data_7224 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7224 _Entry.Title ; Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355 (CASP Target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-14 _Entry.Accession_date 2006-07-26 _Entry.Last_release_date 2010-03-04 _Entry.Original_release_date 2010-03-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 G. Liu . . . 7224 2 D. Parish . . . 7224 3 D. Xu . . . 7224 4 H. Atreya . . . 7224 5 D. Sukumaran . . . 7224 6 C. Ho . K. . 7224 7 M. Jiang . . . 7224 8 K. Cunningham . . . 7224 9 L.-C. Ma . . . 7224 10 R. Xiao . . . 7224 11 J. Liu . . . 7224 12 M. Baran . . . 7224 13 G. Swapna . V. . 7224 14 T. Acton . B. . 7224 15 B. Rost . . . 7224 16 G. Montelione . T. . 7224 17 T. Szyperski . . . 7224 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7224 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 216 7224 '15N chemical shifts' 63 7224 '1H chemical shifts' 445 7224 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-04 2006-07-14 original author . 7224 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HG7 'BMRB Entry Tracking System' 7224 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7224 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 G. Liu . . . 7224 1 2 D. Parish . . . 7224 1 3 D. Xu . . . 7224 1 4 H. Atreya . . . 7224 1 5 D. Sukumaran . . . 7224 1 6 C. Ho . K. . 7224 1 7 M. Jiang . . . 7224 1 8 K. Cunningham . . . 7224 1 9 L.-C. Ma . . . 7224 1 10 R. Xiao . . . 7224 1 11 J. Liu . . . 7224 1 12 M. Baran . . . 7224 1 13 G. Swapna . V.T. . 7224 1 14 T. Acton . B. . 7224 1 15 B. Rost . . . 7224 1 16 G. Montelione . T. . 7224 1 17 T. Szyperski . . . 7224 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DIMER 7224 1 'GFT NMR' 7224 1 NESG 7224 1 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM' 7224 1 'Phage-like element PBSX protein xkdW' 7224 1 'PROTEIN STRUCTURE INITIATIVE' 7224 1 PSI 7224 1 'STRUCTURAL GENOMICS' 7224 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PBSX_xkdW _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PBSX_xkdW _Assembly.Entry_ID 7224 _Assembly.ID 1 _Assembly.Name 'Phage-like element PBSX protein xkdW' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7224 1 stop_ 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 'Phage-like element PBSX protein xkdW' 1 $PBSX_xkdW . . . native . . . . . 7224 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HG7 . . . . . . 7224 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Phage-like element PBSX protein xkdW' abbreviation 7224 1 'Phage-like element PBSX protein xkdW' system 7224 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PBSX_xkdW _Entity.Sf_category entity _Entity.Sf_framecode PBSX_xkdW _Entity.Entry_ID 7224 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Phage-like element PBSX protein xkdW' _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 ; MILYDAIMYKYPNAVSRKDF ELRNDGNGSYIEKWNLRAPL PTQAELETWWEELQKNPPYE PPDQVELLAQELSQEKLARK QLEELNKTLGNELSDIKLSL LSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HG7 . "Solution Nmr Structure Of Phage-Like Element Pbsx Protein Xkdw, Northeast Structural Genomics Consortium Target Sr355" . . . . . 100.00 110 100.00 100.00 1.69e-72 . . . . 7224 1 2 no GB AEP90405 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1 3 no REF WP_014476554 . "phage portal protein [Bacillus subtilis]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1 4 no REF YP_005556379 . "hypothetical protein I33_1436 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Phage-like element PBSX protein xkdW' abbreviation 7224 1 'Phage-like element PBSX protein xkdW' common 7224 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7224 1 2 . ILE . 7224 1 3 . LEU . 7224 1 4 . TYR . 7224 1 5 . ASP . 7224 1 6 . ALA . 7224 1 7 . ILE . 7224 1 8 . MET . 7224 1 9 . TYR . 7224 1 10 . LYS . 7224 1 11 . TYR . 7224 1 12 . PRO . 7224 1 13 . ASN . 7224 1 14 . ALA . 7224 1 15 . VAL . 7224 1 16 . SER . 7224 1 17 . ARG . 7224 1 18 . LYS . 7224 1 19 . ASP . 7224 1 20 . PHE . 7224 1 21 . GLU . 7224 1 22 . LEU . 7224 1 23 . ARG . 7224 1 24 . ASN . 7224 1 25 . ASP . 7224 1 26 . GLY . 7224 1 27 . ASN . 7224 1 28 . GLY . 7224 1 29 . SER . 7224 1 30 . TYR . 7224 1 31 . ILE . 7224 1 32 . GLU . 7224 1 33 . LYS . 7224 1 34 . TRP . 7224 1 35 . ASN . 7224 1 36 . LEU . 7224 1 37 . ARG . 7224 1 38 . ALA . 7224 1 39 . PRO . 7224 1 40 . LEU . 7224 1 41 . PRO . 7224 1 42 . THR . 7224 1 43 . GLN . 7224 1 44 . ALA . 7224 1 45 . GLU . 7224 1 46 . LEU . 7224 1 47 . GLU . 7224 1 48 . THR . 7224 1 49 . TRP . 7224 1 50 . TRP . 7224 1 51 . GLU . 7224 1 52 . GLU . 7224 1 53 . LEU . 7224 1 54 . GLN . 7224 1 55 . LYS . 7224 1 56 . ASN . 7224 1 57 . PRO . 7224 1 58 . PRO . 7224 1 59 . TYR . 7224 1 60 . GLU . 7224 1 61 . PRO . 7224 1 62 . PRO . 7224 1 63 . ASP . 7224 1 64 . GLN . 7224 1 65 . VAL . 7224 1 66 . GLU . 7224 1 67 . LEU . 7224 1 68 . LEU . 7224 1 69 . ALA . 7224 1 70 . GLN . 7224 1 71 . GLU . 7224 1 72 . LEU . 7224 1 73 . SER . 7224 1 74 . GLN . 7224 1 75 . GLU . 7224 1 76 . LYS . 7224 1 77 . LEU . 7224 1 78 . ALA . 7224 1 79 . ARG . 7224 1 80 . LYS . 7224 1 81 . GLN . 7224 1 82 . LEU . 7224 1 83 . GLU . 7224 1 84 . GLU . 7224 1 85 . LEU . 7224 1 86 . ASN . 7224 1 87 . LYS . 7224 1 88 . THR . 7224 1 89 . LEU . 7224 1 90 . GLY . 7224 1 91 . ASN . 7224 1 92 . GLU . 7224 1 93 . LEU . 7224 1 94 . SER . 7224 1 95 . ASP . 7224 1 96 . ILE . 7224 1 97 . LYS . 7224 1 98 . LEU . 7224 1 99 . SER . 7224 1 100 . LEU . 7224 1 101 . LEU . 7224 1 102 . SER . 7224 1 103 . LEU . 7224 1 104 . GLU . 7224 1 105 . HIS . 7224 1 106 . HIS . 7224 1 107 . HIS . 7224 1 108 . HIS . 7224 1 109 . HIS . 7224 1 110 . HIS . 7224 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7224 . . ILE 2 2 7224 . . LEU 3 3 7224 . . TYR 4 4 7224 . . ASP 5 5 7224 . . ALA 6 6 7224 . . ILE 7 7 7224 . . MET 8 8 7224 . . TYR 9 9 7224 . . LYS 10 10 7224 . . TYR 11 11 7224 . . PRO 12 12 7224 . . ASN 13 13 7224 . . ALA 14 14 7224 . . VAL 15 15 7224 . . SER 16 16 7224 . . ARG 17 17 7224 . . LYS 18 18 7224 . . ASP 19 19 7224 . . PHE 20 20 7224 . . GLU 21 21 7224 . . LEU 22 22 7224 . . ARG 23 23 7224 . . ASN 24 24 7224 . . ASP 25 25 7224 . . GLY 26 26 7224 . . ASN 27 27 7224 . . GLY 28 28 7224 . . SER 29 29 7224 . . TYR 30 30 7224 . . ILE 31 31 7224 . . GLU 32 32 7224 . . LYS 33 33 7224 . . TRP 34 34 7224 . . ASN 35 35 7224 . . LEU 36 36 7224 . . ARG 37 37 7224 . . ALA 38 38 7224 . . PRO 39 39 7224 . . LEU 40 40 7224 . . PRO 41 41 7224 . . THR 42 42 7224 . . GLN 43 43 7224 . . ALA 44 44 7224 . . GLU 45 45 7224 . . LEU 46 46 7224 . . GLU 47 47 7224 . . THR 48 48 7224 . . TRP 49 49 7224 . . TRP 50 50 7224 . . GLU 51 51 7224 . . GLU 52 52 7224 . . LEU 53 53 7224 . . GLN 54 54 7224 . . LYS 55 55 7224 . . ASN 56 56 7224 . . PRO 57 57 7224 . . PRO 58 58 7224 . . TYR 59 59 7224 . . GLU 60 60 7224 . . PRO 61 61 7224 . . PRO 62 62 7224 . . ASP 63 63 7224 . . GLN 64 64 7224 . . VAL 65 65 7224 . . GLU 66 66 7224 . . LEU 67 67 7224 . . LEU 68 68 7224 . . ALA 69 69 7224 . . GLN 70 70 7224 . . GLU 71 71 7224 . . LEU 72 72 7224 . . SER 73 73 7224 . . GLN 74 74 7224 . . GLU 75 75 7224 . . LYS 76 76 7224 . . LEU 77 77 7224 . . ALA 78 78 7224 . . ARG 79 79 7224 . . LYS 80 80 7224 . . GLN 81 81 7224 . . LEU 82 82 7224 . . GLU 83 83 7224 . . GLU 84 84 7224 . . LEU 85 85 7224 . . ASN 86 86 7224 . . LYS 87 87 7224 . . THR 88 88 7224 . . LEU 89 89 7224 . . GLY 90 90 7224 . . ASN 91 91 7224 . . GLU 92 92 7224 . . LEU 93 93 7224 . . SER 94 94 7224 . . ASP 95 95 7224 . . ILE 96 96 7224 . . LYS 97 97 7224 . . LEU 98 98 7224 . . SER 99 99 7224 . . LEU 100 100 7224 . . LEU 101 101 7224 . . SER 102 102 7224 . . LEU 103 103 7224 . . GLU 104 104 7224 . . HIS 105 105 7224 . . HIS 106 106 7224 . . HIS 107 107 7224 . . HIS 108 108 7224 . . HIS 109 109 7224 . . HIS 110 110 7224 . 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 7224 _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 $PBSX_xkdW . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7224 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 7224 _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 $PBSX_xkdW . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7224 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7224 _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 'Phage-like element PBSX protein xkdW' . . . 1 $PBSX_xkdW . . 1.05 . . mM . . . . 7224 1 2 NaN3 . . . . . . . 0.02 . . % . . . . 7224 1 3 DTT . . . . . . . 100 . . mM . . . . 7224 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 7224 1 5 NaCl . . . . . . . 100 . . mM . . . . 7224 1 6 MES . . . . . . . 20 . . mM . . . . 7224 1 7 H2O . . . . . . . 95 . . % . . . . 7224 1 8 D2O . . . . . . . 5 . . % . . . . 7224 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7224 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 7224 1 pressure 1 . atm 7224 1 temperature 298 . K 7224 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7224 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7224 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7224 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7224 2 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 7224 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.15.1 _Software.Details 'Moseley, H.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7224 3 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 7224 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.0 _Software.Details 'HUANG, Y.J.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7224 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7224 _Software.ID 5 _Software.Name CYANA _Software.Version 21 _Software.Details GUNTERT loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7224 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7224 _Software.ID 6 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7224 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7224 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7224 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 7224 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7224 _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 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1 2 'GFT (4,3)D HNNCABCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1 3 'GFT (4,3)D CABCA(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1 4 'GFT (4,3)D HABCAB(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1 5 'GFT (4,3)D HCCH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7224 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7224 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'GFT (4,3)D HNNCABCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7224 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'GFT (4,3)D CABCA(CO)NHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7224 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'GFT (4,3)D HABCAB(CO)NHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7224 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'GFT (4,3)D HCCH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7224 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7224 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7224 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7224 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7224 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' 1 $sample_1 . 7224 1 2 'GFT (4,3)D HNNCABCA' 1 $sample_1 . 7224 1 3 'GFT (4,3)D CABCA(CO)NHN' 1 $sample_1 . 7224 1 4 'GFT (4,3)D HABCAB(CO)NHN' 1 $sample_1 . 7224 1 5 'GFT (4,3)D HCCH' 1 $sample_1 . 7224 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CG C 13 36.0 0.5 . 1 . . . . . . . . 7224 1 2 . 1 1 1 1 MET HG2 H 1 2.30 0.01 . 2 . . . . . . . . 7224 1 3 . 1 1 1 1 MET HG3 H 1 2.40 0.01 . 2 . . . . . . . . 7224 1 4 . 1 1 1 1 MET HE1 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1 5 . 1 1 1 1 MET HE2 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1 6 . 1 1 1 1 MET HE3 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1 7 . 1 1 1 1 MET CE C 13 17.2 0.5 . 1 . . . . . . . . 7224 1 8 . 1 1 2 2 ILE CA C 13 60.0 0.5 . 1 . . . . . . . . 7224 1 9 . 1 1 2 2 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 7224 1 10 . 1 1 2 2 ILE CB C 13 37.7 0.5 . 1 . . . . . . . . 7224 1 11 . 1 1 2 2 ILE HB H 1 2.03 0.01 . 1 . . . . . . . . 7224 1 12 . 1 1 2 2 ILE HG21 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1 13 . 1 1 2 2 ILE HG22 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1 14 . 1 1 2 2 ILE HG23 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1 15 . 1 1 2 2 ILE CG2 C 13 18.4 0.5 . 1 . . . . . . . . 7224 1 16 . 1 1 2 2 ILE CG1 C 13 26.4 0.5 . 1 . . . . . . . . 7224 1 17 . 1 1 2 2 ILE HG12 H 1 1.38 0.01 . 2 . . . . . . . . 7224 1 18 . 1 1 2 2 ILE HG13 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1 19 . 1 1 2 2 ILE HD11 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1 20 . 1 1 2 2 ILE HD12 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1 21 . 1 1 2 2 ILE HD13 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1 22 . 1 1 2 2 ILE CD1 C 13 12.1 0.5 . 1 . . . . . . . . 7224 1 23 . 1 1 3 3 LEU N N 15 130.7 0.5 . 1 . . . . . . . . 7224 1 24 . 1 1 3 3 LEU H H 1 8.50 0.01 . 1 . . . . . . . . 7224 1 25 . 1 1 3 3 LEU CA C 13 59.2 0.5 . 1 . . . . . . . . 7224 1 26 . 1 1 3 3 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 7224 1 27 . 1 1 3 3 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 7224 1 28 . 1 1 3 3 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 7224 1 29 . 1 1 3 3 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 7224 1 30 . 1 1 3 3 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 7224 1 31 . 1 1 3 3 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 7224 1 32 . 1 1 3 3 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1 33 . 1 1 3 3 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1 34 . 1 1 3 3 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1 35 . 1 1 3 3 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1 36 . 1 1 3 3 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1 37 . 1 1 3 3 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1 38 . 1 1 3 3 LEU CD1 C 13 25.3 0.5 . 1 . . . . . . . . 7224 1 39 . 1 1 3 3 LEU CD2 C 13 26.5 0.5 . 1 . . . . . . . . 7224 1 40 . 1 1 4 4 TYR N N 15 116.9 0.5 . 1 . . . . . . . . 7224 1 41 . 1 1 4 4 TYR H H 1 8.87 0.01 . 1 . . . . . . . . 7224 1 42 . 1 1 4 4 TYR CA C 13 62.9 0.5 . 1 . . . . . . . . 7224 1 43 . 1 1 4 4 TYR HA H 1 3.83 0.01 . 1 . . . . . . . . 7224 1 44 . 1 1 4 4 TYR CB C 13 39.2 0.5 . 1 . . . . . . . . 7224 1 45 . 1 1 4 4 TYR HB2 H 1 3.18 0.01 . 2 . . . . . . . . 7224 1 46 . 1 1 4 4 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 7224 1 47 . 1 1 4 4 TYR HD1 H 1 7.33 0.01 . 1 . . . . . . . . 7224 1 48 . 1 1 4 4 TYR HD2 H 1 7.33 0.01 . 1 . . . . . . . . 7224 1 49 . 1 1 4 4 TYR HE1 H 1 6.98 0.01 . 1 . . . . . . . . 7224 1 50 . 1 1 4 4 TYR HE2 H 1 6.98 0.01 . 1 . . . . . . . . 7224 1 51 . 1 1 4 4 TYR CD1 C 13 132.5 0.5 . 1 . . . . . . . . 7224 1 52 . 1 1 4 4 TYR CE1 C 13 118.0 0.5 . 1 . . . . . . . . 7224 1 53 . 1 1 5 5 ASP N N 15 115.6 0.5 . 1 . . . . . . . . 7224 1 54 . 1 1 5 5 ASP H H 1 6.87 0.01 . 1 . . . . . . . . 7224 1 55 . 1 1 5 5 ASP CA C 13 56.8 0.5 . 1 . . . . . . . . 7224 1 56 . 1 1 5 5 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 7224 1 57 . 1 1 5 5 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 7224 1 58 . 1 1 5 5 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 7224 1 59 . 1 1 5 5 ASP HB3 H 1 2.85 0.01 . 2 . . . . . . . . 7224 1 60 . 1 1 6 6 ALA N N 15 122.0 0.5 . 1 . . . . . . . . 7224 1 61 . 1 1 6 6 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 7224 1 62 . 1 1 6 6 ALA CA C 13 56.2 0.5 . 1 . . . . . . . . 7224 1 63 . 1 1 6 6 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 7224 1 64 . 1 1 6 6 ALA HB1 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1 65 . 1 1 6 6 ALA HB2 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1 66 . 1 1 6 6 ALA HB3 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1 67 . 1 1 6 6 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 7224 1 68 . 1 1 7 7 ILE N N 15 115.9 0.5 . 1 . . . . . . . . 7224 1 69 . 1 1 7 7 ILE H H 1 7.97 0.01 . 1 . . . . . . . . 7224 1 70 . 1 1 7 7 ILE CA C 13 66.4 0.5 . 1 . . . . . . . . 7224 1 71 . 1 1 7 7 ILE HA H 1 3.75 0.01 . 1 . . . . . . . . 7224 1 72 . 1 1 7 7 ILE CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1 73 . 1 1 7 7 ILE HB H 1 1.53 0.01 . 1 . . . . . . . . 7224 1 74 . 1 1 7 7 ILE HG21 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1 75 . 1 1 7 7 ILE HG22 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1 76 . 1 1 7 7 ILE HG23 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1 77 . 1 1 7 7 ILE CG2 C 13 16.5 0.5 . 1 . . . . . . . . 7224 1 78 . 1 1 7 7 ILE CG1 C 13 30.3 0.5 . 1 . . . . . . . . 7224 1 79 . 1 1 7 7 ILE HG12 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1 80 . 1 1 7 7 ILE HG13 H 1 1.97 0.01 . 2 . . . . . . . . 7224 1 81 . 1 1 7 7 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1 82 . 1 1 7 7 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1 83 . 1 1 7 7 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1 84 . 1 1 7 7 ILE CD1 C 13 15.5 0.5 . 1 . . . . . . . . 7224 1 85 . 1 1 8 8 MET N N 15 114.5 0.5 . 1 . . . . . . . . 7224 1 86 . 1 1 8 8 MET H H 1 7.90 0.01 . 1 . . . . . . . . 7224 1 87 . 1 1 8 8 MET CA C 13 54.4 0.5 . 1 . . . . . . . . 7224 1 88 . 1 1 8 8 MET HA H 1 4.34 0.01 . 1 . . . . . . . . 7224 1 89 . 1 1 8 8 MET CB C 13 29.5 0.5 . 1 . . . . . . . . 7224 1 90 . 1 1 8 8 MET HB2 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1 91 . 1 1 8 8 MET HB3 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1 92 . 1 1 8 8 MET CG C 13 36.0 0.5 . 1 . . . . . . . . 7224 1 93 . 1 1 8 8 MET HG2 H 1 2.32 0.01 . 1 . . . . . . . . 7224 1 94 . 1 1 8 8 MET HG3 H 1 2.32 0.01 . 1 . . . . . . . . 7224 1 95 . 1 1 8 8 MET HE1 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1 96 . 1 1 8 8 MET HE2 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1 97 . 1 1 8 8 MET HE3 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1 98 . 1 1 8 8 MET CE C 13 15.7 0.5 . 1 . . . . . . . . 7224 1 99 . 1 1 9 9 TYR N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1 100 . 1 1 9 9 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 7224 1 101 . 1 1 9 9 TYR CA C 13 59.9 0.5 . 1 . . . . . . . . 7224 1 102 . 1 1 9 9 TYR HA H 1 4.17 0.01 . 1 . . . . . . . . 7224 1 103 . 1 1 9 9 TYR CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1 104 . 1 1 9 9 TYR HB2 H 1 3.19 0.01 . 1 . . . . . . . . 7224 1 105 . 1 1 9 9 TYR HB3 H 1 3.19 0.01 . 1 . . . . . . . . 7224 1 106 . 1 1 9 9 TYR HD1 H 1 6.92 0.01 . 1 . . . . . . . . 7224 1 107 . 1 1 9 9 TYR HD2 H 1 6.92 0.01 . 1 . . . . . . . . 7224 1 108 . 1 1 9 9 TYR HE1 H 1 6.72 0.01 . 1 . . . . . . . . 7224 1 109 . 1 1 9 9 TYR HE2 H 1 6.72 0.01 . 1 . . . . . . . . 7224 1 110 . 1 1 9 9 TYR CD1 C 13 132.9 0.5 . 1 . . . . . . . . 7224 1 111 . 1 1 9 9 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 7224 1 112 . 1 1 10 10 LYS N N 15 119.0 0.5 . 1 . . . . . . . . 7224 1 113 . 1 1 10 10 LYS H H 1 6.76 0.01 . 1 . . . . . . . . 7224 1 114 . 1 1 10 10 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 7224 1 115 . 1 1 10 10 LYS HA H 1 3.20 0.01 . 1 . . . . . . . . 7224 1 116 . 1 1 10 10 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 7224 1 117 . 1 1 10 10 LYS HB2 H 1 0.17 0.01 . 2 . . . . . . . . 7224 1 118 . 1 1 10 10 LYS HB3 H 1 0.82 0.01 . 2 . . . . . . . . 7224 1 119 . 1 1 10 10 LYS CG C 13 22.8 0.5 . 1 . . . . . . . . 7224 1 120 . 1 1 10 10 LYS HG2 H 1 -0.77 0.01 . 2 . . . . . . . . 7224 1 121 . 1 1 10 10 LYS HG3 H 1 -0.53 0.01 . 2 . . . . . . . . 7224 1 122 . 1 1 10 10 LYS CD C 13 27.1 0.5 . 1 . . . . . . . . 7224 1 123 . 1 1 10 10 LYS HD2 H 1 0.27 0.01 . 2 . . . . . . . . 7224 1 124 . 1 1 10 10 LYS HD3 H 1 0.90 0.01 . 2 . . . . . . . . 7224 1 125 . 1 1 10 10 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7224 1 126 . 1 1 10 10 LYS HE2 H 1 2.17 0.01 . 2 . . . . . . . . 7224 1 127 . 1 1 10 10 LYS HE3 H 1 2.40 0.01 . 2 . . . . . . . . 7224 1 128 . 1 1 11 11 TYR N N 15 117.1 0.5 . 1 . . . . . . . . 7224 1 129 . 1 1 11 11 TYR H H 1 8.36 0.01 . 1 . . . . . . . . 7224 1 130 . 1 1 11 11 TYR CA C 13 55.3 0.5 . 1 . . . . . . . . 7224 1 131 . 1 1 11 11 TYR HA H 1 4.77 0.01 . 1 . . . . . . . . 7224 1 132 . 1 1 11 11 TYR CB C 13 38.0 0.5 . 1 . . . . . . . . 7224 1 133 . 1 1 11 11 TYR HB2 H 1 2.63 0.01 . 2 . . . . . . . . 7224 1 134 . 1 1 11 11 TYR HB3 H 1 2.78 0.01 . 2 . . . . . . . . 7224 1 135 . 1 1 11 11 TYR HD1 H 1 7.04 0.01 . 1 . . . . . . . . 7224 1 136 . 1 1 11 11 TYR HD2 H 1 7.04 0.01 . 1 . . . . . . . . 7224 1 137 . 1 1 11 11 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 7224 1 138 . 1 1 11 11 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 7224 1 139 . 1 1 11 11 TYR CD1 C 13 132.8 0.5 . 1 . . . . . . . . 7224 1 140 . 1 1 11 11 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 7224 1 141 . 1 1 12 12 PRO CD C 13 49.8 0.5 . 1 . . . . . . . . 7224 1 142 . 1 1 12 12 PRO CA C 13 64.4 0.5 . 1 . . . . . . . . 7224 1 143 . 1 1 12 12 PRO HA H 1 4.66 0.01 . 1 . . . . . . . . 7224 1 144 . 1 1 12 12 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1 145 . 1 1 12 12 PRO HB2 H 1 1.82 0.01 . 2 . . . . . . . . 7224 1 146 . 1 1 12 12 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 7224 1 147 . 1 1 12 12 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 7224 1 148 . 1 1 12 12 PRO HG2 H 1 1.70 0.01 . 2 . . . . . . . . 7224 1 149 . 1 1 12 12 PRO HG3 H 1 1.83 0.01 . 2 . . . . . . . . 7224 1 150 . 1 1 12 12 PRO HD2 H 1 3.40 0.01 . 2 . . . . . . . . 7224 1 151 . 1 1 12 12 PRO HD3 H 1 3.04 0.01 . 2 . . . . . . . . 7224 1 152 . 1 1 13 13 ASN N N 15 113.8 0.5 . 1 . . . . . . . . 7224 1 153 . 1 1 13 13 ASN H H 1 8.52 0.01 . 1 . . . . . . . . 7224 1 154 . 1 1 13 13 ASN CA C 13 52.5 0.5 . 1 . . . . . . . . 7224 1 155 . 1 1 13 13 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 7224 1 156 . 1 1 13 13 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1 157 . 1 1 13 13 ASN HB2 H 1 2.71 0.01 . 2 . . . . . . . . 7224 1 158 . 1 1 13 13 ASN HB3 H 1 2.87 0.01 . 2 . . . . . . . . 7224 1 159 . 1 1 13 13 ASN ND2 N 15 113.4 0.5 . 1 . . . . . . . . 7224 1 160 . 1 1 13 13 ASN HD21 H 1 7.54 0.01 . 2 . . . . . . . . 7224 1 161 . 1 1 13 13 ASN HD22 H 1 6.92 0.01 . 2 . . . . . . . . 7224 1 162 . 1 1 14 14 ALA N N 15 125.4 0.5 . 1 . . . . . . . . 7224 1 163 . 1 1 14 14 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 7224 1 164 . 1 1 14 14 ALA CA C 13 52.7 0.5 . 1 . . . . . . . . 7224 1 165 . 1 1 14 14 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . 7224 1 166 . 1 1 14 14 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1 167 . 1 1 14 14 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1 168 . 1 1 14 14 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1 169 . 1 1 14 14 ALA CB C 13 20.0 0.5 . 1 . . . . . . . . 7224 1 170 . 1 1 15 15 VAL N N 15 122.3 0.5 . 1 . . . . . . . . 7224 1 171 . 1 1 15 15 VAL H H 1 9.88 0.01 . 1 . . . . . . . . 7224 1 172 . 1 1 15 15 VAL CA C 13 61.4 0.5 . 1 . . . . . . . . 7224 1 173 . 1 1 15 15 VAL HA H 1 4.18 0.01 . 1 . . . . . . . . 7224 1 174 . 1 1 15 15 VAL CB C 13 33.6 0.5 . 1 . . . . . . . . 7224 1 175 . 1 1 15 15 VAL HB H 1 1.86 0.01 . 1 . . . . . . . . 7224 1 176 . 1 1 15 15 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1 177 . 1 1 15 15 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1 178 . 1 1 15 15 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1 179 . 1 1 15 15 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1 180 . 1 1 15 15 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1 181 . 1 1 15 15 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1 182 . 1 1 15 15 VAL CG1 C 13 21.0 0.5 . 1 . . . . . . . . 7224 1 183 . 1 1 15 15 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7224 1 184 . 1 1 16 16 SER N N 15 125.1 0.5 . 1 . . . . . . . . 7224 1 185 . 1 1 16 16 SER H H 1 8.68 0.01 . 1 . . . . . . . . 7224 1 186 . 1 1 16 16 SER CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1 187 . 1 1 16 16 SER HA H 1 2.91 0.01 . 1 . . . . . . . . 7224 1 188 . 1 1 16 16 SER CB C 13 62.8 0.5 . 1 . . . . . . . . 7224 1 189 . 1 1 16 16 SER HB2 H 1 3.86 0.01 . 2 . . . . . . . . 7224 1 190 . 1 1 16 16 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 7224 1 191 . 1 1 17 17 ARG N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1 192 . 1 1 17 17 ARG H H 1 8.25 0.01 . 1 . . . . . . . . 7224 1 193 . 1 1 17 17 ARG CA C 13 60.7 0.5 . 1 . . . . . . . . 7224 1 194 . 1 1 17 17 ARG HA H 1 3.66 0.01 . 1 . . . . . . . . 7224 1 195 . 1 1 17 17 ARG CB C 13 28.0 0.5 . 1 . . . . . . . . 7224 1 196 . 1 1 17 17 ARG HB2 H 1 1.65 0.01 . 2 . . . . . . . . 7224 1 197 . 1 1 17 17 ARG HB3 H 1 1.58 0.01 . 2 . . . . . . . . 7224 1 198 . 1 1 17 17 ARG CG C 13 28.1 0.5 . 1 . . . . . . . . 7224 1 199 . 1 1 17 17 ARG HG2 H 1 2.00 0.01 . 2 . . . . . . . . 7224 1 200 . 1 1 17 17 ARG HG3 H 1 2.26 0.01 . 2 . . . . . . . . 7224 1 201 . 1 1 17 17 ARG CD C 13 43.3 0.5 . 1 . . . . . . . . 7224 1 202 . 1 1 17 17 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 7224 1 203 . 1 1 17 17 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 7224 1 204 . 1 1 18 18 LYS N N 15 119.0 0.5 . 1 . . . . . . . . 7224 1 205 . 1 1 18 18 LYS H H 1 7.62 0.01 . 1 . . . . . . . . 7224 1 206 . 1 1 18 18 LYS CA C 13 57.9 0.5 . 1 . . . . . . . . 7224 1 207 . 1 1 18 18 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 7224 1 208 . 1 1 18 18 LYS CB C 13 33.9 0.5 . 1 . . . . . . . . 7224 1 209 . 1 1 18 18 LYS HB2 H 1 1.65 0.01 . 2 . . . . . . . . 7224 1 210 . 1 1 18 18 LYS HB3 H 1 1.56 0.01 . 2 . . . . . . . . 7224 1 211 . 1 1 18 18 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 7224 1 212 . 1 1 18 18 LYS HG2 H 1 1.22 0.01 . 2 . . . . . . . . 7224 1 213 . 1 1 18 18 LYS HG3 H 1 1.36 0.01 . 2 . . . . . . . . 7224 1 214 . 1 1 18 18 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 215 . 1 1 18 18 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 7224 1 216 . 1 1 18 18 LYS HD3 H 1 1.80 0.01 . 2 . . . . . . . . 7224 1 217 . 1 1 18 18 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7224 1 218 . 1 1 18 18 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 7224 1 219 . 1 1 18 18 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 7224 1 220 . 1 1 19 19 ASP N N 15 116.7 0.5 . 1 . . . . . . . . 7224 1 221 . 1 1 19 19 ASP H H 1 8.79 0.01 . 1 . . . . . . . . 7224 1 222 . 1 1 19 19 ASP CA C 13 56.4 0.5 . 1 . . . . . . . . 7224 1 223 . 1 1 19 19 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 7224 1 224 . 1 1 19 19 ASP CB C 13 42.2 0.5 . 1 . . . . . . . . 7224 1 225 . 1 1 19 19 ASP HB2 H 1 2.43 0.01 . 1 . . . . . . . . 7224 1 226 . 1 1 19 19 ASP HB3 H 1 2.43 0.01 . 1 . . . . . . . . 7224 1 227 . 1 1 20 20 PHE N N 15 111.1 0.5 . 1 . . . . . . . . 7224 1 228 . 1 1 20 20 PHE H H 1 6.96 0.01 . 1 . . . . . . . . 7224 1 229 . 1 1 20 20 PHE CA C 13 55.7 0.5 . 1 . . . . . . . . 7224 1 230 . 1 1 20 20 PHE HA H 1 4.86 0.01 . 1 . . . . . . . . 7224 1 231 . 1 1 20 20 PHE CB C 13 40.9 0.5 . 1 . . . . . . . . 7224 1 232 . 1 1 20 20 PHE HB2 H 1 3.24 0.01 . 2 . . . . . . . . 7224 1 233 . 1 1 20 20 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 7224 1 234 . 1 1 20 20 PHE HD1 H 1 6.75 0.01 . 1 . . . . . . . . 7224 1 235 . 1 1 20 20 PHE HD2 H 1 6.75 0.01 . 1 . . . . . . . . 7224 1 236 . 1 1 20 20 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 7224 1 237 . 1 1 20 20 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 7224 1 238 . 1 1 20 20 PHE CD1 C 13 130.8 0.5 . 1 . . . . . . . . 7224 1 239 . 1 1 20 20 PHE CE1 C 13 130.3 0.5 . 1 . . . . . . . . 7224 1 240 . 1 1 20 20 PHE CZ C 13 129.3 0.5 . 1 . . . . . . . . 7224 1 241 . 1 1 20 20 PHE HZ H 1 7.17 0.01 . 1 . . . . . . . . 7224 1 242 . 1 1 21 21 GLU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1 243 . 1 1 21 21 GLU H H 1 9.04 0.01 . 1 . . . . . . . . 7224 1 244 . 1 1 21 21 GLU CA C 13 56.0 0.5 . 1 . . . . . . . . 7224 1 245 . 1 1 21 21 GLU HA H 1 4.80 0.01 . 1 . . . . . . . . 7224 1 246 . 1 1 21 21 GLU CB C 13 34.0 0.5 . 1 . . . . . . . . 7224 1 247 . 1 1 21 21 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 7224 1 248 . 1 1 21 21 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 7224 1 249 . 1 1 21 21 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 7224 1 250 . 1 1 21 21 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 7224 1 251 . 1 1 21 21 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 7224 1 252 . 1 1 22 22 LEU N N 15 126.0 0.5 . 1 . . . . . . . . 7224 1 253 . 1 1 22 22 LEU H H 1 9.29 0.01 . 1 . . . . . . . . 7224 1 254 . 1 1 22 22 LEU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1 255 . 1 1 22 22 LEU HA H 1 5.31 0.01 . 1 . . . . . . . . 7224 1 256 . 1 1 22 22 LEU CB C 13 42.6 0.5 . 1 . . . . . . . . 7224 1 257 . 1 1 22 22 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 7224 1 258 . 1 1 22 22 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 7224 1 259 . 1 1 22 22 LEU CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1 260 . 1 1 22 22 LEU HG H 1 2.14 0.01 . 1 . . . . . . . . 7224 1 261 . 1 1 22 22 LEU HD11 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1 262 . 1 1 22 22 LEU HD12 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1 263 . 1 1 22 22 LEU HD13 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1 264 . 1 1 22 22 LEU HD21 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1 265 . 1 1 22 22 LEU HD22 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1 266 . 1 1 22 22 LEU HD23 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1 267 . 1 1 22 22 LEU CD1 C 13 25.8 0.5 . 1 . . . . . . . . 7224 1 268 . 1 1 22 22 LEU CD2 C 13 23.9 0.5 . 1 . . . . . . . . 7224 1 269 . 1 1 23 23 ARG N N 15 121.8 0.5 . 1 . . . . . . . . 7224 1 270 . 1 1 23 23 ARG H H 1 8.60 0.01 . 1 . . . . . . . . 7224 1 271 . 1 1 23 23 ARG CA C 13 54.6 0.5 . 1 . . . . . . . . 7224 1 272 . 1 1 23 23 ARG HA H 1 4.48 0.01 . 1 . . . . . . . . 7224 1 273 . 1 1 23 23 ARG CB C 13 34.4 0.5 . 1 . . . . . . . . 7224 1 274 . 1 1 23 23 ARG HB2 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1 275 . 1 1 23 23 ARG HB3 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1 276 . 1 1 23 23 ARG CG C 13 27.7 0.5 . 1 . . . . . . . . 7224 1 277 . 1 1 23 23 ARG HG2 H 1 1.39 0.01 . 2 . . . . . . . . 7224 1 278 . 1 1 23 23 ARG HG3 H 1 1.47 0.01 . 2 . . . . . . . . 7224 1 279 . 1 1 23 23 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 7224 1 280 . 1 1 23 23 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 7224 1 281 . 1 1 23 23 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 7224 1 282 . 1 1 24 24 ASN N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1 283 . 1 1 24 24 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 7224 1 284 . 1 1 24 24 ASN CA C 13 52.9 0.5 . 1 . . . . . . . . 7224 1 285 . 1 1 24 24 ASN HA H 1 5.08 0.01 . 1 . . . . . . . . 7224 1 286 . 1 1 24 24 ASN CB C 13 40.1 0.5 . 1 . . . . . . . . 7224 1 287 . 1 1 24 24 ASN HB2 H 1 2.88 0.01 . 2 . . . . . . . . 7224 1 288 . 1 1 24 24 ASN HB3 H 1 2.69 0.01 . 2 . . . . . . . . 7224 1 289 . 1 1 24 24 ASN ND2 N 15 112.3 0.5 . 1 . . . . . . . . 7224 1 290 . 1 1 24 24 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . 7224 1 291 . 1 1 24 24 ASN HD22 H 1 7.01 0.01 . 2 . . . . . . . . 7224 1 292 . 1 1 25 25 ASP N N 15 124.9 0.5 . 1 . . . . . . . . 7224 1 293 . 1 1 25 25 ASP H H 1 9.10 0.01 . 1 . . . . . . . . 7224 1 294 . 1 1 25 25 ASP CA C 13 53.7 0.5 . 1 . . . . . . . . 7224 1 295 . 1 1 25 25 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 7224 1 296 . 1 1 25 25 ASP CB C 13 41.8 0.5 . 1 . . . . . . . . 7224 1 297 . 1 1 25 25 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 7224 1 298 . 1 1 25 25 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 7224 1 299 . 1 1 26 26 GLY N N 15 108.3 0.5 . 1 . . . . . . . . 7224 1 300 . 1 1 26 26 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 7224 1 301 . 1 1 26 26 GLY CA C 13 45.6 0.5 . 1 . . . . . . . . 7224 1 302 . 1 1 26 26 GLY HA2 H 1 4.33 0.01 . 2 . . . . . . . . 7224 1 303 . 1 1 26 26 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 7224 1 304 . 1 1 27 27 ASN N N 15 118.5 0.5 . 1 . . . . . . . . 7224 1 305 . 1 1 27 27 ASN H H 1 8.56 0.01 . 1 . . . . . . . . 7224 1 306 . 1 1 27 27 ASN CA C 13 52.8 0.5 . 1 . . . . . . . . 7224 1 307 . 1 1 27 27 ASN HA H 1 5.04 0.01 . 1 . . . . . . . . 7224 1 308 . 1 1 27 27 ASN CB C 13 39.8 0.5 . 1 . . . . . . . . 7224 1 309 . 1 1 27 27 ASN HB2 H 1 2.68 0.01 . 2 . . . . . . . . 7224 1 310 . 1 1 27 27 ASN HB3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1 311 . 1 1 27 27 ASN ND2 N 15 113.8 0.5 . 1 . . . . . . . . 7224 1 312 . 1 1 27 27 ASN HD21 H 1 7.67 0.01 . 2 . . . . . . . . 7224 1 313 . 1 1 27 27 ASN HD22 H 1 6.90 0.01 . 2 . . . . . . . . 7224 1 314 . 1 1 28 28 GLY N N 15 109.1 0.5 . 1 . . . . . . . . 7224 1 315 . 1 1 28 28 GLY H H 1 8.00 0.01 . 1 . . . . . . . . 7224 1 316 . 1 1 28 28 GLY CA C 13 44.5 0.5 . 1 . . . . . . . . 7224 1 317 . 1 1 28 28 GLY HA2 H 1 3.87 0.01 . 2 . . . . . . . . 7224 1 318 . 1 1 28 28 GLY HA3 H 1 4.46 0.01 . 2 . . . . . . . . 7224 1 319 . 1 1 29 29 SER N N 15 116.7 0.5 . 1 . . . . . . . . 7224 1 320 . 1 1 29 29 SER H H 1 8.33 0.01 . 1 . . . . . . . . 7224 1 321 . 1 1 29 29 SER CA C 13 58.3 0.5 . 1 . . . . . . . . 7224 1 322 . 1 1 29 29 SER HA H 1 5.27 0.01 . 1 . . . . . . . . 7224 1 323 . 1 1 29 29 SER CB C 13 64.8 0.5 . 1 . . . . . . . . 7224 1 324 . 1 1 29 29 SER HB2 H 1 3.75 0.01 . 1 . . . . . . . . 7224 1 325 . 1 1 29 29 SER HB3 H 1 3.75 0.01 . 1 . . . . . . . . 7224 1 326 . 1 1 30 30 TYR N N 15 120.3 0.5 . 1 . . . . . . . . 7224 1 327 . 1 1 30 30 TYR H H 1 9.00 0.01 . 1 . . . . . . . . 7224 1 328 . 1 1 30 30 TYR CA C 13 55.9 0.5 . 1 . . . . . . . . 7224 1 329 . 1 1 30 30 TYR HA H 1 4.78 0.01 . 1 . . . . . . . . 7224 1 330 . 1 1 30 30 TYR CB C 13 40.8 0.5 . 1 . . . . . . . . 7224 1 331 . 1 1 30 30 TYR HB2 H 1 2.92 0.01 . 2 . . . . . . . . 7224 1 332 . 1 1 30 30 TYR HB3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1 333 . 1 1 30 30 TYR HD1 H 1 6.96 0.01 . 1 . . . . . . . . 7224 1 334 . 1 1 30 30 TYR HD2 H 1 6.96 0.01 . 1 . . . . . . . . 7224 1 335 . 1 1 30 30 TYR HE1 H 1 6.71 0.01 . 1 . . . . . . . . 7224 1 336 . 1 1 30 30 TYR HE2 H 1 6.71 0.01 . 1 . . . . . . . . 7224 1 337 . 1 1 30 30 TYR CD1 C 13 133.7 0.5 . 1 . . . . . . . . 7224 1 338 . 1 1 30 30 TYR CE1 C 13 116.8 0.5 . 1 . . . . . . . . 7224 1 339 . 1 1 31 31 ILE N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1 340 . 1 1 31 31 ILE H H 1 8.95 0.01 . 1 . . . . . . . . 7224 1 341 . 1 1 31 31 ILE CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1 342 . 1 1 31 31 ILE HA H 1 4.08 0.01 . 1 . . . . . . . . 7224 1 343 . 1 1 31 31 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 7224 1 344 . 1 1 31 31 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 7224 1 345 . 1 1 31 31 ILE HG21 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1 346 . 1 1 31 31 ILE HG22 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1 347 . 1 1 31 31 ILE HG23 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1 348 . 1 1 31 31 ILE CG2 C 13 19.1 0.5 . 1 . . . . . . . . 7224 1 349 . 1 1 31 31 ILE CG1 C 13 28.5 0.5 . 1 . . . . . . . . 7224 1 350 . 1 1 31 31 ILE HG12 H 1 0.81 0.01 . 2 . . . . . . . . 7224 1 351 . 1 1 31 31 ILE HG13 H 1 1.84 0.01 . 2 . . . . . . . . 7224 1 352 . 1 1 31 31 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1 353 . 1 1 31 31 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1 354 . 1 1 31 31 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1 355 . 1 1 31 31 ILE CD1 C 13 14.0 0.5 . 1 . . . . . . . . 7224 1 356 . 1 1 32 32 GLU N N 15 132.2 0.5 . 1 . . . . . . . . 7224 1 357 . 1 1 32 32 GLU H H 1 8.90 0.01 . 1 . . . . . . . . 7224 1 358 . 1 1 32 32 GLU CA C 13 57.1 0.5 . 1 . . . . . . . . 7224 1 359 . 1 1 32 32 GLU HA H 1 4.63 0.01 . 1 . . . . . . . . 7224 1 360 . 1 1 32 32 GLU CB C 13 31.5 0.5 . 1 . . . . . . . . 7224 1 361 . 1 1 32 32 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 7224 1 362 . 1 1 32 32 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 7224 1 363 . 1 1 32 32 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 7224 1 364 . 1 1 32 32 GLU HG2 H 1 2.25 0.01 . 1 . . . . . . . . 7224 1 365 . 1 1 32 32 GLU HG3 H 1 2.25 0.01 . 1 . . . . . . . . 7224 1 366 . 1 1 33 33 LYS N N 15 115.9 0.5 . 1 . . . . . . . . 7224 1 367 . 1 1 33 33 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 7224 1 368 . 1 1 33 33 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 7224 1 369 . 1 1 33 33 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 7224 1 370 . 1 1 33 33 LYS CB C 13 36.5 0.5 . 1 . . . . . . . . 7224 1 371 . 1 1 33 33 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 7224 1 372 . 1 1 33 33 LYS HB3 H 1 1.68 0.01 . 1 . . . . . . . . 7224 1 373 . 1 1 33 33 LYS CG C 13 24.9 0.5 . 1 . . . . . . . . 7224 1 374 . 1 1 33 33 LYS HG2 H 1 1.34 0.01 . 2 . . . . . . . . 7224 1 375 . 1 1 33 33 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1 376 . 1 1 33 33 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 377 . 1 1 33 33 LYS HD2 H 1 1.71 0.01 . 2 . . . . . . . . 7224 1 378 . 1 1 33 33 LYS HD3 H 1 1.64 0.01 . 2 . . . . . . . . 7224 1 379 . 1 1 33 33 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 7224 1 380 . 1 1 33 33 LYS HE2 H 1 2.91 0.01 . 2 . . . . . . . . 7224 1 381 . 1 1 33 33 LYS HE3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1 382 . 1 1 34 34 TRP N N 15 125.7 0.5 . 1 . . . . . . . . 7224 1 383 . 1 1 34 34 TRP H H 1 9.08 0.01 . 1 . . . . . . . . 7224 1 384 . 1 1 34 34 TRP CA C 13 57.1 0.5 . 1 . . . . . . . . 7224 1 385 . 1 1 34 34 TRP HA H 1 4.92 0.01 . 1 . . . . . . . . 7224 1 386 . 1 1 34 34 TRP CB C 13 32.4 0.5 . 1 . . . . . . . . 7224 1 387 . 1 1 34 34 TRP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 7224 1 388 . 1 1 34 34 TRP HB3 H 1 3.43 0.01 . 2 . . . . . . . . 7224 1 389 . 1 1 34 34 TRP CD1 C 13 127.5 0.5 . 1 . . . . . . . . 7224 1 390 . 1 1 34 34 TRP CE3 C 13 119.5 0.5 . 1 . . . . . . . . 7224 1 391 . 1 1 34 34 TRP NE1 N 15 130.9 0.5 . 1 . . . . . . . . 7224 1 392 . 1 1 34 34 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 7224 1 393 . 1 1 34 34 TRP HE3 H 1 7.64 0.01 . 1 . . . . . . . . 7224 1 394 . 1 1 34 34 TRP CZ3 C 13 120.0 0.5 . 1 . . . . . . . . 7224 1 395 . 1 1 34 34 TRP CZ2 C 13 115.1 0.5 . 1 . . . . . . . . 7224 1 396 . 1 1 34 34 TRP HE1 H 1 9.68 0.01 . 1 . . . . . . . . 7224 1 397 . 1 1 34 34 TRP HZ3 H 1 6.58 0.01 . 1 . . . . . . . . 7224 1 398 . 1 1 34 34 TRP CH2 C 13 123.7 0.5 . 1 . . . . . . . . 7224 1 399 . 1 1 34 34 TRP HZ2 H 1 6.94 0.01 . 1 . . . . . . . . 7224 1 400 . 1 1 34 34 TRP HH2 H 1 6.90 0.01 . 1 . . . . . . . . 7224 1 401 . 1 1 35 35 ASN N N 15 124.0 0.5 . 1 . . . . . . . . 7224 1 402 . 1 1 35 35 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 7224 1 403 . 1 1 35 35 ASN CA C 13 52.3 0.5 . 1 . . . . . . . . 7224 1 404 . 1 1 35 35 ASN HA H 1 5.09 0.01 . 1 . . . . . . . . 7224 1 405 . 1 1 35 35 ASN CB C 13 39.9 0.5 . 1 . . . . . . . . 7224 1 406 . 1 1 35 35 ASN HB2 H 1 2.50 0.01 . 2 . . . . . . . . 7224 1 407 . 1 1 35 35 ASN HB3 H 1 3.02 0.01 . 2 . . . . . . . . 7224 1 408 . 1 1 35 35 ASN ND2 N 15 112.0 0.5 . 1 . . . . . . . . 7224 1 409 . 1 1 35 35 ASN HD21 H 1 7.20 0.01 . 2 . . . . . . . . 7224 1 410 . 1 1 35 35 ASN HD22 H 1 6.73 0.01 . 2 . . . . . . . . 7224 1 411 . 1 1 36 36 LEU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1 412 . 1 1 36 36 LEU H H 1 5.47 0.01 . 1 . . . . . . . . 7224 1 413 . 1 1 36 36 LEU CA C 13 54.4 0.5 . 1 . . . . . . . . 7224 1 414 . 1 1 36 36 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 7224 1 415 . 1 1 36 36 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 7224 1 416 . 1 1 36 36 LEU HB2 H 1 0.34 0.01 . 2 . . . . . . . . 7224 1 417 . 1 1 36 36 LEU HB3 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1 418 . 1 1 36 36 LEU CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1 419 . 1 1 36 36 LEU HG H 1 0.85 0.01 . 1 . . . . . . . . 7224 1 420 . 1 1 36 36 LEU HD11 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1 421 . 1 1 36 36 LEU HD12 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1 422 . 1 1 36 36 LEU HD13 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1 423 . 1 1 36 36 LEU HD21 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1 424 . 1 1 36 36 LEU HD22 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1 425 . 1 1 36 36 LEU HD23 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1 426 . 1 1 36 36 LEU CD1 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1 427 . 1 1 36 36 LEU CD2 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1 428 . 1 1 37 37 ARG N N 15 121.4 0.5 . 1 . . . . . . . . 7224 1 429 . 1 1 37 37 ARG H H 1 8.39 0.01 . 1 . . . . . . . . 7224 1 430 . 1 1 37 37 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 7224 1 431 . 1 1 37 37 ARG HA H 1 4.31 0.01 . 1 . . . . . . . . 7224 1 432 . 1 1 37 37 ARG CB C 13 28.1 0.5 . 1 . . . . . . . . 7224 1 433 . 1 1 37 37 ARG HB2 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1 434 . 1 1 37 37 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 7224 1 435 . 1 1 37 37 ARG CG C 13 27.1 0.5 . 1 . . . . . . . . 7224 1 436 . 1 1 37 37 ARG HG2 H 1 1.63 0.01 . 2 . . . . . . . . 7224 1 437 . 1 1 37 37 ARG HG3 H 1 1.69 0.01 . 2 . . . . . . . . 7224 1 438 . 1 1 37 37 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 7224 1 439 . 1 1 37 37 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 7224 1 440 . 1 1 37 37 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 7224 1 441 . 1 1 38 38 ALA N N 15 123.6 0.5 . 1 . . . . . . . . 7224 1 442 . 1 1 38 38 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 7224 1 443 . 1 1 38 38 ALA CA C 13 50.6 0.5 . 1 . . . . . . . . 7224 1 444 . 1 1 38 38 ALA HA H 1 4.70 0.01 . 1 . . . . . . . . 7224 1 445 . 1 1 38 38 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1 446 . 1 1 38 38 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1 447 . 1 1 38 38 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1 448 . 1 1 38 38 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 7224 1 449 . 1 1 39 39 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1 450 . 1 1 39 39 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1 451 . 1 1 39 39 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 7224 1 452 . 1 1 39 39 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1 453 . 1 1 39 39 PRO HB2 H 1 1.87 0.01 . 2 . . . . . . . . 7224 1 454 . 1 1 39 39 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 7224 1 455 . 1 1 39 39 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1 456 . 1 1 39 39 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1 457 . 1 1 39 39 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1 458 . 1 1 39 39 PRO HD2 H 1 3.71 0.01 . 2 . . . . . . . . 7224 1 459 . 1 1 39 39 PRO HD3 H 1 3.91 0.01 . 2 . . . . . . . . 7224 1 460 . 1 1 40 40 LEU N N 15 125.1 0.5 . 1 . . . . . . . . 7224 1 461 . 1 1 40 40 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 7224 1 462 . 1 1 40 40 LEU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1 463 . 1 1 40 40 LEU HA H 1 2.79 0.01 . 1 . . . . . . . . 7224 1 464 . 1 1 40 40 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 7224 1 465 . 1 1 40 40 LEU HB2 H 1 1.42 0.01 . 2 . . . . . . . . 7224 1 466 . 1 1 40 40 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 7224 1 467 . 1 1 40 40 LEU CG C 13 26.1 0.5 . 1 . . . . . . . . 7224 1 468 . 1 1 40 40 LEU HG H 1 1.20 0.01 . 1 . . . . . . . . 7224 1 469 . 1 1 40 40 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 470 . 1 1 40 40 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 471 . 1 1 40 40 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 472 . 1 1 40 40 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1 473 . 1 1 40 40 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1 474 . 1 1 40 40 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1 475 . 1 1 40 40 LEU CD1 C 13 24.8 0.5 . 1 . . . . . . . . 7224 1 476 . 1 1 40 40 LEU CD2 C 13 25.5 0.5 . 1 . . . . . . . . 7224 1 477 . 1 1 41 41 PRO CD C 13 49.8 0.5 . 1 . . . . . . . . 7224 1 478 . 1 1 41 41 PRO CA C 13 62.3 0.5 . 1 . . . . . . . . 7224 1 479 . 1 1 41 41 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 7224 1 480 . 1 1 41 41 PRO CB C 13 32.7 0.5 . 1 . . . . . . . . 7224 1 481 . 1 1 41 41 PRO HB2 H 1 1.29 0.01 . 2 . . . . . . . . 7224 1 482 . 1 1 41 41 PRO HB3 H 1 2.07 0.01 . 2 . . . . . . . . 7224 1 483 . 1 1 41 41 PRO CG C 13 27.7 0.5 . 1 . . . . . . . . 7224 1 484 . 1 1 41 41 PRO HG2 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1 485 . 1 1 41 41 PRO HG3 H 1 1.89 0.01 . 2 . . . . . . . . 7224 1 486 . 1 1 41 41 PRO HD2 H 1 2.12 0.01 . 2 . . . . . . . . 7224 1 487 . 1 1 41 41 PRO HD3 H 1 2.60 0.01 . 2 . . . . . . . . 7224 1 488 . 1 1 42 42 THR N N 15 111.9 0.5 . 1 . . . . . . . . 7224 1 489 . 1 1 42 42 THR H H 1 8.29 0.01 . 1 . . . . . . . . 7224 1 490 . 1 1 42 42 THR CA C 13 60.0 0.5 . 1 . . . . . . . . 7224 1 491 . 1 1 42 42 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 7224 1 492 . 1 1 42 42 THR CB C 13 71.5 0.5 . 1 . . . . . . . . 7224 1 493 . 1 1 42 42 THR HB H 1 4.57 0.01 . 1 . . . . . . . . 7224 1 494 . 1 1 42 42 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1 495 . 1 1 42 42 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1 496 . 1 1 42 42 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1 497 . 1 1 42 42 THR CG2 C 13 21.9 0.5 . 1 . . . . . . . . 7224 1 498 . 1 1 43 43 GLN N N 15 120.5 0.5 . 1 . . . . . . . . 7224 1 499 . 1 1 43 43 GLN H H 1 8.68 0.01 . 1 . . . . . . . . 7224 1 500 . 1 1 43 43 GLN CA C 13 59.3 0.5 . 1 . . . . . . . . 7224 1 501 . 1 1 43 43 GLN HA H 1 3.77 0.01 . 1 . . . . . . . . 7224 1 502 . 1 1 43 43 GLN CB C 13 27.6 0.5 . 1 . . . . . . . . 7224 1 503 . 1 1 43 43 GLN HB2 H 1 2.14 0.01 . 2 . . . . . . . . 7224 1 504 . 1 1 43 43 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 7224 1 505 . 1 1 43 43 GLN CG C 13 32.7 0.5 . 1 . . . . . . . . 7224 1 506 . 1 1 43 43 GLN HG2 H 1 2.34 0.01 . 2 . . . . . . . . 7224 1 507 . 1 1 43 43 GLN HG3 H 1 2.37 0.01 . 2 . . . . . . . . 7224 1 508 . 1 1 43 43 GLN NE2 N 15 111.5 0.5 . 1 . . . . . . . . 7224 1 509 . 1 1 43 43 GLN HE21 H 1 7.84 0.01 . 2 . . . . . . . . 7224 1 510 . 1 1 43 43 GLN HE22 H 1 6.57 0.01 . 2 . . . . . . . . 7224 1 511 . 1 1 44 44 ALA N N 15 118.3 0.5 . 1 . . . . . . . . 7224 1 512 . 1 1 44 44 ALA H H 1 8.09 0.01 . 1 . . . . . . . . 7224 1 513 . 1 1 44 44 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 7224 1 514 . 1 1 44 44 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 7224 1 515 . 1 1 44 44 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1 516 . 1 1 44 44 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1 517 . 1 1 44 44 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1 518 . 1 1 44 44 ALA CB C 13 18.2 0.5 . 1 . . . . . . . . 7224 1 519 . 1 1 45 45 GLU N N 15 119.4 0.5 . 1 . . . . . . . . 7224 1 520 . 1 1 45 45 GLU H H 1 7.35 0.01 . 1 . . . . . . . . 7224 1 521 . 1 1 45 45 GLU CA C 13 59.0 0.5 . 1 . . . . . . . . 7224 1 522 . 1 1 45 45 GLU HA H 1 3.42 0.01 . 1 . . . . . . . . 7224 1 523 . 1 1 45 45 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 7224 1 524 . 1 1 45 45 GLU HB2 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1 525 . 1 1 45 45 GLU HB3 H 1 0.98 0.01 . 2 . . . . . . . . 7224 1 526 . 1 1 45 45 GLU CG C 13 37.5 0.5 . 1 . . . . . . . . 7224 1 527 . 1 1 45 45 GLU HG2 H 1 2.02 0.01 . 2 . . . . . . . . 7224 1 528 . 1 1 45 45 GLU HG3 H 1 2.09 0.01 . 2 . . . . . . . . 7224 1 529 . 1 1 46 46 LEU N N 15 117.6 0.5 . 1 . . . . . . . . 7224 1 530 . 1 1 46 46 LEU H H 1 7.59 0.01 . 1 . . . . . . . . 7224 1 531 . 1 1 46 46 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . 7224 1 532 . 1 1 46 46 LEU HA H 1 3.31 0.01 . 1 . . . . . . . . 7224 1 533 . 1 1 46 46 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . 7224 1 534 . 1 1 46 46 LEU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 7224 1 535 . 1 1 46 46 LEU HB3 H 1 1.16 0.01 . 2 . . . . . . . . 7224 1 536 . 1 1 46 46 LEU CG C 13 26.5 0.5 . 1 . . . . . . . . 7224 1 537 . 1 1 46 46 LEU HG H 1 1.22 0.01 . 1 . . . . . . . . 7224 1 538 . 1 1 46 46 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 539 . 1 1 46 46 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 540 . 1 1 46 46 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1 541 . 1 1 46 46 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1 542 . 1 1 46 46 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1 543 . 1 1 46 46 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1 544 . 1 1 46 46 LEU CD1 C 13 25.4 0.5 . 1 . . . . . . . . 7224 1 545 . 1 1 46 46 LEU CD2 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1 546 . 1 1 47 47 GLU N N 15 116.0 0.5 . 1 . . . . . . . . 7224 1 547 . 1 1 47 47 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 7224 1 548 . 1 1 47 47 GLU CA C 13 59.5 0.5 . 1 . . . . . . . . 7224 1 549 . 1 1 47 47 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 7224 1 550 . 1 1 47 47 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 551 . 1 1 47 47 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 7224 1 552 . 1 1 47 47 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 7224 1 553 . 1 1 47 47 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 7224 1 554 . 1 1 47 47 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 7224 1 555 . 1 1 47 47 GLU HG3 H 1 2.47 0.01 . 2 . . . . . . . . 7224 1 556 . 1 1 48 48 THR N N 15 118.0 0.5 . 1 . . . . . . . . 7224 1 557 . 1 1 48 48 THR H H 1 7.76 0.01 . 1 . . . . . . . . 7224 1 558 . 1 1 48 48 THR CA C 13 66.8 0.5 . 1 . . . . . . . . 7224 1 559 . 1 1 48 48 THR HA H 1 4.04 0.01 . 1 . . . . . . . . 7224 1 560 . 1 1 48 48 THR CB C 13 68.5 0.5 . 1 . . . . . . . . 7224 1 561 . 1 1 48 48 THR HB H 1 4.35 0.01 . 1 . . . . . . . . 7224 1 562 . 1 1 48 48 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1 563 . 1 1 48 48 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1 564 . 1 1 48 48 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1 565 . 1 1 48 48 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 7224 1 566 . 1 1 49 49 TRP N N 15 124.6 0.5 . 1 . . . . . . . . 7224 1 567 . 1 1 49 49 TRP H H 1 8.74 0.01 . 1 . . . . . . . . 7224 1 568 . 1 1 49 49 TRP CA C 13 58.2 0.5 . 1 . . . . . . . . 7224 1 569 . 1 1 49 49 TRP HA H 1 4.61 0.01 . 1 . . . . . . . . 7224 1 570 . 1 1 49 49 TRP CB C 13 29.1 0.5 . 1 . . . . . . . . 7224 1 571 . 1 1 49 49 TRP HB2 H 1 3.56 0.01 . 1 . . . . . . . . 7224 1 572 . 1 1 49 49 TRP HB3 H 1 3.56 0.01 . 1 . . . . . . . . 7224 1 573 . 1 1 49 49 TRP CD1 C 13 124.5 0.5 . 1 . . . . . . . . 7224 1 574 . 1 1 49 49 TRP CE3 C 13 121.0 0.5 . 1 . . . . . . . . 7224 1 575 . 1 1 49 49 TRP NE1 N 15 127.1 0.5 . 1 . . . . . . . . 7224 1 576 . 1 1 49 49 TRP HD1 H 1 7.05 0.01 . 1 . . . . . . . . 7224 1 577 . 1 1 49 49 TRP HE3 H 1 7.43 0.01 . 1 . . . . . . . . 7224 1 578 . 1 1 49 49 TRP CZ3 C 13 119.9 0.5 . 1 . . . . . . . . 7224 1 579 . 1 1 49 49 TRP CZ2 C 13 113.6 0.5 . 1 . . . . . . . . 7224 1 580 . 1 1 49 49 TRP HE1 H 1 10.19 0.01 . 1 . . . . . . . . 7224 1 581 . 1 1 49 49 TRP HZ3 H 1 6.87 0.01 . 1 . . . . . . . . 7224 1 582 . 1 1 49 49 TRP CH2 C 13 124.3 0.5 . 1 . . . . . . . . 7224 1 583 . 1 1 49 49 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 7224 1 584 . 1 1 49 49 TRP HH2 H 1 7.50 0.01 . 1 . . . . . . . . 7224 1 585 . 1 1 50 50 TRP N N 15 117.7 0.5 . 1 . . . . . . . . 7224 1 586 . 1 1 50 50 TRP H H 1 8.60 0.01 . 1 . . . . . . . . 7224 1 587 . 1 1 50 50 TRP CA C 13 60.4 0.5 . 1 . . . . . . . . 7224 1 588 . 1 1 50 50 TRP HA H 1 4.29 0.01 . 1 . . . . . . . . 7224 1 589 . 1 1 50 50 TRP CB C 13 29.8 0.5 . 1 . . . . . . . . 7224 1 590 . 1 1 50 50 TRP HB2 H 1 3.29 0.01 . 2 . . . . . . . . 7224 1 591 . 1 1 50 50 TRP HB3 H 1 3.53 0.01 . 2 . . . . . . . . 7224 1 592 . 1 1 50 50 TRP CD1 C 13 127.4 0.5 . 1 . . . . . . . . 7224 1 593 . 1 1 50 50 TRP CE3 C 13 119.2 0.5 . 1 . . . . . . . . 7224 1 594 . 1 1 50 50 TRP NE1 N 15 130.5 0.5 . 1 . . . . . . . . 7224 1 595 . 1 1 50 50 TRP HD1 H 1 7.37 0.01 . 1 . . . . . . . . 7224 1 596 . 1 1 50 50 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 7224 1 597 . 1 1 50 50 TRP CZ3 C 13 122.6 0.5 . 1 . . . . . . . . 7224 1 598 . 1 1 50 50 TRP CZ2 C 13 114.9 0.5 . 1 . . . . . . . . 7224 1 599 . 1 1 50 50 TRP HE1 H 1 10.55 0.01 . 1 . . . . . . . . 7224 1 600 . 1 1 50 50 TRP HZ3 H 1 7.40 0.01 . 1 . . . . . . . . 7224 1 601 . 1 1 50 50 TRP CH2 C 13 125.0 0.5 . 1 . . . . . . . . 7224 1 602 . 1 1 50 50 TRP HZ2 H 1 7.55 0.01 . 1 . . . . . . . . 7224 1 603 . 1 1 50 50 TRP HH2 H 1 7.36 0.01 . 1 . . . . . . . . 7224 1 604 . 1 1 51 51 GLU N N 15 117.7 0.5 . 1 . . . . . . . . 7224 1 605 . 1 1 51 51 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 7224 1 606 . 1 1 51 51 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1 607 . 1 1 51 51 GLU HA H 1 3.74 0.01 . 1 . . . . . . . . 7224 1 608 . 1 1 51 51 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 609 . 1 1 51 51 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 7224 1 610 . 1 1 51 51 GLU HB3 H 1 2.14 0.01 . 2 . . . . . . . . 7224 1 611 . 1 1 51 51 GLU CG C 13 36.3 0.5 . 1 . . . . . . . . 7224 1 612 . 1 1 51 51 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 7224 1 613 . 1 1 51 51 GLU HG3 H 1 2.50 0.01 . 2 . . . . . . . . 7224 1 614 . 1 1 52 52 GLU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1 615 . 1 1 52 52 GLU H H 1 8.33 0.01 . 1 . . . . . . . . 7224 1 616 . 1 1 52 52 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1 617 . 1 1 52 52 GLU HA H 1 3.80 0.01 . 1 . . . . . . . . 7224 1 618 . 1 1 52 52 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 619 . 1 1 52 52 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 7224 1 620 . 1 1 52 52 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 7224 1 621 . 1 1 52 52 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . 7224 1 622 . 1 1 52 52 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 7224 1 623 . 1 1 52 52 GLU HG3 H 1 2.58 0.01 . 2 . . . . . . . . 7224 1 624 . 1 1 53 53 LEU N N 15 121.3 0.5 . 1 . . . . . . . . 7224 1 625 . 1 1 53 53 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 7224 1 626 . 1 1 53 53 LEU CA C 13 57.3 0.5 . 1 . . . . . . . . 7224 1 627 . 1 1 53 53 LEU HA H 1 3.42 0.01 . 1 . . . . . . . . 7224 1 628 . 1 1 53 53 LEU CB C 13 40.8 0.5 . 1 . . . . . . . . 7224 1 629 . 1 1 53 53 LEU HB2 H 1 1.00 0.01 . 2 . . . . . . . . 7224 1 630 . 1 1 53 53 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . 7224 1 631 . 1 1 53 53 LEU CG C 13 26.4 0.5 . 1 . . . . . . . . 7224 1 632 . 1 1 53 53 LEU HG H 1 1.22 0.01 . 1 . . . . . . . . 7224 1 633 . 1 1 53 53 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1 634 . 1 1 53 53 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1 635 . 1 1 53 53 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1 636 . 1 1 53 53 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1 637 . 1 1 53 53 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1 638 . 1 1 53 53 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1 639 . 1 1 53 53 LEU CD1 C 13 23.4 0.5 . 1 . . . . . . . . 7224 1 640 . 1 1 53 53 LEU CD2 C 13 26.7 0.5 . 1 . . . . . . . . 7224 1 641 . 1 1 54 54 GLN N N 15 114.4 0.5 . 1 . . . . . . . . 7224 1 642 . 1 1 54 54 GLN H H 1 7.31 0.01 . 1 . . . . . . . . 7224 1 643 . 1 1 54 54 GLN CA C 13 56.3 0.5 . 1 . . . . . . . . 7224 1 644 . 1 1 54 54 GLN HA H 1 3.65 0.01 . 1 . . . . . . . . 7224 1 645 . 1 1 54 54 GLN CB C 13 28.5 0.5 . 1 . . . . . . . . 7224 1 646 . 1 1 54 54 GLN HB2 H 1 1.71 0.01 . 2 . . . . . . . . 7224 1 647 . 1 1 54 54 GLN HB3 H 1 1.88 0.01 . 2 . . . . . . . . 7224 1 648 . 1 1 54 54 GLN CG C 13 32.9 0.5 . 1 . . . . . . . . 7224 1 649 . 1 1 54 54 GLN HG2 H 1 1.56 0.01 . 1 . . . . . . . . 7224 1 650 . 1 1 54 54 GLN HG3 H 1 1.56 0.01 . 1 . . . . . . . . 7224 1 651 . 1 1 54 54 GLN NE2 N 15 112.4 0.5 . 1 . . . . . . . . 7224 1 652 . 1 1 54 54 GLN HE21 H 1 5.34 0.01 . 2 . . . . . . . . 7224 1 653 . 1 1 54 54 GLN HE22 H 1 6.19 0.01 . 2 . . . . . . . . 7224 1 654 . 1 1 55 55 LYS N N 15 117.3 0.5 . 1 . . . . . . . . 7224 1 655 . 1 1 55 55 LYS H H 1 7.36 0.01 . 1 . . . . . . . . 7224 1 656 . 1 1 55 55 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 7224 1 657 . 1 1 55 55 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 7224 1 658 . 1 1 55 55 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . 7224 1 659 . 1 1 55 55 LYS HB2 H 1 1.79 0.01 . 2 . . . . . . . . 7224 1 660 . 1 1 55 55 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 7224 1 661 . 1 1 55 55 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 7224 1 662 . 1 1 55 55 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1 663 . 1 1 55 55 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . 7224 1 664 . 1 1 55 55 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1 665 . 1 1 55 55 LYS HD2 H 1 1.66 0.01 . 2 . . . . . . . . 7224 1 666 . 1 1 55 55 LYS HD3 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1 667 . 1 1 55 55 LYS CE C 13 41.9 0.5 . 1 . . . . . . . . 7224 1 668 . 1 1 55 55 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 7224 1 669 . 1 1 55 55 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 7224 1 670 . 1 1 56 56 ASN N N 15 118.2 0.5 . 1 . . . . . . . . 7224 1 671 . 1 1 56 56 ASN H H 1 7.72 0.01 . 1 . . . . . . . . 7224 1 672 . 1 1 56 56 ASN CA C 13 51.5 0.5 . 1 . . . . . . . . 7224 1 673 . 1 1 56 56 ASN HA H 1 4.99 0.01 . 1 . . . . . . . . 7224 1 674 . 1 1 56 56 ASN CB C 13 39.2 0.5 . 1 . . . . . . . . 7224 1 675 . 1 1 56 56 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 7224 1 676 . 1 1 56 56 ASN HB3 H 1 2.74 0.01 . 2 . . . . . . . . 7224 1 677 . 1 1 56 56 ASN ND2 N 15 113.7 0.5 . 1 . . . . . . . . 7224 1 678 . 1 1 56 56 ASN HD21 H 1 7.67 0.01 . 2 . . . . . . . . 7224 1 679 . 1 1 56 56 ASN HD22 H 1 6.94 0.01 . 2 . . . . . . . . 7224 1 680 . 1 1 57 57 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1 681 . 1 1 57 57 PRO CA C 13 61.5 0.5 . 1 . . . . . . . . 7224 1 682 . 1 1 57 57 PRO HA H 1 4.65 0.01 . 1 . . . . . . . . 7224 1 683 . 1 1 57 57 PRO CB C 13 30.8 0.5 . 1 . . . . . . . . 7224 1 684 . 1 1 57 57 PRO HB2 H 1 1.84 0.01 . 2 . . . . . . . . 7224 1 685 . 1 1 57 57 PRO HB3 H 1 2.27 0.01 . 2 . . . . . . . . 7224 1 686 . 1 1 57 57 PRO CG C 13 27.2 0.5 . 1 . . . . . . . . 7224 1 687 . 1 1 57 57 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 7224 1 688 . 1 1 57 57 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . 7224 1 689 . 1 1 57 57 PRO HD2 H 1 3.60 0.01 . 1 . . . . . . . . 7224 1 690 . 1 1 57 57 PRO HD3 H 1 3.60 0.01 . 1 . . . . . . . . 7224 1 691 . 1 1 58 58 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1 692 . 1 1 58 58 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1 693 . 1 1 58 58 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 7224 1 694 . 1 1 58 58 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1 695 . 1 1 58 58 PRO HB2 H 1 1.89 0.01 . 2 . . . . . . . . 7224 1 696 . 1 1 58 58 PRO HB3 H 1 2.28 0.01 . 2 . . . . . . . . 7224 1 697 . 1 1 58 58 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1 698 . 1 1 58 58 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1 699 . 1 1 58 58 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1 700 . 1 1 58 58 PRO HD2 H 1 3.62 0.01 . 2 . . . . . . . . 7224 1 701 . 1 1 58 58 PRO HD3 H 1 3.77 0.01 . 2 . . . . . . . . 7224 1 702 . 1 1 59 59 TYR N N 15 120.9 0.5 . 1 . . . . . . . . 7224 1 703 . 1 1 59 59 TYR H H 1 8.20 0.01 . 1 . . . . . . . . 7224 1 704 . 1 1 59 59 TYR CA C 13 57.6 0.5 . 1 . . . . . . . . 7224 1 705 . 1 1 59 59 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 7224 1 706 . 1 1 59 59 TYR CB C 13 39.0 0.5 . 1 . . . . . . . . 7224 1 707 . 1 1 59 59 TYR HB2 H 1 2.88 0.01 . 2 . . . . . . . . 7224 1 708 . 1 1 59 59 TYR HB3 H 1 3.07 0.01 . 2 . . . . . . . . 7224 1 709 . 1 1 59 59 TYR HD1 H 1 7.08 0.01 . 1 . . . . . . . . 7224 1 710 . 1 1 59 59 TYR HD2 H 1 7.08 0.01 . 1 . . . . . . . . 7224 1 711 . 1 1 59 59 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 7224 1 712 . 1 1 59 59 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 7224 1 713 . 1 1 59 59 TYR CD1 C 13 132.5 0.5 . 1 . . . . . . . . 7224 1 714 . 1 1 59 59 TYR CE1 C 13 117.5 0.5 . 1 . . . . . . . . 7224 1 715 . 1 1 60 60 GLU N N 15 126.2 0.5 . 1 . . . . . . . . 7224 1 716 . 1 1 60 60 GLU H H 1 7.99 0.01 . 1 . . . . . . . . 7224 1 717 . 1 1 60 60 GLU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1 718 . 1 1 60 60 GLU HA H 1 4.55 0.01 . 1 . . . . . . . . 7224 1 719 . 1 1 60 60 GLU CB C 13 30.6 0.5 . 1 . . . . . . . . 7224 1 720 . 1 1 60 60 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 7224 1 721 . 1 1 60 60 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 7224 1 722 . 1 1 60 60 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 7224 1 723 . 1 1 60 60 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 7224 1 724 . 1 1 60 60 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 7224 1 stop_ save_