data_7112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7112 _Entry.Title ; 1H, 13C, and 15N NMR Assignment of the Master-Rep Protein Nuclease Domain (2-95) from the Faba Bean Necrotic Yellows Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-17 _Entry.Accession_date 2006-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Susana Vega-Rocha . . . 7112 2 Ramon Campos-Olivas . . . 7112 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CNIO . 7112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7112 coupling_constants 1 7112 heteronucl_NOEs 1 7112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 7112 '15N chemical shifts' 99 7112 '1H chemical shifts' 665 7112 'coupling constants' 70 7112 'heteronuclear NOE values' 59 7112 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-16 2006-05-17 update BMRB 'complete entry citation' 7112 1 . . 2006-11-13 2006-05-17 original author 'original release' 7112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HWT 'BMRB Entry Tracking System' 7112 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7112 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17043745 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N NMR assignment of the master Rep protein nuclease domain from the Nanovirus FBNYV' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 169 _Citation.Page_last 169 _Citation.Year 2007 _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 Susana Vega-Rocha . . . 7112 1 2 A. Gronenborn . M. . 7112 1 3 B. Gronenborn . . . 7112 1 4 R. Campos-Olivas . . . 7112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7112 _Assembly.ID 1 _Assembly.Name FBNYV_M-Rep_(2-95) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 10825.3 _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 FBNYV_M-Rep_(2-95) 1 $FBNYV_M-Rep_(2-95) . . no native no no . . . 7112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBNYV_M-Rep_(2-95) _Entity.Sf_category entity _Entity.Sf_framecode FBNYV_M-Rep_(2-95) _Entity.Entry_ID 7112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FBNYV_M-Rep_(2-95) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARQVICWCFTLNNPLSPLSL HDSMKYLVYQTEQGEAGNIH FQGYIEMKKRTSLAGMKKLI PGAHFEKRRGTQGEARAYSM KEDTRLEGPWEYGE ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10825.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7218 . FBNYV_M-Rep_(1-117) . . . . . 100.00 138 100.00 100.00 9.67e-64 . . . . 7112 1 2 no PDB 2HWT . "Nmr Solution Structure Of The Master-Rep Protein Nuclease Domain (2-95) From The Faba Bean Necrotic Yellows Virus" . . . . . 100.00 94 100.00 100.00 5.79e-64 . . . . 7112 1 3 no EMBL CAA72209 . "putative replicase-associated protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 100.00 100.00 4.00e-62 . . . . 7112 1 4 no EMBL CAB44020 . "Rep protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 97.87 4.74e-60 . . . . 7112 1 5 no GB ACX50503 . "M-Rep protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 100.00 2.35e-61 . . . . 7112 1 6 no GB AHC72237 . "master replication initiator protein (M-Rep) [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 100.00 2.09e-61 . . . . 7112 1 7 no GB AHC72255 . "master replication initiator protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 100.00 2.30e-61 . . . . 7112 1 8 no GB AHC72263 . "master replication initiator protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 100.00 2.30e-61 . . . . 7112 1 9 no REF NP_619567 . "Rep protein [Faba bean necrotic yellows virus]" . . . . . 100.00 286 97.87 97.87 4.74e-60 . . . . 7112 1 10 no SP O39828 . "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" . . . . . 100.00 286 100.00 100.00 4.00e-62 . . . . 7112 1 11 no SP Q9WIJ5 . "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" . . . . . 100.00 286 97.87 97.87 4.74e-60 . . . . 7112 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Genome replication specificity determinant' 7112 1 'Initiation of nanovirus replication (nuclease)' 7112 1 'Termination of replication (ligase)' 7112 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FBNYV M-Rep (2-95)' . 7112 1 'NTD M-Rep FBNYV' . 7112 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'M-Rep(2-95) of Faba Bean Necrotic Yellows Virus' 'NCBI taxonomy' 7112 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'M-Rep(2-95) of FBNYV' 7112 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 2 ALA . 7112 1 2 3 ARG . 7112 1 3 4 GLN . 7112 1 4 5 VAL . 7112 1 5 6 ILE . 7112 1 6 7 CYS . 7112 1 7 8 TRP . 7112 1 8 9 CYS . 7112 1 9 10 PHE . 7112 1 10 11 THR . 7112 1 11 12 LEU . 7112 1 12 13 ASN . 7112 1 13 14 ASN . 7112 1 14 15 PRO . 7112 1 15 16 LEU . 7112 1 16 17 SER . 7112 1 17 18 PRO . 7112 1 18 19 LEU . 7112 1 19 20 SER . 7112 1 20 21 LEU . 7112 1 21 22 HIS . 7112 1 22 23 ASP . 7112 1 23 24 SER . 7112 1 24 25 MET . 7112 1 25 26 LYS . 7112 1 26 27 TYR . 7112 1 27 28 LEU . 7112 1 28 29 VAL . 7112 1 29 30 TYR . 7112 1 30 31 GLN . 7112 1 31 32 THR . 7112 1 32 33 GLU . 7112 1 33 34 GLN . 7112 1 34 35 GLY . 7112 1 35 36 GLU . 7112 1 36 37 ALA . 7112 1 37 38 GLY . 7112 1 38 39 ASN . 7112 1 39 40 ILE . 7112 1 40 41 HIS . 7112 1 41 42 PHE . 7112 1 42 43 GLN . 7112 1 43 44 GLY . 7112 1 44 45 TYR . 7112 1 45 46 ILE . 7112 1 46 47 GLU . 7112 1 47 48 MET . 7112 1 48 49 LYS . 7112 1 49 50 LYS . 7112 1 50 51 ARG . 7112 1 51 52 THR . 7112 1 52 53 SER . 7112 1 53 54 LEU . 7112 1 54 55 ALA . 7112 1 55 56 GLY . 7112 1 56 57 MET . 7112 1 57 58 LYS . 7112 1 58 59 LYS . 7112 1 59 60 LEU . 7112 1 60 61 ILE . 7112 1 61 62 PRO . 7112 1 62 63 GLY . 7112 1 63 64 ALA . 7112 1 64 65 HIS . 7112 1 65 66 PHE . 7112 1 66 67 GLU . 7112 1 67 68 LYS . 7112 1 68 69 ARG . 7112 1 69 70 ARG . 7112 1 70 71 GLY . 7112 1 71 72 THR . 7112 1 72 73 GLN . 7112 1 73 74 GLY . 7112 1 74 75 GLU . 7112 1 75 76 ALA . 7112 1 76 77 ARG . 7112 1 77 78 ALA . 7112 1 78 79 TYR . 7112 1 79 80 SER . 7112 1 80 81 MET . 7112 1 81 82 LYS . 7112 1 82 83 GLU . 7112 1 83 84 ASP . 7112 1 84 85 THR . 7112 1 85 86 ARG . 7112 1 86 87 LEU . 7112 1 87 88 GLU . 7112 1 88 89 GLY . 7112 1 89 90 PRO . 7112 1 90 91 TRP . 7112 1 91 92 GLU . 7112 1 92 93 TYR . 7112 1 93 94 GLY . 7112 1 94 95 GLU . 7112 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 . ALA 1 1 7112 1 . ARG 2 2 7112 1 . GLN 3 3 7112 1 . VAL 4 4 7112 1 . ILE 5 5 7112 1 . CYS 6 6 7112 1 . TRP 7 7 7112 1 . CYS 8 8 7112 1 . PHE 9 9 7112 1 . THR 10 10 7112 1 . LEU 11 11 7112 1 . ASN 12 12 7112 1 . ASN 13 13 7112 1 . PRO 14 14 7112 1 . LEU 15 15 7112 1 . SER 16 16 7112 1 . PRO 17 17 7112 1 . LEU 18 18 7112 1 . SER 19 19 7112 1 . LEU 20 20 7112 1 . HIS 21 21 7112 1 . ASP 22 22 7112 1 . SER 23 23 7112 1 . MET 24 24 7112 1 . LYS 25 25 7112 1 . TYR 26 26 7112 1 . LEU 27 27 7112 1 . VAL 28 28 7112 1 . TYR 29 29 7112 1 . GLN 30 30 7112 1 . THR 31 31 7112 1 . GLU 32 32 7112 1 . GLN 33 33 7112 1 . GLY 34 34 7112 1 . GLU 35 35 7112 1 . ALA 36 36 7112 1 . GLY 37 37 7112 1 . ASN 38 38 7112 1 . ILE 39 39 7112 1 . HIS 40 40 7112 1 . PHE 41 41 7112 1 . GLN 42 42 7112 1 . GLY 43 43 7112 1 . TYR 44 44 7112 1 . ILE 45 45 7112 1 . GLU 46 46 7112 1 . MET 47 47 7112 1 . LYS 48 48 7112 1 . LYS 49 49 7112 1 . ARG 50 50 7112 1 . THR 51 51 7112 1 . SER 52 52 7112 1 . LEU 53 53 7112 1 . ALA 54 54 7112 1 . GLY 55 55 7112 1 . MET 56 56 7112 1 . LYS 57 57 7112 1 . LYS 58 58 7112 1 . LEU 59 59 7112 1 . ILE 60 60 7112 1 . PRO 61 61 7112 1 . GLY 62 62 7112 1 . ALA 63 63 7112 1 . HIS 64 64 7112 1 . PHE 65 65 7112 1 . GLU 66 66 7112 1 . LYS 67 67 7112 1 . ARG 68 68 7112 1 . ARG 69 69 7112 1 . GLY 70 70 7112 1 . THR 71 71 7112 1 . GLN 72 72 7112 1 . GLY 73 73 7112 1 . GLU 74 74 7112 1 . ALA 75 75 7112 1 . ARG 76 76 7112 1 . ALA 77 77 7112 1 . TYR 78 78 7112 1 . SER 79 79 7112 1 . MET 80 80 7112 1 . LYS 81 81 7112 1 . GLU 82 82 7112 1 . ASP 83 83 7112 1 . THR 84 84 7112 1 . ARG 85 85 7112 1 . LEU 86 86 7112 1 . GLU 87 87 7112 1 . GLY 88 88 7112 1 . PRO 89 89 7112 1 . TRP 90 90 7112 1 . GLU 91 91 7112 1 . TYR 92 92 7112 1 . GLY 93 93 7112 1 . GLU 94 94 7112 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 7112 _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 $FBNYV_M-Rep_(2-95) . 59817 . no . 'Faba Bean Necrotic Yellows Virus' . . Viruses . Nanovirus 'Faba Bean Necrotic Yellows Virus' . . . . . . . . . . . . . . . . . . . . . 7112 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 7112 _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 $FBNYV_M-Rep_(2-95) . 'recombinant technology' . E.coli . . . . 'BL21 Rosetta (DE3) plysS' . . . . . . . . . . . . pET . . pET3a . . . . . . 7112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7112 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '(2-95) M-Rep FBNYV' '[U-10% 13C; U-15N]' . . 1 $FBNYV_M-Rep_(2-95) . . 0.5 . . mM . . . . 7112 1 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 7112 1 3 NaCl . . . . . . . 600 . . mM . . . . 7112 1 4 DTT . . . . . . . 1 . . mM . . . . 7112 1 5 D2O . . . . . . . 8 . . % . . . . 7112 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7112 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '(2-95) M-Rep FBNYV' '[U-13C; U-15N]' . . 1 $FBNYV_M-Rep_(2-95) . . 0.5 . . mM . . . . 7112 2 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 7112 2 3 NaCl . . . . . . . 600 . . mM . . . . 7112 2 4 DTT . . . . . . . 1 . . mM . . . . 7112 2 5 D2O . . . . . . . 8 . . % . . . . 7112 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7112 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '2-95 Rep FBNYV' '[U-13C; U-15N]' . . 1 $FBNYV_M-Rep_(2-95) . . 0.5 . . mM . . . . 7112 3 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 7112 3 3 NaCl . . . . . . . 600 . . mM . . . . 7112 3 4 DTT . . . . . . . 1 . . mM . . . . 7112 3 5 D2O . . . . . . . 100 . . % . . . . 7112 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7112 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Sodium phosphate, 0.6 M NaCl, 1 mM DTT' 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' 1.264 0.05 M 7112 1 pH 6.6 0.1 pH 7112 1 temperature 293 0.5 K 7112 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7112 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.20 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7112 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 7112 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7112 _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 1H15N_HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 2 '2D 1H15N_HSQC long range' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 3 '2D 1H13C_HSQC/HMQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 4 '2D HNCOCG arom' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 5 '2D HNCO arom' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 6 '3D HNCO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 7 '3D HNCACB' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 8 '3D CBCA (CO) NH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 9 '3D HNHA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 10 '3D HNHB' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 11 '3D 15N edited TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 12 '3D 15N edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 13 '3D HCACO' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 14 '3D CC (CO) NH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 15 'HCCH TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 16 '4D 15N, 13C NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 17 '4D 13C, 13C NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7112 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7112 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 7112 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7112 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7112 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 1H15N_HSQC' 1 $sample_1 isotropic 7112 1 2 '2D 1H15N_HSQC long range' 1 $sample_1 isotropic 7112 1 3 '2D 1H13C_HSQC/HMQC' 3 $sample_3 isotropic 7112 1 4 '2D HNCOCG arom' 2 $sample_2 isotropic 7112 1 5 '2D HNCO arom' 2 $sample_2 isotropic 7112 1 6 '3D HNCO' 2 $sample_2 isotropic 7112 1 7 '3D HNCACB' 2 $sample_2 isotropic 7112 1 8 '3D CBCA (CO) NH' 2 $sample_2 isotropic 7112 1 9 '3D HNHA' 2 $sample_2 isotropic 7112 1 10 '3D HNHB' 1 $sample_1 isotropic 7112 1 11 '3D 15N edited TOCSY' 1 $sample_1 isotropic 7112 1 12 '3D 15N edited NOESY' 1 $sample_1 isotropic 7112 1 13 '3D HCACO' 2 $sample_2 isotropic 7112 1 14 '3D CC (CO) NH' 1 $sample_1 isotropic 7112 1 15 'HCCH TOCSY' 2 $sample_2 isotropic 7112 1 16 '4D 15N, 13C NOESY' 3 $sample_3 isotropic 7112 1 17 '4D 13C, 13C NOESY' 2 $sample_2 isotropic 7112 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 1 $software_1 . . 7112 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.172 0.05 . 1 . . . . 2 ALA HA . 7112 1 2 . 1 1 1 1 ALA HB1 H 1 1.583 0.05 . 2 . . . . 2 ALA HB . 7112 1 3 . 1 1 1 1 ALA HB2 H 1 1.583 0.05 . 2 . . . . 2 ALA HB . 7112 1 4 . 1 1 1 1 ALA HB3 H 1 1.583 0.05 . 2 . . . . 2 ALA HB . 7112 1 5 . 1 1 1 1 ALA C C 13 174.297 0.1 . 1 . . . . 2 ALA C . 7112 1 6 . 1 1 1 1 ALA CA C 13 51.876 0.1 . 1 . . . . 2 ALA CA . 7112 1 7 . 1 1 1 1 ALA CB C 13 20.136 0.1 . 1 . . . . 2 ALA CB . 7112 1 8 . 1 1 2 2 ARG HA H 1 4.364 0.05 . 1 . . . . 3 ARG HA . 7112 1 9 . 1 1 2 2 ARG HB2 H 1 1.871 0.05 . 2 . . . . 3 ARG HB . 7112 1 10 . 1 1 2 2 ARG HB3 H 1 1.871 0.05 . 2 . . . . 3 ARG HB . 7112 1 11 . 1 1 2 2 ARG HG2 H 1 1.748 0.05 . 2 . . . . 3 ARG HG . 7112 1 12 . 1 1 2 2 ARG HG3 H 1 1.748 0.05 . 2 . . . . 3 ARG HG . 7112 1 13 . 1 1 2 2 ARG HD2 H 1 3.315 0.05 . 2 . . . . 3 ARG HD . 7112 1 14 . 1 1 2 2 ARG HD3 H 1 3.315 0.05 . 2 . . . . 3 ARG HD . 7112 1 15 . 1 1 2 2 ARG C C 13 176.054 0.1 . 1 . . . . 3 ARG C . 7112 1 16 . 1 1 2 2 ARG CA C 13 56.727 0.1 . 1 . . . . 3 ARG CA . 7112 1 17 . 1 1 2 2 ARG CB C 13 31.382 0.1 . 1 . . . . 3 ARG CB . 7112 1 18 . 1 1 2 2 ARG CG C 13 27.564 0.1 . 1 . . . . 3 ARG CG . 7112 1 19 . 1 1 2 2 ARG CD C 13 43.534 0.1 . 1 . . . . 3 ARG CD . 7112 1 20 . 1 1 3 3 GLN H H 1 8.447 0.05 . 1 . . . . 4 GLN H . 7112 1 21 . 1 1 3 3 GLN HA H 1 4.490 0.05 . 1 . . . . 4 GLN HA . 7112 1 22 . 1 1 3 3 GLN HB2 H 1 1.948 0.05 . 2 . . . . 4 GLN HB2 . 7112 1 23 . 1 1 3 3 GLN HB3 H 1 1.765 0.05 . 2 . . . . 4 GLN HB3 . 7112 1 24 . 1 1 3 3 GLN HG2 H 1 2.375 0.05 . 2 . . . . 4 GLN HG1 . 7112 1 25 . 1 1 3 3 GLN HG3 H 1 2.230 0.05 . 2 . . . . 4 GLN HG2 . 7112 1 26 . 1 1 3 3 GLN HE21 H 1 7.511 0.05 . 2 . . . . 4 GLN HE21 . 7112 1 27 . 1 1 3 3 GLN HE22 H 1 6.955 0.05 . 2 . . . . 4 GLN HE22 . 7112 1 28 . 1 1 3 3 GLN C C 13 174.751 0.1 . 1 . . . . 4 GLN C . 7112 1 29 . 1 1 3 3 GLN CA C 13 55.294 0.1 . 1 . . . . 4 GLN CA . 7112 1 30 . 1 1 3 3 GLN CB C 13 30.020 0.1 . 1 . . . . 4 GLN CB . 7112 1 31 . 1 1 3 3 GLN CG C 13 34.144 0.1 . 1 . . . . 4 GLN CG . 7112 1 32 . 1 1 3 3 GLN N N 15 121.003 0.05 . 1 . . . . 4 GLN N . 7112 1 33 . 1 1 3 3 GLN NE2 N 15 112.359 0.05 . 1 . . . . 4 GLN NE2 . 7112 1 34 . 1 1 4 4 VAL H H 1 8.451 0.05 . 1 . . . . 5 VAL H . 7112 1 35 . 1 1 4 4 VAL HA H 1 4.670 0.05 . 1 . . . . 5 VAL HA . 7112 1 36 . 1 1 4 4 VAL HB H 1 2.224 0.05 . 1 . . . . 5 VAL HB . 7112 1 37 . 1 1 4 4 VAL HG11 H 1 0.746 0.05 . 2 . . . . 5 VAL HG1 . 7112 1 38 . 1 1 4 4 VAL HG12 H 1 0.746 0.05 . 2 . . . . 5 VAL HG1 . 7112 1 39 . 1 1 4 4 VAL HG13 H 1 0.746 0.05 . 2 . . . . 5 VAL HG1 . 7112 1 40 . 1 1 4 4 VAL HG21 H 1 0.451 0.05 . 2 . . . . 5 VAL HG2 . 7112 1 41 . 1 1 4 4 VAL HG22 H 1 0.451 0.05 . 2 . . . . 5 VAL HG2 . 7112 1 42 . 1 1 4 4 VAL HG23 H 1 0.451 0.05 . 2 . . . . 5 VAL HG2 . 7112 1 43 . 1 1 4 4 VAL C C 13 175.955 0.1 . 1 . . . . 5 VAL C . 7112 1 44 . 1 1 4 4 VAL CA C 13 60.545 0.1 . 1 . . . . 5 VAL CA . 7112 1 45 . 1 1 4 4 VAL CB C 13 35.462 0.1 . 1 . . . . 5 VAL CB . 7112 1 46 . 1 1 4 4 VAL CG1 C 13 21.821 0.1 . 1 . . . . 5 VAL CG1 . 7112 1 47 . 1 1 4 4 VAL CG2 C 13 19.142 0.1 . 1 . . . . 5 VAL CG2 . 7112 1 48 . 1 1 4 4 VAL N N 15 118.378 0.05 . 1 . . . . 5 VAL N . 7112 1 49 . 1 1 5 5 ILE H H 1 8.539 0.05 . 1 . . . . 6 ILE H . 7112 1 50 . 1 1 5 5 ILE HA H 1 4.363 0.05 . 1 . . . . 6 ILE HA . 7112 1 51 . 1 1 5 5 ILE HB H 1 2.035 0.05 . 1 . . . . 6 ILE HB . 7112 1 52 . 1 1 5 5 ILE HG12 H 1 1.593 0.05 . 9 . . . . 6 ILE HG12 . 7112 1 53 . 1 1 5 5 ILE HG13 H 1 1.220 0.05 . 2 . . . . 6 ILE HG13 . 7112 1 54 . 1 1 5 5 ILE HG21 H 1 0.978 0.05 . 2 . . . . 6 ILE HG2 . 7112 1 55 . 1 1 5 5 ILE HG22 H 1 0.978 0.05 . 2 . . . . 6 ILE HG2 . 7112 1 56 . 1 1 5 5 ILE HG23 H 1 0.978 0.05 . 2 . . . . 6 ILE HG2 . 7112 1 57 . 1 1 5 5 ILE HD11 H 1 0.809 0.05 . 2 . . . . 6 ILE HD1 . 7112 1 58 . 1 1 5 5 ILE HD12 H 1 0.809 0.05 . 2 . . . . 6 ILE HD1 . 7112 1 59 . 1 1 5 5 ILE HD13 H 1 0.809 0.05 . 2 . . . . 6 ILE HD1 . 7112 1 60 . 1 1 5 5 ILE C C 13 175.808 0.1 . 1 . . . . 6 ILE C . 7112 1 61 . 1 1 5 5 ILE CA C 13 61.797 0.1 . 1 . . . . 6 ILE CA . 7112 1 62 . 1 1 5 5 ILE CB C 13 38.782 0.1 . 1 . . . . 6 ILE CB . 7112 1 63 . 1 1 5 5 ILE CG1 C 13 28.045 0.1 . 1 . . . . 6 ILE CG1 . 7112 1 64 . 1 1 5 5 ILE CG2 C 13 18.106 0.1 . 1 . . . . 6 ILE CG2 . 7112 1 65 . 1 1 5 5 ILE CD1 C 13 12.249 0.1 . 1 . . . . 6 ILE CD1 . 7112 1 66 . 1 1 5 5 ILE N N 15 124.082 0.05 . 1 . . . . 6 ILE N . 7112 1 67 . 1 1 6 6 CYS HA H 1 5.430 0.05 . 1 . . . . 7 CYS HA . 7112 1 68 . 1 1 6 6 CYS HB2 H 1 3.067 0.05 . 2 . . . . 7 CYS HB2 . 7112 1 69 . 1 1 6 6 CYS HB3 H 1 2.908 0.05 . 2 . . . . 7 CYS HB3 . 7112 1 70 . 1 1 6 6 CYS C C 13 172.927 0.1 . 1 . . . . 7 CYS C . 7112 1 71 . 1 1 6 6 CYS CA C 13 57.470 0.1 . 1 . . . . 7 CYS CA . 7112 1 72 . 1 1 6 6 CYS CB C 13 30.221 0.1 . 1 . . . . 7 CYS CB . 7112 1 73 . 1 1 7 7 TRP H H 1 9.415 0.05 . 1 . . . . 8 TRP H . 7112 1 74 . 1 1 7 7 TRP HA H 1 5.219 0.05 . 1 . . . . 8 TRP HA . 7112 1 75 . 1 1 7 7 TRP HB2 H 1 3.461 0.05 . 2 . . . . 8 TRP HB2 . 7112 1 76 . 1 1 7 7 TRP HB3 H 1 3.034 0.05 . 2 . . . . 8 TRP HB3 . 7112 1 77 . 1 1 7 7 TRP HD1 H 1 7.017 0.05 . 1 . . . . 8 TRP HD1 . 7112 1 78 . 1 1 7 7 TRP HE1 H 1 8.679 0.05 . 1 . . . . 8 TRP HE1 . 7112 1 79 . 1 1 7 7 TRP HE3 H 1 7.489 0.05 . 1 . . . . 8 TRP HE3 . 7112 1 80 . 1 1 7 7 TRP HZ2 H 1 7.713 0.05 . 4 . . . . 8 TRP HZ2 . 7112 1 81 . 1 1 7 7 TRP HZ3 H 1 6.967 0.05 . 4 . . . . 8 TRP HZ3 . 7112 1 82 . 1 1 7 7 TRP HH2 H 1 7.075 0.05 . 1 . . . . 8 TRP HH2 . 7112 1 83 . 1 1 7 7 TRP C C 13 175.913 0.1 . 1 . . . . 8 TRP C . 7112 1 84 . 1 1 7 7 TRP CA C 13 56.382 0.1 . 1 . . . . 8 TRP CA . 7112 1 85 . 1 1 7 7 TRP CB C 13 33.504 0.1 . 1 . . . . 8 TRP CB . 7112 1 86 . 1 1 7 7 TRP CD1 C 13 127.119 0.1 . 1 . . . . 8 TRP CD1 . 7112 1 87 . 1 1 7 7 TRP CE3 C 13 119.237 0.1 . 1 . . . . 8 TRP CE3 . 7112 1 88 . 1 1 7 7 TRP CZ2 C 13 115.363 0.1 . 1 . . . . 8 TRP CZ2 . 7112 1 89 . 1 1 7 7 TRP CZ3 C 13 121.499 0.1 . 1 . . . . 8 TRP CZ3 . 7112 1 90 . 1 1 7 7 TRP CH2 C 13 123.534 0.1 . 1 . . . . 8 TRP CH2 . 7112 1 91 . 1 1 7 7 TRP N N 15 123.646 0.05 . 1 . . . . 8 TRP N . 7112 1 92 . 1 1 7 7 TRP NE1 N 15 136.856 0.05 . 1 . . . . 8 TRP NE1 . 7112 1 93 . 1 1 8 8 CYS H H 1 9.647 0.05 . 1 . . . . 9 CYS H . 7112 1 94 . 1 1 8 8 CYS HA H 1 5.591 0.05 . 1 . . . . 9 CYS HA . 7112 1 95 . 1 1 8 8 CYS HB2 H 1 3.301 0.05 . 2 . . . . 9 CYS HB2 . 7112 1 96 . 1 1 8 8 CYS HB3 H 1 3.070 0.05 . 2 . . . . 9 CYS HB3 . 7112 1 97 . 1 1 8 8 CYS C C 13 174.368 0.1 . 1 . . . . 9 CYS C . 7112 1 98 . 1 1 8 8 CYS CA C 13 58.166 0.1 . 1 . . . . 9 CYS CA . 7112 1 99 . 1 1 8 8 CYS CB C 13 29.808 0.1 . 1 . . . . 9 CYS CB . 7112 1 100 . 1 1 8 8 CYS N N 15 121.731 0.05 . 1 . . . . 9 CYS N . 7112 1 101 . 1 1 9 9 PHE H H 1 8.783 0.05 . 1 . . . . 10 PHE H . 7112 1 102 . 1 1 9 9 PHE HA H 1 6.040 0.05 . 1 . . . . 10 PHE HA . 7112 1 103 . 1 1 9 9 PHE HB2 H 1 2.640 0.05 . 2 . . . . 10 PHE HB2 . 7112 1 104 . 1 1 9 9 PHE HB3 H 1 2.169 0.05 . 2 . . . . 10 PHE HB3 . 7112 1 105 . 1 1 9 9 PHE HD1 H 1 6.706 0.05 . 3 . . . . 10 PHE HD . 7112 1 106 . 1 1 9 9 PHE HD2 H 1 6.706 0.05 . 3 . . . . 10 PHE HD . 7112 1 107 . 1 1 9 9 PHE HE1 H 1 6.947 0.05 . 3 . . . . 10 PHE HE . 7112 1 108 . 1 1 9 9 PHE HE2 H 1 6.947 0.05 . 3 . . . . 10 PHE HE . 7112 1 109 . 1 1 9 9 PHE HZ H 1 6.611 0.05 . 1 . . . . 10 PHE HZ . 7112 1 110 . 1 1 9 9 PHE C C 13 172.684 0.1 . 1 . . . . 10 PHE C . 7112 1 111 . 1 1 9 9 PHE CA C 13 56.144 0.1 . 1 . . . . 10 PHE CA . 7112 1 112 . 1 1 9 9 PHE CB C 13 44.567 0.1 . 1 . . . . 10 PHE CB . 7112 1 113 . 1 1 9 9 PHE CD1 C 13 129.536 0.1 . 1 . . . . 10 PHE CD1 . 7112 1 114 . 1 1 9 9 PHE CE1 C 13 129.780 0.1 . 1 . . . . 10 PHE CE1 . 7112 1 115 . 1 1 9 9 PHE CZ C 13 128.956 0.1 . 1 . . . . 10 PHE CZ . 7112 1 116 . 1 1 9 9 PHE N N 15 120.499 0.05 . 1 . . . . 10 PHE N . 7112 1 117 . 1 1 10 10 THR H H 1 8.278 0.05 . 1 . . . . 11 THR H . 7112 1 118 . 1 1 10 10 THR HA H 1 5.110 0.05 . 1 . . . . 11 THR HA . 7112 1 119 . 1 1 10 10 THR HB H 1 3.838 0.05 . 1 . . . . 11 THR HB . 7112 1 120 . 1 1 10 10 THR HG21 H 1 1.076 0.05 . 2 . . . . 11 THR HG2 . 7112 1 121 . 1 1 10 10 THR HG22 H 1 1.076 0.05 . 2 . . . . 11 THR HG2 . 7112 1 122 . 1 1 10 10 THR HG23 H 1 1.076 0.05 . 2 . . . . 11 THR HG2 . 7112 1 123 . 1 1 10 10 THR C C 13 173.897 0.1 . 1 . . . . 11 THR C . 7112 1 124 . 1 1 10 10 THR CA C 13 60.771 0.1 . 1 . . . . 11 THR CA . 7112 1 125 . 1 1 10 10 THR CB C 13 72.454 0.1 . 1 . . . . 11 THR CB . 7112 1 126 . 1 1 10 10 THR CG2 C 13 21.775 0.1 . 1 . . . . 11 THR CG2 . 7112 1 127 . 1 1 10 10 THR N N 15 113.087 0.05 . 1 . . . . 11 THR N . 7112 1 128 . 1 1 11 11 LEU H H 1 9.164 0.05 . 1 . . . . 12 LEU H . 7112 1 129 . 1 1 11 11 LEU HA H 1 4.923 0.05 . 1 . . . . 12 LEU HA . 7112 1 130 . 1 1 11 11 LEU HB2 H 1 2.055 0.05 . 2 . . . . 12 LEU HB2 . 7112 1 131 . 1 1 11 11 LEU HB3 H 1 1.257 0.05 . 2 . . . . 12 LEU HB3 . 7112 1 132 . 1 1 11 11 LEU HG H 1 1.261 0.05 . 1 . . . . 12 LEU HG . 7112 1 133 . 1 1 11 11 LEU HD11 H 1 0.862 0.05 . 2 . . . . 12 LEU HD1 . 7112 1 134 . 1 1 11 11 LEU HD12 H 1 0.862 0.05 . 2 . . . . 12 LEU HD1 . 7112 1 135 . 1 1 11 11 LEU HD13 H 1 0.862 0.05 . 2 . . . . 12 LEU HD1 . 7112 1 136 . 1 1 11 11 LEU HD21 H 1 0.943 0.05 . 2 . . . . 12 LEU HD2 . 7112 1 137 . 1 1 11 11 LEU HD22 H 1 0.943 0.05 . 2 . . . . 12 LEU HD2 . 7112 1 138 . 1 1 11 11 LEU HD23 H 1 0.943 0.05 . 2 . . . . 12 LEU HD2 . 7112 1 139 . 1 1 11 11 LEU C C 13 174.563 0.1 . 1 . . . . 12 LEU C . 7112 1 140 . 1 1 11 11 LEU CA C 13 53.666 0.1 . 1 . . . . 12 LEU CA . 7112 1 141 . 1 1 11 11 LEU CB C 13 46.289 0.1 . 1 . . . . 12 LEU CB . 7112 1 142 . 1 1 11 11 LEU CG C 13 27.649 0.1 . 1 . . . . 12 LEU CG . 7112 1 143 . 1 1 11 11 LEU CD1 C 13 22.628 0.1 . 2 . . . . 12 LEU CD1 . 7112 1 144 . 1 1 11 11 LEU CD2 C 13 26.278 0.1 . 2 . . . . 12 LEU CD2 . 7112 1 145 . 1 1 11 11 LEU N N 15 126.180 0.05 . 1 . . . . 12 LEU N . 7112 1 146 . 1 1 12 12 ASN H H 1 9.240 0.05 . 1 . . . . 13 ASN H . 7112 1 147 . 1 1 12 12 ASN HA H 1 4.857 0.05 . 1 . . . . 13 ASN HA . 7112 1 148 . 1 1 12 12 ASN HB2 H 1 2.769 0.05 . 1 . . . . 13 ASN HB . 7112 1 149 . 1 1 12 12 ASN HB3 H 1 2.769 0.05 . 1 . . . . 13 ASN HB . 7112 1 150 . 1 1 12 12 ASN HD21 H 1 7.623 0.05 . 2 . . . . 13 ASN HD21 . 7112 1 151 . 1 1 12 12 ASN HD22 H 1 6.832 0.05 . 2 . . . . 13 ASN HD22 . 7112 1 152 . 1 1 12 12 ASN C C 13 173.997 0.1 . 1 . . . . 13 ASN C . 7112 1 153 . 1 1 12 12 ASN CA C 13 53.905 0.1 . 1 . . . . 13 ASN CA . 7112 1 154 . 1 1 12 12 ASN CB C 13 39.714 0.1 . 1 . . . . 13 ASN CB . 7112 1 155 . 1 1 12 12 ASN N N 15 127.598 0.05 . 1 . . . . 13 ASN N . 7112 1 156 . 1 1 12 12 ASN ND2 N 15 112.304 0.05 . 1 . . . . 13 ASN ND2 . 7112 1 157 . 1 1 13 13 ASN H H 1 9.069 0.05 . 1 . . . . 14 ASN H . 7112 1 158 . 1 1 13 13 ASN HA H 1 4.415 0.05 . 1 . . . . 14 ASN HA . 7112 1 159 . 1 1 13 13 ASN HB2 H 1 2.857 0.05 . 2 . . . . 14 ASN HB2 . 7112 1 160 . 1 1 13 13 ASN HB3 H 1 2.726 0.05 . 2 . . . . 14 ASN HB3 . 7112 1 161 . 1 1 13 13 ASN HD21 H 1 7.687 0.05 . 2 . . . . 14 ASN HD21 . 7112 1 162 . 1 1 13 13 ASN HD22 H 1 7.138 0.05 . 2 . . . . 14 ASN HD22 . 7112 1 163 . 1 1 13 13 ASN C C 13 171.197 0.1 . 1 . . . . 14 ASN C . 7112 1 164 . 1 1 13 13 ASN CA C 13 53.810 0.1 . 1 . . . . 14 ASN CA . 7112 1 165 . 1 1 13 13 ASN CB C 13 38.438 0.1 . 1 . . . . 14 ASN CB . 7112 1 166 . 1 1 13 13 ASN N N 15 117.034 0.05 . 1 . . . . 14 ASN N . 7112 1 167 . 1 1 13 13 ASN ND2 N 15 114.378 0.05 . 1 . . . . 14 ASN ND2 . 7112 1 168 . 1 1 14 14 PRO HA H 1 4.083 0.05 . 1 . . . . 15 PRO HA . 7112 1 169 . 1 1 14 14 PRO HB2 H 1 1.294 0.05 . 2 . . . . 15 PRO HB2 . 7112 1 170 . 1 1 14 14 PRO HB3 H 1 1.262 0.05 . 2 . . . . 15 PRO HB3 . 7112 1 171 . 1 1 14 14 PRO HG2 H 1 0.286 0.05 . 2 . . . . 15 PRO HG2 . 7112 1 172 . 1 1 14 14 PRO HG3 H 1 1.026 0.05 . 2 . . . . 15 PRO HG3 . 7112 1 173 . 1 1 14 14 PRO HD2 H 1 3.258 0.05 . 2 . . . . 15 PRO HD2 . 7112 1 174 . 1 1 14 14 PRO HD3 H 1 3.461 0.05 . 2 . . . . 15 PRO HD3 . 7112 1 175 . 1 1 14 14 PRO C C 13 178.085 0.1 . 1 . . . . 15 PRO C . 7112 1 176 . 1 1 14 14 PRO CA C 13 62.506 0.1 . 1 . . . . 15 PRO CA . 7112 1 177 . 1 1 14 14 PRO CB C 13 33.584 0.1 . 1 . . . . 15 PRO CB . 7112 1 178 . 1 1 14 14 PRO CG C 13 26.303 0.1 . 1 . . . . 15 PRO CG . 7112 1 179 . 1 1 14 14 PRO CD C 13 50.273 0.1 . 1 . . . . 15 PRO CD . 7112 1 180 . 1 1 15 15 LEU H H 1 8.888 0.05 . 1 . . . . 16 LEU H . 7112 1 181 . 1 1 15 15 LEU HA H 1 4.389 0.05 . 1 . . . . 16 LEU HA . 7112 1 182 . 1 1 15 15 LEU HB2 H 1 1.709 0.05 . 2 . . . . 16 LEU HB2 . 7112 1 183 . 1 1 15 15 LEU HB3 H 1 1.642 0.05 . 2 . . . . 16 LEU HB3 . 7112 1 184 . 1 1 15 15 LEU HG H 1 1.710 0.05 . 1 . . . . 16 LEU HG . 7112 1 185 . 1 1 15 15 LEU HD11 H 1 0.953 0.05 . 2 . . . . 16 LEU HD1 . 7112 1 186 . 1 1 15 15 LEU HD12 H 1 0.953 0.05 . 2 . . . . 16 LEU HD1 . 7112 1 187 . 1 1 15 15 LEU HD13 H 1 0.953 0.05 . 2 . . . . 16 LEU HD1 . 7112 1 188 . 1 1 15 15 LEU HD21 H 1 0.856 0.05 . 2 . . . . 16 LEU HD2 . 7112 1 189 . 1 1 15 15 LEU HD22 H 1 0.856 0.05 . 2 . . . . 16 LEU HD2 . 7112 1 190 . 1 1 15 15 LEU HD23 H 1 0.856 0.05 . 2 . . . . 16 LEU HD2 . 7112 1 191 . 1 1 15 15 LEU C C 13 177.063 0.1 . 1 . . . . 16 LEU C . 7112 1 192 . 1 1 15 15 LEU CA C 13 55.167 0.1 . 1 . . . . 16 LEU CA . 7112 1 193 . 1 1 15 15 LEU CB C 13 43.510 0.1 . 1 . . . . 16 LEU CB . 7112 1 194 . 1 1 15 15 LEU CG C 13 26.974 0.1 . 1 . . . . 16 LEU CG . 7112 1 195 . 1 1 15 15 LEU CD1 C 13 25.216 0.1 . 2 . . . . 16 LEU CD1 . 7112 1 196 . 1 1 15 15 LEU CD2 C 13 23.036 0.1 . 2 . . . . 16 LEU CD2 . 7112 1 197 . 1 1 15 15 LEU N N 15 120.992 0.05 . 1 . . . . 16 LEU N . 7112 1 198 . 1 1 16 16 SER H H 1 7.403 0.05 . 1 . . . . 17 SER H . 7112 1 199 . 1 1 16 16 SER HA H 1 4.958 0.05 . 1 . . . . 17 SER HA . 7112 1 200 . 1 1 16 16 SER HB2 H 1 3.852 0.05 . 2 . . . . 17 SER HB2 . 7112 1 201 . 1 1 16 16 SER HB3 H 1 3.768 0.05 . 2 . . . . 17 SER HB3 . 7112 1 202 . 1 1 16 16 SER C C 13 171.398 0.1 . 1 . . . . 17 SER C . 7112 1 203 . 1 1 16 16 SER CA C 13 56.234 0.1 . 1 . . . . 17 SER CA . 7112 1 204 . 1 1 16 16 SER CB C 13 64.467 0.1 . 1 . . . . 17 SER CB . 7112 1 205 . 1 1 16 16 SER N N 15 112.950 0.05 . 1 . . . . 17 SER N . 7112 1 206 . 1 1 17 17 PRO HA H 1 4.383 0.05 . 1 . . . . 18 PRO HA . 7112 1 207 . 1 1 17 17 PRO HB2 H 1 2.089 0.05 . 2 . . . . 18 PRO HB2 . 7112 1 208 . 1 1 17 17 PRO HB3 H 1 1.658 0.05 . 2 . . . . 18 PRO HB3 . 7112 1 209 . 1 1 17 17 PRO HG2 H 1 1.843 0.05 . 2 . . . . 18 PRO HG2 . 7112 1 210 . 1 1 17 17 PRO HG3 H 1 1.920 0.05 . 2 . . . . 18 PRO HG3 . 7112 1 211 . 1 1 17 17 PRO HD2 H 1 3.622 0.05 . 2 . . . . 18 PRO HD2 . 7112 1 212 . 1 1 17 17 PRO HD3 H 1 3.812 0.05 . 2 . . . . 18 PRO HD3 . 7112 1 213 . 1 1 17 17 PRO C C 13 176.256 0.1 . 1 . . . . 18 PRO C . 7112 1 214 . 1 1 17 17 PRO CA C 13 62.893 0.1 . 1 . . . . 18 PRO CA . 7112 1 215 . 1 1 17 17 PRO CB C 13 32.493 0.1 . 1 . . . . 18 PRO CB . 7112 1 216 . 1 1 17 17 PRO CG C 13 27.447 0.1 . 1 . . . . 18 PRO CG . 7112 1 217 . 1 1 17 17 PRO CD C 13 50.862 0.1 . 1 . . . . 18 PRO CD . 7112 1 218 . 1 1 18 18 LEU H H 1 6.903 0.05 . 1 . . . . 19 LEU H . 7112 1 219 . 1 1 18 18 LEU HA H 1 4.422 0.05 . 1 . . . . 19 LEU HA . 7112 1 220 . 1 1 18 18 LEU HB2 H 1 1.032 0.05 . 2 . . . . 19 LEU HB . 7112 1 221 . 1 1 18 18 LEU HB3 H 1 1.032 0.05 . 2 . . . . 19 LEU HB . 7112 1 222 . 1 1 18 18 LEU HG H 1 1.202 0.05 . 1 . . . . 19 LEU HG . 7112 1 223 . 1 1 18 18 LEU HD11 H 1 0.162 0.05 . 2 . . . . 19 LEU HD1 . 7112 1 224 . 1 1 18 18 LEU HD12 H 1 0.162 0.05 . 2 . . . . 19 LEU HD1 . 7112 1 225 . 1 1 18 18 LEU HD13 H 1 0.162 0.05 . 2 . . . . 19 LEU HD1 . 7112 1 226 . 1 1 18 18 LEU HD21 H 1 0.681 0.05 . 2 . . . . 19 LEU HD2 . 7112 1 227 . 1 1 18 18 LEU HD22 H 1 0.681 0.05 . 2 . . . . 19 LEU HD2 . 7112 1 228 . 1 1 18 18 LEU HD23 H 1 0.681 0.05 . 2 . . . . 19 LEU HD2 . 7112 1 229 . 1 1 18 18 LEU C C 13 175.839 0.1 . 1 . . . . 19 LEU C . 7112 1 230 . 1 1 18 18 LEU CA C 13 53.337 0.1 . 1 . . . . 19 LEU CA . 7112 1 231 . 1 1 18 18 LEU CB C 13 43.130 0.1 . 1 . . . . 19 LEU CB . 7112 1 232 . 1 1 18 18 LEU CG C 13 26.668 0.1 . 1 . . . . 19 LEU CG . 7112 1 233 . 1 1 18 18 LEU CD1 C 13 26.439 0.1 . 2 . . . . 19 LEU CD1 . 7112 1 234 . 1 1 18 18 LEU CD2 C 13 22.851 0.1 . 2 . . . . 19 LEU CD2 . 7112 1 235 . 1 1 18 18 LEU N N 15 119.628 0.05 . 1 . . . . 19 LEU N . 7112 1 236 . 1 1 19 19 SER H H 1 7.837 0.05 . 1 . . . . 20 SER H . 7112 1 237 . 1 1 19 19 SER HA H 1 4.115 0.05 . 1 . . . . 20 SER HA . 7112 1 238 . 1 1 19 19 SER HB2 H 1 3.547 0.05 . 2 . . . . 20 SER HB2 . 7112 1 239 . 1 1 19 19 SER HB3 H 1 3.501 0.05 . 2 . . . . 20 SER HB3 . 7112 1 240 . 1 1 19 19 SER C C 13 172.160 0.1 . 1 . . . . 20 SER C . 7112 1 241 . 1 1 19 19 SER CA C 13 56.214 0.1 . 1 . . . . 20 SER CA . 7112 1 242 . 1 1 19 19 SER CB C 13 65.386 0.1 . 1 . . . . 20 SER CB . 7112 1 243 . 1 1 19 19 SER N N 15 114.009 0.05 . 1 . . . . 20 SER N . 7112 1 244 . 1 1 20 20 LEU H H 1 7.926 0.05 . 1 . . . . 21 LEU H . 7112 1 245 . 1 1 20 20 LEU HA H 1 4.122 0.05 . 1 . . . . 21 LEU HA . 7112 1 246 . 1 1 20 20 LEU HB2 H 1 1.837 0.05 . 2 . . . . 21 LEU HB2 . 7112 1 247 . 1 1 20 20 LEU HB3 H 1 1.029 0.05 . 2 . . . . 21 LEU HB3 . 7112 1 248 . 1 1 20 20 LEU HG H 1 1.518 0.05 . 1 . . . . 21 LEU HG . 7112 1 249 . 1 1 20 20 LEU HD11 H 1 0.748 0.05 . 2 . . . . 21 LEU HD1 . 7112 1 250 . 1 1 20 20 LEU HD12 H 1 0.748 0.05 . 2 . . . . 21 LEU HD1 . 7112 1 251 . 1 1 20 20 LEU HD13 H 1 0.748 0.05 . 2 . . . . 21 LEU HD1 . 7112 1 252 . 1 1 20 20 LEU HD21 H 1 0.894 0.05 . 2 . . . . 21 LEU HD2 . 7112 1 253 . 1 1 20 20 LEU HD22 H 1 0.894 0.05 . 2 . . . . 21 LEU HD2 . 7112 1 254 . 1 1 20 20 LEU HD23 H 1 0.894 0.05 . 2 . . . . 21 LEU HD2 . 7112 1 255 . 1 1 20 20 LEU C C 13 175.934 0.1 . 1 . . . . 21 LEU C . 7112 1 256 . 1 1 20 20 LEU CA C 13 54.907 0.1 . 1 . . . . 21 LEU CA . 7112 1 257 . 1 1 20 20 LEU CB C 13 42.220 0.1 . 1 . . . . 21 LEU CB . 7112 1 258 . 1 1 20 20 LEU CG C 13 25.811 0.1 . 1 . . . . 21 LEU CG . 7112 1 259 . 1 1 20 20 LEU CD1 C 13 25.785 0.1 . 2 . . . . 21 LEU CD1 . 7112 1 260 . 1 1 20 20 LEU CD2 C 13 26.303 0.1 . 2 . . . . 21 LEU CD2 . 7112 1 261 . 1 1 20 20 LEU N N 15 121.784 0.05 . 1 . . . . 21 LEU N . 7112 1 262 . 1 1 21 21 HIS H H 1 8.064 0.05 . 1 . . . . 22 HIS H . 7112 1 263 . 1 1 21 21 HIS HA H 1 4.449 0.05 . 1 . . . . 22 HIS HA . 7112 1 264 . 1 1 21 21 HIS HB2 H 1 3.400 0.05 . 2 . . . . 22 HIS HB2 . 7112 1 265 . 1 1 21 21 HIS HB3 H 1 2.702 0.05 . 2 . . . . 22 HIS HB3 . 7112 1 266 . 1 1 21 21 HIS HD2 H 1 7.236 0.05 . 1 . . . . 22 HIS HD2 . 7112 1 267 . 1 1 21 21 HIS HE1 H 1 7.866 0.05 . 1 . . . . 22 HIS HE1 . 7112 1 268 . 1 1 21 21 HIS C C 13 176.359 0.1 . 1 . . . . 22 HIS C . 7112 1 269 . 1 1 21 21 HIS CA C 13 57.444 0.1 . 1 . . . . 22 HIS CA . 7112 1 270 . 1 1 21 21 HIS CB C 13 32.914 0.1 . 1 . . . . 22 HIS CB . 7112 1 271 . 1 1 21 21 HIS CD2 C 13 119.468 0.1 . 1 . . . . 22 HIS CD2 . 7112 1 272 . 1 1 21 21 HIS CE1 C 13 138.826 0.1 . 1 . . . . 22 HIS CE1 . 7112 1 273 . 1 1 21 21 HIS N N 15 109.986 0.05 . 1 . . . . 22 HIS N . 7112 1 274 . 1 1 21 21 HIS ND1 N 15 152.697 0.05 . 1 . . . . 22 HIS ND1 . 7112 1 275 . 1 1 21 21 HIS NE2 N 15 169.751 0.05 . 1 . . . . 22 HIS NE2 . 7112 1 276 . 1 1 22 22 ASP H H 1 8.165 0.05 . 1 . . . . 23 ASP H . 7112 1 277 . 1 1 22 22 ASP HA H 1 4.401 0.05 . 1 . . . . 23 ASP HA . 7112 1 278 . 1 1 22 22 ASP HB2 H 1 2.480 0.05 . 2 . . . . 23 ASP HB . 7112 1 279 . 1 1 22 22 ASP HB3 H 1 2.480 0.05 . 2 . . . . 23 ASP HB . 7112 1 280 . 1 1 22 22 ASP C C 13 176.143 0.1 . 1 . . . . 23 ASP C . 7112 1 281 . 1 1 22 22 ASP CA C 13 57.034 0.1 . 1 . . . . 23 ASP CA . 7112 1 282 . 1 1 22 22 ASP CB C 13 41.134 0.1 . 1 . . . . 23 ASP CB . 7112 1 283 . 1 1 22 22 ASP N N 15 125.466 0.05 . 1 . . . . 23 ASP N . 7112 1 284 . 1 1 23 23 SER H H 1 9.603 0.05 . 1 . . . . 24 SER H . 7112 1 285 . 1 1 23 23 SER HA H 1 4.527 0.05 . 1 . . . . 24 SER HA . 7112 1 286 . 1 1 23 23 SER HB2 H 1 4.139 0.05 . 2 . . . . 24 SER HB2 . 7112 1 287 . 1 1 23 23 SER HB3 H 1 4.062 0.05 . 2 . . . . 24 SER HB3 . 7112 1 288 . 1 1 23 23 SER C C 13 175.948 0.1 . 1 . . . . 24 SER C . 7112 1 289 . 1 1 23 23 SER CA C 13 59.695 0.1 . 1 . . . . 24 SER CA . 7112 1 290 . 1 1 23 23 SER CB C 13 63.804 0.1 . 1 . . . . 24 SER CB . 7112 1 291 . 1 1 23 23 SER N N 15 114.004 0.05 . 1 . . . . 24 SER N . 7112 1 292 . 1 1 24 24 MET H H 1 8.572 0.05 . 1 . . . . 25 MET H . 7112 1 293 . 1 1 24 24 MET HA H 1 4.875 0.05 . 1 . . . . 25 MET HA . 7112 1 294 . 1 1 24 24 MET HB2 H 1 2.404 0.05 . 2 . . . . 25 MET HB2 . 7112 1 295 . 1 1 24 24 MET HB3 H 1 1.933 0.05 . 2 . . . . 25 MET HB3 . 7112 1 296 . 1 1 24 24 MET HG2 H 1 2.581 0.05 . 2 . . . . 25 MET HG2 . 7112 1 297 . 1 1 24 24 MET HG3 H 1 2.878 0.05 . 2 . . . . 25 MET HG3 . 7112 1 298 . 1 1 24 24 MET HE1 H 1 2.033 0.05 . 2 . . . . 25 MET HE . 7112 1 299 . 1 1 24 24 MET HE2 H 1 2.033 0.05 . 2 . . . . 25 MET HE . 7112 1 300 . 1 1 24 24 MET HE3 H 1 2.033 0.05 . 2 . . . . 25 MET HE . 7112 1 301 . 1 1 24 24 MET C C 13 173.633 0.1 . 1 . . . . 25 MET C . 7112 1 302 . 1 1 24 24 MET CA C 13 56.301 0.1 . 1 . . . . 25 MET CA . 7112 1 303 . 1 1 24 24 MET CB C 13 33.687 0.1 . 1 . . . . 25 MET CB . 7112 1 304 . 1 1 24 24 MET CG C 13 33.454 0.1 . 1 . . . . 25 MET CG . 7112 1 305 . 1 1 24 24 MET CE C 13 18.034 0.1 . 1 . . . . 25 MET CE . 7112 1 306 . 1 1 24 24 MET N N 15 124.271 0.05 . 1 . . . . 25 MET N . 7112 1 307 . 1 1 25 25 LYS H H 1 9.552 0.05 . 1 . . . . 26 LYS H . 7112 1 308 . 1 1 25 25 LYS HA H 1 4.413 0.05 . 1 . . . . 26 LYS HA . 7112 1 309 . 1 1 25 25 LYS HB2 H 1 1.661 0.05 . 2 . . . . 26 LYS HB2 . 7112 1 310 . 1 1 25 25 LYS HB3 H 1 1.516 0.05 . 2 . . . . 26 LYS HB3 . 7112 1 311 . 1 1 25 25 LYS HG2 H 1 1.515 0.05 . 2 . . . . 26 LYS HG2 . 7112 1 312 . 1 1 25 25 LYS HG3 H 1 1.659 0.05 . 2 . . . . 26 LYS HG3 . 7112 1 313 . 1 1 25 25 LYS HD2 H 1 1.830 0.05 . 2 . . . . 26 LYS HD . 7112 1 314 . 1 1 25 25 LYS HD3 H 1 1.830 0.05 . 2 . . . . 26 LYS HD . 7112 1 315 . 1 1 25 25 LYS HE2 H 1 3.045 0.05 . 2 . . . . 26 LYS HE . 7112 1 316 . 1 1 25 25 LYS HE3 H 1 3.045 0.05 . 2 . . . . 26 LYS HE . 7112 1 317 . 1 1 25 25 LYS C C 13 176.196 0.1 . 1 . . . . 26 LYS C . 7112 1 318 . 1 1 25 25 LYS CA C 13 57.383 0.1 . 1 . . . . 26 LYS CA . 7112 1 319 . 1 1 25 25 LYS CB C 13 35.105 0.1 . 1 . . . . 26 LYS CB . 7112 1 320 . 1 1 25 25 LYS CG C 13 25.015 0.1 . 1 . . . . 26 LYS CG . 7112 1 321 . 1 1 25 25 LYS CD C 13 29.948 0.1 . 1 . . . . 26 LYS CD . 7112 1 322 . 1 1 25 25 LYS CE C 13 42.230 0.1 . 1 . . . . 26 LYS CE . 7112 1 323 . 1 1 25 25 LYS N N 15 122.076 0.05 . 1 . . . . 26 LYS N . 7112 1 324 . 1 1 26 26 TYR H H 1 8.318 0.05 . 1 . . . . 27 TYR H . 7112 1 325 . 1 1 26 26 TYR HA H 1 5.340 0.05 . 1 . . . . 27 TYR HA . 7112 1 326 . 1 1 26 26 TYR HB2 H 1 3.437 0.05 . 2 . . . . 27 TYR HB2 . 7112 1 327 . 1 1 26 26 TYR HB3 H 1 2.584 0.05 . 2 . . . . 27 TYR HB3 . 7112 1 328 . 1 1 26 26 TYR HD1 H 1 6.935 0.05 . 3 . . . . 27 TYR HD . 7112 1 329 . 1 1 26 26 TYR HD2 H 1 6.935 0.05 . 3 . . . . 27 TYR HD . 7112 1 330 . 1 1 26 26 TYR HE1 H 1 6.704 0.05 . 3 . . . . 27 TYR HE . 7112 1 331 . 1 1 26 26 TYR HE2 H 1 6.704 0.05 . 3 . . . . 27 TYR HE . 7112 1 332 . 1 1 26 26 TYR C C 13 171.991 0.1 . 1 . . . . 27 TYR C . 7112 1 333 . 1 1 26 26 TYR CA C 13 57.278 0.1 . 1 . . . . 27 TYR CA . 7112 1 334 . 1 1 26 26 TYR CB C 13 43.438 0.1 . 1 . . . . 27 TYR CB . 7112 1 335 . 1 1 26 26 TYR CD1 C 13 132.971 0.1 . 3 . . . . 27 TYR CD1 . 7112 1 336 . 1 1 26 26 TYR CE1 C 13 117.647 0.1 . 3 . . . . 27 TYR CE1 . 7112 1 337 . 1 1 26 26 TYR N N 15 119.394 0.05 . 1 . . . . 27 TYR N . 7112 1 338 . 1 1 27 27 LEU H H 1 8.240 0.05 . 1 . . . . 28 LEU H . 7112 1 339 . 1 1 27 27 LEU HA H 1 5.166 0.05 . 1 . . . . 28 LEU HA . 7112 1 340 . 1 1 27 27 LEU HB2 H 1 1.786 0.05 . 2 . . . . 28 LEU HB2 . 7112 1 341 . 1 1 27 27 LEU HB3 H 1 1.614 0.05 . 2 . . . . 28 LEU HB3 . 7112 1 342 . 1 1 27 27 LEU HG H 1 1.636 0.05 . 1 . . . . 28 LEU HG . 7112 1 343 . 1 1 27 27 LEU HD11 H 1 0.979 0.05 . 2 . . . . 28 LEU HD1 . 7112 1 344 . 1 1 27 27 LEU HD12 H 1 0.979 0.05 . 2 . . . . 28 LEU HD1 . 7112 1 345 . 1 1 27 27 LEU HD13 H 1 0.979 0.05 . 2 . . . . 28 LEU HD1 . 7112 1 346 . 1 1 27 27 LEU HD21 H 1 0.635 0.05 . 2 . . . . 28 LEU HD2 . 7112 1 347 . 1 1 27 27 LEU HD22 H 1 0.635 0.05 . 2 . . . . 28 LEU HD2 . 7112 1 348 . 1 1 27 27 LEU HD23 H 1 0.635 0.05 . 2 . . . . 28 LEU HD2 . 7112 1 349 . 1 1 27 27 LEU C C 13 172.398 0.1 . 1 . . . . 28 LEU C . 7112 1 350 . 1 1 27 27 LEU CA C 13 54.060 0.1 . 1 . . . . 28 LEU CA . 7112 1 351 . 1 1 27 27 LEU CB C 13 46.826 0.1 . 1 . . . . 28 LEU CB . 7112 1 352 . 1 1 27 27 LEU CG C 13 28.823 0.1 . 1 . . . . 28 LEU CG . 7112 1 353 . 1 1 27 27 LEU CD1 C 13 23.710 0.1 . 2 . . . . 28 LEU CD1 . 7112 1 354 . 1 1 27 27 LEU CD2 C 13 25.992 0.1 . 1 . . . . 28 LEU CD2 . 7112 1 355 . 1 1 27 27 LEU N N 15 128.850 0.05 . 1 . . . . 28 LEU N . 7112 1 356 . 1 1 28 28 VAL H H 1 8.990 0.05 . 1 . . . . 29 VAL H . 7112 1 357 . 1 1 28 28 VAL HA H 1 5.789 0.05 . 1 . . . . 29 VAL HA . 7112 1 358 . 1 1 28 28 VAL HB H 1 2.066 0.05 . 1 . . . . 29 VAL HB . 7112 1 359 . 1 1 28 28 VAL HG11 H 1 1.200 0.05 . 2 . . . . 29 VAL HG1 . 7112 1 360 . 1 1 28 28 VAL HG12 H 1 1.200 0.05 . 2 . . . . 29 VAL HG1 . 7112 1 361 . 1 1 28 28 VAL HG13 H 1 1.200 0.05 . 2 . . . . 29 VAL HG1 . 7112 1 362 . 1 1 28 28 VAL HG21 H 1 1.015 0.05 . 2 . . . . 29 VAL HG2 . 7112 1 363 . 1 1 28 28 VAL HG22 H 1 1.015 0.05 . 2 . . . . 29 VAL HG2 . 7112 1 364 . 1 1 28 28 VAL HG23 H 1 1.015 0.05 . 2 . . . . 29 VAL HG2 . 7112 1 365 . 1 1 28 28 VAL C C 13 172.981 0.1 . 1 . . . . 29 VAL C . 7112 1 366 . 1 1 28 28 VAL CA C 13 58.702 0.1 . 1 . . . . 29 VAL CA . 7112 1 367 . 1 1 28 28 VAL CB C 13 34.207 0.1 . 1 . . . . 29 VAL CB . 7112 1 368 . 1 1 28 28 VAL CG1 C 13 21.045 0.1 . 2 . . . . 29 VAL CG1 . 7112 1 369 . 1 1 28 28 VAL CG2 C 13 21.576 0.1 . 2 . . . . 29 VAL CG2 . 7112 1 370 . 1 1 28 28 VAL N N 15 124.696 0.05 . 1 . . . . 29 VAL N . 7112 1 371 . 1 1 29 29 TYR H H 1 8.886 0.05 . 1 . . . . 30 TYR H . 7112 1 372 . 1 1 29 29 TYR HA H 1 5.737 0.05 . 1 . . . . 30 TYR HA . 7112 1 373 . 1 1 29 29 TYR HB2 H 1 3.401 0.05 . 2 . . . . 30 TYR HB2 . 7112 1 374 . 1 1 29 29 TYR HB3 H 1 2.823 0.05 . 2 . . . . 30 TYR HB3 . 7112 1 375 . 1 1 29 29 TYR HD1 H 1 6.740 0.05 . 3 . . . . 30 TYR HD . 7112 1 376 . 1 1 29 29 TYR HD2 H 1 6.740 0.05 . 3 . . . . 30 TYR HD . 7112 1 377 . 1 1 29 29 TYR HE1 H 1 5.793 0.05 . 3 . . . . 30 TYR HE . 7112 1 378 . 1 1 29 29 TYR HE2 H 1 5.793 0.05 . 3 . . . . 30 TYR HE . 7112 1 379 . 1 1 29 29 TYR C C 13 171.663 0.1 . 1 . . . . 30 TYR C . 7112 1 380 . 1 1 29 29 TYR CA C 13 56.710 0.1 . 1 . . . . 30 TYR CA . 7112 1 381 . 1 1 29 29 TYR CB C 13 41.609 0.1 . 1 . . . . 30 TYR CB . 7112 1 382 . 1 1 29 29 TYR CD1 C 13 132.598 0.1 . 3 . . . . 30 TYR CD1 . 7112 1 383 . 1 1 29 29 TYR CE1 C 13 119.620 0.1 . 3 . . . . 30 TYR CE1 . 7112 1 384 . 1 1 29 29 TYR N N 15 120.733 0.05 . 1 . . . . 30 TYR N . 7112 1 385 . 1 1 30 30 GLN H H 1 9.115 0.05 . 1 . . . . 31 GLN H . 7112 1 386 . 1 1 30 30 GLN HA H 1 5.067 0.05 . 1 . . . . 31 GLN HA . 7112 1 387 . 1 1 30 30 GLN HB2 H 1 2.300 0.05 . 2 . . . . 31 GLN HB2 . 7112 1 388 . 1 1 30 30 GLN HB3 H 1 1.996 0.05 . 2 . . . . 31 GLN HB3 . 7112 1 389 . 1 1 30 30 GLN HG2 H 1 2.627 0.05 . 1 . . . . 31 GLN HG . 7112 1 390 . 1 1 30 30 GLN HG3 H 1 2.627 0.05 . 1 . . . . 31 GLN HG . 7112 1 391 . 1 1 30 30 GLN HE21 H 1 7.480 0.05 . 2 . . . . 31 GLN HE21 . 7112 1 392 . 1 1 30 30 GLN HE22 H 1 6.774 0.05 . 2 . . . . 31 GLN HE22 . 7112 1 393 . 1 1 30 30 GLN C C 13 173.912 0.1 . 1 . . . . 31 GLN C . 7112 1 394 . 1 1 30 30 GLN CA C 13 53.430 0.1 . 1 . . . . 31 GLN CA . 7112 1 395 . 1 1 30 30 GLN CB C 13 31.402 0.1 . 1 . . . . 31 GLN CB . 7112 1 396 . 1 1 30 30 GLN CG C 13 30.361 0.1 . 1 . . . . 31 GLN CG . 7112 1 397 . 1 1 30 30 GLN N N 15 114.594 0.05 . 1 . . . . 31 GLN N . 7112 1 398 . 1 1 30 30 GLN NE2 N 15 112.097 0.05 . 1 . . . . 31 GLN NE2 . 7112 1 399 . 1 1 31 31 THR H H 1 8.590 0.05 . 1 . . . . 32 THR H . 7112 1 400 . 1 1 31 31 THR HA H 1 5.602 0.05 . 1 . . . . 32 THR HA . 7112 1 401 . 1 1 31 31 THR HB H 1 4.276 0.05 . 1 . . . . 32 THR HB . 7112 1 402 . 1 1 31 31 THR HG21 H 1 1.516 0.05 . 2 . . . . 32 THR HG2 . 7112 1 403 . 1 1 31 31 THR HG22 H 1 1.516 0.05 . 2 . . . . 32 THR HG2 . 7112 1 404 . 1 1 31 31 THR HG23 H 1 1.516 0.05 . 2 . . . . 32 THR HG2 . 7112 1 405 . 1 1 31 31 THR C C 13 174.521 0.1 . 1 . . . . 32 THR C . 7112 1 406 . 1 1 31 31 THR CA C 13 62.168 0.1 . 1 . . . . 32 THR CA . 7112 1 407 . 1 1 31 31 THR CB C 13 69.132 0.1 . 1 . . . . 32 THR CB . 7112 1 408 . 1 1 31 31 THR CG2 C 13 24.655 0.1 . 1 . . . . 32 THR CG2 . 7112 1 409 . 1 1 31 31 THR N N 15 117.824 0.05 . 1 . . . . 32 THR N . 7112 1 410 . 1 1 32 32 GLU H H 1 9.431 0.05 . 1 . . . . 33 GLU H . 7112 1 411 . 1 1 32 32 GLU HA H 1 5.031 0.05 . 1 . . . . 33 GLU HA . 7112 1 412 . 1 1 32 32 GLU HB2 H 1 2.008 0.05 . 2 . . . . 33 GLU HB2 . 7112 1 413 . 1 1 32 32 GLU HB3 H 1 1.307 0.05 . 2 . . . . 33 GLU HB3 . 7112 1 414 . 1 1 32 32 GLU HG2 H 1 2.136 0.05 . 2 . . . . 33 GLU HG2 . 7112 1 415 . 1 1 32 32 GLU HG3 H 1 2.241 0.05 . 2 . . . . 33 GLU HG3 . 7112 1 416 . 1 1 32 32 GLU C C 13 174.199 0.1 . 1 . . . . 33 GLU C . 7112 1 417 . 1 1 32 32 GLU CA C 13 54.298 0.1 . 1 . . . . 33 GLU CA . 7112 1 418 . 1 1 32 32 GLU CB C 13 34.058 0.1 . 1 . . . . 33 GLU CB . 7112 1 419 . 1 1 32 32 GLU CG C 13 36.492 0.1 . 1 . . . . 33 GLU CG . 7112 1 420 . 1 1 32 32 GLU N N 15 125.218 0.05 . 1 . . . . 33 GLU N . 7112 1 421 . 1 1 33 33 GLN H H 1 8.691 0.05 . 1 . . . . 34 GLN H . 7112 1 422 . 1 1 33 33 GLN HA H 1 4.501 0.05 . 1 . . . . 34 GLN HA . 7112 1 423 . 1 1 33 33 GLN HB2 H 1 2.125 0.05 . 2 . . . . 34 GLN HB2 . 7112 1 424 . 1 1 33 33 GLN HB3 H 1 2.000 0.05 . 2 . . . . 34 GLN HB3 . 7112 1 425 . 1 1 33 33 GLN HG2 H 1 2.494 0.05 . 2 . . . . 34 GLN HG . 7112 1 426 . 1 1 33 33 GLN HG3 H 1 2.494 0.05 . 2 . . . . 34 GLN HG . 7112 1 427 . 1 1 33 33 GLN HE21 H 1 7.516 0.05 . 2 . . . . 34 GLN HE21 . 7112 1 428 . 1 1 33 33 GLN HE22 H 1 6.772 0.05 . 2 . . . . 34 GLN HE22 . 7112 1 429 . 1 1 33 33 GLN C C 13 176.138 0.1 . 1 . . . . 34 GLN C . 7112 1 430 . 1 1 33 33 GLN CA C 13 55.855 0.1 . 1 . . . . 34 GLN CA . 7112 1 431 . 1 1 33 33 GLN CB C 13 30.808 0.1 . 1 . . . . 34 GLN CB . 7112 1 432 . 1 1 33 33 GLN CG C 13 33.948 0.1 . 1 . . . . 34 GLN CG . 7112 1 433 . 1 1 33 33 GLN N N 15 119.833 0.05 . 1 . . . . 34 GLN N . 7112 1 434 . 1 1 33 33 GLN NE2 N 15 112.845 0.05 . 1 . . . . 34 GLN NE2 . 7112 1 435 . 1 1 34 34 GLY H H 1 8.508 0.05 . 1 . . . . 35 GLY H . 7112 1 436 . 1 1 34 34 GLY HA2 H 1 4.613 0.05 . 2 . . . . 35 GLY HA1 . 7112 1 437 . 1 1 34 34 GLY HA3 H 1 3.830 0.05 . 2 . . . . 35 GLY HA2 . 7112 1 438 . 1 1 34 34 GLY C C 13 174.383 0.1 . 1 . . . . 35 GLY C . 7112 1 439 . 1 1 34 34 GLY CA C 13 44.186 0.1 . 1 . . . . 35 GLY CA . 7112 1 440 . 1 1 34 34 GLY N N 15 115.498 0.05 . 1 . . . . 35 GLY N . 7112 1 441 . 1 1 35 35 GLU H H 1 8.839 0.05 . 1 . . . . 36 GLU H . 7112 1 442 . 1 1 35 35 GLU HA H 1 4.288 0.05 . 1 . . . . 36 GLU HA . 7112 1 443 . 1 1 35 35 GLU HB2 H 1 2.035 0.05 . 2 . . . . 36 GLU HB . 7112 1 444 . 1 1 35 35 GLU HB3 H 1 2.035 0.05 . 2 . . . . 36 GLU HB . 7112 1 445 . 1 1 35 35 GLU HG2 H 1 2.324 0.05 . 2 . . . . 36 GLU HG . 7112 1 446 . 1 1 35 35 GLU HG3 H 1 2.324 0.05 . 2 . . . . 36 GLU HG . 7112 1 447 . 1 1 35 35 GLU C C 13 177.209 0.1 . 1 . . . . 36 GLU C . 7112 1 448 . 1 1 35 35 GLU CA C 13 57.142 0.1 . 1 . . . . 36 GLU CA . 7112 1 449 . 1 1 35 35 GLU CB C 13 30.363 0.1 . 1 . . . . 36 GLU CB . 7112 1 450 . 1 1 35 35 GLU CG C 13 36.268 0.1 . 1 . . . . 36 GLU CG . 7112 1 451 . 1 1 35 35 GLU N N 15 121.851 0.05 . 1 . . . . 36 GLU N . 7112 1 452 . 1 1 36 36 ALA H H 1 8.909 0.05 . 1 . . . . 37 ALA H . 7112 1 453 . 1 1 36 36 ALA HA H 1 4.263 0.05 . 1 . . . . 37 ALA HA . 7112 1 454 . 1 1 36 36 ALA HB1 H 1 1.461 0.05 . 2 . . . . 37 ALA HB . 7112 1 455 . 1 1 36 36 ALA HB2 H 1 1.461 0.05 . 2 . . . . 37 ALA HB . 7112 1 456 . 1 1 36 36 ALA HB3 H 1 1.461 0.05 . 2 . . . . 37 ALA HB . 7112 1 457 . 1 1 36 36 ALA C C 13 177.501 0.1 . 1 . . . . 37 ALA C . 7112 1 458 . 1 1 36 36 ALA CA C 13 52.814 0.1 . 1 . . . . 37 ALA CA . 7112 1 459 . 1 1 36 36 ALA CB C 13 17.788 0.1 . 1 . . . . 37 ALA CB . 7112 1 460 . 1 1 36 36 ALA N N 15 123.102 0.05 . 1 . . . . 37 ALA N . 7112 1 461 . 1 1 37 37 GLY H H 1 8.443 0.05 . 1 . . . . 38 GLY H . 7112 1 462 . 1 1 37 37 GLY HA2 H 1 4.210 0.05 . 2 . . . . 38 GLY HA1 . 7112 1 463 . 1 1 37 37 GLY HA3 H 1 3.699 0.05 . 2 . . . . 38 GLY HA2 . 7112 1 464 . 1 1 37 37 GLY C C 13 174.433 0.1 . 1 . . . . 38 GLY C . 7112 1 465 . 1 1 37 37 GLY CA C 13 45.423 0.1 . 1 . . . . 38 GLY CA . 7112 1 466 . 1 1 37 37 GLY N N 15 106.562 0.05 . 1 . . . . 38 GLY N . 7112 1 467 . 1 1 38 38 ASN H H 1 8.098 0.05 . 1 . . . . 39 ASN H . 7112 1 468 . 1 1 38 38 ASN HA H 1 4.907 0.05 . 1 . . . . 39 ASN HA . 7112 1 469 . 1 1 38 38 ASN HB2 H 1 2.999 0.05 . 2 . . . . 39 ASN HB2 . 7112 1 470 . 1 1 38 38 ASN HB3 H 1 2.870 0.05 . 2 . . . . 39 ASN HB3 . 7112 1 471 . 1 1 38 38 ASN HD21 H 1 7.647 0.05 . 2 . . . . 39 ASN HD21 . 7112 1 472 . 1 1 38 38 ASN HD22 H 1 7.147 0.05 . 2 . . . . 39 ASN HD22 . 7112 1 473 . 1 1 38 38 ASN C C 13 174.753 0.1 . 1 . . . . 39 ASN C . 7112 1 474 . 1 1 38 38 ASN CA C 13 53.386 0.1 . 1 . . . . 39 ASN CA . 7112 1 475 . 1 1 38 38 ASN CB C 13 39.914 0.1 . 1 . . . . 39 ASN CB . 7112 1 476 . 1 1 38 38 ASN N N 15 119.015 0.05 . 1 . . . . 39 ASN N . 7112 1 477 . 1 1 38 38 ASN ND2 N 15 115.094 0.05 . 1 . . . . 39 ASN ND2 . 7112 1 478 . 1 1 39 39 ILE H H 1 8.411 0.05 . 1 . . . . 40 ILE H . 7112 1 479 . 1 1 39 39 ILE HA H 1 4.888 0.05 . 1 . . . . 40 ILE HA . 7112 1 480 . 1 1 39 39 ILE HB H 1 1.859 0.05 . 1 . . . . 40 ILE HB . 7112 1 481 . 1 1 39 39 ILE HG12 H 1 1.206 0.05 . 2 . . . . 40 ILE HG11 . 7112 1 482 . 1 1 39 39 ILE HG13 H 1 1.427 0.05 . 2 . . . . 40 ILE HG12 . 7112 1 483 . 1 1 39 39 ILE HG21 H 1 0.901 0.05 . 2 . . . . 40 ILE HG2 . 7112 1 484 . 1 1 39 39 ILE HG22 H 1 0.901 0.05 . 2 . . . . 40 ILE HG2 . 7112 1 485 . 1 1 39 39 ILE HG23 H 1 0.901 0.05 . 2 . . . . 40 ILE HG2 . 7112 1 486 . 1 1 39 39 ILE HD11 H 1 0.850 0.05 . 2 . . . . 40 ILE HD1 . 7112 1 487 . 1 1 39 39 ILE HD12 H 1 0.850 0.05 . 2 . . . . 40 ILE HD1 . 7112 1 488 . 1 1 39 39 ILE HD13 H 1 0.850 0.05 . 2 . . . . 40 ILE HD1 . 7112 1 489 . 1 1 39 39 ILE C C 13 175.248 0.1 . 1 . . . . 40 ILE C . 7112 1 490 . 1 1 39 39 ILE CA C 13 60.287 0.1 . 1 . . . . 40 ILE CA . 7112 1 491 . 1 1 39 39 ILE CB C 13 41.111 0.1 . 1 . . . . 40 ILE CB . 7112 1 492 . 1 1 39 39 ILE CG1 C 13 26.823 0.1 . 1 . . . . 40 ILE CG1 . 7112 1 493 . 1 1 39 39 ILE CG2 C 13 18.410 0.1 . 1 . . . . 40 ILE CG2 . 7112 1 494 . 1 1 39 39 ILE CD1 C 13 13.449 0.1 . 1 . . . . 40 ILE CD1 . 7112 1 495 . 1 1 39 39 ILE N N 15 118.874 0.05 . 1 . . . . 40 ILE N . 7112 1 496 . 1 1 40 40 HIS H H 1 8.742 0.05 . 1 . . . . 41 HIS H . 7112 1 497 . 1 1 40 40 HIS HA H 1 5.432 0.05 . 1 . . . . 41 HIS HA . 7112 1 498 . 1 1 40 40 HIS HB2 H 1 3.400 0.05 . 2 . . . . 41 HIS HB2 . 7112 1 499 . 1 1 40 40 HIS HB3 H 1 2.994 0.05 . 2 . . . . 41 HIS HB3 . 7112 1 500 . 1 1 40 40 HIS HD2 H 1 6.805 0.05 . 1 . . . . 41 HIS HD2 . 7112 1 501 . 1 1 40 40 HIS HE1 H 1 7.964 0.05 . 1 . . . . 41 HIS HE1 . 7112 1 502 . 1 1 40 40 HIS C C 13 175.404 0.1 . 1 . . . . 41 HIS C . 7112 1 503 . 1 1 40 40 HIS CA C 13 54.352 0.1 . 1 . . . . 41 HIS CA . 7112 1 504 . 1 1 40 40 HIS CB C 13 33.287 0.1 . 1 . . . . 41 HIS CB . 7112 1 505 . 1 1 40 40 HIS CD2 C 13 119.629 0.1 . 1 . . . . 41 HIS CD2 . 7112 1 506 . 1 1 40 40 HIS CE1 C 13 137.196 0.1 . 1 . . . . 41 HIS CE1 . 7112 1 507 . 1 1 40 40 HIS N N 15 116.811 0.05 . 1 . . . . 41 HIS N . 7112 1 508 . 1 1 40 40 HIS ND1 N 15 214.844 0.05 . 1 . . . . 41 HIS ND1 . 7112 1 509 . 1 1 40 40 HIS NE2 N 15 183.383 0.05 . 1 . . . . 41 HIS NE2 . 7112 1 510 . 1 1 41 41 PHE H H 1 8.935 0.05 . 1 . . . . 42 PHE H . 7112 1 511 . 1 1 41 41 PHE HA H 1 6.409 0.05 . 1 . . . . 42 PHE HA . 7112 1 512 . 1 1 41 41 PHE HB2 H 1 3.338 0.05 . 2 . . . . 42 PHE HB2 . 7112 1 513 . 1 1 41 41 PHE HB3 H 1 3.259 0.05 . 2 . . . . 42 PHE HB3 . 7112 1 514 . 1 1 41 41 PHE HD1 H 1 7.270 0.05 . 3 . . . . 42 PHE HD . 7112 1 515 . 1 1 41 41 PHE HD2 H 1 7.270 0.05 . 3 . . . . 42 PHE HD . 7112 1 516 . 1 1 41 41 PHE HE1 H 1 7.583 0.05 . 3 . . . . 42 PHE HE . 7112 1 517 . 1 1 41 41 PHE HE2 H 1 7.583 0.05 . 3 . . . . 42 PHE HE . 7112 1 518 . 1 1 41 41 PHE HZ H 1 7.148 0.05 . 1 . . . . 42 PHE HZ . 7112 1 519 . 1 1 41 41 PHE C C 13 176.173 0.1 . 1 . . . . 42 PHE C . 7112 1 520 . 1 1 41 41 PHE CA C 13 52.993 0.1 . 1 . . . . 42 PHE CA . 7112 1 521 . 1 1 41 41 PHE CB C 13 40.879 0.1 . 1 . . . . 42 PHE CB . 7112 1 522 . 1 1 41 41 PHE CD1 C 13 130.058 0.1 . 1 . . . . 42 PHE CD1 . 7112 1 523 . 1 1 41 41 PHE CE1 C 13 133.307 0.1 . 1 . . . . 42 PHE CE1 . 7112 1 524 . 1 1 41 41 PHE CZ C 13 130.772 0.1 . 1 . . . . 42 PHE CZ . 7112 1 525 . 1 1 41 41 PHE N N 15 117.383 0.05 . 1 . . . . 42 PHE N . 7112 1 526 . 1 1 42 42 GLN H H 1 9.221 0.05 . 1 . . . . 43 GLN H . 7112 1 527 . 1 1 42 42 GLN HA H 1 4.961 0.05 . 1 . . . . 43 GLN HA . 7112 1 528 . 1 1 42 42 GLN HB2 H 1 2.109 0.05 . 2 . . . . 43 GLN HB2 . 7112 1 529 . 1 1 42 42 GLN HB3 H 1 2.008 0.05 . 2 . . . . 43 GLN HB3 . 7112 1 530 . 1 1 42 42 GLN HG2 H 1 2.394 0.05 . 2 . . . . 43 GLN HG2 . 7112 1 531 . 1 1 42 42 GLN HG3 H 1 2.559 0.05 . 2 . . . . 43 GLN HG3 . 7112 1 532 . 1 1 42 42 GLN HE21 H 1 7.687 0.05 . 2 . . . . 43 GLN HE21 . 7112 1 533 . 1 1 42 42 GLN HE22 H 1 6.634 0.05 . 2 . . . . 43 GLN HE22 . 7112 1 534 . 1 1 42 42 GLN C C 13 174.718 0.1 . 1 . . . . 43 GLN C . 7112 1 535 . 1 1 42 42 GLN CA C 13 54.179 0.1 . 1 . . . . 43 GLN CA . 7112 1 536 . 1 1 42 42 GLN CB C 13 32.275 0.1 . 1 . . . . 43 GLN CB . 7112 1 537 . 1 1 42 42 GLN CG C 13 33.248 0.1 . 1 . . . . 43 GLN CG . 7112 1 538 . 1 1 42 42 GLN N N 15 123.878 0.05 . 1 . . . . 43 GLN N . 7112 1 539 . 1 1 42 42 GLN NE2 N 15 112.441 0.05 . 1 . . . . 43 GLN NE2 . 7112 1 540 . 1 1 43 43 GLY H H 1 7.787 0.05 . 1 . . . . 44 GLY H . 7112 1 541 . 1 1 43 43 GLY HA2 H 1 4.472 0.05 . 2 . . . . 44 GLY HA . 7112 1 542 . 1 1 43 43 GLY HA3 H 1 4.472 0.05 . 2 . . . . 44 GLY HA . 7112 1 543 . 1 1 43 43 GLY C C 13 171.982 0.1 . 1 . . . . 44 GLY C . 7112 1 544 . 1 1 43 43 GLY CA C 13 46.999 0.1 . 1 . . . . 44 GLY CA . 7112 1 545 . 1 1 43 43 GLY N N 15 111.397 0.05 . 1 . . . . 44 GLY N . 7112 1 546 . 1 1 44 44 TYR H H 1 9.547 0.05 . 1 . . . . 45 TYR H . 7112 1 547 . 1 1 44 44 TYR HA H 1 5.811 0.05 . 1 . . . . 45 TYR HA . 7112 1 548 . 1 1 44 44 TYR HB2 H 1 2.798 0.05 . 2 . . . . 45 TYR HB . 7112 1 549 . 1 1 44 44 TYR HB3 H 1 2.798 0.05 . 2 . . . . 45 TYR HB . 7112 1 550 . 1 1 44 44 TYR HD1 H 1 7.097 0.05 . 3 . . . . 45 TYR HD . 7112 1 551 . 1 1 44 44 TYR HD2 H 1 7.097 0.05 . 3 . . . . 45 TYR HD . 7112 1 552 . 1 1 44 44 TYR HE1 H 1 6.771 0.05 . 3 . . . . 45 TYR HE . 7112 1 553 . 1 1 44 44 TYR HE2 H 1 6.771 0.05 . 3 . . . . 45 TYR HE . 7112 1 554 . 1 1 44 44 TYR C C 13 175.889 0.1 . 1 . . . . 45 TYR C . 7112 1 555 . 1 1 44 44 TYR CA C 13 57.140 0.1 . 1 . . . . 45 TYR CA . 7112 1 556 . 1 1 44 44 TYR CB C 13 42.318 0.1 . 1 . . . . 45 TYR CB . 7112 1 557 . 1 1 44 44 TYR CD1 C 13 133.464 0.1 . 1 . . . . 45 TYR CD1 . 7112 1 558 . 1 1 44 44 TYR CE1 C 13 117.844 0.1 . 1 . . . . 45 TYR CE1 . 7112 1 559 . 1 1 44 44 TYR N N 15 121.095 0.05 . 1 . . . . 45 TYR N . 7112 1 560 . 1 1 45 45 ILE H H 1 9.162 0.05 . 1 . . . . 46 ILE H . 7112 1 561 . 1 1 45 45 ILE HA H 1 5.166 0.05 . 1 . . . . 46 ILE HA . 7112 1 562 . 1 1 45 45 ILE HB H 1 1.710 0.05 . 1 . . . . 46 ILE HB . 7112 1 563 . 1 1 45 45 ILE HG12 H 1 1.234 0.05 . 2 . . . . 46 ILE HG11 . 7112 1 564 . 1 1 45 45 ILE HG13 H 1 1.897 0.05 . 2 . . . . 46 ILE HG12 . 7112 1 565 . 1 1 45 45 ILE HG21 H 1 1.106 0.05 . 2 . . . . 46 ILE HG2 . 7112 1 566 . 1 1 45 45 ILE HG22 H 1 1.106 0.05 . 2 . . . . 46 ILE HG2 . 7112 1 567 . 1 1 45 45 ILE HG23 H 1 1.106 0.05 . 2 . . . . 46 ILE HG2 . 7112 1 568 . 1 1 45 45 ILE HD11 H 1 0.631 0.05 . 2 . . . . 46 ILE HD1 . 7112 1 569 . 1 1 45 45 ILE HD12 H 1 0.631 0.05 . 2 . . . . 46 ILE HD1 . 7112 1 570 . 1 1 45 45 ILE HD13 H 1 0.631 0.05 . 2 . . . . 46 ILE HD1 . 7112 1 571 . 1 1 45 45 ILE C C 13 175.860 0.1 . 1 . . . . 46 ILE C . 7112 1 572 . 1 1 45 45 ILE CA C 13 59.499 0.1 . 1 . . . . 46 ILE CA . 7112 1 573 . 1 1 45 45 ILE CB C 13 45.012 0.1 . 1 . . . . 46 ILE CB . 7112 1 574 . 1 1 45 45 ILE CG1 C 13 29.097 0.1 . 1 . . . . 46 ILE CG1 . 7112 1 575 . 1 1 45 45 ILE CG2 C 13 18.928 0.1 . 1 . . . . 46 ILE CG2 . 7112 1 576 . 1 1 45 45 ILE CD1 C 13 15.843 0.1 . 1 . . . . 46 ILE CD1 . 7112 1 577 . 1 1 45 45 ILE N N 15 122.977 0.05 . 1 . . . . 46 ILE N . 7112 1 578 . 1 1 46 46 GLU HA H 1 5.298 0.05 . 1 . . . . 47 GLU HA . 7112 1 579 . 1 1 46 46 GLU HB2 H 1 2.108 0.05 . 2 . . . . 47 GLU HB . 7112 1 580 . 1 1 46 46 GLU HB3 H 1 2.108 0.05 . 2 . . . . 47 GLU HB . 7112 1 581 . 1 1 46 46 GLU HG2 H 1 2.619 0.05 . 2 . . . . 47 GLU HG . 7112 1 582 . 1 1 46 46 GLU HG3 H 1 2.619 0.05 . 2 . . . . 47 GLU HG . 7112 1 583 . 1 1 46 46 GLU C C 13 176.682 0.1 . 1 . . . . 47 GLU C . 7112 1 584 . 1 1 46 46 GLU CA C 13 54.442 0.1 . 1 . . . . 47 GLU CA . 7112 1 585 . 1 1 46 46 GLU CB C 13 32.426 0.1 . 1 . . . . 47 GLU CB . 7112 1 586 . 1 1 46 46 GLU CG C 13 35.903 0.1 . 1 . . . . 47 GLU CG . 7112 1 587 . 1 1 47 47 MET H H 1 9.717 0.05 . 1 . . . . 48 MET H . 7112 1 588 . 1 1 47 47 MET HA H 1 5.270 0.05 . 1 . . . . 48 MET HA . 7112 1 589 . 1 1 47 47 MET HB2 H 1 2.566 0.05 . 2 . . . . 48 MET HB2 . 7112 1 590 . 1 1 47 47 MET HB3 H 1 2.358 0.05 . 2 . . . . 48 MET HB3 . 7112 1 591 . 1 1 47 47 MET HG2 H 1 2.509 0.05 . 2 . . . . 48 MET HG . 7112 1 592 . 1 1 47 47 MET HG3 H 1 2.509 0.05 . 2 . . . . 48 MET HG . 7112 1 593 . 1 1 47 47 MET HE1 H 1 1.952 0.05 . 2 . . . . 48 MET HE . 7112 1 594 . 1 1 47 47 MET HE2 H 1 1.952 0.05 . 2 . . . . 48 MET HE . 7112 1 595 . 1 1 47 47 MET HE3 H 1 1.952 0.05 . 2 . . . . 48 MET HE . 7112 1 596 . 1 1 47 47 MET C C 13 176.961 0.1 . 1 . . . . 48 MET C . 7112 1 597 . 1 1 47 47 MET CA C 13 53.763 0.1 . 1 . . . . 48 MET CA . 7112 1 598 . 1 1 47 47 MET CB C 13 32.079 0.1 . 1 . . . . 48 MET CB . 7112 1 599 . 1 1 47 47 MET CG C 13 32.338 0.1 . 1 . . . . 48 MET CG . 7112 1 600 . 1 1 47 47 MET CE C 13 16.217 0.1 . 1 . . . . 48 MET CE . 7112 1 601 . 1 1 47 47 MET N N 15 125.727 0.05 . 1 . . . . 48 MET N . 7112 1 602 . 1 1 48 48 LYS H H 1 8.023 0.05 . 1 . . . . 49 LYS H . 7112 1 603 . 1 1 48 48 LYS HA H 1 4.034 0.05 . 1 . . . . 49 LYS HA . 7112 1 604 . 1 1 48 48 LYS HB2 H 1 1.970 0.05 . 2 . . . . 49 LYS HB2 . 7112 1 605 . 1 1 48 48 LYS HB3 H 1 1.753 0.05 . 2 . . . . 49 LYS HB3 . 7112 1 606 . 1 1 48 48 LYS HG2 H 1 1.255 0.05 . 2 . . . . 49 LYS HG . 7112 1 607 . 1 1 48 48 LYS HG3 H 1 1.255 0.05 . 2 . . . . 49 LYS HG . 7112 1 608 . 1 1 48 48 LYS HD2 H 1 1.742 0.05 . 2 . . . . 49 LYS HD . 7112 1 609 . 1 1 48 48 LYS HD3 H 1 1.742 0.05 . 2 . . . . 49 LYS HD . 7112 1 610 . 1 1 48 48 LYS HE2 H 1 3.003 0.05 . 2 . . . . 49 LYS HE . 7112 1 611 . 1 1 48 48 LYS HE3 H 1 3.003 0.05 . 2 . . . . 49 LYS HE . 7112 1 612 . 1 1 48 48 LYS C C 13 176.295 0.1 . 1 . . . . 49 LYS C . 7112 1 613 . 1 1 48 48 LYS CA C 13 60.378 0.1 . 1 . . . . 49 LYS CA . 7112 1 614 . 1 1 48 48 LYS CB C 13 33.329 0.1 . 1 . . . . 49 LYS CB . 7112 1 615 . 1 1 48 48 LYS CG C 13 28.041 0.1 . 1 . . . . 49 LYS CG . 7112 1 616 . 1 1 48 48 LYS CD C 13 29.898 0.1 . 1 . . . . 49 LYS CD . 7112 1 617 . 1 1 48 48 LYS CE C 13 42.428 0.1 . 1 . . . . 49 LYS CE . 7112 1 618 . 1 1 48 48 LYS N N 15 118.308 0.05 . 1 . . . . 49 LYS N . 7112 1 619 . 1 1 49 49 LYS H H 1 8.197 0.05 . 1 . . . . 50 LYS H . 7112 1 620 . 1 1 49 49 LYS HA H 1 4.633 0.05 . 1 . . . . 50 LYS HA . 7112 1 621 . 1 1 49 49 LYS HB2 H 1 1.848 0.05 . 2 . . . . 50 LYS HB2 . 7112 1 622 . 1 1 49 49 LYS HB3 H 1 1.675 0.05 . 2 . . . . 50 LYS HB3 . 7112 1 623 . 1 1 49 49 LYS HG2 H 1 1.367 0.05 . 2 . . . . 50 LYS HG2 . 7112 1 624 . 1 1 49 49 LYS HG3 H 1 1.428 0.05 . 2 . . . . 50 LYS HG3 . 7112 1 625 . 1 1 49 49 LYS HD2 H 1 1.734 0.05 . 2 . . . . 50 LYS HD . 7112 1 626 . 1 1 49 49 LYS HD3 H 1 1.734 0.05 . 2 . . . . 50 LYS HD . 7112 1 627 . 1 1 49 49 LYS HE2 H 1 3.016 0.05 . 2 . . . . 50 LYS HE . 7112 1 628 . 1 1 49 49 LYS HE3 H 1 3.016 0.05 . 2 . . . . 50 LYS HE . 7112 1 629 . 1 1 49 49 LYS C C 13 175.333 0.1 . 1 . . . . 50 LYS C . 7112 1 630 . 1 1 49 49 LYS CA C 13 53.822 0.1 . 1 . . . . 50 LYS CA . 7112 1 631 . 1 1 49 49 LYS CB C 13 35.837 0.1 . 1 . . . . 50 LYS CB . 7112 1 632 . 1 1 49 49 LYS CG C 13 24.317 0.1 . 1 . . . . 50 LYS CG . 7112 1 633 . 1 1 49 49 LYS CD C 13 29.214 0.1 . 1 . . . . 50 LYS CD . 7112 1 634 . 1 1 49 49 LYS CE C 13 41.737 0.1 . 1 . . . . 50 LYS CE . 7112 1 635 . 1 1 49 49 LYS N N 15 116.417 0.05 . 1 . . . . 50 LYS N . 7112 1 636 . 1 1 50 50 ARG H H 1 8.635 0.05 . 1 . . . . 51 ARG H . 7112 1 637 . 1 1 50 50 ARG HA H 1 3.960 0.05 . 1 . . . . 51 ARG HA . 7112 1 638 . 1 1 50 50 ARG HB2 H 1 1.721 0.05 . 2 . . . . 51 ARG HB2 . 7112 1 639 . 1 1 50 50 ARG HB3 H 1 1.609 0.05 . 2 . . . . 51 ARG HB3 . 7112 1 640 . 1 1 50 50 ARG HG2 H 1 1.570 0.05 . 2 . . . . 51 ARG HG . 7112 1 641 . 1 1 50 50 ARG HG3 H 1 1.570 0.05 . 2 . . . . 51 ARG HG . 7112 1 642 . 1 1 50 50 ARG HD2 H 1 3.104 0.05 . 2 . . . . 51 ARG HD . 7112 1 643 . 1 1 50 50 ARG HD3 H 1 3.104 0.05 . 2 . . . . 51 ARG HD . 7112 1 644 . 1 1 50 50 ARG C C 13 176.624 0.1 . 1 . . . . 51 ARG C . 7112 1 645 . 1 1 50 50 ARG CA C 13 58.263 0.1 . 1 . . . . 51 ARG CA . 7112 1 646 . 1 1 50 50 ARG CB C 13 29.735 0.1 . 1 . . . . 51 ARG CB . 7112 1 647 . 1 1 50 50 ARG CG C 13 25.129 0.1 . 1 . . . . 51 ARG CG . 7112 1 648 . 1 1 50 50 ARG CD C 13 42.304 0.1 . 1 . . . . 51 ARG CD . 7112 1 649 . 1 1 50 50 ARG N N 15 121.317 0.05 . 1 . . . . 51 ARG N . 7112 1 650 . 1 1 51 51 THR H H 1 6.997 0.05 . 1 . . . . 52 THR H . 7112 1 651 . 1 1 51 51 THR HA H 1 4.693 0.05 . 1 . . . . 52 THR HA . 7112 1 652 . 1 1 51 51 THR HB H 1 3.934 0.05 . 1 . . . . 52 THR HB . 7112 1 653 . 1 1 51 51 THR HG21 H 1 1.350 0.05 . 2 . . . . 52 THR HG2 . 7112 1 654 . 1 1 51 51 THR HG22 H 1 1.350 0.05 . 2 . . . . 52 THR HG2 . 7112 1 655 . 1 1 51 51 THR HG23 H 1 1.350 0.05 . 2 . . . . 52 THR HG2 . 7112 1 656 . 1 1 51 51 THR C C 13 172.712 0.1 . 1 . . . . 52 THR C . 7112 1 657 . 1 1 51 51 THR CA C 13 62.605 0.1 . 1 . . . . 52 THR CA . 7112 1 658 . 1 1 51 51 THR CB C 13 72.798 0.1 . 1 . . . . 52 THR CB . 7112 1 659 . 1 1 51 51 THR CG2 C 13 19.958 0.1 . 1 . . . . 52 THR CG2 . 7112 1 660 . 1 1 51 51 THR N N 15 117.065 0.05 . 1 . . . . 52 THR N . 7112 1 661 . 1 1 52 52 SER H H 1 8.891 0.05 . 1 . . . . 53 SER H . 7112 1 662 . 1 1 52 52 SER HA H 1 5.006 0.05 . 1 . . . . 53 SER HA . 7112 1 663 . 1 1 52 52 SER HB2 H 1 4.486 0.05 . 2 . . . . 53 SER HB2 . 7112 1 664 . 1 1 52 52 SER HB3 H 1 4.081 0.05 . 2 . . . . 53 SER HB3 . 7112 1 665 . 1 1 52 52 SER C C 13 174.445 0.1 . 1 . . . . 53 SER C . 7112 1 666 . 1 1 52 52 SER CA C 13 57.182 0.1 . 1 . . . . 53 SER CA . 7112 1 667 . 1 1 52 52 SER CB C 13 66.124 0.1 . 1 . . . . 53 SER CB . 7112 1 668 . 1 1 52 52 SER N N 15 123.345 0.05 . 1 . . . . 53 SER N . 7112 1 669 . 1 1 53 53 LEU H H 1 9.112 0.05 . 1 . . . . 54 LEU H . 7112 1 670 . 1 1 53 53 LEU HA H 1 3.390 0.05 . 1 . . . . 54 LEU HA . 7112 1 671 . 1 1 53 53 LEU HB2 H 1 1.964 0.05 . 2 . . . . 54 LEU HB2 . 7112 1 672 . 1 1 53 53 LEU HB3 H 1 1.866 0.05 . 2 . . . . 54 LEU HB3 . 7112 1 673 . 1 1 53 53 LEU HG H 1 1.494 0.05 . 1 . . . . 54 LEU HG . 7112 1 674 . 1 1 53 53 LEU HD11 H 1 1.038 0.05 . 2 . . . . 54 LEU HD1 . 7112 1 675 . 1 1 53 53 LEU HD12 H 1 1.038 0.05 . 2 . . . . 54 LEU HD1 . 7112 1 676 . 1 1 53 53 LEU HD13 H 1 1.038 0.05 . 2 . . . . 54 LEU HD1 . 7112 1 677 . 1 1 53 53 LEU HD21 H 1 1.143 0.05 . 2 . . . . 54 LEU HD2 . 7112 1 678 . 1 1 53 53 LEU HD22 H 1 1.143 0.05 . 2 . . . . 54 LEU HD2 . 7112 1 679 . 1 1 53 53 LEU HD23 H 1 1.143 0.05 . 2 . . . . 54 LEU HD2 . 7112 1 680 . 1 1 53 53 LEU C C 13 178.010 0.1 . 1 . . . . 54 LEU C . 7112 1 681 . 1 1 53 53 LEU CA C 13 58.498 0.1 . 1 . . . . 54 LEU CA . 7112 1 682 . 1 1 53 53 LEU CB C 13 41.493 0.1 . 1 . . . . 54 LEU CB . 7112 1 683 . 1 1 53 53 LEU CG C 13 27.516 0.1 . 1 . . . . 54 LEU CG . 7112 1 684 . 1 1 53 53 LEU CD1 C 13 24.045 0.1 . 1 . . . . 54 LEU CD1 . 7112 1 685 . 1 1 53 53 LEU CD2 C 13 26.069 0.1 . 1 . . . . 54 LEU CD2 . 7112 1 686 . 1 1 53 53 LEU N N 15 122.705 0.05 . 1 . . . . 54 LEU N . 7112 1 687 . 1 1 54 54 ALA H H 1 8.268 0.05 . 1 . . . . 55 ALA H . 7112 1 688 . 1 1 54 54 ALA HA H 1 3.886 0.05 . 1 . . . . 55 ALA HA . 7112 1 689 . 1 1 54 54 ALA HB1 H 1 1.380 0.05 . 2 . . . . 55 ALA HB . 7112 1 690 . 1 1 54 54 ALA HB2 H 1 1.380 0.05 . 2 . . . . 55 ALA HB . 7112 1 691 . 1 1 54 54 ALA HB3 H 1 1.380 0.05 . 2 . . . . 55 ALA HB . 7112 1 692 . 1 1 54 54 ALA C C 13 180.947 0.1 . 1 . . . . 55 ALA C . 7112 1 693 . 1 1 54 54 ALA CA C 13 55.299 0.1 . 1 . . . . 55 ALA CA . 7112 1 694 . 1 1 54 54 ALA CB C 13 18.208 0.1 . 1 . . . . 55 ALA CB . 7112 1 695 . 1 1 54 54 ALA N N 15 119.194 0.05 . 1 . . . . 55 ALA N . 7112 1 696 . 1 1 55 55 GLY H H 1 7.896 0.05 . 1 . . . . 56 GLY H . 7112 1 697 . 1 1 55 55 GLY HA2 H 1 3.599 0.05 . 2 . . . . 56 GLY HA1 . 7112 1 698 . 1 1 55 55 GLY HA3 H 1 3.480 0.05 . 2 . . . . 56 GLY HA2 . 7112 1 699 . 1 1 55 55 GLY C C 13 176.520 0.1 . 1 . . . . 56 GLY C . 7112 1 700 . 1 1 55 55 GLY CA C 13 46.738 0.1 . 1 . . . . 56 GLY CA . 7112 1 701 . 1 1 55 55 GLY N N 15 106.753 0.05 . 1 . . . . 56 GLY N . 7112 1 702 . 1 1 56 56 MET H H 1 7.483 0.05 . 1 . . . . 57 MET H . 7112 1 703 . 1 1 56 56 MET HA H 1 3.900 0.05 . 1 . . . . 57 MET HA . 7112 1 704 . 1 1 56 56 MET HB2 H 1 0.530 0.05 . 2 . . . . 57 MET HB2 . 7112 1 705 . 1 1 56 56 MET HB3 H 1 -0.443 0.05 . 2 . . . . 57 MET HB3 . 7112 1 706 . 1 1 56 56 MET HG2 H 1 -0.405 0.05 . 2 . . . . 57 MET HG2 . 7112 1 707 . 1 1 56 56 MET HG3 H 1 1.309 0.05 . 2 . . . . 57 MET HG3 . 7112 1 708 . 1 1 56 56 MET HE1 H 1 1.372 0.05 . 2 . . . . 57 MET HE . 7112 1 709 . 1 1 56 56 MET HE2 H 1 1.372 0.05 . 2 . . . . 57 MET HE . 7112 1 710 . 1 1 56 56 MET HE3 H 1 1.372 0.05 . 2 . . . . 57 MET HE . 7112 1 711 . 1 1 56 56 MET C C 13 178.771 0.1 . 1 . . . . 57 MET C . 7112 1 712 . 1 1 56 56 MET CA C 13 55.487 0.1 . 1 . . . . 57 MET CA . 7112 1 713 . 1 1 56 56 MET CB C 13 25.708 0.1 . 1 . . . . 57 MET CB . 7112 1 714 . 1 1 56 56 MET CG C 13 29.152 0.1 . 1 . . . . 57 MET CG . 7112 1 715 . 1 1 56 56 MET CE C 13 17.090 0.1 . 1 . . . . 57 MET CE . 7112 1 716 . 1 1 56 56 MET N N 15 123.042 0.05 . 1 . . . . 57 MET N . 7112 1 717 . 1 1 57 57 LYS H H 1 7.981 0.05 . 1 . . . . 58 LYS H . 7112 1 718 . 1 1 57 57 LYS HA H 1 4.005 0.05 . 1 . . . . 58 LYS HA . 7112 1 719 . 1 1 57 57 LYS HB2 H 1 1.869 0.05 . 2 . . . . 58 LYS HB2 . 7112 1 720 . 1 1 57 57 LYS HB3 H 1 1.709 0.05 . 2 . . . . 58 LYS HB3 . 7112 1 721 . 1 1 57 57 LYS HG2 H 1 1.666 0.05 . 2 . . . . 58 LYS HG . 7112 1 722 . 1 1 57 57 LYS HG3 H 1 1.666 0.05 . 2 . . . . 58 LYS HG . 7112 1 723 . 1 1 57 57 LYS HD2 H 1 1.798 0.05 . 2 . . . . 58 LYS HD . 7112 1 724 . 1 1 57 57 LYS HD3 H 1 1.798 0.05 . 2 . . . . 58 LYS HD . 7112 1 725 . 1 1 57 57 LYS HE2 H 1 3.024 0.05 . 2 . . . . 58 LYS HE2 . 7112 1 726 . 1 1 57 57 LYS HE3 H 1 3.181 0.05 . 2 . . . . 58 LYS HE3 . 7112 1 727 . 1 1 57 57 LYS C C 13 178.890 0.1 . 1 . . . . 58 LYS C . 7112 1 728 . 1 1 57 57 LYS CA C 13 59.073 0.1 . 1 . . . . 58 LYS CA . 7112 1 729 . 1 1 57 57 LYS CB C 13 32.730 0.1 . 1 . . . . 58 LYS CB . 7112 1 730 . 1 1 57 57 LYS CG C 13 26.032 0.1 . 1 . . . . 58 LYS CG . 7112 1 731 . 1 1 57 57 LYS CD C 13 29.968 0.1 . 1 . . . . 58 LYS CD . 7112 1 732 . 1 1 57 57 LYS CE C 13 42.132 0.1 . 1 . . . . 58 LYS CE . 7112 1 733 . 1 1 57 57 LYS N N 15 118.493 0.05 . 1 . . . . 58 LYS N . 7112 1 734 . 1 1 58 58 LYS H H 1 6.934 0.05 . 1 . . . . 59 LYS H . 7112 1 735 . 1 1 58 58 LYS HA H 1 3.966 0.05 . 1 . . . . 59 LYS HA . 7112 1 736 . 1 1 58 58 LYS HB2 H 1 1.768 0.05 . 2 . . . . 59 LYS HB2 . 7112 1 737 . 1 1 58 58 LYS HB3 H 1 1.738 0.05 . 2 . . . . 59 LYS HB3 . 7112 1 738 . 1 1 58 58 LYS HG2 H 1 1.395 0.05 . 2 . . . . 59 LYS HG . 7112 1 739 . 1 1 58 58 LYS HG3 H 1 1.395 0.05 . 2 . . . . 59 LYS HG . 7112 1 740 . 1 1 58 58 LYS HD2 H 1 1.639 0.05 . 2 . . . . 59 LYS HD . 7112 1 741 . 1 1 58 58 LYS HD3 H 1 1.639 0.05 . 2 . . . . 59 LYS HD . 7112 1 742 . 1 1 58 58 LYS HE2 H 1 2.952 0.05 . 2 . . . . 59 LYS HE . 7112 1 743 . 1 1 58 58 LYS HE3 H 1 2.952 0.05 . 2 . . . . 59 LYS HE . 7112 1 744 . 1 1 58 58 LYS C C 13 177.755 0.1 . 1 . . . . 59 LYS C . 7112 1 745 . 1 1 58 58 LYS CA C 13 57.936 0.1 . 1 . . . . 59 LYS CA . 7112 1 746 . 1 1 58 58 LYS CB C 13 32.736 0.1 . 1 . . . . 59 LYS CB . 7112 1 747 . 1 1 58 58 LYS CG C 13 25.119 0.1 . 1 . . . . 59 LYS CG . 7112 1 748 . 1 1 58 58 LYS CD C 13 29.216 0.1 . 1 . . . . 59 LYS CD . 7112 1 749 . 1 1 58 58 LYS CE C 13 42.123 0.1 . 1 . . . . 59 LYS CE . 7112 1 750 . 1 1 58 58 LYS N N 15 114.928 0.05 . 1 . . . . 59 LYS N . 7112 1 751 . 1 1 59 59 LEU H H 1 7.161 0.05 . 1 . . . . 60 LEU H . 7112 1 752 . 1 1 59 59 LEU HA H 1 3.942 0.05 . 1 . . . . 60 LEU HA . 7112 1 753 . 1 1 59 59 LEU HB2 H 1 1.701 0.05 . 2 . . . . 60 LEU HB2 . 7112 1 754 . 1 1 59 59 LEU HB3 H 1 1.230 0.05 . 2 . . . . 60 LEU HB3 . 7112 1 755 . 1 1 59 59 LEU HG H 1 1.569 0.05 . 1 . . . . 60 LEU HG . 7112 1 756 . 1 1 59 59 LEU HD11 H 1 0.534 0.05 . 2 . . . . 60 LEU HD1 . 7112 1 757 . 1 1 59 59 LEU HD12 H 1 0.534 0.05 . 2 . . . . 60 LEU HD1 . 7112 1 758 . 1 1 59 59 LEU HD13 H 1 0.534 0.05 . 2 . . . . 60 LEU HD1 . 7112 1 759 . 1 1 59 59 LEU HD21 H 1 0.191 0.05 . 2 . . . . 60 LEU HD2 . 7112 1 760 . 1 1 59 59 LEU HD22 H 1 0.191 0.05 . 2 . . . . 60 LEU HD2 . 7112 1 761 . 1 1 59 59 LEU HD23 H 1 0.191 0.05 . 2 . . . . 60 LEU HD2 . 7112 1 762 . 1 1 59 59 LEU C C 13 178.138 0.1 . 1 . . . . 60 LEU C . 7112 1 763 . 1 1 59 59 LEU CA C 13 56.572 0.1 . 1 . . . . 60 LEU CA . 7112 1 764 . 1 1 59 59 LEU CB C 13 42.468 0.1 . 1 . . . . 60 LEU CB . 7112 1 765 . 1 1 59 59 LEU CG C 13 25.515 0.1 . 1 . . . . 60 LEU CG . 7112 1 766 . 1 1 59 59 LEU CD1 C 13 25.577 0.1 . 1 . . . . 60 LEU CD1 . 7112 1 767 . 1 1 59 59 LEU CD2 C 13 22.022 0.1 . 1 . . . . 60 LEU CD2 . 7112 1 768 . 1 1 59 59 LEU N N 15 118.282 0.05 . 1 . . . . 60 LEU N . 7112 1 769 . 1 1 60 60 ILE H H 1 7.159 0.05 . 1 . . . . 61 ILE H . 7112 1 770 . 1 1 60 60 ILE HA H 1 4.207 0.05 . 1 . . . . 61 ILE HA . 7112 1 771 . 1 1 60 60 ILE HB H 1 1.901 0.05 . 1 . . . . 61 ILE HB . 7112 1 772 . 1 1 60 60 ILE HG12 H 1 0.803 0.05 . 2 . . . . 61 ILE HG11 . 7112 1 773 . 1 1 60 60 ILE HG13 H 1 1.125 0.05 . 2 . . . . 61 ILE HG12 . 7112 1 774 . 1 1 60 60 ILE HG21 H 1 0.621 0.05 . 2 . . . . 61 ILE HG2 . 7112 1 775 . 1 1 60 60 ILE HG22 H 1 0.621 0.05 . 2 . . . . 61 ILE HG2 . 7112 1 776 . 1 1 60 60 ILE HG23 H 1 0.621 0.05 . 2 . . . . 61 ILE HG2 . 7112 1 777 . 1 1 60 60 ILE HD11 H 1 0.064 0.05 . 2 . . . . 61 ILE HD1 . 7112 1 778 . 1 1 60 60 ILE HD12 H 1 0.064 0.05 . 2 . . . . 61 ILE HD1 . 7112 1 779 . 1 1 60 60 ILE HD13 H 1 0.064 0.05 . 2 . . . . 61 ILE HD1 . 7112 1 780 . 1 1 60 60 ILE C C 13 171.388 0.1 . 1 . . . . 61 ILE C . 7112 1 781 . 1 1 60 60 ILE CA C 13 58.526 0.1 . 1 . . . . 61 ILE CA . 7112 1 782 . 1 1 60 60 ILE CB C 13 37.809 0.1 . 1 . . . . 61 ILE CB . 7112 1 783 . 1 1 60 60 ILE CG1 C 13 25.201 0.1 . 1 . . . . 61 ILE CG1 . 7112 1 784 . 1 1 60 60 ILE CG2 C 13 20.332 0.1 . 1 . . . . 61 ILE CG2 . 7112 1 785 . 1 1 60 60 ILE CD1 C 13 13.006 0.1 . 1 . . . . 61 ILE CD1 . 7112 1 786 . 1 1 60 60 ILE N N 15 114.354 0.05 . 1 . . . . 61 ILE N . 7112 1 787 . 1 1 61 61 PRO HA H 1 4.560 0.05 . 1 . . . . 62 PRO HA . 7112 1 788 . 1 1 61 61 PRO HB2 H 1 2.347 0.05 . 2 . . . . 62 PRO HB2 . 7112 1 789 . 1 1 61 61 PRO HB3 H 1 1.874 0.05 . 2 . . . . 62 PRO HB3 . 7112 1 790 . 1 1 61 61 PRO HG2 H 1 1.932 0.05 . 2 . . . . 62 PRO HG2 . 7112 1 791 . 1 1 61 61 PRO HG3 H 1 2.086 0.05 . 2 . . . . 62 PRO HG3 . 7112 1 792 . 1 1 61 61 PRO HD2 H 1 3.295 0.05 . 2 . . . . 62 PRO HD2 . 7112 1 793 . 1 1 61 61 PRO HD3 H 1 3.511 0.05 . 2 . . . . 62 PRO HD3 . 7112 1 794 . 1 1 61 61 PRO C C 13 178.199 0.1 . 1 . . . . 62 PRO C . 7112 1 795 . 1 1 61 61 PRO CA C 13 64.278 0.1 . 1 . . . . 62 PRO CA . 7112 1 796 . 1 1 61 61 PRO CB C 13 31.897 0.1 . 1 . . . . 62 PRO CB . 7112 1 797 . 1 1 61 61 PRO CG C 13 27.596 0.1 . 1 . . . . 62 PRO CG . 7112 1 798 . 1 1 61 61 PRO CD C 13 50.100 0.1 . 1 . . . . 62 PRO CD . 7112 1 799 . 1 1 62 62 GLY H H 1 8.783 0.05 . 1 . . . . 63 GLY H . 7112 1 800 . 1 1 62 62 GLY HA2 H 1 4.208 0.05 . 2 . . . . 63 GLY HA1 . 7112 1 801 . 1 1 62 62 GLY HA3 H 1 3.772 0.05 . 2 . . . . 63 GLY HA2 . 7112 1 802 . 1 1 62 62 GLY C C 13 174.859 0.1 . 1 . . . . 63 GLY C . 7112 1 803 . 1 1 62 62 GLY CA C 13 42.875 0.1 . 1 . . . . 63 GLY CA . 7112 1 804 . 1 1 62 62 GLY N N 15 110.892 0.05 . 1 . . . . 63 GLY N . 7112 1 805 . 1 1 63 63 ALA H H 1 7.694 0.05 . 1 . . . . 64 ALA H . 7112 1 806 . 1 1 63 63 ALA HA H 1 4.530 0.05 . 1 . . . . 64 ALA HA . 7112 1 807 . 1 1 63 63 ALA HB1 H 1 0.926 0.05 . 2 . . . . 64 ALA HB . 7112 1 808 . 1 1 63 63 ALA HB2 H 1 0.926 0.05 . 2 . . . . 64 ALA HB . 7112 1 809 . 1 1 63 63 ALA HB3 H 1 0.926 0.05 . 2 . . . . 64 ALA HB . 7112 1 810 . 1 1 63 63 ALA C C 13 176.242 0.1 . 1 . . . . 64 ALA C . 7112 1 811 . 1 1 63 63 ALA CA C 13 52.128 0.1 . 1 . . . . 64 ALA CA . 7112 1 812 . 1 1 63 63 ALA CB C 13 19.376 0.1 . 1 . . . . 64 ALA CB . 7112 1 813 . 1 1 63 63 ALA N N 15 122.839 0.05 . 1 . . . . 64 ALA N . 7112 1 814 . 1 1 64 64 HIS H H 1 8.765 0.05 . 1 . . . . 65 HIS H . 7112 1 815 . 1 1 64 64 HIS HA H 1 4.955 0.05 . 1 . . . . 65 HIS HA . 7112 1 816 . 1 1 64 64 HIS HB2 H 1 3.176 0.05 . 2 . . . . 65 HIS HB2 . 7112 1 817 . 1 1 64 64 HIS HB3 H 1 3.111 0.05 . 2 . . . . 65 HIS HB3 . 7112 1 818 . 1 1 64 64 HIS HD2 H 1 7.120 0.05 . 2 . . . . 65 HIS HD2 . 7112 1 819 . 1 1 64 64 HIS HE1 H 1 8.184 0.05 . 2 . . . . 65 HIS HE1 . 7112 1 820 . 1 1 64 64 HIS C C 13 174.647 0.1 . 1 . . . . 65 HIS C . 7112 1 821 . 1 1 64 64 HIS CA C 13 55.108 0.1 . 1 . . . . 65 HIS CA . 7112 1 822 . 1 1 64 64 HIS CB C 13 31.142 0.1 . 1 . . . . 65 HIS CB . 7112 1 823 . 1 1 64 64 HIS CD2 C 13 119.508 0.1 . 1 . . . . 65 HIS CD2 . 7112 1 824 . 1 1 64 64 HIS CE1 C 13 138.001 0.1 . 1 . . . . 65 HIS CE1 . 7112 1 825 . 1 1 64 64 HIS N N 15 119.552 0.05 . 1 . . . . 65 HIS N . 7112 1 826 . 1 1 64 64 HIS ND1 N 15 211.661 0.05 . 1 . . . . 65 HIS ND1 . 7112 1 827 . 1 1 64 64 HIS NE2 N 15 176.738 0.05 . 1 . . . . 65 HIS NE2 . 7112 1 828 . 1 1 65 65 PHE H H 1 8.832 0.05 . 1 . . . . 66 PHE H . 7112 1 829 . 1 1 65 65 PHE HA H 1 5.600 0.05 . 1 . . . . 66 PHE HA . 7112 1 830 . 1 1 65 65 PHE HB2 H 1 3.290 0.05 . 2 . . . . 66 PHE HB2 . 7112 1 831 . 1 1 65 65 PHE HB3 H 1 2.716 0.05 . 2 . . . . 66 PHE HB3 . 7112 1 832 . 1 1 65 65 PHE HD1 H 1 7.104 0.05 . 3 . . . . 66 PHE HD . 7112 1 833 . 1 1 65 65 PHE HD2 H 1 7.104 0.05 . 3 . . . . 66 PHE HD . 7112 1 834 . 1 1 65 65 PHE HE1 H 1 6.690 0.05 . 3 . . . . 66 PHE HE . 7112 1 835 . 1 1 65 65 PHE HE2 H 1 6.690 0.05 . 3 . . . . 66 PHE HE . 7112 1 836 . 1 1 65 65 PHE HZ H 1 6.836 0.05 . 1 . . . . 66 PHE HZ . 7112 1 837 . 1 1 65 65 PHE C C 13 175.762 0.1 . 1 . . . . 66 PHE C . 7112 1 838 . 1 1 65 65 PHE CA C 13 58.014 0.1 . 1 . . . . 66 PHE CA . 7112 1 839 . 1 1 65 65 PHE CB C 13 43.522 0.1 . 1 . . . . 66 PHE CB . 7112 1 840 . 1 1 65 65 PHE CD1 C 13 131.751 0.1 . 3 . . . . 66 PHE CD1 . 7112 1 841 . 1 1 65 65 PHE CE1 C 13 131.369 0.1 . 3 . . . . 66 PHE CE1 . 7112 1 842 . 1 1 65 65 PHE CZ C 13 131.107 0.1 . 1 . . . . 66 PHE CZ . 7112 1 843 . 1 1 65 65 PHE N N 15 124.631 0.05 . 1 . . . . 66 PHE N . 7112 1 844 . 1 1 66 66 GLU H H 1 9.324 0.05 . 1 . . . . 67 GLU H . 7112 1 845 . 1 1 66 66 GLU HA H 1 4.886 0.05 . 1 . . . . 67 GLU HA . 7112 1 846 . 1 1 66 66 GLU HB2 H 1 2.104 0.05 . 2 . . . . 67 GLU HB . 7112 1 847 . 1 1 66 66 GLU HB3 H 1 2.104 0.05 . 2 . . . . 67 GLU HB . 7112 1 848 . 1 1 66 66 GLU HG2 H 1 2.369 0.05 . 2 . . . . 67 GLU HG . 7112 1 849 . 1 1 66 66 GLU HG3 H 1 2.369 0.05 . 2 . . . . 67 GLU HG . 7112 1 850 . 1 1 66 66 GLU C C 13 174.726 0.1 . 1 . . . . 67 GLU C . 7112 1 851 . 1 1 66 66 GLU CA C 13 55.552 0.1 . 1 . . . . 67 GLU CA . 7112 1 852 . 1 1 66 66 GLU CB C 13 34.355 0.1 . 1 . . . . 67 GLU CB . 7112 1 853 . 1 1 66 66 GLU CG C 13 36.258 0.1 . 1 . . . . 67 GLU CG . 7112 1 854 . 1 1 66 66 GLU N N 15 119.294 0.05 . 1 . . . . 67 GLU N . 7112 1 855 . 1 1 67 67 LYS H H 1 8.951 0.05 . 1 . . . . 68 LYS H . 7112 1 856 . 1 1 67 67 LYS HA H 1 3.823 0.05 . 1 . . . . 68 LYS HA . 7112 1 857 . 1 1 67 67 LYS HB2 H 1 1.350 0.05 . 2 . . . . 68 LYS HB2 . 7112 1 858 . 1 1 67 67 LYS HB3 H 1 1.239 0.05 . 2 . . . . 68 LYS HB3 . 7112 1 859 . 1 1 67 67 LYS HG2 H 1 0.564 0.05 . 2 . . . . 68 LYS HG . 7112 1 860 . 1 1 67 67 LYS HG3 H 1 0.564 0.05 . 2 . . . . 68 LYS HG . 7112 1 861 . 1 1 67 67 LYS HD2 H 1 1.473 0.05 . 2 . . . . 68 LYS HD . 7112 1 862 . 1 1 67 67 LYS HD3 H 1 1.473 0.05 . 2 . . . . 68 LYS HD . 7112 1 863 . 1 1 67 67 LYS HE2 H 1 2.869 0.05 . 2 . . . . 68 LYS HE . 7112 1 864 . 1 1 67 67 LYS HE3 H 1 2.869 0.05 . 2 . . . . 68 LYS HE . 7112 1 865 . 1 1 67 67 LYS C C 13 176.500 0.1 . 1 . . . . 68 LYS C . 7112 1 866 . 1 1 67 67 LYS CA C 13 57.023 0.1 . 1 . . . . 68 LYS CA . 7112 1 867 . 1 1 67 67 LYS CB C 13 32.699 0.1 . 1 . . . . 68 LYS CB . 7112 1 868 . 1 1 67 67 LYS CG C 13 24.921 0.1 . 1 . . . . 68 LYS CG . 7112 1 869 . 1 1 67 67 LYS CD C 13 29.445 0.1 . 1 . . . . 68 LYS CD . 7112 1 870 . 1 1 67 67 LYS CE C 13 42.066 0.1 . 1 . . . . 68 LYS CE . 7112 1 871 . 1 1 67 67 LYS N N 15 127.048 0.05 . 1 . . . . 68 LYS N . 7112 1 872 . 1 1 68 68 ARG HA H 1 4.560 0.05 . 1 . . . . 69 ARG HA . 7112 1 873 . 1 1 68 68 ARG HB2 H 1 1.787 0.05 . 2 . . . . 69 ARG HB . 7112 1 874 . 1 1 68 68 ARG HB3 H 1 1.787 0.05 . 2 . . . . 69 ARG HB . 7112 1 875 . 1 1 68 68 ARG HG2 H 1 1.625 0.05 . 2 . . . . 69 ARG HG . 7112 1 876 . 1 1 68 68 ARG HG3 H 1 1.625 0.05 . 2 . . . . 69 ARG HG . 7112 1 877 . 1 1 68 68 ARG HD2 H 1 3.138 0.05 . 2 . . . . 69 ARG HD . 7112 1 878 . 1 1 68 68 ARG HD3 H 1 3.138 0.05 . 2 . . . . 69 ARG HD . 7112 1 879 . 1 1 68 68 ARG C C 13 175.260 0.1 . 1 . . . . 69 ARG C . 7112 1 880 . 1 1 68 68 ARG CA C 13 55.245 0.1 . 1 . . . . 69 ARG CA . 7112 1 881 . 1 1 68 68 ARG CB C 13 31.731 0.1 . 1 . . . . 69 ARG CB . 7112 1 882 . 1 1 68 68 ARG CG C 13 27.306 0.1 . 1 . . . . 69 ARG CG . 7112 1 883 . 1 1 68 68 ARG CD C 13 43.315 0.1 . 1 . . . . 69 ARG CD . 7112 1 884 . 1 1 69 69 ARG H H 1 8.635 0.05 . 1 . . . . 70 ARG H . 7112 1 885 . 1 1 69 69 ARG HA H 1 4.680 0.05 . 1 . . . . 70 ARG HA . 7112 1 886 . 1 1 69 69 ARG HB2 H 1 1.753 0.05 . 2 . . . . 70 ARG HB . 7112 1 887 . 1 1 69 69 ARG HB3 H 1 1.753 0.05 . 2 . . . . 70 ARG HB . 7112 1 888 . 1 1 69 69 ARG HG2 H 1 1.665 0.05 . 2 . . . . 70 ARG HG . 7112 1 889 . 1 1 69 69 ARG HG3 H 1 1.665 0.05 . 2 . . . . 70 ARG HG . 7112 1 890 . 1 1 69 69 ARG HD2 H 1 3.213 0.05 . 2 . . . . 70 ARG HD . 7112 1 891 . 1 1 69 69 ARG HD3 H 1 3.213 0.05 . 2 . . . . 70 ARG HD . 7112 1 892 . 1 1 69 69 ARG C C 13 176.407 0.1 . 1 . . . . 70 ARG C . 7112 1 893 . 1 1 69 69 ARG CA C 13 55.890 0.1 . 1 . . . . 70 ARG CA . 7112 1 894 . 1 1 69 69 ARG CB C 13 31.480 0.1 . 1 . . . . 70 ARG CB . 7112 1 895 . 1 1 69 69 ARG CG C 13 27.479 0.1 . 1 . . . . 70 ARG CG . 7112 1 896 . 1 1 69 69 ARG CD C 13 43.463 0.1 . 1 . . . . 70 ARG CD . 7112 1 897 . 1 1 69 69 ARG N N 15 124.825 0.05 . 1 . . . . 70 ARG N . 7112 1 898 . 1 1 70 70 GLY H H 1 8.459 0.05 . 1 . . . . 71 GLY H . 7112 1 899 . 1 1 70 70 GLY HA2 H 1 4.214 0.05 . 2 . . . . 71 GLY HA1 . 7112 1 900 . 1 1 70 70 GLY HA3 H 1 4.113 0.05 . 2 . . . . 71 GLY HA2 . 7112 1 901 . 1 1 70 70 GLY C C 13 173.815 0.1 . 1 . . . . 71 GLY C . 7112 1 902 . 1 1 70 70 GLY CA C 13 45.310 0.1 . 1 . . . . 71 GLY CA . 7112 1 903 . 1 1 70 70 GLY N N 15 111.344 0.05 . 1 . . . . 71 GLY N . 7112 1 904 . 1 1 71 71 THR H H 1 8.416 0.05 . 1 . . . . 72 THR H . 7112 1 905 . 1 1 71 71 THR HA H 1 4.532 0.05 . 1 . . . . 72 THR HA . 7112 1 906 . 1 1 71 71 THR HB H 1 4.397 0.05 . 1 . . . . 72 THR HB . 7112 1 907 . 1 1 71 71 THR HG21 H 1 1.239 0.05 . 2 . . . . 72 THR HG2 . 7112 1 908 . 1 1 71 71 THR HG22 H 1 1.239 0.05 . 2 . . . . 72 THR HG2 . 7112 1 909 . 1 1 71 71 THR HG23 H 1 1.239 0.05 . 2 . . . . 72 THR HG2 . 7112 1 910 . 1 1 71 71 THR C C 13 175.350 0.1 . 1 . . . . 72 THR C . 7112 1 911 . 1 1 71 71 THR CA C 13 61.418 0.1 . 1 . . . . 72 THR CA . 7112 1 912 . 1 1 71 71 THR CB C 13 70.623 0.1 . 1 . . . . 72 THR CB . 7112 1 913 . 1 1 71 71 THR CG2 C 13 21.929 0.1 . 1 . . . . 72 THR CG2 . 7112 1 914 . 1 1 71 71 THR N N 15 113.326 0.05 . 1 . . . . 72 THR N . 7112 1 915 . 1 1 72 72 GLN H H 1 8.922 0.05 . 1 . . . . 73 GLN H . 7112 1 916 . 1 1 72 72 GLN HA H 1 4.105 0.05 . 1 . . . . 73 GLN HA . 7112 1 917 . 1 1 72 72 GLN HB2 H 1 2.142 0.05 . 2 . . . . 73 GLN HB2 . 7112 1 918 . 1 1 72 72 GLN HB3 H 1 2.059 0.05 . 2 . . . . 73 GLN HB3 . 7112 1 919 . 1 1 72 72 GLN HG2 H 1 2.401 0.05 . 2 . . . . 73 GLN HG . 7112 1 920 . 1 1 72 72 GLN HG3 H 1 2.401 0.05 . 2 . . . . 73 GLN HG . 7112 1 921 . 1 1 72 72 GLN HE21 H 1 7.757 0.05 . 2 . . . . 73 GLN HE21 . 7112 1 922 . 1 1 72 72 GLN HE22 H 1 6.816 0.05 . 2 . . . . 73 GLN HE22 . 7112 1 923 . 1 1 72 72 GLN C C 13 177.181 0.1 . 1 . . . . 73 GLN C . 7112 1 924 . 1 1 72 72 GLN CA C 13 58.045 0.1 . 1 . . . . 73 GLN CA . 7112 1 925 . 1 1 72 72 GLN CB C 13 29.007 0.1 . 1 . . . . 73 GLN CB . 7112 1 926 . 1 1 72 72 GLN CG C 13 33.965 0.1 . 1 . . . . 73 GLN CG . 7112 1 927 . 1 1 72 72 GLN N N 15 122.735 0.05 . 1 . . . . 73 GLN N . 7112 1 928 . 1 1 72 72 GLN NE2 N 15 113.062 0.05 . 1 . . . . 73 GLN NE2 . 7112 1 929 . 1 1 73 73 GLY H H 1 8.643 0.05 . 1 . . . . 74 GLY H . 7112 1 930 . 1 1 73 73 GLY HA2 H 1 4.002 0.05 . 2 . . . . 74 GLY HA1 . 7112 1 931 . 1 1 73 73 GLY HA3 H 1 3.819 0.05 . 2 . . . . 74 GLY HA2 . 7112 1 932 . 1 1 73 73 GLY C C 13 175.556 0.1 . 1 . . . . 74 GLY C . 7112 1 933 . 1 1 73 73 GLY CA C 13 46.058 0.1 . 1 . . . . 74 GLY CA . 7112 1 934 . 1 1 73 73 GLY N N 15 109.366 0.05 . 1 . . . . 74 GLY N . 7112 1 935 . 1 1 74 74 GLU H H 1 7.985 0.05 . 1 . . . . 75 GLU H . 7112 1 936 . 1 1 74 74 GLU HA H 1 4.161 0.05 . 1 . . . . 75 GLU HA . 7112 1 937 . 1 1 74 74 GLU HB2 H 1 1.989 0.05 . 2 . . . . 75 GLU HB . 7112 1 938 . 1 1 74 74 GLU HB3 H 1 1.989 0.05 . 2 . . . . 75 GLU HB . 7112 1 939 . 1 1 74 74 GLU HG2 H 1 2.289 0.05 . 2 . . . . 75 GLU HG . 7112 1 940 . 1 1 74 74 GLU HG3 H 1 2.289 0.05 . 2 . . . . 75 GLU HG . 7112 1 941 . 1 1 74 74 GLU C C 13 177.450 0.1 . 1 . . . . 75 GLU C . 7112 1 942 . 1 1 74 74 GLU CA C 13 57.474 0.1 . 1 . . . . 75 GLU CA . 7112 1 943 . 1 1 74 74 GLU CB C 13 30.360 0.1 . 1 . . . . 75 GLU CB . 7112 1 944 . 1 1 74 74 GLU CG C 13 36.442 0.1 . 1 . . . . 75 GLU CG . 7112 1 945 . 1 1 74 74 GLU N N 15 121.375 0.05 . 1 . . . . 75 GLU N . 7112 1 946 . 1 1 75 75 ALA H H 1 8.147 0.05 . 1 . . . . 76 ALA H . 7112 1 947 . 1 1 75 75 ALA HA H 1 4.075 0.05 . 1 . . . . 76 ALA HA . 7112 1 948 . 1 1 75 75 ALA HB1 H 1 1.128 0.05 . 2 . . . . 76 ALA HB . 7112 1 949 . 1 1 75 75 ALA HB2 H 1 1.128 0.05 . 2 . . . . 76 ALA HB . 7112 1 950 . 1 1 75 75 ALA HB3 H 1 1.128 0.05 . 2 . . . . 76 ALA HB . 7112 1 951 . 1 1 75 75 ALA C C 13 178.804 0.1 . 1 . . . . 76 ALA C . 7112 1 952 . 1 1 75 75 ALA CA C 13 53.551 0.1 . 1 . . . . 76 ALA CA . 7112 1 953 . 1 1 75 75 ALA CB C 13 18.480 0.1 . 1 . . . . 76 ALA CB . 7112 1 954 . 1 1 75 75 ALA N N 15 124.043 0.05 . 1 . . . . 76 ALA N . 7112 1 955 . 1 1 76 76 ARG H H 1 8.222 0.05 . 1 . . . . 77 ARG H . 7112 1 956 . 1 1 76 76 ARG HA H 1 3.841 0.05 . 1 . . . . 77 ARG HA . 7112 1 957 . 1 1 76 76 ARG HB2 H 1 1.760 0.05 . 2 . . . . 77 ARG HB . 7112 1 958 . 1 1 76 76 ARG HB3 H 1 1.760 0.05 . 2 . . . . 77 ARG HB . 7112 1 959 . 1 1 76 76 ARG HG2 H 1 1.720 0.05 . 2 . . . . 77 ARG HG . 7112 1 960 . 1 1 76 76 ARG HG3 H 1 1.720 0.05 . 2 . . . . 77 ARG HG . 7112 1 961 . 1 1 76 76 ARG HD2 H 1 3.057 0.05 . 2 . . . . 77 ARG HD . 7112 1 962 . 1 1 76 76 ARG HD3 H 1 3.057 0.05 . 2 . . . . 77 ARG HD . 7112 1 963 . 1 1 76 76 ARG C C 13 174.391 0.1 . 1 . . . . 77 ARG C . 7112 1 964 . 1 1 76 76 ARG CA C 13 58.199 0.1 . 1 . . . . 77 ARG CA . 7112 1 965 . 1 1 76 76 ARG CB C 13 30.371 0.1 . 1 . . . . 77 ARG CB . 7112 1 966 . 1 1 76 76 ARG CG C 13 30.371 0.1 . 1 . . . . 77 ARG CG . 7112 1 967 . 1 1 76 76 ARG CD C 13 43.546 0.1 . 1 . . . . 77 ARG CD . 7112 1 968 . 1 1 76 76 ARG N N 15 120.186 0.05 . 1 . . . . 77 ARG N . 7112 1 969 . 1 1 77 77 ALA H H 1 7.922 0.05 . 1 . . . . 78 ALA H . 7112 1 970 . 1 1 77 77 ALA HA H 1 4.195 0.05 . 1 . . . . 78 ALA HA . 7112 1 971 . 1 1 77 77 ALA HB1 H 1 1.321 0.05 . 2 . . . . 78 ALA HB . 7112 1 972 . 1 1 77 77 ALA HB2 H 1 1.321 0.05 . 2 . . . . 78 ALA HB . 7112 1 973 . 1 1 77 77 ALA HB3 H 1 1.321 0.05 . 2 . . . . 78 ALA HB . 7112 1 974 . 1 1 77 77 ALA C C 13 178.043 0.1 . 1 . . . . 78 ALA C . 7112 1 975 . 1 1 77 77 ALA CA C 13 53.004 0.1 . 1 . . . . 78 ALA CA . 7112 1 976 . 1 1 77 77 ALA CB C 13 18.570 0.1 . 1 . . . . 78 ALA CB . 7112 1 977 . 1 1 77 77 ALA N N 15 122.943 0.05 . 1 . . . . 78 ALA N . 7112 1 978 . 1 1 78 78 TYR H H 1 7.764 0.05 . 1 . . . . 79 TYR H . 7112 1 979 . 1 1 78 78 TYR HA H 1 4.293 0.05 . 1 . . . . 79 TYR HA . 7112 1 980 . 1 1 78 78 TYR HB2 H 1 2.834 0.05 . 2 . . . . 79 TYR HB2 . 7112 1 981 . 1 1 78 78 TYR HB3 H 1 2.677 0.05 . 2 . . . . 79 TYR HB3 . 7112 1 982 . 1 1 78 78 TYR HD1 H 1 6.861 0.05 . 3 . . . . 79 TYR HD . 7112 1 983 . 1 1 78 78 TYR HD2 H 1 6.861 0.05 . 3 . . . . 79 TYR HD . 7112 1 984 . 1 1 78 78 TYR HE1 H 1 6.736 0.05 . 3 . . . . 79 TYR HE . 7112 1 985 . 1 1 78 78 TYR HE2 H 1 6.736 0.05 . 3 . . . . 79 TYR HE . 7112 1 986 . 1 1 78 78 TYR C C 13 178.889 0.1 . 1 . . . . 79 TYR C . 7112 1 987 . 1 1 78 78 TYR CA C 13 58.649 0.1 . 1 . . . . 79 TYR CA . 7112 1 988 . 1 1 78 78 TYR CB C 13 38.789 0.1 . 1 . . . . 79 TYR CB . 7112 1 989 . 1 1 78 78 TYR CD1 C 13 132.971 0.1 . 3 . . . . 79 TYR CD1 . 7112 1 990 . 1 1 78 78 TYR CE1 C 13 118.176 0.1 . 3 . . . . 79 TYR CE1 . 7112 1 991 . 1 1 78 78 TYR N N 15 118.794 0.05 . 1 . . . . 79 TYR N . 7112 1 992 . 1 1 79 79 SER H H 1 7.935 0.05 . 1 . . . . 80 SER H . 7112 1 993 . 1 1 79 79 SER HA H 1 4.338 0.05 . 1 . . . . 80 SER HA . 7112 1 994 . 1 1 79 79 SER HB2 H 1 3.882 0.05 . 2 . . . . 80 SER HB . 7112 1 995 . 1 1 79 79 SER HB3 H 1 3.882 0.05 . 2 . . . . 80 SER HB . 7112 1 996 . 1 1 79 79 SER CA C 13 59.044 0.1 . 1 . . . . 80 SER CA . 7112 1 997 . 1 1 79 79 SER CB C 13 64.521 0.1 . 1 . . . . 80 SER CB . 7112 1 998 . 1 1 79 79 SER N N 15 115.389 0.05 . 1 . . . . 80 SER N . 7112 1 999 . 1 1 80 80 MET HA H 1 4.623 0.05 . 1 . . . . 81 MET HA . 7112 1 1000 . 1 1 80 80 MET HB2 H 1 1.915 0.05 . 2 . . . . 81 MET HB . 7112 1 1001 . 1 1 80 80 MET HB3 H 1 1.915 0.05 . 2 . . . . 81 MET HB . 7112 1 1002 . 1 1 80 80 MET HG2 H 1 2.389 0.05 . 2 . . . . 81 MET HG2 . 7112 1 1003 . 1 1 80 80 MET HG3 H 1 2.500 0.05 . 2 . . . . 81 MET HG3 . 7112 1 1004 . 1 1 80 80 MET HE1 H 1 2.057 0.05 . 2 . . . . 81 MET HE . 7112 1 1005 . 1 1 80 80 MET HE2 H 1 2.057 0.05 . 2 . . . . 81 MET HE . 7112 1 1006 . 1 1 80 80 MET HE3 H 1 2.057 0.05 . 2 . . . . 81 MET HE . 7112 1 1007 . 1 1 80 80 MET C C 13 175.898 0.1 . 1 . . . . 81 MET C . 7112 1 1008 . 1 1 80 80 MET CA C 13 54.213 0.1 . 1 . . . . 81 MET CA . 7112 1 1009 . 1 1 80 80 MET CB C 13 33.627 0.1 . 1 . . . . 81 MET CB . 7112 1 1010 . 1 1 80 80 MET CG C 13 32.158 0.1 . 1 . . . . 81 MET CG . 7112 1 1011 . 1 1 80 80 MET CE C 13 17.502 0.1 . 1 . . . . 81 MET CE . 7112 1 1012 . 1 1 81 81 LYS HA H 1 4.274 0.05 . 1 . . . . 82 LYS HA . 7112 1 1013 . 1 1 81 81 LYS HB2 H 1 1.893 0.05 . 2 . . . . 82 LYS HB . 7112 1 1014 . 1 1 81 81 LYS HB3 H 1 1.893 0.05 . 2 . . . . 82 LYS HB . 7112 1 1015 . 1 1 81 81 LYS HG2 H 1 1.447 0.05 . 2 . . . . 82 LYS HG2 . 7112 1 1016 . 1 1 81 81 LYS HG3 H 1 1.447 0.05 . 2 . . . . 82 LYS HG3 . 7112 1 1017 . 1 1 81 81 LYS HD2 H 1 1.718 0.05 . 2 . . . . 82 LYS HD . 7112 1 1018 . 1 1 81 81 LYS HD3 H 1 1.718 0.05 . 2 . . . . 82 LYS HD . 7112 1 1019 . 1 1 81 81 LYS HE2 H 1 3.059 0.05 . 2 . . . . 82 LYS HE . 7112 1 1020 . 1 1 81 81 LYS HE3 H 1 3.059 0.05 . 2 . . . . 82 LYS HE . 7112 1 1021 . 1 1 81 81 LYS C C 13 177.513 0.1 . 1 . . . . 82 LYS C . 7112 1 1022 . 1 1 81 81 LYS CA C 13 56.731 0.1 . 1 . . . . 82 LYS CA . 7112 1 1023 . 1 1 81 81 LYS CB C 13 32.786 0.1 . 1 . . . . 82 LYS CB . 7112 1 1024 . 1 1 81 81 LYS CG C 13 24.646 0.1 . 1 . . . . 82 LYS CG . 7112 1 1025 . 1 1 81 81 LYS CD C 13 29.218 0.1 . 1 . . . . 82 LYS CD . 7112 1 1026 . 1 1 81 81 LYS CE C 13 42.068 0.1 . 1 . . . . 82 LYS CE . 7112 1 1027 . 1 1 82 82 GLU H H 1 8.819 0.05 . 1 . . . . 83 GLU H . 7112 1 1028 . 1 1 82 82 GLU HA H 1 4.047 0.05 . 1 . . . . 83 GLU HA . 7112 1 1029 . 1 1 82 82 GLU HB2 H 1 2.105 0.05 . 2 . . . . 83 GLU HB2 . 7112 1 1030 . 1 1 82 82 GLU HB3 H 1 2.050 0.05 . 2 . . . . 83 GLU HB3 . 7112 1 1031 . 1 1 82 82 GLU HG2 H 1 2.288 0.05 . 1 . . . . 83 GLU HG . 7112 1 1032 . 1 1 82 82 GLU HG3 H 1 2.288 0.05 . 1 . . . . 83 GLU HG . 7112 1 1033 . 1 1 82 82 GLU C C 13 178.789 0.1 . 1 . . . . 83 GLU C . 7112 1 1034 . 1 1 82 82 GLU CA C 13 58.440 0.1 . 1 . . . . 83 GLU CA . 7112 1 1035 . 1 1 82 82 GLU CB C 13 30.404 0.1 . 1 . . . . 83 GLU CB . 7112 1 1036 . 1 1 82 82 GLU CG C 13 36.573 0.1 . 1 . . . . 83 GLU CG . 7112 1 1037 . 1 1 82 82 GLU N N 15 121.561 0.05 . 1 . . . . 83 GLU N . 7112 1 1038 . 1 1 83 83 ASP H H 1 8.634 0.05 . 1 . . . . 84 ASP H . 7112 1 1039 . 1 1 83 83 ASP HA H 1 4.348 0.05 . 1 . . . . 84 ASP HA . 7112 1 1040 . 1 1 83 83 ASP HB2 H 1 2.743 0.05 . 2 . . . . 84 ASP HB2 . 7112 1 1041 . 1 1 83 83 ASP HB3 H 1 2.691 0.05 . 2 . . . . 84 ASP HB3 . 7112 1 1042 . 1 1 83 83 ASP C C 13 177.244 0.1 . 1 . . . . 84 ASP C . 7112 1 1043 . 1 1 83 83 ASP CA C 13 56.947 0.1 . 1 . . . . 84 ASP CA . 7112 1 1044 . 1 1 83 83 ASP CB C 13 40.332 0.1 . 1 . . . . 84 ASP CB . 7112 1 1045 . 1 1 83 83 ASP N N 15 116.867 0.05 . 1 . . . . 84 ASP N . 7112 1 1046 . 1 1 84 84 THR H H 1 7.565 0.05 . 1 . . . . 85 THR H . 7112 1 1047 . 1 1 84 84 THR HA H 1 4.453 0.05 . 1 . . . . 85 THR HA . 7112 1 1048 . 1 1 84 84 THR HB H 1 4.597 0.05 . 1 . . . . 85 THR HB . 7112 1 1049 . 1 1 84 84 THR HG21 H 1 1.161 0.05 . 2 . . . . 85 THR HG2 . 7112 1 1050 . 1 1 84 84 THR HG22 H 1 1.161 0.05 . 2 . . . . 85 THR HG2 . 7112 1 1051 . 1 1 84 84 THR HG23 H 1 1.161 0.05 . 2 . . . . 85 THR HG2 . 7112 1 1052 . 1 1 84 84 THR C C 13 174.365 0.1 . 1 . . . . 85 THR C . 7112 1 1053 . 1 1 84 84 THR CA C 13 60.671 0.1 . 1 . . . . 85 THR CA . 7112 1 1054 . 1 1 84 84 THR CB C 13 68.676 0.1 . 1 . . . . 85 THR CB . 7112 1 1055 . 1 1 84 84 THR CG2 C 13 22.589 0.1 . 1 . . . . 85 THR CG2 . 7112 1 1056 . 1 1 84 84 THR N N 15 107.044 0.05 . 1 . . . . 85 THR N . 7112 1 1057 . 1 1 85 85 ARG H H 1 7.017 0.05 . 1 . . . . 86 ARG H . 7112 1 1058 . 1 1 85 85 ARG HA H 1 4.029 0.05 . 1 . . . . 86 ARG HA . 7112 1 1059 . 1 1 85 85 ARG HB2 H 1 1.891 0.05 . 2 . . . . 86 ARG HB . 7112 1 1060 . 1 1 85 85 ARG HB3 H 1 1.891 0.05 . 2 . . . . 86 ARG HB . 7112 1 1061 . 1 1 85 85 ARG HG2 H 1 1.184 0.05 . 2 . . . . 86 ARG HG . 7112 1 1062 . 1 1 85 85 ARG HG3 H 1 1.184 0.05 . 2 . . . . 86 ARG HG . 7112 1 1063 . 1 1 85 85 ARG HD2 H 1 2.854 0.05 . 2 . . . . 86 ARG HD2 . 7112 1 1064 . 1 1 85 85 ARG HD3 H 1 2.971 0.05 . 2 . . . . 86 ARG HD3 . 7112 1 1065 . 1 1 85 85 ARG C C 13 176.115 0.1 . 1 . . . . 86 ARG C . 7112 1 1066 . 1 1 85 85 ARG CA C 13 57.995 0.1 . 1 . . . . 86 ARG CA . 7112 1 1067 . 1 1 85 85 ARG CB C 13 31.165 0.1 . 1 . . . . 86 ARG CB . 7112 1 1068 . 1 1 85 85 ARG CG C 13 26.379 0.1 . 1 . . . . 86 ARG CG . 7112 1 1069 . 1 1 85 85 ARG CD C 13 43.445 0.1 . 1 . . . . 86 ARG CD . 7112 1 1070 . 1 1 85 85 ARG N N 15 123.036 0.05 . 1 . . . . 86 ARG N . 7112 1 1071 . 1 1 86 86 LEU H H 1 9.466 0.05 . 1 . . . . 87 LEU H . 7112 1 1072 . 1 1 86 86 LEU HA H 1 4.605 0.05 . 1 . . . . 87 LEU HA . 7112 1 1073 . 1 1 86 86 LEU HB2 H 1 1.637 0.05 . 2 . . . . 87 LEU HB2 . 7112 1 1074 . 1 1 86 86 LEU HB3 H 1 1.519 0.05 . 2 . . . . 87 LEU HB3 . 7112 1 1075 . 1 1 86 86 LEU HG H 1 1.663 0.05 . 1 . . . . 87 LEU HG . 7112 1 1076 . 1 1 86 86 LEU HD11 H 1 0.911 0.05 . 2 . . . . 87 LEU HD1 . 7112 1 1077 . 1 1 86 86 LEU HD12 H 1 0.911 0.05 . 2 . . . . 87 LEU HD1 . 7112 1 1078 . 1 1 86 86 LEU HD13 H 1 0.911 0.05 . 2 . . . . 87 LEU HD1 . 7112 1 1079 . 1 1 86 86 LEU HD21 H 1 0.926 0.05 . 2 . . . . 87 LEU HD2 . 7112 1 1080 . 1 1 86 86 LEU HD22 H 1 0.926 0.05 . 2 . . . . 87 LEU HD2 . 7112 1 1081 . 1 1 86 86 LEU HD23 H 1 0.926 0.05 . 2 . . . . 87 LEU HD2 . 7112 1 1082 . 1 1 86 86 LEU C C 13 176.654 0.1 . 1 . . . . 87 LEU C . 7112 1 1083 . 1 1 86 86 LEU CA C 13 55.784 0.1 . 1 . . . . 87 LEU CA . 7112 1 1084 . 1 1 86 86 LEU CB C 13 44.194 0.1 . 1 . . . . 87 LEU CB . 7112 1 1085 . 1 1 86 86 LEU CG C 13 26.956 0.1 . 1 . . . . 87 LEU CG . 7112 1 1086 . 1 1 86 86 LEU CD1 C 13 25.232 0.1 . 1 . . . . 87 LEU CD1 . 7112 1 1087 . 1 1 86 86 LEU CD2 C 13 23.672 0.1 . 1 . . . . 87 LEU CD2 . 7112 1 1088 . 1 1 86 86 LEU N N 15 128.611 0.05 . 1 . . . . 87 LEU N . 7112 1 1089 . 1 1 87 87 GLU H H 1 7.702 0.05 . 1 . . . . 88 GLU H . 7112 1 1090 . 1 1 87 87 GLU HA H 1 4.497 0.05 . 1 . . . . 88 GLU HA . 7112 1 1091 . 1 1 87 87 GLU HB2 H 1 2.441 0.05 . 2 . . . . 88 GLU HB2 . 7112 1 1092 . 1 1 87 87 GLU HB3 H 1 2.157 0.05 . 2 . . . . 88 GLU HB3 . 7112 1 1093 . 1 1 87 87 GLU HG2 H 1 2.490 0.05 . 2 . . . . 88 GLU HG2 . 7112 1 1094 . 1 1 87 87 GLU HG3 H 1 2.410 0.05 . 2 . . . . 88 GLU HG3 . 7112 1 1095 . 1 1 87 87 GLU C C 13 173.520 0.1 . 1 . . . . 88 GLU C . 7112 1 1096 . 1 1 87 87 GLU CA C 13 55.034 0.1 . 1 . . . . 88 GLU CA . 7112 1 1097 . 1 1 87 87 GLU CB C 13 34.041 0.1 . 1 . . . . 88 GLU CB . 7112 1 1098 . 1 1 87 87 GLU CG C 13 37.026 0.1 . 1 . . . . 88 GLU CG . 7112 1 1099 . 1 1 87 87 GLU N N 15 117.045 0.05 . 1 . . . . 88 GLU N . 7112 1 1100 . 1 1 88 88 GLY H H 1 8.215 0.05 . 1 . . . . 89 GLY H . 7112 1 1101 . 1 1 88 88 GLY HA2 H 1 3.133 0.05 . 2 . . . . 89 GLY HA1 . 7112 1 1102 . 1 1 88 88 GLY HA3 H 1 1.437 0.05 . 2 . . . . 89 GLY HA2 . 7112 1 1103 . 1 1 88 88 GLY C C 13 171.642 0.1 . 1 . . . . 89 GLY C . 7112 1 1104 . 1 1 88 88 GLY CA C 13 40.857 0.1 . 1 . . . . 89 GLY CA . 7112 1 1105 . 1 1 88 88 GLY N N 15 110.395 0.05 . 1 . . . . 89 GLY N . 7112 1 1106 . 1 1 89 89 PRO HA H 1 4.469 0.05 . 1 . . . . 90 PRO HA . 7112 1 1107 . 1 1 89 89 PRO HB2 H 1 2.219 0.05 . 2 . . . . 90 PRO HB2 . 7112 1 1108 . 1 1 89 89 PRO HB3 H 1 1.696 0.05 . 2 . . . . 90 PRO HB3 . 7112 1 1109 . 1 1 89 89 PRO HG2 H 1 1.695 0.05 . 2 . . . . 90 PRO HG2 . 7112 1 1110 . 1 1 89 89 PRO HG3 H 1 1.803 0.05 . 2 . . . . 90 PRO HG3 . 7112 1 1111 . 1 1 89 89 PRO HD2 H 1 3.195 0.05 . 2 . . . . 90 PRO HD2 . 7112 1 1112 . 1 1 89 89 PRO HD3 H 1 3.393 0.05 . 2 . . . . 90 PRO HD3 . 7112 1 1113 . 1 1 89 89 PRO C C 13 174.833 0.1 . 1 . . . . 90 PRO C . 7112 1 1114 . 1 1 89 89 PRO CA C 13 61.672 0.1 . 1 . . . . 90 PRO CA . 7112 1 1115 . 1 1 89 89 PRO CB C 13 36.076 0.1 . 1 . . . . 90 PRO CB . 7112 1 1116 . 1 1 89 89 PRO CG C 13 24.531 0.1 . 1 . . . . 90 PRO CG . 7112 1 1117 . 1 1 89 89 PRO CD C 13 50.221 0.1 . 1 . . . . 90 PRO CD . 7112 1 1118 . 1 1 90 90 TRP H H 1 8.886 0.05 . 1 . . . . 91 TRP H . 7112 1 1119 . 1 1 90 90 TRP HA H 1 4.503 0.05 . 1 . . . . 91 TRP HA . 7112 1 1120 . 1 1 90 90 TRP HB2 H 1 2.906 0.05 . 2 . . . . 91 TRP HB2 . 7112 1 1121 . 1 1 90 90 TRP HB3 H 1 2.552 0.05 . 2 . . . . 91 TRP HB3 . 7112 1 1122 . 1 1 90 90 TRP HD1 H 1 7.240 0.05 . 1 . . . . 91 TRP HD1 . 7112 1 1123 . 1 1 90 90 TRP HE1 H 1 10.076 0.05 . 1 . . . . 91 TRP HE1 . 7112 1 1124 . 1 1 90 90 TRP HE3 H 1 6.818 0.05 . 1 . . . . 91 TRP HE3 . 7112 1 1125 . 1 1 90 90 TRP HZ2 H 1 7.410 0.05 . 4 . . . . 91 TRP HZ2 . 7112 1 1126 . 1 1 90 90 TRP HZ3 H 1 6.874 0.05 . 4 . . . . 91 TRP HZ3 . 7112 1 1127 . 1 1 90 90 TRP HH2 H 1 7.173 0.05 . 1 . . . . 91 TRP HH2 . 7112 1 1128 . 1 1 90 90 TRP C C 13 173.070 0.1 . 1 . . . . 91 TRP C . 7112 1 1129 . 1 1 90 90 TRP CA C 13 59.025 0.1 . 1 . . . . 91 TRP CA . 7112 1 1130 . 1 1 90 90 TRP CB C 13 30.404 0.1 . 1 . . . . 91 TRP CB . 7112 1 1131 . 1 1 90 90 TRP CD1 C 13 126.867 0.1 . 1 . . . . 91 TRP CD1 . 7112 1 1132 . 1 1 90 90 TRP CE3 C 13 118.277 0.1 . 1 . . . . 91 TRP CE3 . 7112 1 1133 . 1 1 90 90 TRP CZ2 C 13 113.899 0.1 . 1 . . . . 91 TRP CZ2 . 7112 1 1134 . 1 1 90 90 TRP CZ3 C 13 121.615 0.1 . 1 . . . . 91 TRP CZ3 . 7112 1 1135 . 1 1 90 90 TRP CH2 C 13 124.554 0.1 . 1 . . . . 91 TRP CH2 . 7112 1 1136 . 1 1 90 90 TRP N N 15 121.385 0.05 . 1 . . . . 91 TRP N . 7112 1 1137 . 1 1 90 90 TRP NE1 N 15 129.072 0.05 . 1 . . . . 91 TRP NE1 . 7112 1 1138 . 1 1 91 91 GLU H H 1 7.917 0.05 . 1 . . . . 92 GLU H . 7112 1 1139 . 1 1 91 91 GLU HA H 1 5.208 0.05 . 1 . . . . 92 GLU HA . 7112 1 1140 . 1 1 91 91 GLU HB2 H 1 1.947 0.05 . 2 . . . . 92 GLU HB2 . 7112 1 1141 . 1 1 91 91 GLU HB3 H 1 1.759 0.05 . 2 . . . . 92 GLU HB3 . 7112 1 1142 . 1 1 91 91 GLU HG2 H 1 2.165 0.05 . 2 . . . . 92 GLU HG . 7112 1 1143 . 1 1 91 91 GLU HG3 H 1 2.165 0.05 . 2 . . . . 92 GLU HG . 7112 1 1144 . 1 1 91 91 GLU C C 13 174.258 0.1 . 1 . . . . 92 GLU C . 7112 1 1145 . 1 1 91 91 GLU CA C 13 54.453 0.1 . 1 . . . . 92 GLU CA . 7112 1 1146 . 1 1 91 91 GLU CB C 13 34.000 0.1 . 1 . . . . 92 GLU CB . 7112 1 1147 . 1 1 91 91 GLU CG C 13 36.720 0.1 . 1 . . . . 92 GLU CG . 7112 1 1148 . 1 1 91 91 GLU N N 15 120.919 0.05 . 1 . . . . 92 GLU N . 7112 1 1149 . 1 1 92 92 TYR H H 1 9.435 0.05 . 1 . . . . 93 TYR H . 7112 1 1150 . 1 1 92 92 TYR HA H 1 4.989 0.05 . 1 . . . . 93 TYR HA . 7112 1 1151 . 1 1 92 92 TYR HB2 H 1 3.328 0.05 . 2 . . . . 93 TYR HB2 . 7112 1 1152 . 1 1 92 92 TYR HB3 H 1 2.664 0.05 . 2 . . . . 93 TYR HB3 . 7112 1 1153 . 1 1 92 92 TYR HD1 H 1 7.136 0.05 . 3 . . . . 93 TYR HD . 7112 1 1154 . 1 1 92 92 TYR HD2 H 1 7.136 0.05 . 3 . . . . 93 TYR HD . 7112 1 1155 . 1 1 92 92 TYR HE1 H 1 6.860 0.05 . 3 . . . . 93 TYR HE . 7112 1 1156 . 1 1 92 92 TYR HE2 H 1 6.860 0.05 . 3 . . . . 93 TYR HE . 7112 1 1157 . 1 1 92 92 TYR C C 13 174.235 0.1 . 1 . . . . 93 TYR C . 7112 1 1158 . 1 1 92 92 TYR CA C 13 56.360 0.1 . 1 . . . . 93 TYR CA . 7112 1 1159 . 1 1 92 92 TYR CB C 13 44.416 0.1 . 1 . . . . 93 TYR CB . 7112 1 1160 . 1 1 92 92 TYR CD1 C 13 133.543 0.1 . 3 . . . . 93 TYR CD1 . 7112 1 1161 . 1 1 92 92 TYR CE1 C 13 117.983 0.1 . 3 . . . . 93 TYR CE1 . 7112 1 1162 . 1 1 92 92 TYR N N 15 122.971 0.05 . 1 . . . . 93 TYR N . 7112 1 1163 . 1 1 93 93 GLY H H 1 8.771 0.05 . 1 . . . . 94 GLY H . 7112 1 1164 . 1 1 93 93 GLY HA2 H 1 4.940 0.05 . 2 . . . . 94 GLY HA1 . 7112 1 1165 . 1 1 93 93 GLY HA3 H 1 3.899 0.05 . 2 . . . . 94 GLY HA2 . 7112 1 1166 . 1 1 93 93 GLY C C 13 173.918 0.1 . 1 . . . . 94 GLY C . 7112 1 1167 . 1 1 93 93 GLY CA C 13 44.799 0.1 . 1 . . . . 94 GLY CA . 7112 1 1168 . 1 1 93 93 GLY N N 15 108.241 0.05 . 1 . . . . 94 GLY N . 7112 1 1169 . 1 1 94 94 GLU H H 1 8.239 0.05 . 1 . . . . 95 GLU H . 7112 1 1170 . 1 1 94 94 GLU HA H 1 4.413 0.05 . 1 . . . . 95 GLU HA . 7112 1 1171 . 1 1 94 94 GLU HB2 H 1 2.092 0.05 . 2 . . . . 95 GLU HB2 . 7112 1 1172 . 1 1 94 94 GLU HB3 H 1 2.022 0.05 . 2 . . . . 95 GLU HB3 . 7112 1 1173 . 1 1 94 94 GLU HG2 H 1 2.248 0.05 . 2 . . . . 95 GLU HG . 7112 1 1174 . 1 1 94 94 GLU HG3 H 1 2.248 0.05 . 2 . . . . 95 GLU HG . 7112 1 1175 . 1 1 94 94 GLU C C 13 180.337 0.1 . 1 . . . . 95 GLU C . 7112 1 1176 . 1 1 94 94 GLU CA C 13 57.902 0.1 . 1 . . . . 95 GLU CA . 7112 1 1177 . 1 1 94 94 GLU CB C 13 32.340 0.1 . 1 . . . . 95 GLU CB . 7112 1 1178 . 1 1 94 94 GLU CG C 13 36.301 0.1 . 1 . . . . 95 GLU CG . 7112 1 1179 . 1 1 94 94 GLU N N 15 124.885 0.05 . 1 . . . . 95 GLU N . 7112 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 80 7112 1 1 81 7112 1 1 1125 7112 1 1 1126 7112 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7112 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 9 '3D HNHA' 1 $sample_1 isotropic 7112 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLN H H 1 1 . 1 1 3 3 GLN HA H 1 . 8.64 . . 1.00 . . . . . . . . . . . 7112 1 2 3JHNHA . 1 1 5 5 ILE H H 1 1 . 1 1 5 5 ILE HA H 1 . 7.64 . . 1.00 . . . . . . . . . . . 7112 1 3 3JHNHA . 1 1 7 7 TRP H H 1 1 . 1 1 7 7 TRP HA H 1 . 9.11 . . 1.00 . . . . . . . . . . . 7112 1 4 3JHNHA . 1 1 8 8 CYS H H 1 1 . 1 1 8 8 CYS HA H 1 . 8.63 . . 1.00 . . . . . . . . . . . 7112 1 5 3JHNHA . 1 1 9 9 PHE H H 1 1 . 1 1 9 9 PHE HA H 1 . 10.48 . . 1.00 . . . . . . . . . . . 7112 1 6 3JHNHA . 1 1 10 10 THR H H 1 1 . 1 1 10 10 THR HA H 1 . 9.41 . . 1.00 . . . . . . . . . . . 7112 1 7 3JHNHA . 1 1 11 11 LEU H H 1 1 . 1 1 11 11 LEU HA H 1 . 9.28 . . 1.00 . . . . . . . . . . . 7112 1 8 3JHNHA . 1 1 12 12 ASN H H 1 1 . 1 1 12 12 ASN HA H 1 . 6.33 . . 1.00 . . . . . . . . . . . 7112 1 9 3JHNHA . 1 1 13 13 ASN H H 1 1 . 1 1 13 13 ASN HA H 1 . 6.36 . . 1.00 . . . . . . . . . . . 7112 1 10 3JHNHA . 1 1 16 16 SER H H 1 1 . 1 1 16 16 SER HA H 1 . 7.42 . . 1.00 . . . . . . . . . . . 7112 1 11 3JHNHA . 1 1 18 18 LEU H H 1 1 . 1 1 18 18 LEU HA H 1 . 8.49 . . 1.00 . . . . . . . . . . . 7112 1 12 3JHNHA . 1 1 19 19 SER H H 1 1 . 1 1 19 19 SER HA H 1 . 9.63 . . 1.00 . . . . . . . . . . . 7112 1 13 3JHNHA . 1 1 20 20 LEU H H 1 1 . 1 1 20 20 LEU HA H 1 . 5.30 . . 1.00 . . . . . . . . . . . 7112 1 14 3JHNHA . 1 1 22 22 ASP H H 1 1 . 1 1 22 22 ASP HA H 1 . 3.29 . . 1.00 . . . . . . . . . . . 7112 1 15 3JHNHA . 1 1 23 23 SER H H 1 1 . 1 1 23 23 SER HA H 1 . 7.11 . . 1.00 . . . . . . . . . . . 7112 1 16 3JHNHA . 1 1 24 24 MET H H 1 1 . 1 1 24 24 MET HA H 1 . 7.92 . . 1.00 . . . . . . . . . . . 7112 1 17 3JHNHA . 1 1 25 25 LYS H H 1 1 . 1 1 25 25 LYS HA H 1 . 9.13 . . 1.00 . . . . . . . . . . . 7112 1 18 3JHNHA . 1 1 26 26 TYR H H 1 1 . 1 1 26 26 TYR HA H 1 . 8.15 . . 1.00 . . . . . . . . . . . 7112 1 19 3JHNHA . 1 1 27 27 LEU H H 1 1 . 1 1 27 27 LEU HA H 1 . 8.05 . . 1.00 . . . . . . . . . . . 7112 1 20 3JHNHA . 1 1 28 28 VAL H H 1 1 . 1 1 28 28 VAL HA H 1 . 8.86 . . 1.00 . . . . . . . . . . . 7112 1 21 3JHNHA . 1 1 30 30 GLN H H 1 1 . 1 1 30 30 GLN HA H 1 . 7.94 . . 1.00 . . . . . . . . . . . 7112 1 22 3JHNHA . 1 1 31 31 THR H H 1 1 . 1 1 31 31 THR HA H 1 . 9.22 . . 1.00 . . . . . . . . . . . 7112 1 23 3JHNHA . 1 1 32 32 GLU H H 1 1 . 1 1 32 32 GLU HA H 1 . 9.65 . . 1.00 . . . . . . . . . . . 7112 1 24 3JHNHA . 1 1 33 33 GLN H H 1 1 . 1 1 33 33 GLN HA H 1 . 6.98 . . 1.00 . . . . . . . . . . . 7112 1 25 3JHNHA . 1 1 34 34 GLY H H 1 1 . 1 1 34 34 GLY HA H 1 . 8.60 . . 1.00 . . . . . . . . . . . 7112 1 26 3JHNHA . 1 1 35 35 GLU H H 1 1 . 1 1 35 35 GLU HA H 1 . 5.67 . . 1.00 . . . . . . . . . . . 7112 1 27 3JHNHA . 1 1 37 37 GLY H H 1 1 . 1 1 37 37 GLY HA H 1 . 6.75 . . 1.00 . . . . . . . . . . . 7112 1 28 3JHNHA . 1 1 37 37 GLY H H 1 1 . 1 1 37 37 GLY HA H 1 . 5.39 . . 1.00 . . . . . . . . . . . 7112 1 29 3JHNHA . 1 1 38 38 ASN H H 1 1 . 1 1 38 38 ASN HA H 1 . 7.13 . . 1.00 . . . . . . . . . . . 7112 1 30 3JHNHA . 1 1 39 39 ILE H H 1 1 . 1 1 39 39 ILE HA H 1 . 8.86 . . 1.00 . . . . . . . . . . . 7112 1 31 3JHNHA . 1 1 40 40 HIS H H 1 1 . 1 1 40 40 HIS HA H 1 . 8.44 . . 1.00 . . . . . . . . . . . 7112 1 32 3JHNHA . 1 1 41 41 PHE H H 1 1 . 1 1 41 41 PHE HA H 1 . 9.20 . . 1.00 . . . . . . . . . . . 7112 1 33 3JHNHA . 1 1 42 42 GLN H H 1 1 . 1 1 42 42 GLN HA H 1 . 9.09 . . 1.00 . . . . . . . . . . . 7112 1 34 3JHNHA . 1 1 44 44 TYR H H 1 1 . 1 1 44 44 TYR HA H 1 . 8.84 . . 1.00 . . . . . . . . . . . 7112 1 35 3JHNHA . 1 1 48 48 LYS H H 1 1 . 1 1 48 48 LYS HA H 1 . 4.91 . . 1.00 . . . . . . . . . . . 7112 1 36 3JHNHA . 1 1 49 49 LYS H H 1 1 . 1 1 49 49 LYS HA H 1 . 9.36 . . 1.00 . . . . . . . . . . . 7112 1 37 3JHNHA . 1 1 54 54 ALA H H 1 1 . 1 1 54 54 ALA HA H 1 . 3.66 . . 1.00 . . . . . . . . . . . 7112 1 38 3JHNHA . 1 1 55 55 GLY H H 1 1 . 1 1 55 55 GLY HA H 1 . 7.49 . . 1.00 . . . . . . . . . . . 7112 1 39 3JHNHA . 1 1 56 56 MET H H 1 1 . 1 1 56 56 MET HA H 1 . 5.39 . . 1.00 . . . . . . . . . . . 7112 1 40 3JHNHA . 1 1 57 57 LYS H H 1 1 . 1 1 57 57 LYS HA H 1 . 3.90 . . 1.00 . . . . . . . . . . . 7112 1 41 3JHNHA . 1 1 58 58 LYS H H 1 1 . 1 1 58 58 LYS HA H 1 . 5.91 . . 1.00 . . . . . . . . . . . 7112 1 42 3JHNHA . 1 1 59 59 LEU H H 1 1 . 1 1 59 59 LEU HA H 1 . 7.04 . . 1.00 . . . . . . . . . . . 7112 1 43 3JHNHA . 1 1 60 60 ILE H H 1 1 . 1 1 60 60 ILE HA H 1 . 9.89 . . 1.00 . . . . . . . . . . . 7112 1 44 3JHNHA . 1 1 62 62 GLY H H 1 1 . 1 1 62 62 GLY HA H 1 . 7.13 . . 1.00 . . . . . . . . . . . 7112 1 45 3JHNHA . 1 1 62 62 GLY H H 1 1 . 1 1 62 62 GLY HA H 1 . 5.50 . . 1.00 . . . . . . . . . . . 7112 1 46 3JHNHA . 1 1 63 63 ALA H H 1 1 . 1 1 63 63 ALA HA H 1 . 5.96 . . 1.00 . . . . . . . . . . . 7112 1 47 3JHNHA . 1 1 64 64 HIS H H 1 1 . 1 1 64 64 HIS HA H 1 . 9.40 . . 1.00 . . . . . . . . . . . 7112 1 48 3JHNHA . 1 1 65 65 PHE H H 1 1 . 1 1 65 65 PHE HA H 1 . 9.44 . . 1.00 . . . . . . . . . . . 7112 1 49 3JHNHA . 1 1 66 66 GLU H H 1 1 . 1 1 66 66 GLU HA H 1 . 8.63 . . 1.00 . . . . . . . . . . . 7112 1 50 3JHNHA . 1 1 67 67 LYS H H 1 2 . 1 1 67 67 LYS HA H 1 . 5.27 . . 1.00 . . . . . . . . . . . 7112 1 51 3JHNHA . 1 1 69 69 ARG H H 1 1 . 1 1 69 69 ARG HA H 1 . 8.04 . . 1.00 . . . . . . . . . . . 7112 1 52 3JHNHA . 1 1 70 70 GLY H H 1 1 . 1 1 70 70 GLY HA H 1 . 8.04 . . 1.00 . . . . . . . . . . . 7112 1 53 3JHNHA . 1 1 71 71 THR H H 1 1 . 1 1 71 71 THR HA H 1 . 7.61 . . 1.00 . . . . . . . . . . . 7112 1 54 3JHNHA . 1 1 73 73 GLY H H 1 1 . 1 1 73 73 GLY HA H 1 . 8.63 . . 1.00 . . . . . . . . . . . 7112 1 55 3JHNHA . 1 1 74 74 GLU H H 1 1 . 1 1 74 74 GLU HA H 1 . 6.54 . . 1.00 . . . . . . . . . . . 7112 1 56 3JHNHA . 1 1 75 75 ALA H H 1 1 . 1 1 75 75 ALA HA H 1 . 5.45 . . 1.00 . . . . . . . . . . . 7112 1 57 3JHNHA . 1 1 76 76 ARG H H 1 1 . 1 1 76 76 ARG HA H 1 . 5.28 . . 1.00 . . . . . . . . . . . 7112 1 58 3JHNHA . 1 1 78 78 TYR H H 1 1 . 1 1 78 78 TYR HA H 1 . 8.22 . . 1.00 . . . . . . . . . . . 7112 1 59 3JHNHA . 1 1 82 82 GLU H H 1 1 . 1 1 82 82 GLU HA H 1 . 5.62 . . 1.00 . . . . . . . . . . . 7112 1 60 3JHNHA . 1 1 83 83 ASP H H 1 1 . 1 1 83 83 ASP HA H 1 . 4.14 . . 1.00 . . . . . . . . . . . 7112 1 61 3JHNHA . 1 1 85 85 ARG H H 1 1 . 1 1 85 85 ARG HA H 1 . 4.55 . . 1.00 . . . . . . . . . . . 7112 1 62 3JHNHA . 1 1 86 86 LEU H H 1 1 . 1 1 86 86 LEU HA H 1 . 10.12 . . 1.00 . . . . . . . . . . . 7112 1 63 3JHNHA . 1 1 87 87 GLU H H 1 1 . 1 1 87 87 GLU HA H 1 . 7.25 . . 1.00 . . . . . . . . . . . 7112 1 64 3JHNHA . 1 1 88 88 GLY H H 1 1 . 1 1 88 88 GLY HA H 1 . 7.45 . . 1.00 . . . . . . . . . . . 7112 1 65 3JHNHA . 1 1 90 90 TRP H H 1 1 . 1 1 90 90 TRP HA H 1 . 9.92 . . 1.00 . . . . . . . . . . . 7112 1 66 3JHNHA . 1 1 91 91 GLU H H 1 1 . 1 1 91 91 GLU HA H 1 . 9.64 . . 1.00 . . . . . . . . . . . 7112 1 67 3JHNHA . 1 1 92 92 TYR H H 1 1 . 1 1 92 92 TYR HA H 1 . 9.69 . . 1.00 . . . . . . . . . . . 7112 1 68 3JHNHA . 1 1 93 93 GLY H H 1 1 . 1 1 93 93 GLY HA H 1 . 6.71 . . 1.00 . . . . . . . . . . . 7112 1 69 3JHNHA . 1 1 93 93 GLY H H 1 1 . 1 1 93 93 GLY HA H 1 . 4.89 . . 1.00 . . . . . . . . . . . 7112 1 70 3JHNHA . 1 1 94 94 GLU H H 1 1 . 1 1 94 94 GLU HA H 1 . 7.94 . . 1.00 . . . . . . . . . . . 7112 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 7112 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type Ixnoe/Iref _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 isotropic 7112 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 0.557518608707666 0.0296594356106044 . . . . . . . . . . 7112 1 2 . 1 1 5 5 ILE N N 15 . 1 1 5 5 ILE H H 1 0.866200687396572 0.0229651281443935 . . . . . . . . . . 7112 1 3 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 1.00091275853886 0.0387427424926328 . . . . . . . . . . 7112 1 4 . 1 1 8 8 CYS N N 15 . 1 1 8 8 CYS H H 1 1.17294633984763 0.0957289692784288 . . . . . . . . . . 7112 1 5 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.854353648118107 0.0189379271528053 . . . . . . . . . . 7112 1 6 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.877911675223427 0.0237216090689265 . . . . . . . . . . 7112 1 7 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.866786685072651 0.0141251315295137 . . . . . . . . . . 7112 1 8 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.835354775848245 0.0198372522353358 . . . . . . . . . . 7112 1 9 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.713903512557176 0.0144599531453448 . . . . . . . . . . 7112 1 10 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.81755457115379 0.0141163390021736 . . . . . . . . . . 7112 1 11 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.760367576019057 0.0138974702484075 . . . . . . . . . . 7112 1 12 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.889761121877926 0.0218605261852876 . . . . . . . . . . 7112 1 13 . 1 1 24 24 MET N N 15 . 1 1 24 24 MET H H 1 0.928941611733443 0.0150289907161824 . . . . . . . . . . 7112 1 14 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.907583051332158 0.0241369625116578 . . . . . . . . . . 7112 1 15 . 1 1 26 26 TYR N N 15 . 1 1 26 26 TYR H H 1 0.87655589189898 0.0217982226075208 . . . . . . . . . . 7112 1 16 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 1.0846883136022 0.0543540218910421 . . . . . . . . . . 7112 1 17 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 2.31454523936328 0.111900093838309 . . . . . . . . . . 7112 1 18 . 1 1 33 33 GLN N N 15 . 1 1 33 33 GLN H H 1 0.800294718187772 0.0185038088543704 . . . . . . . . . . 7112 1 19 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.711376028093522 0.017011570181394 . . . . . . . . . . 7112 1 20 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.598352158018224 0.0136256042364164 . . . . . . . . . . 7112 1 21 . 1 1 36 36 ALA N N 15 . 1 1 36 36 ALA H H 1 0.663161237637238 0.0163312245878081 . . . . . . . . . . 7112 1 22 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.577740622048829 0.0134096856194073 . . . . . . . . . . 7112 1 23 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.641628428129335 0.00950921220980727 . . . . . . . . . . 7112 1 24 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.703956961589668 0.0166139271616336 . . . . . . . . . . 7112 1 25 . 1 1 41 41 PHE N N 15 . 1 1 41 41 PHE H H 1 0.851518969896241 0.0193945493771008 . . . . . . . . . . 7112 1 26 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.859774402896119 0.021833338711732 . . . . . . . . . . 7112 1 27 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 1.11322744200655 0.0503574115770122 . . . . . . . . . . 7112 1 28 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 1.35755603759942 0.0831249984454607 . . . . . . . . . . 7112 1 29 . 1 1 47 47 MET N N 15 . 1 1 47 47 MET H H 1 1.55141803089693 0.319191561206352 . . . . . . . . . . 7112 1 30 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.873467628154883 0.015610906727028 . . . . . . . . . . 7112 1 31 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.992608895604757 0.0347134786270817 . . . . . . . . . . 7112 1 32 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 -0.0583941605839416 -0.185890787095021 . . . . . . . . . . 7112 1 33 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.993611001817398 0.039618433405661 . . . . . . . . . . 7112 1 34 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.950623021655027 0.0259962179478986 . . . . . . . . . . 7112 1 35 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.900290134372452 0.010685917721903 . . . . . . . . . . 7112 1 36 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.861381645028087 0.0147298121724944 . . . . . . . . . . 7112 1 37 . 1 1 56 56 MET N N 15 . 1 1 56 56 MET H H 1 0.891199478981287 0.0152158419104358 . . . . . . . . . . 7112 1 38 . 1 1 57 57 LYS N N 15 . 1 1 57 57 LYS H H 1 0.913361332525577 0.0138283265055919 . . . . . . . . . . 7112 1 39 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.772216509533308 0.0234793461305147 . . . . . . . . . . 7112 1 40 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.839806042939627 0.0109803924618866 . . . . . . . . . . 7112 1 41 . 1 1 64 64 HIS N N 15 . 1 1 64 64 HIS H H 1 0.946442651195842 0.0201039177440422 . . . . . . . . . . 7112 1 42 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.888368241597662 0.0195461633302941 . . . . . . . . . . 7112 1 43 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.994451376146789 0.0310523790917056 . . . . . . . . . . 7112 1 44 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.675961329749044 0.0302306928944742 . . . . . . . . . . 7112 1 45 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.806767003021492 0.0549368490942273 . . . . . . . . . . 7112 1 46 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.752263556954729 0.0166455829966731 . . . . . . . . . . 7112 1 47 . 1 1 78 78 TYR N N 15 . 1 1 78 78 TYR H H 1 0.864779500819302 0.0470942205721816 . . . . . . . . . . 7112 1 48 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.999557277255119 0.234737223814252 . . . . . . . . . . 7112 1 49 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.774074570124558 0.0195428445286053 . . . . . . . . . . 7112 1 50 . 1 1 83 83 ASP N N 15 . 1 1 83 83 ASP H H 1 0.810415720259519 0.0224893803169286 . . . . . . . . . . 7112 1 51 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 1.07738495532712 0.105914483826877 . . . . . . . . . . 7112 1 52 . 1 1 85 85 ARG N N 15 . 1 1 85 85 ARG H H 1 0.874387519109404 0.019526356058299 . . . . . . . . . . 7112 1 53 . 1 1 86 86 LEU N N 15 . 1 1 86 86 LEU H H 1 0.923267112893236 0.041707812341309 . . . . . . . . . . 7112 1 54 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.818401519074745 0.0139413956485524 . . . . . . . . . . 7112 1 55 . 1 1 90 90 TRP N N 15 . 1 1 90 90 TRP H H 1 0.860097777522651 0.0189288872932965 . . . . . . . . . . 7112 1 56 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.831375313973472 0.0171919401021441 . . . . . . . . . . 7112 1 57 . 1 1 92 92 TYR N N 15 . 1 1 92 92 TYR H H 1 0.848297881520473 0.0282896565952827 . . . . . . . . . . 7112 1 58 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.788163726134506 0.0160920116781249 . . . . . . . . . . 7112 1 59 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.559394571513914 0.00841617241722834 . . . . . . . . . . 7112 1 stop_ save_