data_19231 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19231 _Entry.Title ; Structural Basis of DNA Recognition by the Effector Domain of Klebsiella pneumoniae PmrA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-07 _Entry.Accession_date 2013-05-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Iren Wang . . . 19231 2 Yuan-Chao Lou . . . 19231 3 Chinpan Chen . . . 19231 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19231 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DNA-binding . 19231 'effector domain' . 19231 NMR . 19231 PmrA . 19231 'two-component signaling system' . 19231 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19231 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 19231 '15N chemical shifts' 110 19231 '1H chemical shifts' 737 19231 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 . . 2014-05-05 2013-05-07 update BMRB 'update entry citation' 19231 1 . . 2014-01-21 2013-05-07 original author 'original release' 19231 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19231 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24371275 _Citation.Full_citation . _Citation.Title 'Solution structure and tandem DNA recognition of the C-terminal effector domain of PmrA from Klebsiella pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 42 _Citation.Journal_issue 6 _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 4080 _Citation.Page_last 4093 _Citation.Year 2014 _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 Yuan-Chao Lou . . . 19231 1 2 Iren Wang . . . 19231 1 3 M. Rajasekaran . . . 19231 1 4 Yi-Fen Kao . . . 19231 1 5 Meng-Ru Ho . . . 19231 1 6 'Shang-Te Danny' Hsu . . . 19231 1 7 Shan-Ho Chou . . . 19231 1 8 Shih-Hsiung Wu . . . 19231 1 9 Chinpan Chen . . . 19231 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19231 _Assembly.ID 1 _Assembly.Name PmrA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PmrA 1 $PmrA A . yes native no no . . . 19231 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PmrA _Entity.Sf_category entity _Entity.Sf_framecode PmrA _Entity.Entry_ID 19231 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NQGDNEISVGNLRLNVTRRL VWLGETALDLTPKEYALLSR LMMKAGSPVHREILYNDIYS WDNEPATNTLEVHIHNLREK IGKSRIRTVRGFGYMLANNI DTE ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11854.557 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 26532 . PmrA . . . . . 100.00 231 98.06 98.06 2.72e-64 . . . . 19231 1 2 no BMRB 26535 . PmrA . . . . . 100.00 231 98.06 98.06 2.72e-64 . . . . 19231 1 3 no PDB 2M87 . "Structural Basis Of Dna Recognition By The Effector Domain Of Klebsiella Pneumoniae Pmra" . . . . . 100.00 103 100.00 100.00 9.18e-68 . . . . 19231 1 4 no PDB 4S04 . "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" . . . . . 100.00 232 98.06 98.06 2.95e-64 . . . . 19231 1 5 no PDB 4S05 . "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" . . . . . 100.00 232 98.06 98.06 2.95e-64 . . . . 19231 1 6 no DBJ BAH62495 . "OmpR family response regulator in two-component regulatory system with BasS [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 7 no EMBL CCI78009 . "basR [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 100.00 223 100.00 100.00 3.12e-67 . . . . 19231 1 8 no EMBL CCM81779 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 9 no EMBL CCM90377 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 10 no EMBL CCM95353 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 11 no EMBL CCN28862 . "transcriptional regulatory protein BasR [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 12 no GB ABR76243 . "response regulator in two-component regulatory system with BasS (OmpR family) [Klebsiella pneumoniae subsp. pneumoniae MGH 7857" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 13 no GB ACI11257 . "transcriptional regulatory protein BasR [Klebsiella pneumoniae 342]" . . . . . 100.00 223 97.09 100.00 2.96e-65 . . . . 19231 1 14 no GB ADC59454 . "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" . . . . . 100.00 223 97.09 100.00 2.96e-65 . . . . 19231 1 15 no GB AEJ97287 . "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae KCTC 2242]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 16 no GB AEW60332 . "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 17 no REF WP_002895659 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 100.00 100.00 2.92e-67 . . . . 19231 1 18 no REF WP_004142095 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 100.00 223 100.00 100.00 3.12e-67 . . . . 19231 1 19 no REF WP_008805743 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 97.09 100.00 2.96e-65 . . . . 19231 1 20 no REF WP_016947497 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 100.00 223 100.00 100.00 3.05e-67 . . . . 19231 1 21 no REF WP_023279685 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 100.00 100.00 3.33e-67 . . . . 19231 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 1 ASN . 19231 1 2 2 GLN . 19231 1 3 3 GLY . 19231 1 4 4 ASP . 19231 1 5 5 ASN . 19231 1 6 6 GLU . 19231 1 7 7 ILE . 19231 1 8 8 SER . 19231 1 9 9 VAL . 19231 1 10 10 GLY . 19231 1 11 11 ASN . 19231 1 12 12 LEU . 19231 1 13 13 ARG . 19231 1 14 14 LEU . 19231 1 15 15 ASN . 19231 1 16 16 VAL . 19231 1 17 17 THR . 19231 1 18 18 ARG . 19231 1 19 19 ARG . 19231 1 20 20 LEU . 19231 1 21 21 VAL . 19231 1 22 22 TRP . 19231 1 23 23 LEU . 19231 1 24 24 GLY . 19231 1 25 25 GLU . 19231 1 26 26 THR . 19231 1 27 27 ALA . 19231 1 28 28 LEU . 19231 1 29 29 ASP . 19231 1 30 30 LEU . 19231 1 31 31 THR . 19231 1 32 32 PRO . 19231 1 33 33 LYS . 19231 1 34 34 GLU . 19231 1 35 35 TYR . 19231 1 36 36 ALA . 19231 1 37 37 LEU . 19231 1 38 38 LEU . 19231 1 39 39 SER . 19231 1 40 40 ARG . 19231 1 41 41 LEU . 19231 1 42 42 MET . 19231 1 43 43 MET . 19231 1 44 44 LYS . 19231 1 45 45 ALA . 19231 1 46 46 GLY . 19231 1 47 47 SER . 19231 1 48 48 PRO . 19231 1 49 49 VAL . 19231 1 50 50 HIS . 19231 1 51 51 ARG . 19231 1 52 52 GLU . 19231 1 53 53 ILE . 19231 1 54 54 LEU . 19231 1 55 55 TYR . 19231 1 56 56 ASN . 19231 1 57 57 ASP . 19231 1 58 58 ILE . 19231 1 59 59 TYR . 19231 1 60 60 SER . 19231 1 61 61 TRP . 19231 1 62 62 ASP . 19231 1 63 63 ASN . 19231 1 64 64 GLU . 19231 1 65 65 PRO . 19231 1 66 66 ALA . 19231 1 67 67 THR . 19231 1 68 68 ASN . 19231 1 69 69 THR . 19231 1 70 70 LEU . 19231 1 71 71 GLU . 19231 1 72 72 VAL . 19231 1 73 73 HIS . 19231 1 74 74 ILE . 19231 1 75 75 HIS . 19231 1 76 76 ASN . 19231 1 77 77 LEU . 19231 1 78 78 ARG . 19231 1 79 79 GLU . 19231 1 80 80 LYS . 19231 1 81 81 ILE . 19231 1 82 82 GLY . 19231 1 83 83 LYS . 19231 1 84 84 SER . 19231 1 85 85 ARG . 19231 1 86 86 ILE . 19231 1 87 87 ARG . 19231 1 88 88 THR . 19231 1 89 89 VAL . 19231 1 90 90 ARG . 19231 1 91 91 GLY . 19231 1 92 92 PHE . 19231 1 93 93 GLY . 19231 1 94 94 TYR . 19231 1 95 95 MET . 19231 1 96 96 LEU . 19231 1 97 97 ALA . 19231 1 98 98 ASN . 19231 1 99 99 ASN . 19231 1 100 100 ILE . 19231 1 101 101 ASP . 19231 1 102 102 THR . 19231 1 103 103 GLU . 19231 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 . ASN 1 1 19231 1 . GLN 2 2 19231 1 . GLY 3 3 19231 1 . ASP 4 4 19231 1 . ASN 5 5 19231 1 . GLU 6 6 19231 1 . ILE 7 7 19231 1 . SER 8 8 19231 1 . VAL 9 9 19231 1 . GLY 10 10 19231 1 . ASN 11 11 19231 1 . LEU 12 12 19231 1 . ARG 13 13 19231 1 . LEU 14 14 19231 1 . ASN 15 15 19231 1 . VAL 16 16 19231 1 . THR 17 17 19231 1 . ARG 18 18 19231 1 . ARG 19 19 19231 1 . LEU 20 20 19231 1 . VAL 21 21 19231 1 . TRP 22 22 19231 1 . LEU 23 23 19231 1 . GLY 24 24 19231 1 . GLU 25 25 19231 1 . THR 26 26 19231 1 . ALA 27 27 19231 1 . LEU 28 28 19231 1 . ASP 29 29 19231 1 . LEU 30 30 19231 1 . THR 31 31 19231 1 . PRO 32 32 19231 1 . LYS 33 33 19231 1 . GLU 34 34 19231 1 . TYR 35 35 19231 1 . ALA 36 36 19231 1 . LEU 37 37 19231 1 . LEU 38 38 19231 1 . SER 39 39 19231 1 . ARG 40 40 19231 1 . LEU 41 41 19231 1 . MET 42 42 19231 1 . MET 43 43 19231 1 . LYS 44 44 19231 1 . ALA 45 45 19231 1 . GLY 46 46 19231 1 . SER 47 47 19231 1 . PRO 48 48 19231 1 . VAL 49 49 19231 1 . HIS 50 50 19231 1 . ARG 51 51 19231 1 . GLU 52 52 19231 1 . ILE 53 53 19231 1 . LEU 54 54 19231 1 . TYR 55 55 19231 1 . ASN 56 56 19231 1 . ASP 57 57 19231 1 . ILE 58 58 19231 1 . TYR 59 59 19231 1 . SER 60 60 19231 1 . TRP 61 61 19231 1 . ASP 62 62 19231 1 . ASN 63 63 19231 1 . GLU 64 64 19231 1 . PRO 65 65 19231 1 . ALA 66 66 19231 1 . THR 67 67 19231 1 . ASN 68 68 19231 1 . THR 69 69 19231 1 . LEU 70 70 19231 1 . GLU 71 71 19231 1 . VAL 72 72 19231 1 . HIS 73 73 19231 1 . ILE 74 74 19231 1 . HIS 75 75 19231 1 . ASN 76 76 19231 1 . LEU 77 77 19231 1 . ARG 78 78 19231 1 . GLU 79 79 19231 1 . LYS 80 80 19231 1 . ILE 81 81 19231 1 . GLY 82 82 19231 1 . LYS 83 83 19231 1 . SER 84 84 19231 1 . ARG 85 85 19231 1 . ILE 86 86 19231 1 . ARG 87 87 19231 1 . THR 88 88 19231 1 . VAL 89 89 19231 1 . ARG 90 90 19231 1 . GLY 91 91 19231 1 . PHE 92 92 19231 1 . GLY 93 93 19231 1 . TYR 94 94 19231 1 . MET 95 95 19231 1 . LEU 96 96 19231 1 . ALA 97 97 19231 1 . ASN 98 98 19231 1 . ASN 99 99 19231 1 . ILE 100 100 19231 1 . ASP 101 101 19231 1 . THR 102 102 19231 1 . GLU 103 103 19231 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 19231 _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 $PmrA . 573 organism . 'Klebsiella pneumoniae' enterobacteria . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . . . . . . . . . 19231 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 19231 _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 $PmrA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET29(+) . . . . . . 19231 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19231 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PmrAc '[U-99% 13C; U-99% 15N]' . . 1 $PmrA . . 0.3 . . mM . . . . 19231 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19231 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19231 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19231 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PmrAc '[U-99% 13C; U-99% 15N]' . . 1 $PmrA . . 0.3 . . mM . . . . 19231 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19231 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19231 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 . M 19231 1 pH 6.0 . pH 19231 1 pressure ambient . atm 19231 1 temperature 298 . K 19231 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19231 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19231 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19231 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19231 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19231 2 'data analysis' 19231 2 'peak picking' 19231 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19231 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19231 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19231 3 'structure solution' 19231 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19231 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19231 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19231 4 processing 19231 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19231 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19231 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19231 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19231 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19231 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19231 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19231 1 2 spectrometer_2 Bruker Avance . 800 . . . 19231 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 19231 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19231 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19231 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19231 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19231 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19231 _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 carbon' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19231 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19231 1 N 15 DSS nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19231 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19231 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19231 1 2 '3D HNCACB' . . . 19231 1 3 '3D CBCA(CO)NH' . . . 19231 1 4 '3D HNCO' . . . 19231 1 6 '2D 1H-13C HSQC aliphatic' . . . 19231 1 7 '3D HCCH-TOCSY' . . . 19231 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 ASN HA H 1 4.7990 0.02 . 1 . . . A 1 ASN HA . 19231 1 2 . 1 1 1 1 ASN HB2 H 1 2.8430 0.02 . 2 . . . A 1 ASN HB2 . 19231 1 3 . 1 1 1 1 ASN HB3 H 1 2.8430 0.02 . 2 . . . A 1 ASN HB3 . 19231 1 4 . 1 1 1 1 ASN HD21 H 1 7.0140 0.02 . 2 . . . A 1 ASN HD21 . 19231 1 5 . 1 1 1 1 ASN HD22 H 1 7.7330 0.02 . 2 . . . A 1 ASN HD22 . 19231 1 6 . 1 1 1 1 ASN C C 13 174.8540 0.2 . 1 . . . A 1 ASN C . 19231 1 7 . 1 1 1 1 ASN CA C 13 53.2510 0.2 . 1 . . . A 1 ASN CA . 19231 1 8 . 1 1 1 1 ASN CB C 13 38.9570 0.2 . 1 . . . A 1 ASN CB . 19231 1 9 . 1 1 1 1 ASN ND2 N 15 113.5820 0.2 . 1 . . . A 1 ASN ND2 . 19231 1 10 . 1 1 2 2 GLN H H 1 8.7050 0.02 . 1 . . . A 2 GLN H . 19231 1 11 . 1 1 2 2 GLN HA H 1 4.3370 0.02 . 1 . . . A 2 GLN HA . 19231 1 12 . 1 1 2 2 GLN HB2 H 1 2.1600 0.02 . 2 . . . A 2 GLN HB2 . 19231 1 13 . 1 1 2 2 GLN HB3 H 1 2.0400 0.02 . 2 . . . A 2 GLN HB3 . 19231 1 14 . 1 1 2 2 GLN HG2 H 1 2.4100 0.02 . 2 . . . A 2 GLN HG2 . 19231 1 15 . 1 1 2 2 GLN HG3 H 1 2.4100 0.02 . 2 . . . A 2 GLN HG3 . 19231 1 16 . 1 1 2 2 GLN HE21 H 1 6.8890 0.02 . 2 . . . A 2 GLN HE21 . 19231 1 17 . 1 1 2 2 GLN HE22 H 1 7.5830 0.02 . 2 . . . A 2 GLN HE22 . 19231 1 18 . 1 1 2 2 GLN C C 13 176.3200 0.2 . 1 . . . A 2 GLN C . 19231 1 19 . 1 1 2 2 GLN CA C 13 56.2950 0.2 . 1 . . . A 2 GLN CA . 19231 1 20 . 1 1 2 2 GLN CB C 13 29.2700 0.2 . 1 . . . A 2 GLN CB . 19231 1 21 . 1 1 2 2 GLN CG C 13 33.7420 0.2 . 1 . . . A 2 GLN CG . 19231 1 22 . 1 1 2 2 GLN N N 15 121.9900 0.2 . 1 . . . A 2 GLN N . 19231 1 23 . 1 1 2 2 GLN NE2 N 15 112.3720 0.2 . 1 . . . A 2 GLN NE2 . 19231 1 24 . 1 1 3 3 GLY H H 1 8.5400 0.02 . 1 . . . A 3 GLY H . 19231 1 25 . 1 1 3 3 GLY HA2 H 1 4.0000 0.02 . 2 . . . A 3 GLY HA2 . 19231 1 26 . 1 1 3 3 GLY HA3 H 1 4.0000 0.02 . 2 . . . A 3 GLY HA3 . 19231 1 27 . 1 1 3 3 GLY C C 13 174.1160 0.2 . 1 . . . A 3 GLY C . 19231 1 28 . 1 1 3 3 GLY CA C 13 45.1150 0.2 . 1 . . . A 3 GLY CA . 19231 1 29 . 1 1 3 3 GLY N N 15 110.4810 0.2 . 1 . . . A 3 GLY N . 19231 1 30 . 1 1 4 4 ASP H H 1 8.2510 0.02 . 1 . . . A 4 ASP H . 19231 1 31 . 1 1 4 4 ASP HA H 1 4.6410 0.02 . 1 . . . A 4 ASP HA . 19231 1 32 . 1 1 4 4 ASP HB2 H 1 2.7500 0.02 . 2 . . . A 4 ASP HB2 . 19231 1 33 . 1 1 4 4 ASP HB3 H 1 2.6700 0.02 . 2 . . . A 4 ASP HB3 . 19231 1 34 . 1 1 4 4 ASP C C 13 175.9740 0.2 . 1 . . . A 4 ASP C . 19231 1 35 . 1 1 4 4 ASP CA C 13 54.4560 0.2 . 1 . . . A 4 ASP CA . 19231 1 36 . 1 1 4 4 ASP CB C 13 41.1900 0.2 . 1 . . . A 4 ASP CB . 19231 1 37 . 1 1 4 4 ASP N N 15 120.7500 0.2 . 1 . . . A 4 ASP N . 19231 1 38 . 1 1 5 5 ASN H H 1 8.5130 0.02 . 1 . . . A 5 ASN H . 19231 1 39 . 1 1 5 5 ASN HA H 1 4.7610 0.02 . 1 . . . A 5 ASN HA . 19231 1 40 . 1 1 5 5 ASN HB2 H 1 2.9000 0.02 . 2 . . . A 5 ASN HB2 . 19231 1 41 . 1 1 5 5 ASN HB3 H 1 2.9000 0.02 . 2 . . . A 5 ASN HB3 . 19231 1 42 . 1 1 5 5 ASN HD21 H 1 6.8950 0.02 . 2 . . . A 5 ASN HD21 . 19231 1 43 . 1 1 5 5 ASN HD22 H 1 7.6000 0.02 . 2 . . . A 5 ASN HD22 . 19231 1 44 . 1 1 5 5 ASN C C 13 174.0170 0.2 . 1 . . . A 5 ASN C . 19231 1 45 . 1 1 5 5 ASN CA C 13 53.3540 0.2 . 1 . . . A 5 ASN CA . 19231 1 46 . 1 1 5 5 ASN CB C 13 38.9360 0.2 . 1 . . . A 5 ASN CB . 19231 1 47 . 1 1 5 5 ASN N N 15 118.4210 0.2 . 1 . . . A 5 ASN N . 19231 1 48 . 1 1 5 5 ASN ND2 N 15 111.8900 0.2 . 1 . . . A 5 ASN ND2 . 19231 1 49 . 1 1 6 6 GLU H H 1 8.1160 0.02 . 1 . . . A 6 GLU H . 19231 1 50 . 1 1 6 6 GLU HA H 1 5.4720 0.02 . 1 . . . A 6 GLU HA . 19231 1 51 . 1 1 6 6 GLU HB2 H 1 1.9260 0.02 . 2 . . . A 6 GLU HB2 . 19231 1 52 . 1 1 6 6 GLU HB3 H 1 1.9260 0.02 . 2 . . . A 6 GLU HB3 . 19231 1 53 . 1 1 6 6 GLU HG2 H 1 2.2600 0.02 . 2 . . . A 6 GLU HG2 . 19231 1 54 . 1 1 6 6 GLU HG3 H 1 2.1200 0.02 . 2 . . . A 6 GLU HG3 . 19231 1 55 . 1 1 6 6 GLU C C 13 175.8080 0.2 . 1 . . . A 6 GLU C . 19231 1 56 . 1 1 6 6 GLU CA C 13 55.0950 0.2 . 1 . . . A 6 GLU CA . 19231 1 57 . 1 1 6 6 GLU CB C 13 33.0130 0.2 . 1 . . . A 6 GLU CB . 19231 1 58 . 1 1 6 6 GLU CG C 13 37.2740 0.2 . 1 . . . A 6 GLU CG . 19231 1 59 . 1 1 6 6 GLU N N 15 120.9050 0.2 . 1 . . . A 6 GLU N . 19231 1 60 . 1 1 7 7 ILE H H 1 8.9660 0.02 . 1 . . . A 7 ILE H . 19231 1 61 . 1 1 7 7 ILE HA H 1 4.5340 0.02 . 1 . . . A 7 ILE HA . 19231 1 62 . 1 1 7 7 ILE HB H 1 1.8010 0.02 . 1 . . . A 7 ILE HB . 19231 1 63 . 1 1 7 7 ILE HG12 H 1 1.5600 0.02 . 2 . . . A 7 ILE HG12 . 19231 1 64 . 1 1 7 7 ILE HG13 H 1 1.2000 0.02 . 2 . . . A 7 ILE HG13 . 19231 1 65 . 1 1 7 7 ILE HG21 H 1 0.9200 0.02 . 1 . . . A 7 ILE HG21 . 19231 1 66 . 1 1 7 7 ILE HG22 H 1 0.9200 0.02 . 1 . . . A 7 ILE HG22 . 19231 1 67 . 1 1 7 7 ILE HG23 H 1 0.9200 0.02 . 1 . . . A 7 ILE HG23 . 19231 1 68 . 1 1 7 7 ILE HD11 H 1 0.8900 0.02 . 1 . . . A 7 ILE HD11 . 19231 1 69 . 1 1 7 7 ILE HD12 H 1 0.8900 0.02 . 1 . . . A 7 ILE HD12 . 19231 1 70 . 1 1 7 7 ILE HD13 H 1 0.8900 0.02 . 1 . . . A 7 ILE HD13 . 19231 1 71 . 1 1 7 7 ILE C C 13 174.6530 0.2 . 1 . . . A 7 ILE C . 19231 1 72 . 1 1 7 7 ILE CA C 13 60.1130 0.2 . 1 . . . A 7 ILE CA . 19231 1 73 . 1 1 7 7 ILE CB C 13 41.3420 0.2 . 1 . . . A 7 ILE CB . 19231 1 74 . 1 1 7 7 ILE CG1 C 13 27.2080 0.2 . 1 . . . A 7 ILE CG1 . 19231 1 75 . 1 1 7 7 ILE CG2 C 13 17.6850 0.2 . 1 . . . A 7 ILE CG2 . 19231 1 76 . 1 1 7 7 ILE CD1 C 13 14.1540 0.2 . 1 . . . A 7 ILE CD1 . 19231 1 77 . 1 1 7 7 ILE N N 15 122.5670 0.2 . 1 . . . A 7 ILE N . 19231 1 78 . 1 1 8 8 SER H H 1 8.7730 0.02 . 1 . . . A 8 SER H . 19231 1 79 . 1 1 8 8 SER HA H 1 5.5360 0.02 . 1 . . . A 8 SER HA . 19231 1 80 . 1 1 8 8 SER HB2 H 1 3.7770 0.02 . 2 . . . A 8 SER HB2 . 19231 1 81 . 1 1 8 8 SER HB3 H 1 3.7770 0.02 . 2 . . . A 8 SER HB3 . 19231 1 82 . 1 1 8 8 SER C C 13 174.0820 0.2 . 1 . . . A 8 SER C . 19231 1 83 . 1 1 8 8 SER CA C 13 57.0500 0.2 . 1 . . . A 8 SER CA . 19231 1 84 . 1 1 8 8 SER CB C 13 65.4700 0.2 . 1 . . . A 8 SER CB . 19231 1 85 . 1 1 8 8 SER N N 15 120.4460 0.2 . 1 . . . A 8 SER N . 19231 1 86 . 1 1 9 9 VAL H H 1 8.8740 0.02 . 1 . . . A 9 VAL H . 19231 1 87 . 1 1 9 9 VAL HA H 1 4.1900 0.02 . 1 . . . A 9 VAL HA . 19231 1 88 . 1 1 9 9 VAL HB H 1 1.9920 0.02 . 1 . . . A 9 VAL HB . 19231 1 89 . 1 1 9 9 VAL HG11 H 1 0.9400 0.02 . 2 . . . A 9 VAL HG11 . 19231 1 90 . 1 1 9 9 VAL HG12 H 1 0.9400 0.02 . 2 . . . A 9 VAL HG12 . 19231 1 91 . 1 1 9 9 VAL HG13 H 1 0.9400 0.02 . 2 . . . A 9 VAL HG13 . 19231 1 92 . 1 1 9 9 VAL HG21 H 1 0.9000 0.02 . 2 . . . A 9 VAL HG21 . 19231 1 93 . 1 1 9 9 VAL HG22 H 1 0.9000 0.02 . 2 . . . A 9 VAL HG22 . 19231 1 94 . 1 1 9 9 VAL HG23 H 1 0.9000 0.02 . 2 . . . A 9 VAL HG23 . 19231 1 95 . 1 1 9 9 VAL C C 13 176.1410 0.2 . 1 . . . A 9 VAL C . 19231 1 96 . 1 1 9 9 VAL CA C 13 61.2980 0.2 . 1 . . . A 9 VAL CA . 19231 1 97 . 1 1 9 9 VAL CB C 13 33.7630 0.2 . 1 . . . A 9 VAL CB . 19231 1 98 . 1 1 9 9 VAL CG1 C 13 21.2010 0.2 . 2 . . . A 9 VAL CG1 . 19231 1 99 . 1 1 9 9 VAL CG2 C 13 21.2010 0.2 . 2 . . . A 9 VAL CG2 . 19231 1 100 . 1 1 9 9 VAL N N 15 124.8960 0.2 . 1 . . . A 9 VAL N . 19231 1 101 . 1 1 10 10 GLY H H 1 9.1140 0.02 . 1 . . . A 10 GLY H . 19231 1 102 . 1 1 10 10 GLY HA2 H 1 4.0300 0.02 . 2 . . . A 10 GLY HA2 . 19231 1 103 . 1 1 10 10 GLY HA3 H 1 3.7400 0.02 . 2 . . . A 10 GLY HA3 . 19231 1 104 . 1 1 10 10 GLY C C 13 174.7850 0.2 . 1 . . . A 10 GLY C . 19231 1 105 . 1 1 10 10 GLY CA C 13 47.3300 0.2 . 1 . . . A 10 GLY CA . 19231 1 106 . 1 1 10 10 GLY N N 15 117.9920 0.2 . 1 . . . A 10 GLY N . 19231 1 107 . 1 1 11 11 ASN H H 1 8.6090 0.02 . 1 . . . A 11 ASN H . 19231 1 108 . 1 1 11 11 ASN HA H 1 4.6880 0.02 . 1 . . . A 11 ASN HA . 19231 1 109 . 1 1 11 11 ASN HB2 H 1 3.0940 0.02 . 2 . . . A 11 ASN HB2 . 19231 1 110 . 1 1 11 11 ASN HB3 H 1 2.8560 0.02 . 2 . . . A 11 ASN HB3 . 19231 1 111 . 1 1 11 11 ASN HD21 H 1 6.9980 0.02 . 2 . . . A 11 ASN HD21 . 19231 1 112 . 1 1 11 11 ASN HD22 H 1 7.6370 0.02 . 2 . . . A 11 ASN HD22 . 19231 1 113 . 1 1 11 11 ASN C C 13 174.7650 0.2 . 1 . . . A 11 ASN C . 19231 1 114 . 1 1 11 11 ASN CA C 13 52.8780 0.2 . 1 . . . A 11 ASN CA . 19231 1 115 . 1 1 11 11 ASN CB C 13 37.2770 0.2 . 1 . . . A 11 ASN CB . 19231 1 116 . 1 1 11 11 ASN N N 15 124.9080 0.2 . 1 . . . A 11 ASN N . 19231 1 117 . 1 1 11 11 ASN ND2 N 15 109.9940 0.2 . 1 . . . A 11 ASN ND2 . 19231 1 118 . 1 1 12 12 LEU H H 1 8.2560 0.02 . 1 . . . A 12 LEU H . 19231 1 119 . 1 1 12 12 LEU HA H 1 5.4150 0.02 . 1 . . . A 12 LEU HA . 19231 1 120 . 1 1 12 12 LEU HB2 H 1 1.9780 0.02 . 2 . . . A 12 LEU HB2 . 19231 1 121 . 1 1 12 12 LEU HB3 H 1 1.6600 0.02 . 2 . . . A 12 LEU HB3 . 19231 1 122 . 1 1 12 12 LEU HG H 1 1.7200 0.02 . 1 . . . A 12 LEU HG . 19231 1 123 . 1 1 12 12 LEU HD11 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD11 . 19231 1 124 . 1 1 12 12 LEU HD12 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD12 . 19231 1 125 . 1 1 12 12 LEU HD13 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD13 . 19231 1 126 . 1 1 12 12 LEU HD21 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD21 . 19231 1 127 . 1 1 12 12 LEU HD22 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD22 . 19231 1 128 . 1 1 12 12 LEU HD23 H 1 0.9700 0.02 . 2 . . . A 12 LEU HD23 . 19231 1 129 . 1 1 12 12 LEU C C 13 175.6530 0.2 . 1 . . . A 12 LEU C . 19231 1 130 . 1 1 12 12 LEU CA C 13 53.9370 0.2 . 1 . . . A 12 LEU CA . 19231 1 131 . 1 1 12 12 LEU CB C 13 44.4380 0.2 . 1 . . . A 12 LEU CB . 19231 1 132 . 1 1 12 12 LEU CG C 13 25.8310 0.2 . 1 . . . A 12 LEU CG . 19231 1 133 . 1 1 12 12 LEU CD1 C 13 25.6700 0.2 . 2 . . . A 12 LEU CD1 . 19231 1 134 . 1 1 12 12 LEU CD2 C 13 25.6700 0.2 . 2 . . . A 12 LEU CD2 . 19231 1 135 . 1 1 12 12 LEU N N 15 123.5500 0.2 . 1 . . . A 12 LEU N . 19231 1 136 . 1 1 13 13 ARG H H 1 9.1690 0.02 . 1 . . . A 13 ARG H . 19231 1 137 . 1 1 13 13 ARG HA H 1 5.2270 0.02 . 1 . . . A 13 ARG HA . 19231 1 138 . 1 1 13 13 ARG HB2 H 1 1.9480 0.02 . 2 . . . A 13 ARG HB2 . 19231 1 139 . 1 1 13 13 ARG HB3 H 1 1.8300 0.02 . 2 . . . A 13 ARG HB3 . 19231 1 140 . 1 1 13 13 ARG HG2 H 1 1.5200 0.02 . 2 . . . A 13 ARG HG2 . 19231 1 141 . 1 1 13 13 ARG HG3 H 1 1.4400 0.02 . 2 . . . A 13 ARG HG3 . 19231 1 142 . 1 1 13 13 ARG HD2 H 1 3.0600 0.02 . 2 . . . A 13 ARG HD2 . 19231 1 143 . 1 1 13 13 ARG HD3 H 1 2.9500 0.02 . 2 . . . A 13 ARG HD3 . 19231 1 144 . 1 1 13 13 ARG C C 13 173.3940 0.2 . 1 . . . A 13 ARG C . 19231 1 145 . 1 1 13 13 ARG CA C 13 55.0170 0.2 . 1 . . . A 13 ARG CA . 19231 1 146 . 1 1 13 13 ARG CB C 13 34.5070 0.2 . 1 . . . A 13 ARG CB . 19231 1 147 . 1 1 13 13 ARG CG C 13 27.4620 0.2 . 1 . . . A 13 ARG CG . 19231 1 148 . 1 1 13 13 ARG CD C 13 43.1510 0.2 . 1 . . . A 13 ARG CD . 19231 1 149 . 1 1 13 13 ARG N N 15 124.7190 0.2 . 1 . . . A 13 ARG N . 19231 1 150 . 1 1 14 14 LEU H H 1 9.3940 0.02 . 1 . . . A 14 LEU H . 19231 1 151 . 1 1 14 14 LEU HA H 1 5.3160 0.02 . 1 . . . A 14 LEU HA . 19231 1 152 . 1 1 14 14 LEU HB2 H 1 1.8810 0.02 . 2 . . . A 14 LEU HB2 . 19231 1 153 . 1 1 14 14 LEU HB3 H 1 1.6400 0.02 . 2 . . . A 14 LEU HB3 . 19231 1 154 . 1 1 14 14 LEU HG H 1 1.5900 0.02 . 1 . . . A 14 LEU HG . 19231 1 155 . 1 1 14 14 LEU HD11 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD11 . 19231 1 156 . 1 1 14 14 LEU HD12 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD12 . 19231 1 157 . 1 1 14 14 LEU HD13 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD13 . 19231 1 158 . 1 1 14 14 LEU HD21 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD21 . 19231 1 159 . 1 1 14 14 LEU HD22 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD22 . 19231 1 160 . 1 1 14 14 LEU HD23 H 1 0.8400 0.02 . 2 . . . A 14 LEU HD23 . 19231 1 161 . 1 1 14 14 LEU C C 13 174.8070 0.2 . 1 . . . A 14 LEU C . 19231 1 162 . 1 1 14 14 LEU CA C 13 53.8160 0.2 . 1 . . . A 14 LEU CA . 19231 1 163 . 1 1 14 14 LEU CB C 13 45.8060 0.2 . 1 . . . A 14 LEU CB . 19231 1 164 . 1 1 14 14 LEU CG C 13 27.3340 0.2 . 1 . . . A 14 LEU CG . 19231 1 165 . 1 1 14 14 LEU CD1 C 13 26.2600 0.2 . 2 . . . A 14 LEU CD1 . 19231 1 166 . 1 1 14 14 LEU CD2 C 13 26.2600 0.2 . 2 . . . A 14 LEU CD2 . 19231 1 167 . 1 1 14 14 LEU N N 15 127.7430 0.2 . 1 . . . A 14 LEU N . 19231 1 168 . 1 1 15 15 ASN H H 1 9.5200 0.02 . 1 . . . A 15 ASN H . 19231 1 169 . 1 1 15 15 ASN HA H 1 5.4070 0.02 . 1 . . . A 15 ASN HA . 19231 1 170 . 1 1 15 15 ASN HB2 H 1 3.1500 0.02 . 2 . . . A 15 ASN HB2 . 19231 1 171 . 1 1 15 15 ASN HB3 H 1 3.0300 0.02 . 2 . . . A 15 ASN HB3 . 19231 1 172 . 1 1 15 15 ASN HD21 H 1 7.7220 0.02 . 2 . . . A 15 ASN HD21 . 19231 1 173 . 1 1 15 15 ASN HD22 H 1 8.5420 0.02 . 2 . . . A 15 ASN HD22 . 19231 1 174 . 1 1 15 15 ASN C C 13 175.6210 0.2 . 1 . . . A 15 ASN C . 19231 1 175 . 1 1 15 15 ASN CA C 13 52.0440 0.2 . 1 . . . A 15 ASN CA . 19231 1 176 . 1 1 15 15 ASN CB C 13 40.0670 0.2 . 1 . . . A 15 ASN CB . 19231 1 177 . 1 1 15 15 ASN N N 15 125.5770 0.2 . 1 . . . A 15 ASN N . 19231 1 178 . 1 1 15 15 ASN ND2 N 15 115.9270 0.2 . 1 . . . A 15 ASN ND2 . 19231 1 179 . 1 1 16 16 VAL H H 1 8.7590 0.02 . 1 . . . A 16 VAL H . 19231 1 180 . 1 1 16 16 VAL HA H 1 4.0800 0.02 . 1 . . . A 16 VAL HA . 19231 1 181 . 1 1 16 16 VAL HB H 1 2.2200 0.02 . 1 . . . A 16 VAL HB . 19231 1 182 . 1 1 16 16 VAL HG11 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG11 . 19231 1 183 . 1 1 16 16 VAL HG12 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG12 . 19231 1 184 . 1 1 16 16 VAL HG13 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG13 . 19231 1 185 . 1 1 16 16 VAL HG21 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG21 . 19231 1 186 . 1 1 16 16 VAL HG22 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG22 . 19231 1 187 . 1 1 16 16 VAL HG23 H 1 1.0400 0.02 . 2 . . . A 16 VAL HG23 . 19231 1 188 . 1 1 16 16 VAL C C 13 177.9020 0.2 . 1 . . . A 16 VAL C . 19231 1 189 . 1 1 16 16 VAL CA C 13 64.4140 0.2 . 1 . . . A 16 VAL CA . 19231 1 190 . 1 1 16 16 VAL CB C 13 32.2040 0.2 . 1 . . . A 16 VAL CB . 19231 1 191 . 1 1 16 16 VAL CG1 C 13 21.5170 0.2 . 2 . . . A 16 VAL CG1 . 19231 1 192 . 1 1 16 16 VAL CG2 C 13 21.5170 0.2 . 2 . . . A 16 VAL CG2 . 19231 1 193 . 1 1 16 16 VAL N N 15 123.4780 0.2 . 1 . . . A 16 VAL N . 19231 1 194 . 1 1 17 17 THR H H 1 8.0450 0.02 . 1 . . . A 17 THR H . 19231 1 195 . 1 1 17 17 THR HA H 1 4.3400 0.02 . 1 . . . A 17 THR HA . 19231 1 196 . 1 1 17 17 THR HB H 1 4.0800 0.02 . 1 . . . A 17 THR HB . 19231 1 197 . 1 1 17 17 THR HG21 H 1 1.2900 0.02 . 1 . . . A 17 THR HG21 . 19231 1 198 . 1 1 17 17 THR HG22 H 1 1.2900 0.02 . 1 . . . A 17 THR HG22 . 19231 1 199 . 1 1 17 17 THR HG23 H 1 1.2900 0.02 . 1 . . . A 17 THR HG23 . 19231 1 200 . 1 1 17 17 THR C C 13 176.1770 0.2 . 1 . . . A 17 THR C . 19231 1 201 . 1 1 17 17 THR CA C 13 65.9220 0.2 . 1 . . . A 17 THR CA . 19231 1 202 . 1 1 17 17 THR CB C 13 68.8990 0.2 . 1 . . . A 17 THR CB . 19231 1 203 . 1 1 17 17 THR CG2 C 13 21.5170 0.2 . 1 . . . A 17 THR CG2 . 19231 1 204 . 1 1 17 17 THR N N 15 117.0040 0.2 . 1 . . . A 17 THR N . 19231 1 205 . 1 1 18 18 ARG H H 1 8.0350 0.02 . 1 . . . A 18 ARG H . 19231 1 206 . 1 1 18 18 ARG HA H 1 4.1980 0.02 . 1 . . . A 18 ARG HA . 19231 1 207 . 1 1 18 18 ARG HB2 H 1 2.0440 0.02 . 2 . . . A 18 ARG HB2 . 19231 1 208 . 1 1 18 18 ARG HB3 H 1 1.1960 0.02 . 2 . . . A 18 ARG HB3 . 19231 1 209 . 1 1 18 18 ARG HG2 H 1 1.7600 0.02 . 2 . . . A 18 ARG HG2 . 19231 1 210 . 1 1 18 18 ARG HG3 H 1 1.6200 0.02 . 2 . . . A 18 ARG HG3 . 19231 1 211 . 1 1 18 18 ARG HD2 H 1 3.2600 0.02 . 2 . . . A 18 ARG HD2 . 19231 1 212 . 1 1 18 18 ARG HD3 H 1 3.1600 0.02 . 2 . . . A 18 ARG HD3 . 19231 1 213 . 1 1 18 18 ARG C C 13 174.8020 0.2 . 1 . . . A 18 ARG C . 19231 1 214 . 1 1 18 18 ARG CA C 13 55.6050 0.2 . 1 . . . A 18 ARG CA . 19231 1 215 . 1 1 18 18 ARG CB C 13 31.2250 0.2 . 1 . . . A 18 ARG CB . 19231 1 216 . 1 1 18 18 ARG CG C 13 27.3820 0.2 . 1 . . . A 18 ARG CG . 19231 1 217 . 1 1 18 18 ARG CD C 13 43.3100 0.2 . 1 . . . A 18 ARG CD . 19231 1 218 . 1 1 18 18 ARG N N 15 117.5650 0.2 . 1 . . . A 18 ARG N . 19231 1 219 . 1 1 19 19 ARG H H 1 7.8770 0.02 . 1 . . . A 19 ARG H . 19231 1 220 . 1 1 19 19 ARG HA H 1 3.9140 0.02 . 1 . . . A 19 ARG HA . 19231 1 221 . 1 1 19 19 ARG HB2 H 1 1.7330 0.02 . 2 . . . A 19 ARG HB2 . 19231 1 222 . 1 1 19 19 ARG HB3 H 1 0.7540 0.02 . 2 . . . A 19 ARG HB3 . 19231 1 223 . 1 1 19 19 ARG HG2 H 1 1.3000 0.02 . 2 . . . A 19 ARG HG2 . 19231 1 224 . 1 1 19 19 ARG HG3 H 1 1.3000 0.02 . 2 . . . A 19 ARG HG3 . 19231 1 225 . 1 1 19 19 ARG HD2 H 1 3.0800 0.02 . 2 . . . A 19 ARG HD2 . 19231 1 226 . 1 1 19 19 ARG HD3 H 1 2.9800 0.02 . 2 . . . A 19 ARG HD3 . 19231 1 227 . 1 1 19 19 ARG C C 13 174.3590 0.2 . 1 . . . A 19 ARG C . 19231 1 228 . 1 1 19 19 ARG CA C 13 56.4870 0.2 . 1 . . . A 19 ARG CA . 19231 1 229 . 1 1 19 19 ARG CB C 13 26.2480 0.2 . 1 . . . A 19 ARG CB . 19231 1 230 . 1 1 19 19 ARG CG C 13 27.1670 0.2 . 1 . . . A 19 ARG CG . 19231 1 231 . 1 1 19 19 ARG CD C 13 43.7090 0.2 . 1 . . . A 19 ARG CD . 19231 1 232 . 1 1 19 19 ARG N N 15 117.4710 0.2 . 1 . . . A 19 ARG N . 19231 1 233 . 1 1 20 20 LEU H H 1 7.5650 0.02 . 1 . . . A 20 LEU H . 19231 1 234 . 1 1 20 20 LEU HA H 1 4.5300 0.02 . 1 . . . A 20 LEU HA . 19231 1 235 . 1 1 20 20 LEU HB2 H 1 1.0670 0.02 . 2 . . . A 20 LEU HB2 . 19231 1 236 . 1 1 20 20 LEU HB3 H 1 0.6570 0.02 . 2 . . . A 20 LEU HB3 . 19231 1 237 . 1 1 20 20 LEU HG H 1 1.2200 0.02 . 1 . . . A 20 LEU HG . 19231 1 238 . 1 1 20 20 LEU HD11 H 1 0.7700 0.02 . 2 . . . A 20 LEU HD11 . 19231 1 239 . 1 1 20 20 LEU HD12 H 1 0.7700 0.02 . 2 . . . A 20 LEU HD12 . 19231 1 240 . 1 1 20 20 LEU HD13 H 1 0.7700 0.02 . 2 . . . A 20 LEU HD13 . 19231 1 241 . 1 1 20 20 LEU HD21 H 1 0.6600 0.02 . 2 . . . A 20 LEU HD21 . 19231 1 242 . 1 1 20 20 LEU HD22 H 1 0.6600 0.02 . 2 . . . A 20 LEU HD22 . 19231 1 243 . 1 1 20 20 LEU HD23 H 1 0.6600 0.02 . 2 . . . A 20 LEU HD23 . 19231 1 244 . 1 1 20 20 LEU C C 13 174.6190 0.2 . 1 . . . A 20 LEU C . 19231 1 245 . 1 1 20 20 LEU CA C 13 52.8540 0.2 . 1 . . . A 20 LEU CA . 19231 1 246 . 1 1 20 20 LEU CB C 13 47.2470 0.2 . 1 . . . A 20 LEU CB . 19231 1 247 . 1 1 20 20 LEU CG C 13 25.8160 0.2 . 1 . . . A 20 LEU CG . 19231 1 248 . 1 1 20 20 LEU CD1 C 13 25.6700 0.2 . 2 . . . A 20 LEU CD1 . 19231 1 249 . 1 1 20 20 LEU CD2 C 13 23.0780 0.2 . 2 . . . A 20 LEU CD2 . 19231 1 250 . 1 1 20 20 LEU N N 15 118.7010 0.2 . 1 . . . A 20 LEU N . 19231 1 251 . 1 1 21 21 VAL H H 1 8.4660 0.02 . 1 . . . A 21 VAL H . 19231 1 252 . 1 1 21 21 VAL HA H 1 5.1970 0.02 . 1 . . . A 21 VAL HA . 19231 1 253 . 1 1 21 21 VAL HB H 1 1.7870 0.02 . 1 . . . A 21 VAL HB . 19231 1 254 . 1 1 21 21 VAL HG11 H 1 0.9500 0.02 . 2 . . . A 21 VAL HG11 . 19231 1 255 . 1 1 21 21 VAL HG12 H 1 0.9500 0.02 . 2 . . . A 21 VAL HG12 . 19231 1 256 . 1 1 21 21 VAL HG13 H 1 0.9500 0.02 . 2 . . . A 21 VAL HG13 . 19231 1 257 . 1 1 21 21 VAL HG21 H 1 0.8900 0.02 . 2 . . . A 21 VAL HG21 . 19231 1 258 . 1 1 21 21 VAL HG22 H 1 0.8900 0.02 . 2 . . . A 21 VAL HG22 . 19231 1 259 . 1 1 21 21 VAL HG23 H 1 0.8900 0.02 . 2 . . . A 21 VAL HG23 . 19231 1 260 . 1 1 21 21 VAL C C 13 174.0360 0.2 . 1 . . . A 21 VAL C . 19231 1 261 . 1 1 21 21 VAL CA C 13 59.8710 0.2 . 1 . . . A 21 VAL CA . 19231 1 262 . 1 1 21 21 VAL CB C 13 34.4480 0.2 . 1 . . . A 21 VAL CB . 19231 1 263 . 1 1 21 21 VAL CG1 C 13 22.3440 0.2 . 2 . . . A 21 VAL CG1 . 19231 1 264 . 1 1 21 21 VAL CG2 C 13 22.3400 0.2 . 2 . . . A 21 VAL CG2 . 19231 1 265 . 1 1 21 21 VAL N N 15 120.6360 0.2 . 1 . . . A 21 VAL N . 19231 1 266 . 1 1 22 22 TRP H H 1 9.5960 0.02 . 1 . . . A 22 TRP H . 19231 1 267 . 1 1 22 22 TRP HA H 1 5.1300 0.02 . 1 . . . A 22 TRP HA . 19231 1 268 . 1 1 22 22 TRP HB2 H 1 3.0300 0.02 . 2 . . . A 22 TRP HB2 . 19231 1 269 . 1 1 22 22 TRP HB3 H 1 3.0300 0.02 . 2 . . . A 22 TRP HB3 . 19231 1 270 . 1 1 22 22 TRP HD1 H 1 6.7900 0.02 . 1 . . . A 22 TRP HD1 . 19231 1 271 . 1 1 22 22 TRP HE1 H 1 10.1380 0.02 . 1 . . . A 22 TRP HE1 . 19231 1 272 . 1 1 22 22 TRP HE3 H 1 7.5000 0.02 . 1 . . . A 22 TRP HE3 . 19231 1 273 . 1 1 22 22 TRP HZ2 H 1 7.3800 0.02 . 1 . . . A 22 TRP HZ2 . 19231 1 274 . 1 1 22 22 TRP HZ3 H 1 6.8600 0.02 . 1 . . . A 22 TRP HZ3 . 19231 1 275 . 1 1 22 22 TRP HH2 H 1 7.0100 0.02 . 1 . . . A 22 TRP HH2 . 19231 1 276 . 1 1 22 22 TRP C C 13 174.8770 0.2 . 1 . . . A 22 TRP C . 19231 1 277 . 1 1 22 22 TRP CA C 13 57.0670 0.2 . 1 . . . A 22 TRP CA . 19231 1 278 . 1 1 22 22 TRP CB C 13 33.1370 0.2 . 1 . . . A 22 TRP CB . 19231 1 279 . 1 1 22 22 TRP CD1 C 13 125.8300 0.2 . 1 . . . A 22 TRP CD1 . 19231 1 280 . 1 1 22 22 TRP CE3 C 13 121.6200 0.2 . 1 . . . A 22 TRP CE3 . 19231 1 281 . 1 1 22 22 TRP CZ2 C 13 114.3900 0.2 . 1 . . . A 22 TRP CZ2 . 19231 1 282 . 1 1 22 22 TRP CZ3 C 13 121.6700 0.2 . 1 . . . A 22 TRP CZ3 . 19231 1 283 . 1 1 22 22 TRP CH2 C 13 124.1000 0.2 . 1 . . . A 22 TRP CH2 . 19231 1 284 . 1 1 22 22 TRP N N 15 126.7090 0.2 . 1 . . . A 22 TRP N . 19231 1 285 . 1 1 22 22 TRP NE1 N 15 128.5840 0.2 . 1 . . . A 22 TRP NE1 . 19231 1 286 . 1 1 23 23 LEU H H 1 8.8340 0.02 . 1 . . . A 23 LEU H . 19231 1 287 . 1 1 23 23 LEU HA H 1 5.0340 0.02 . 1 . . . A 23 LEU HA . 19231 1 288 . 1 1 23 23 LEU HB2 H 1 1.9800 0.02 . 2 . . . A 23 LEU HB2 . 19231 1 289 . 1 1 23 23 LEU HB3 H 1 1.2200 0.02 . 2 . . . A 23 LEU HB3 . 19231 1 290 . 1 1 23 23 LEU HG H 1 1.5100 0.02 . 1 . . . A 23 LEU HG . 19231 1 291 . 1 1 23 23 LEU HD11 H 1 1.0200 0.02 . 2 . . . A 23 LEU HD11 . 19231 1 292 . 1 1 23 23 LEU HD12 H 1 1.0200 0.02 . 2 . . . A 23 LEU HD12 . 19231 1 293 . 1 1 23 23 LEU HD13 H 1 1.0200 0.02 . 2 . . . A 23 LEU HD13 . 19231 1 294 . 1 1 23 23 LEU HD21 H 1 0.9700 0.02 . 2 . . . A 23 LEU HD21 . 19231 1 295 . 1 1 23 23 LEU HD22 H 1 0.9700 0.02 . 2 . . . A 23 LEU HD22 . 19231 1 296 . 1 1 23 23 LEU HD23 H 1 0.9700 0.02 . 2 . . . A 23 LEU HD23 . 19231 1 297 . 1 1 23 23 LEU C C 13 177.5520 0.2 . 1 . . . A 23 LEU C . 19231 1 298 . 1 1 23 23 LEU CA C 13 53.4270 0.2 . 1 . . . A 23 LEU CA . 19231 1 299 . 1 1 23 23 LEU CB C 13 43.9220 0.2 . 1 . . . A 23 LEU CB . 19231 1 300 . 1 1 23 23 LEU CG C 13 27.1110 0.2 . 1 . . . A 23 LEU CG . 19231 1 301 . 1 1 23 23 LEU CD1 C 13 26.2600 0.2 . 2 . . . A 23 LEU CD1 . 19231 1 302 . 1 1 23 23 LEU CD2 C 13 24.6060 0.2 . 2 . . . A 23 LEU CD2 . 19231 1 303 . 1 1 23 23 LEU N N 15 123.4430 0.2 . 1 . . . A 23 LEU N . 19231 1 304 . 1 1 24 24 GLY H H 1 9.4010 0.02 . 1 . . . A 24 GLY H . 19231 1 305 . 1 1 24 24 GLY HA2 H 1 4.1520 0.02 . 2 . . . A 24 GLY HA2 . 19231 1 306 . 1 1 24 24 GLY HA3 H 1 3.8380 0.02 . 2 . . . A 24 GLY HA3 . 19231 1 307 . 1 1 24 24 GLY C C 13 174.9150 0.2 . 1 . . . A 24 GLY C . 19231 1 308 . 1 1 24 24 GLY CA C 13 47.2200 0.2 . 1 . . . A 24 GLY CA . 19231 1 309 . 1 1 24 24 GLY N N 15 117.5460 0.2 . 1 . . . A 24 GLY N . 19231 1 310 . 1 1 25 25 GLU H H 1 9.0510 0.02 . 1 . . . A 25 GLU H . 19231 1 311 . 1 1 25 25 GLU HA H 1 4.3280 0.02 . 1 . . . A 25 GLU HA . 19231 1 312 . 1 1 25 25 GLU HB2 H 1 2.3100 0.02 . 2 . . . A 25 GLU HB2 . 19231 1 313 . 1 1 25 25 GLU HB3 H 1 1.9850 0.02 . 2 . . . A 25 GLU HB3 . 19231 1 314 . 1 1 25 25 GLU HG2 H 1 2.3000 0.02 . 2 . . . A 25 GLU HG2 . 19231 1 315 . 1 1 25 25 GLU HG3 H 1 2.2300 0.02 . 2 . . . A 25 GLU HG3 . 19231 1 316 . 1 1 25 25 GLU C C 13 176.3500 0.2 . 1 . . . A 25 GLU C . 19231 1 317 . 1 1 25 25 GLU CA C 13 56.4000 0.2 . 1 . . . A 25 GLU CA . 19231 1 318 . 1 1 25 25 GLU CB C 13 29.8110 0.2 . 1 . . . A 25 GLU CB . 19231 1 319 . 1 1 25 25 GLU CG C 13 36.2460 0.2 . 1 . . . A 25 GLU CG . 19231 1 320 . 1 1 25 25 GLU N N 15 124.5650 0.2 . 1 . . . A 25 GLU N . 19231 1 321 . 1 1 26 26 THR H H 1 8.1400 0.02 . 1 . . . A 26 THR H . 19231 1 322 . 1 1 26 26 THR HA H 1 4.3050 0.02 . 1 . . . A 26 THR HA . 19231 1 323 . 1 1 26 26 THR HB H 1 4.5370 0.02 . 1 . . . A 26 THR HB . 19231 1 324 . 1 1 26 26 THR HG21 H 1 1.3200 0.02 . 1 . . . A 26 THR HG21 . 19231 1 325 . 1 1 26 26 THR HG22 H 1 1.3200 0.02 . 1 . . . A 26 THR HG22 . 19231 1 326 . 1 1 26 26 THR HG23 H 1 1.3200 0.02 . 1 . . . A 26 THR HG23 . 19231 1 327 . 1 1 26 26 THR C C 13 173.2260 0.2 . 1 . . . A 26 THR C . 19231 1 328 . 1 1 26 26 THR CA C 13 62.1180 0.2 . 1 . . . A 26 THR CA . 19231 1 329 . 1 1 26 26 THR CB C 13 70.3990 0.2 . 1 . . . A 26 THR CB . 19231 1 330 . 1 1 26 26 THR CG2 C 13 21.7990 0.2 . 1 . . . A 26 THR CG2 . 19231 1 331 . 1 1 26 26 THR N N 15 117.5380 0.2 . 1 . . . A 26 THR N . 19231 1 332 . 1 1 27 27 ALA H H 1 8.9370 0.02 . 1 . . . A 27 ALA H . 19231 1 333 . 1 1 27 27 ALA HA H 1 4.0900 0.02 . 1 . . . A 27 ALA HA . 19231 1 334 . 1 1 27 27 ALA HB1 H 1 1.0500 0.02 . 1 . . . A 27 ALA HB1 . 19231 1 335 . 1 1 27 27 ALA HB2 H 1 1.0500 0.02 . 1 . . . A 27 ALA HB2 . 19231 1 336 . 1 1 27 27 ALA HB3 H 1 1.0500 0.02 . 1 . . . A 27 ALA HB3 . 19231 1 337 . 1 1 27 27 ALA C C 13 177.4830 0.2 . 1 . . . A 27 ALA C . 19231 1 338 . 1 1 27 27 ALA CA C 13 52.4340 0.2 . 1 . . . A 27 ALA CA . 19231 1 339 . 1 1 27 27 ALA CB C 13 17.9150 0.2 . 1 . . . A 27 ALA CB . 19231 1 340 . 1 1 27 27 ALA N N 15 131.1830 0.2 . 1 . . . A 27 ALA N . 19231 1 341 . 1 1 28 28 LEU H H 1 8.6630 0.02 . 1 . . . A 28 LEU H . 19231 1 342 . 1 1 28 28 LEU HA H 1 4.3360 0.02 . 1 . . . A 28 LEU HA . 19231 1 343 . 1 1 28 28 LEU HB2 H 1 1.5460 0.02 . 2 . . . A 28 LEU HB2 . 19231 1 344 . 1 1 28 28 LEU HB3 H 1 1.5460 0.02 . 2 . . . A 28 LEU HB3 . 19231 1 345 . 1 1 28 28 LEU HG H 1 1.0900 0.02 . 1 . . . A 28 LEU HG . 19231 1 346 . 1 1 28 28 LEU HD11 H 1 0.7400 0.02 . 2 . . . A 28 LEU HD11 . 19231 1 347 . 1 1 28 28 LEU HD12 H 1 0.7400 0.02 . 2 . . . A 28 LEU HD12 . 19231 1 348 . 1 1 28 28 LEU HD13 H 1 0.7400 0.02 . 2 . . . A 28 LEU HD13 . 19231 1 349 . 1 1 28 28 LEU HD21 H 1 0.8300 0.02 . 2 . . . A 28 LEU HD21 . 19231 1 350 . 1 1 28 28 LEU HD22 H 1 0.8300 0.02 . 2 . . . A 28 LEU HD22 . 19231 1 351 . 1 1 28 28 LEU HD23 H 1 0.8300 0.02 . 2 . . . A 28 LEU HD23 . 19231 1 352 . 1 1 28 28 LEU C C 13 176.1140 0.2 . 1 . . . A 28 LEU C . 19231 1 353 . 1 1 28 28 LEU CA C 13 53.6060 0.2 . 1 . . . A 28 LEU CA . 19231 1 354 . 1 1 28 28 LEU CB C 13 43.3220 0.2 . 1 . . . A 28 LEU CB . 19231 1 355 . 1 1 28 28 LEU CG C 13 26.2490 0.2 . 1 . . . A 28 LEU CG . 19231 1 356 . 1 1 28 28 LEU CD1 C 13 23.5360 0.2 . 2 . . . A 28 LEU CD1 . 19231 1 357 . 1 1 28 28 LEU CD2 C 13 23.5360 0.2 . 2 . . . A 28 LEU CD2 . 19231 1 358 . 1 1 28 28 LEU N N 15 124.1600 0.2 . 1 . . . A 28 LEU N . 19231 1 359 . 1 1 29 29 ASP H H 1 8.6900 0.02 . 1 . . . A 29 ASP H . 19231 1 360 . 1 1 29 29 ASP HA H 1 4.7100 0.02 . 1 . . . A 29 ASP HA . 19231 1 361 . 1 1 29 29 ASP HB2 H 1 2.7450 0.02 . 2 . . . A 29 ASP HB2 . 19231 1 362 . 1 1 29 29 ASP HB3 H 1 2.5070 0.02 . 2 . . . A 29 ASP HB3 . 19231 1 363 . 1 1 29 29 ASP C C 13 174.7210 0.2 . 1 . . . A 29 ASP C . 19231 1 364 . 1 1 29 29 ASP CA C 13 53.3240 0.2 . 1 . . . A 29 ASP CA . 19231 1 365 . 1 1 29 29 ASP CB C 13 40.3360 0.2 . 1 . . . A 29 ASP CB . 19231 1 366 . 1 1 29 29 ASP N N 15 124.7150 0.2 . 1 . . . A 29 ASP N . 19231 1 367 . 1 1 30 30 LEU H H 1 7.9690 0.02 . 1 . . . A 30 LEU H . 19231 1 368 . 1 1 30 30 LEU HA H 1 4.8310 0.02 . 1 . . . A 30 LEU HA . 19231 1 369 . 1 1 30 30 LEU HB2 H 1 1.7500 0.02 . 2 . . . A 30 LEU HB2 . 19231 1 370 . 1 1 30 30 LEU HB3 H 1 1.7500 0.02 . 2 . . . A 30 LEU HB3 . 19231 1 371 . 1 1 30 30 LEU HG H 1 1.5500 0.02 . 1 . . . A 30 LEU HG . 19231 1 372 . 1 1 30 30 LEU HD11 H 1 0.7300 0.02 . 2 . . . A 30 LEU HD11 . 19231 1 373 . 1 1 30 30 LEU HD12 H 1 0.7300 0.02 . 2 . . . A 30 LEU HD12 . 19231 1 374 . 1 1 30 30 LEU HD13 H 1 0.7300 0.02 . 2 . . . A 30 LEU HD13 . 19231 1 375 . 1 1 30 30 LEU HD21 H 1 0.8300 0.02 . 2 . . . A 30 LEU HD21 . 19231 1 376 . 1 1 30 30 LEU HD22 H 1 0.8300 0.02 . 2 . . . A 30 LEU HD22 . 19231 1 377 . 1 1 30 30 LEU HD23 H 1 0.8300 0.02 . 2 . . . A 30 LEU HD23 . 19231 1 378 . 1 1 30 30 LEU C C 13 177.9440 0.2 . 1 . . . A 30 LEU C . 19231 1 379 . 1 1 30 30 LEU CA C 13 52.9370 0.2 . 1 . . . A 30 LEU CA . 19231 1 380 . 1 1 30 30 LEU CB C 13 43.9800 0.2 . 1 . . . A 30 LEU CB . 19231 1 381 . 1 1 30 30 LEU CG C 13 26.8570 0.2 . 1 . . . A 30 LEU CG . 19231 1 382 . 1 1 30 30 LEU CD1 C 13 23.2200 0.2 . 2 . . . A 30 LEU CD1 . 19231 1 383 . 1 1 30 30 LEU CD2 C 13 23.2220 0.2 . 2 . . . A 30 LEU CD2 . 19231 1 384 . 1 1 30 30 LEU N N 15 123.4720 0.2 . 1 . . . A 30 LEU N . 19231 1 385 . 1 1 31 31 THR H H 1 8.8640 0.02 . 1 . . . A 31 THR H . 19231 1 386 . 1 1 31 31 THR HA H 1 4.7000 0.02 . 1 . . . A 31 THR HA . 19231 1 387 . 1 1 31 31 THR HB H 1 4.8000 0.02 . 1 . . . A 31 THR HB . 19231 1 388 . 1 1 31 31 THR HG21 H 1 1.3400 0.02 . 1 . . . A 31 THR HG21 . 19231 1 389 . 1 1 31 31 THR HG22 H 1 1.3400 0.02 . 1 . . . A 31 THR HG22 . 19231 1 390 . 1 1 31 31 THR HG23 H 1 1.3400 0.02 . 1 . . . A 31 THR HG23 . 19231 1 391 . 1 1 31 31 THR C C 13 173.6450 0.2 . 1 . . . A 31 THR C . 19231 1 392 . 1 1 31 31 THR CA C 13 60.7040 0.2 . 1 . . . A 31 THR CA . 19231 1 393 . 1 1 31 31 THR CB C 13 67.8690 0.2 . 1 . . . A 31 THR CB . 19231 1 394 . 1 1 31 31 THR CG2 C 13 22.1000 0.2 . 1 . . . A 31 THR CG2 . 19231 1 395 . 1 1 31 31 THR N N 15 115.9690 0.2 . 1 . . . A 31 THR N . 19231 1 396 . 1 1 32 32 PRO HA H 1 4.2800 0.02 . 1 . . . A 32 PRO HA . 19231 1 397 . 1 1 32 32 PRO HB2 H 1 2.3000 0.02 . 2 . . . A 32 PRO HB2 . 19231 1 398 . 1 1 32 32 PRO HB3 H 1 2.3000 0.02 . 2 . . . A 32 PRO HB3 . 19231 1 399 . 1 1 32 32 PRO HG2 H 1 2.0100 0.02 . 2 . . . A 32 PRO HG2 . 19231 1 400 . 1 1 32 32 PRO HG3 H 1 2.0100 0.02 . 2 . . . A 32 PRO HG3 . 19231 1 401 . 1 1 32 32 PRO HD2 H 1 3.8200 0.02 . 2 . . . A 32 PRO HD2 . 19231 1 402 . 1 1 32 32 PRO HD3 H 1 3.7400 0.02 . 2 . . . A 32 PRO HD3 . 19231 1 403 . 1 1 32 32 PRO C C 13 178.6570 0.2 . 1 . . . A 32 PRO C . 19231 1 404 . 1 1 32 32 PRO CA C 13 66.5040 0.2 . 1 . . . A 32 PRO CA . 19231 1 405 . 1 1 32 32 PRO CB C 13 31.9790 0.2 . 1 . . . A 32 PRO CB . 19231 1 406 . 1 1 32 32 PRO CG C 13 28.4000 0.2 . 1 . . . A 32 PRO CG . 19231 1 407 . 1 1 32 32 PRO CD C 13 50.7700 0.2 . 1 . . . A 32 PRO CD . 19231 1 408 . 1 1 33 33 LYS H H 1 8.0440 0.02 . 1 . . . A 33 LYS H . 19231 1 409 . 1 1 33 33 LYS HA H 1 3.9240 0.02 . 1 . . . A 33 LYS HA . 19231 1 410 . 1 1 33 33 LYS HB2 H 1 1.5200 0.02 . 2 . . . A 33 LYS HB2 . 19231 1 411 . 1 1 33 33 LYS HB3 H 1 1.1100 0.02 . 2 . . . A 33 LYS HB3 . 19231 1 412 . 1 1 33 33 LYS HG2 H 1 1.2600 0.02 . 2 . . . A 33 LYS HG2 . 19231 1 413 . 1 1 33 33 LYS HG3 H 1 1.2600 0.02 . 2 . . . A 33 LYS HG3 . 19231 1 414 . 1 1 33 33 LYS HD2 H 1 1.5700 0.02 . 2 . . . A 33 LYS HD2 . 19231 1 415 . 1 1 33 33 LYS HD3 H 1 1.4600 0.02 . 2 . . . A 33 LYS HD3 . 19231 1 416 . 1 1 33 33 LYS HE2 H 1 2.9700 0.02 . 2 . . . A 33 LYS HE2 . 19231 1 417 . 1 1 33 33 LYS HE3 H 1 2.9700 0.02 . 2 . . . A 33 LYS HE3 . 19231 1 418 . 1 1 33 33 LYS C C 13 178.0840 0.2 . 1 . . . A 33 LYS C . 19231 1 419 . 1 1 33 33 LYS CA C 13 59.6650 0.2 . 1 . . . A 33 LYS CA . 19231 1 420 . 1 1 33 33 LYS CB C 13 32.5720 0.2 . 1 . . . A 33 LYS CB . 19231 1 421 . 1 1 33 33 LYS CG C 13 26.9200 0.2 . 1 . . . A 33 LYS CG . 19231 1 422 . 1 1 33 33 LYS CD C 13 29.6860 0.2 . 1 . . . A 33 LYS CD . 19231 1 423 . 1 1 33 33 LYS CE C 13 42.3400 0.2 . 1 . . . A 33 LYS CE . 19231 1 424 . 1 1 33 33 LYS N N 15 116.4170 0.2 . 1 . . . A 33 LYS N . 19231 1 425 . 1 1 34 34 GLU H H 1 7.3760 0.02 . 1 . . . A 34 GLU H . 19231 1 426 . 1 1 34 34 GLU HA H 1 3.6200 0.02 . 1 . . . A 34 GLU HA . 19231 1 427 . 1 1 34 34 GLU HB2 H 1 2.4700 0.02 . 2 . . . A 34 GLU HB2 . 19231 1 428 . 1 1 34 34 GLU HB3 H 1 2.4700 0.02 . 2 . . . A 34 GLU HB3 . 19231 1 429 . 1 1 34 34 GLU HG2 H 1 2.4700 0.02 . 2 . . . A 34 GLU HG2 . 19231 1 430 . 1 1 34 34 GLU HG3 H 1 2.1700 0.02 . 2 . . . A 34 GLU HG3 . 19231 1 431 . 1 1 34 34 GLU C C 13 178.5120 0.2 . 1 . . . A 34 GLU C . 19231 1 432 . 1 1 34 34 GLU CA C 13 59.5440 0.2 . 1 . . . A 34 GLU CA . 19231 1 433 . 1 1 34 34 GLU CB C 13 30.5210 0.2 . 1 . . . A 34 GLU CB . 19231 1 434 . 1 1 34 34 GLU CG C 13 37.3310 0.2 . 1 . . . A 34 GLU CG . 19231 1 435 . 1 1 34 34 GLU N N 15 118.2720 0.2 . 1 . . . A 34 GLU N . 19231 1 436 . 1 1 35 35 TYR H H 1 8.9500 0.02 . 1 . . . A 35 TYR H . 19231 1 437 . 1 1 35 35 TYR HA H 1 3.6970 0.02 . 1 . . . A 35 TYR HA . 19231 1 438 . 1 1 35 35 TYR HB2 H 1 2.9490 0.02 . 2 . . . A 35 TYR HB2 . 19231 1 439 . 1 1 35 35 TYR HB3 H 1 2.9490 0.02 . 2 . . . A 35 TYR HB3 . 19231 1 440 . 1 1 35 35 TYR HD1 H 1 6.8100 0.02 . 3 . . . A 35 TYR HD1 . 19231 1 441 . 1 1 35 35 TYR HD2 H 1 6.8100 0.02 . 3 . . . A 35 TYR HD2 . 19231 1 442 . 1 1 35 35 TYR HE1 H 1 6.4600 0.02 . 3 . . . A 35 TYR HE1 . 19231 1 443 . 1 1 35 35 TYR HE2 H 1 6.4600 0.02 . 3 . . . A 35 TYR HE2 . 19231 1 444 . 1 1 35 35 TYR C C 13 177.5970 0.2 . 1 . . . A 35 TYR C . 19231 1 445 . 1 1 35 35 TYR CA C 13 62.3010 0.2 . 1 . . . A 35 TYR CA . 19231 1 446 . 1 1 35 35 TYR CB C 13 37.9340 0.2 . 1 . . . A 35 TYR CB . 19231 1 447 . 1 1 35 35 TYR CD1 C 13 132.3800 0.2 . 3 . . . A 35 TYR CD1 . 19231 1 448 . 1 1 35 35 TYR CD2 C 13 132.3800 0.2 . 3 . . . A 35 TYR CD2 . 19231 1 449 . 1 1 35 35 TYR CE1 C 13 117.5900 0.2 . 3 . . . A 35 TYR CE1 . 19231 1 450 . 1 1 35 35 TYR CE2 C 13 117.5900 0.2 . 3 . . . A 35 TYR CE2 . 19231 1 451 . 1 1 35 35 TYR N N 15 118.3510 0.2 . 1 . . . A 35 TYR N . 19231 1 452 . 1 1 36 36 ALA H H 1 8.1470 0.02 . 1 . . . A 36 ALA H . 19231 1 453 . 1 1 36 36 ALA HA H 1 3.7430 0.02 . 1 . . . A 36 ALA HA . 19231 1 454 . 1 1 36 36 ALA HB1 H 1 1.5090 0.02 . 1 . . . A 36 ALA HB1 . 19231 1 455 . 1 1 36 36 ALA HB2 H 1 1.5090 0.02 . 1 . . . A 36 ALA HB2 . 19231 1 456 . 1 1 36 36 ALA HB3 H 1 1.5090 0.02 . 1 . . . A 36 ALA HB3 . 19231 1 457 . 1 1 36 36 ALA C C 13 180.0610 0.2 . 1 . . . A 36 ALA C . 19231 1 458 . 1 1 36 36 ALA CA C 13 55.4130 0.2 . 1 . . . A 36 ALA CA . 19231 1 459 . 1 1 36 36 ALA CB C 13 18.0620 0.2 . 1 . . . A 36 ALA CB . 19231 1 460 . 1 1 36 36 ALA N N 15 123.9130 0.2 . 1 . . . A 36 ALA N . 19231 1 461 . 1 1 37 37 LEU H H 1 7.6510 0.02 . 1 . . . A 37 LEU H . 19231 1 462 . 1 1 37 37 LEU HA H 1 3.9100 0.02 . 1 . . . A 37 LEU HA . 19231 1 463 . 1 1 37 37 LEU HB2 H 1 1.7600 0.02 . 2 . . . A 37 LEU HB2 . 19231 1 464 . 1 1 37 37 LEU HB3 H 1 1.0700 0.02 . 2 . . . A 37 LEU HB3 . 19231 1 465 . 1 1 37 37 LEU HG H 1 1.6900 0.02 . 1 . . . A 37 LEU HG . 19231 1 466 . 1 1 37 37 LEU HD11 H 1 0.6600 0.02 . 2 . . . A 37 LEU HD11 . 19231 1 467 . 1 1 37 37 LEU HD12 H 1 0.6600 0.02 . 2 . . . A 37 LEU HD12 . 19231 1 468 . 1 1 37 37 LEU HD13 H 1 0.6600 0.02 . 2 . . . A 37 LEU HD13 . 19231 1 469 . 1 1 37 37 LEU HD21 H 1 0.7700 0.02 . 2 . . . A 37 LEU HD21 . 19231 1 470 . 1 1 37 37 LEU HD22 H 1 0.7700 0.02 . 2 . . . A 37 LEU HD22 . 19231 1 471 . 1 1 37 37 LEU HD23 H 1 0.7700 0.02 . 2 . . . A 37 LEU HD23 . 19231 1 472 . 1 1 37 37 LEU C C 13 177.7600 0.2 . 1 . . . A 37 LEU C . 19231 1 473 . 1 1 37 37 LEU CA C 13 57.3360 0.2 . 1 . . . A 37 LEU CA . 19231 1 474 . 1 1 37 37 LEU CB C 13 43.0430 0.2 . 1 . . . A 37 LEU CB . 19231 1 475 . 1 1 37 37 LEU CG C 13 26.2310 0.2 . 1 . . . A 37 LEU CG . 19231 1 476 . 1 1 37 37 LEU CD1 C 13 26.4000 0.2 . 2 . . . A 37 LEU CD1 . 19231 1 477 . 1 1 37 37 LEU CD2 C 13 26.4000 0.2 . 2 . . . A 37 LEU CD2 . 19231 1 478 . 1 1 37 37 LEU N N 15 116.9240 0.2 . 1 . . . A 37 LEU N . 19231 1 479 . 1 1 38 38 LEU H H 1 8.5500 0.02 . 1 . . . A 38 LEU H . 19231 1 480 . 1 1 38 38 LEU HA H 1 3.8700 0.02 . 1 . . . A 38 LEU HA . 19231 1 481 . 1 1 38 38 LEU HB2 H 1 1.5700 0.02 . 2 . . . A 38 LEU HB2 . 19231 1 482 . 1 1 38 38 LEU HB3 H 1 1.4500 0.02 . 2 . . . A 38 LEU HB3 . 19231 1 483 . 1 1 38 38 LEU HG H 1 1.4800 0.02 . 1 . . . A 38 LEU HG . 19231 1 484 . 1 1 38 38 LEU HD11 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD11 . 19231 1 485 . 1 1 38 38 LEU HD12 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD12 . 19231 1 486 . 1 1 38 38 LEU HD13 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD13 . 19231 1 487 . 1 1 38 38 LEU HD21 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD21 . 19231 1 488 . 1 1 38 38 LEU HD22 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD22 . 19231 1 489 . 1 1 38 38 LEU HD23 H 1 0.8600 0.02 . 2 . . . A 38 LEU HD23 . 19231 1 490 . 1 1 38 38 LEU C C 13 178.5240 0.2 . 1 . . . A 38 LEU C . 19231 1 491 . 1 1 38 38 LEU CA C 13 57.3970 0.2 . 1 . . . A 38 LEU CA . 19231 1 492 . 1 1 38 38 LEU CB C 13 41.1290 0.2 . 1 . . . A 38 LEU CB . 19231 1 493 . 1 1 38 38 LEU CG C 13 27.1930 0.2 . 1 . . . A 38 LEU CG . 19231 1 494 . 1 1 38 38 LEU CD1 C 13 23.1370 0.2 . 2 . . . A 38 LEU CD1 . 19231 1 495 . 1 1 38 38 LEU CD2 C 13 23.1370 0.2 . 2 . . . A 38 LEU CD2 . 19231 1 496 . 1 1 38 38 LEU N N 15 118.2320 0.2 . 1 . . . A 38 LEU N . 19231 1 497 . 1 1 39 39 SER H H 1 8.5400 0.02 . 1 . . . A 39 SER H . 19231 1 498 . 1 1 39 39 SER HA H 1 3.7000 0.02 . 1 . . . A 39 SER HA . 19231 1 499 . 1 1 39 39 SER HB2 H 1 3.4400 0.02 . 2 . . . A 39 SER HB2 . 19231 1 500 . 1 1 39 39 SER HB3 H 1 3.2800 0.02 . 2 . . . A 39 SER HB3 . 19231 1 501 . 1 1 39 39 SER C C 13 175.8540 0.2 . 1 . . . A 39 SER C . 19231 1 502 . 1 1 39 39 SER CA C 13 62.1260 0.2 . 1 . . . A 39 SER CA . 19231 1 503 . 1 1 39 39 SER CB C 13 68.2270 0.2 . 1 . . . A 39 SER CB . 19231 1 504 . 1 1 39 39 SER N N 15 113.0450 0.2 . 1 . . . A 39 SER N . 19231 1 505 . 1 1 40 40 ARG H H 1 7.1120 0.02 . 1 . . . A 40 ARG H . 19231 1 506 . 1 1 40 40 ARG HA H 1 4.0100 0.02 . 1 . . . A 40 ARG HA . 19231 1 507 . 1 1 40 40 ARG HB2 H 1 2.1400 0.02 . 2 . . . A 40 ARG HB2 . 19231 1 508 . 1 1 40 40 ARG HB3 H 1 1.8700 0.02 . 2 . . . A 40 ARG HB3 . 19231 1 509 . 1 1 40 40 ARG HG2 H 1 1.7200 0.02 . 2 . . . A 40 ARG HG2 . 19231 1 510 . 1 1 40 40 ARG HG3 H 1 1.5700 0.02 . 2 . . . A 40 ARG HG3 . 19231 1 511 . 1 1 40 40 ARG HD2 H 1 3.0000 0.02 . 2 . . . A 40 ARG HD2 . 19231 1 512 . 1 1 40 40 ARG HD3 H 1 3.0000 0.02 . 2 . . . A 40 ARG HD3 . 19231 1 513 . 1 1 40 40 ARG C C 13 178.7310 0.2 . 1 . . . A 40 ARG C . 19231 1 514 . 1 1 40 40 ARG CA C 13 58.3110 0.2 . 1 . . . A 40 ARG CA . 19231 1 515 . 1 1 40 40 ARG CB C 13 28.5250 0.2 . 1 . . . A 40 ARG CB . 19231 1 516 . 1 1 40 40 ARG CG C 13 25.8970 0.2 . 1 . . . A 40 ARG CG . 19231 1 517 . 1 1 40 40 ARG CD C 13 41.5060 0.2 . 1 . . . A 40 ARG CD . 19231 1 518 . 1 1 40 40 ARG N N 15 121.5210 0.2 . 1 . . . A 40 ARG N . 19231 1 519 . 1 1 41 41 LEU H H 1 7.9600 0.02 . 1 . . . A 41 LEU H . 19231 1 520 . 1 1 41 41 LEU HA H 1 3.9920 0.02 . 1 . . . A 41 LEU HA . 19231 1 521 . 1 1 41 41 LEU HB2 H 1 1.8730 0.02 . 2 . . . A 41 LEU HB2 . 19231 1 522 . 1 1 41 41 LEU HB3 H 1 1.4210 0.02 . 2 . . . A 41 LEU HB3 . 19231 1 523 . 1 1 41 41 LEU HG H 1 0.5700 0.02 . 1 . . . A 41 LEU HG . 19231 1 524 . 1 1 41 41 LEU HD11 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD11 . 19231 1 525 . 1 1 41 41 LEU HD12 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD12 . 19231 1 526 . 1 1 41 41 LEU HD13 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD13 . 19231 1 527 . 1 1 41 41 LEU HD21 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD21 . 19231 1 528 . 1 1 41 41 LEU HD22 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD22 . 19231 1 529 . 1 1 41 41 LEU HD23 H 1 0.8200 0.02 . 2 . . . A 41 LEU HD23 . 19231 1 530 . 1 1 41 41 LEU C C 13 180.0490 0.2 . 1 . . . A 41 LEU C . 19231 1 531 . 1 1 41 41 LEU CA C 13 57.8360 0.2 . 1 . . . A 41 LEU CA . 19231 1 532 . 1 1 41 41 LEU CB C 13 42.0160 0.2 . 1 . . . A 41 LEU CB . 19231 1 533 . 1 1 41 41 LEU CG C 13 25.9180 0.2 . 1 . . . A 41 LEU CG . 19231 1 534 . 1 1 41 41 LEU CD1 C 13 23.1060 0.2 . 2 . . . A 41 LEU CD1 . 19231 1 535 . 1 1 41 41 LEU CD2 C 13 23.1060 0.2 . 2 . . . A 41 LEU CD2 . 19231 1 536 . 1 1 41 41 LEU N N 15 115.9390 0.2 . 1 . . . A 41 LEU N . 19231 1 537 . 1 1 42 42 MET H H 1 8.8250 0.02 . 1 . . . A 42 MET H . 19231 1 538 . 1 1 42 42 MET HA H 1 3.8770 0.02 . 1 . . . A 42 MET HA . 19231 1 539 . 1 1 42 42 MET HB2 H 1 2.6900 0.02 . 2 . . . A 42 MET HB2 . 19231 1 540 . 1 1 42 42 MET HB3 H 1 2.0800 0.02 . 2 . . . A 42 MET HB3 . 19231 1 541 . 1 1 42 42 MET HG2 H 1 1.9000 0.02 . 2 . . . A 42 MET HG2 . 19231 1 542 . 1 1 42 42 MET HG3 H 1 1.9000 0.02 . 2 . . . A 42 MET HG3 . 19231 1 543 . 1 1 42 42 MET C C 13 178.7480 0.2 . 1 . . . A 42 MET C . 19231 1 544 . 1 1 42 42 MET CA C 13 59.5300 0.2 . 1 . . . A 42 MET CA . 19231 1 545 . 1 1 42 42 MET CB C 13 33.4490 0.2 . 1 . . . A 42 MET CB . 19231 1 546 . 1 1 42 42 MET CG C 13 33.4800 0.2 . 1 . . . A 42 MET CG . 19231 1 547 . 1 1 42 42 MET N N 15 116.3350 0.2 . 1 . . . A 42 MET N . 19231 1 548 . 1 1 43 43 MET H H 1 8.2500 0.02 . 1 . . . A 43 MET H . 19231 1 549 . 1 1 43 43 MET HA H 1 4.1370 0.02 . 1 . . . A 43 MET HA . 19231 1 550 . 1 1 43 43 MET HB2 H 1 2.0800 0.02 . 2 . . . A 43 MET HB2 . 19231 1 551 . 1 1 43 43 MET HB3 H 1 1.9300 0.02 . 2 . . . A 43 MET HB3 . 19231 1 552 . 1 1 43 43 MET HG2 H 1 2.2000 0.02 . 2 . . . A 43 MET HG2 . 19231 1 553 . 1 1 43 43 MET HG3 H 1 2.2000 0.02 . 2 . . . A 43 MET HG3 . 19231 1 554 . 1 1 43 43 MET C C 13 176.8130 0.2 . 1 . . . A 43 MET C . 19231 1 555 . 1 1 43 43 MET CA C 13 58.4050 0.2 . 1 . . . A 43 MET CA . 19231 1 556 . 1 1 43 43 MET CB C 13 32.3820 0.2 . 1 . . . A 43 MET CB . 19231 1 557 . 1 1 43 43 MET CG C 13 32.3500 0.2 . 1 . . . A 43 MET CG . 19231 1 558 . 1 1 43 43 MET N N 15 119.0000 0.2 . 1 . . . A 43 MET N . 19231 1 559 . 1 1 44 44 LYS H H 1 7.0880 0.02 . 1 . . . A 44 LYS H . 19231 1 560 . 1 1 44 44 LYS HA H 1 4.6310 0.02 . 1 . . . A 44 LYS HA . 19231 1 561 . 1 1 44 44 LYS HB2 H 1 2.1210 0.02 . 2 . . . A 44 LYS HB2 . 19231 1 562 . 1 1 44 44 LYS HB3 H 1 1.4980 0.02 . 2 . . . A 44 LYS HB3 . 19231 1 563 . 1 1 44 44 LYS HG2 H 1 1.4700 0.02 . 2 . . . A 44 LYS HG2 . 19231 1 564 . 1 1 44 44 LYS HG3 H 1 1.4700 0.02 . 2 . . . A 44 LYS HG3 . 19231 1 565 . 1 1 44 44 LYS HD2 H 1 1.7300 0.02 . 2 . . . A 44 LYS HD2 . 19231 1 566 . 1 1 44 44 LYS HD3 H 1 1.6700 0.02 . 2 . . . A 44 LYS HD3 . 19231 1 567 . 1 1 44 44 LYS HE2 H 1 3.0500 0.02 . 2 . . . A 44 LYS HE2 . 19231 1 568 . 1 1 44 44 LYS HE3 H 1 3.0100 0.02 . 2 . . . A 44 LYS HE3 . 19231 1 569 . 1 1 44 44 LYS C C 13 175.2260 0.2 . 1 . . . A 44 LYS C . 19231 1 570 . 1 1 44 44 LYS CA C 13 52.8260 0.2 . 1 . . . A 44 LYS CA . 19231 1 571 . 1 1 44 44 LYS CB C 13 31.4710 0.2 . 1 . . . A 44 LYS CB . 19231 1 572 . 1 1 44 44 LYS CG C 13 24.2340 0.2 . 1 . . . A 44 LYS CG . 19231 1 573 . 1 1 44 44 LYS CD C 13 28.2530 0.2 . 1 . . . A 44 LYS CD . 19231 1 574 . 1 1 44 44 LYS CE C 13 42.1200 0.2 . 1 . . . A 44 LYS CE . 19231 1 575 . 1 1 44 44 LYS N N 15 117.7150 0.2 . 1 . . . A 44 LYS N . 19231 1 576 . 1 1 45 45 ALA H H 1 6.9520 0.02 . 1 . . . A 45 ALA H . 19231 1 577 . 1 1 45 45 ALA HA H 1 4.3190 0.02 . 1 . . . A 45 ALA HA . 19231 1 578 . 1 1 45 45 ALA HB1 H 1 1.4950 0.02 . 1 . . . A 45 ALA HB1 . 19231 1 579 . 1 1 45 45 ALA HB2 H 1 1.4950 0.02 . 1 . . . A 45 ALA HB2 . 19231 1 580 . 1 1 45 45 ALA HB3 H 1 1.4950 0.02 . 1 . . . A 45 ALA HB3 . 19231 1 581 . 1 1 45 45 ALA C C 13 178.9940 0.2 . 1 . . . A 45 ALA C . 19231 1 582 . 1 1 45 45 ALA CA C 13 54.6740 0.2 . 1 . . . A 45 ALA CA . 19231 1 583 . 1 1 45 45 ALA CB C 13 19.3970 0.2 . 1 . . . A 45 ALA CB . 19231 1 584 . 1 1 45 45 ALA N N 15 122.6130 0.2 . 1 . . . A 45 ALA N . 19231 1 585 . 1 1 46 46 GLY H H 1 8.9440 0.02 . 1 . . . A 46 GLY H . 19231 1 586 . 1 1 46 46 GLY HA2 H 1 4.3780 0.02 . 2 . . . A 46 GLY HA2 . 19231 1 587 . 1 1 46 46 GLY HA3 H 1 3.7500 0.02 . 2 . . . A 46 GLY HA3 . 19231 1 588 . 1 1 46 46 GLY C C 13 173.5470 0.2 . 1 . . . A 46 GLY C . 19231 1 589 . 1 1 46 46 GLY CA C 13 45.4660 0.2 . 1 . . . A 46 GLY CA . 19231 1 590 . 1 1 46 46 GLY N N 15 109.5610 0.2 . 1 . . . A 46 GLY N . 19231 1 591 . 1 1 47 47 SER H H 1 8.7590 0.02 . 1 . . . A 47 SER H . 19231 1 592 . 1 1 47 47 SER HA H 1 5.1300 0.02 . 1 . . . A 47 SER HA . 19231 1 593 . 1 1 47 47 SER HB2 H 1 3.8700 0.02 . 2 . . . A 47 SER HB2 . 19231 1 594 . 1 1 47 47 SER HB3 H 1 3.8700 0.02 . 2 . . . A 47 SER HB3 . 19231 1 595 . 1 1 47 47 SER C C 13 170.4810 0.2 . 1 . . . A 47 SER C . 19231 1 596 . 1 1 47 47 SER CA C 13 55.9880 0.2 . 1 . . . A 47 SER CA . 19231 1 597 . 1 1 47 47 SER CB C 13 65.0980 0.2 . 1 . . . A 47 SER CB . 19231 1 598 . 1 1 47 47 SER N N 15 116.8860 0.2 . 1 . . . A 47 SER N . 19231 1 599 . 1 1 48 48 PRO HA H 1 4.4180 0.02 . 1 . . . A 48 PRO HA . 19231 1 600 . 1 1 48 48 PRO HB2 H 1 1.8100 0.02 . 2 . . . A 48 PRO HB2 . 19231 1 601 . 1 1 48 48 PRO HB3 H 1 1.7180 0.02 . 2 . . . A 48 PRO HB3 . 19231 1 602 . 1 1 48 48 PRO HG2 H 1 1.9000 0.02 . 2 . . . A 48 PRO HG2 . 19231 1 603 . 1 1 48 48 PRO HG3 H 1 1.7700 0.02 . 2 . . . A 48 PRO HG3 . 19231 1 604 . 1 1 48 48 PRO HD2 H 1 3.8400 0.02 . 2 . . . A 48 PRO HD2 . 19231 1 605 . 1 1 48 48 PRO HD3 H 1 3.6600 0.02 . 2 . . . A 48 PRO HD3 . 19231 1 606 . 1 1 48 48 PRO C C 13 175.8540 0.2 . 1 . . . A 48 PRO C . 19231 1 607 . 1 1 48 48 PRO CA C 13 62.4460 0.2 . 1 . . . A 48 PRO CA . 19231 1 608 . 1 1 48 48 PRO CB C 13 32.9090 0.2 . 1 . . . A 48 PRO CB . 19231 1 609 . 1 1 48 48 PRO CG C 13 27.4220 0.2 . 1 . . . A 48 PRO CG . 19231 1 610 . 1 1 48 48 PRO CD C 13 50.5300 0.2 . 1 . . . A 48 PRO CD . 19231 1 611 . 1 1 49 49 VAL H H 1 9.2350 0.02 . 1 . . . A 49 VAL H . 19231 1 612 . 1 1 49 49 VAL HA H 1 4.4110 0.02 . 1 . . . A 49 VAL HA . 19231 1 613 . 1 1 49 49 VAL HB H 1 2.0010 0.02 . 1 . . . A 49 VAL HB . 19231 1 614 . 1 1 49 49 VAL HG11 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG11 . 19231 1 615 . 1 1 49 49 VAL HG12 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG12 . 19231 1 616 . 1 1 49 49 VAL HG13 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG13 . 19231 1 617 . 1 1 49 49 VAL HG21 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG21 . 19231 1 618 . 1 1 49 49 VAL HG22 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG22 . 19231 1 619 . 1 1 49 49 VAL HG23 H 1 1.0700 0.02 . 2 . . . A 49 VAL HG23 . 19231 1 620 . 1 1 49 49 VAL C C 13 175.1860 0.2 . 1 . . . A 49 VAL C . 19231 1 621 . 1 1 49 49 VAL CA C 13 61.4590 0.2 . 1 . . . A 49 VAL CA . 19231 1 622 . 1 1 49 49 VAL CB C 13 33.4960 0.2 . 1 . . . A 49 VAL CB . 19231 1 623 . 1 1 49 49 VAL CG1 C 13 22.1590 0.2 . 2 . . . A 49 VAL CG1 . 19231 1 624 . 1 1 49 49 VAL CG2 C 13 22.1590 0.2 . 2 . . . A 49 VAL CG2 . 19231 1 625 . 1 1 49 49 VAL N N 15 124.1730 0.2 . 1 . . . A 49 VAL N . 19231 1 626 . 1 1 50 50 HIS H H 1 8.7910 0.02 . 1 . . . A 50 HIS H . 19231 1 627 . 1 1 50 50 HIS HA H 1 3.5700 0.02 . 1 . . . A 50 HIS HA . 19231 1 628 . 1 1 50 50 HIS HB2 H 1 2.8090 0.02 . 2 . . . A 50 HIS HB2 . 19231 1 629 . 1 1 50 50 HIS HD2 H 1 6.0400 0.02 . 1 . . . A 50 HIS HD2 . 19231 1 630 . 1 1 50 50 HIS HE1 H 1 7.6700 0.02 . 1 . . . A 50 HIS HE1 . 19231 1 631 . 1 1 50 50 HIS C C 13 177.1300 0.2 . 1 . . . A 50 HIS C . 19231 1 632 . 1 1 50 50 HIS CA C 13 58.4530 0.2 . 1 . . . A 50 HIS CA . 19231 1 633 . 1 1 50 50 HIS CB C 13 31.5420 0.2 . 1 . . . A 50 HIS CB . 19231 1 634 . 1 1 50 50 HIS CD2 C 13 118.6300 0.2 . 1 . . . A 50 HIS CD2 . 19231 1 635 . 1 1 50 50 HIS CE1 C 13 132.9700 0.2 . 1 . . . A 50 HIS CE1 . 19231 1 636 . 1 1 50 50 HIS N N 15 128.0350 0.2 . 1 . . . A 50 HIS N . 19231 1 637 . 1 1 51 51 ARG H H 1 8.5440 0.02 . 1 . . . A 51 ARG H . 19231 1 638 . 1 1 51 51 ARG HA H 1 3.8800 0.02 . 1 . . . A 51 ARG HA . 19231 1 639 . 1 1 51 51 ARG HB2 H 1 1.8200 0.02 . 2 . . . A 51 ARG HB2 . 19231 1 640 . 1 1 51 51 ARG HB3 H 1 1.5900 0.02 . 2 . . . A 51 ARG HB3 . 19231 1 641 . 1 1 51 51 ARG HG2 H 1 1.4600 0.02 . 2 . . . A 51 ARG HG2 . 19231 1 642 . 1 1 51 51 ARG HG3 H 1 1.4600 0.02 . 2 . . . A 51 ARG HG3 . 19231 1 643 . 1 1 51 51 ARG HD2 H 1 3.1300 0.02 . 2 . . . A 51 ARG HD2 . 19231 1 644 . 1 1 51 51 ARG HD3 H 1 3.1300 0.02 . 2 . . . A 51 ARG HD3 . 19231 1 645 . 1 1 51 51 ARG C C 13 176.7860 0.2 . 1 . . . A 51 ARG C . 19231 1 646 . 1 1 51 51 ARG CA C 13 60.0790 0.2 . 1 . . . A 51 ARG CA . 19231 1 647 . 1 1 51 51 ARG CB C 13 30.1500 0.2 . 1 . . . A 51 ARG CB . 19231 1 648 . 1 1 51 51 ARG CG C 13 27.4440 0.2 . 1 . . . A 51 ARG CG . 19231 1 649 . 1 1 51 51 ARG CD C 13 42.9930 0.2 . 1 . . . A 51 ARG CD . 19231 1 650 . 1 1 51 51 ARG N N 15 125.6310 0.2 . 1 . . . A 51 ARG N . 19231 1 651 . 1 1 52 52 GLU H H 1 10.8310 0.02 . 1 . . . A 52 GLU H . 19231 1 652 . 1 1 52 52 GLU HA H 1 4.0800 0.02 . 1 . . . A 52 GLU HA . 19231 1 653 . 1 1 52 52 GLU HB2 H 1 2.0800 0.02 . 2 . . . A 52 GLU HB2 . 19231 1 654 . 1 1 52 52 GLU HB3 H 1 2.0800 0.02 . 2 . . . A 52 GLU HB3 . 19231 1 655 . 1 1 52 52 GLU HG2 H 1 2.3700 0.02 . 2 . . . A 52 GLU HG2 . 19231 1 656 . 1 1 52 52 GLU HG3 H 1 2.3700 0.02 . 2 . . . A 52 GLU HG3 . 19231 1 657 . 1 1 52 52 GLU C C 13 179.3340 0.2 . 1 . . . A 52 GLU C . 19231 1 658 . 1 1 52 52 GLU CA C 13 59.7690 0.2 . 1 . . . A 52 GLU CA . 19231 1 659 . 1 1 52 52 GLU CB C 13 29.2280 0.2 . 1 . . . A 52 GLU CB . 19231 1 660 . 1 1 52 52 GLU CG C 13 36.9540 0.2 . 1 . . . A 52 GLU CG . 19231 1 661 . 1 1 52 52 GLU N N 15 120.9640 0.2 . 1 . . . A 52 GLU N . 19231 1 662 . 1 1 53 53 ILE H H 1 7.2390 0.02 . 1 . . . A 53 ILE H . 19231 1 663 . 1 1 53 53 ILE HA H 1 3.8710 0.02 . 1 . . . A 53 ILE HA . 19231 1 664 . 1 1 53 53 ILE HB H 1 2.1600 0.02 . 1 . . . A 53 ILE HB . 19231 1 665 . 1 1 53 53 ILE HG12 H 1 1.6900 0.02 . 2 . . . A 53 ILE HG12 . 19231 1 666 . 1 1 53 53 ILE HG13 H 1 1.3400 0.02 . 2 . . . A 53 ILE HG13 . 19231 1 667 . 1 1 53 53 ILE HG21 H 1 0.9000 0.02 . 1 . . . A 53 ILE HG21 . 19231 1 668 . 1 1 53 53 ILE HG22 H 1 0.9000 0.02 . 1 . . . A 53 ILE HG22 . 19231 1 669 . 1 1 53 53 ILE HG23 H 1 0.9000 0.02 . 1 . . . A 53 ILE HG23 . 19231 1 670 . 1 1 53 53 ILE HD11 H 1 0.9800 0.02 . 1 . . . A 53 ILE HD11 . 19231 1 671 . 1 1 53 53 ILE HD12 H 1 0.9800 0.02 . 1 . . . A 53 ILE HD12 . 19231 1 672 . 1 1 53 53 ILE HD13 H 1 0.9800 0.02 . 1 . . . A 53 ILE HD13 . 19231 1 673 . 1 1 53 53 ILE C C 13 178.0800 0.2 . 1 . . . A 53 ILE C . 19231 1 674 . 1 1 53 53 ILE CA C 13 63.1100 0.2 . 1 . . . A 53 ILE CA . 19231 1 675 . 1 1 53 53 ILE CB C 13 37.4960 0.2 . 1 . . . A 53 ILE CB . 19231 1 676 . 1 1 53 53 ILE CG1 C 13 28.5260 0.2 . 1 . . . A 53 ILE CG1 . 19231 1 677 . 1 1 53 53 ILE CG2 C 13 16.5960 0.2 . 1 . . . A 53 ILE CG2 . 19231 1 678 . 1 1 53 53 ILE CD1 C 13 12.2180 0.2 . 1 . . . A 53 ILE CD1 . 19231 1 679 . 1 1 53 53 ILE N N 15 119.3370 0.2 . 1 . . . A 53 ILE N . 19231 1 680 . 1 1 54 54 LEU H H 1 7.1980 0.02 . 1 . . . A 54 LEU H . 19231 1 681 . 1 1 54 54 LEU HA H 1 4.1600 0.02 . 1 . . . A 54 LEU HA . 19231 1 682 . 1 1 54 54 LEU HB2 H 1 1.9300 0.02 . 2 . . . A 54 LEU HB2 . 19231 1 683 . 1 1 54 54 LEU HB3 H 1 1.4250 0.02 . 2 . . . A 54 LEU HB3 . 19231 1 684 . 1 1 54 54 LEU HG H 1 1.8600 0.02 . 1 . . . A 54 LEU HG . 19231 1 685 . 1 1 54 54 LEU HD11 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD11 . 19231 1 686 . 1 1 54 54 LEU HD12 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD12 . 19231 1 687 . 1 1 54 54 LEU HD13 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD13 . 19231 1 688 . 1 1 54 54 LEU HD21 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD21 . 19231 1 689 . 1 1 54 54 LEU HD22 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD22 . 19231 1 690 . 1 1 54 54 LEU HD23 H 1 1.0300 0.02 . 2 . . . A 54 LEU HD23 . 19231 1 691 . 1 1 54 54 LEU C C 13 178.6760 0.2 . 1 . . . A 54 LEU C . 19231 1 692 . 1 1 54 54 LEU CA C 13 57.0740 0.2 . 1 . . . A 54 LEU CA . 19231 1 693 . 1 1 54 54 LEU CB C 13 41.3230 0.2 . 1 . . . A 54 LEU CB . 19231 1 694 . 1 1 54 54 LEU CG C 13 27.8210 0.2 . 1 . . . A 54 LEU CG . 19231 1 695 . 1 1 54 54 LEU CD1 C 13 22.3630 0.2 . 2 . . . A 54 LEU CD1 . 19231 1 696 . 1 1 54 54 LEU CD2 C 13 22.3630 0.2 . 2 . . . A 54 LEU CD2 . 19231 1 697 . 1 1 54 54 LEU N N 15 118.5020 0.2 . 1 . . . A 54 LEU N . 19231 1 698 . 1 1 55 55 TYR H H 1 8.8720 0.02 . 1 . . . A 55 TYR H . 19231 1 699 . 1 1 55 55 TYR HA H 1 4.1350 0.02 . 1 . . . A 55 TYR HA . 19231 1 700 . 1 1 55 55 TYR HB2 H 1 3.1060 0.02 . 2 . . . A 55 TYR HB2 . 19231 1 701 . 1 1 55 55 TYR HB3 H 1 3.1060 0.02 . 2 . . . A 55 TYR HB3 . 19231 1 702 . 1 1 55 55 TYR HD1 H 1 7.1000 0.02 . 3 . . . A 55 TYR HD1 . 19231 1 703 . 1 1 55 55 TYR HD2 H 1 7.1000 0.02 . 3 . . . A 55 TYR HD2 . 19231 1 704 . 1 1 55 55 TYR HE1 H 1 6.8400 0.02 . 3 . . . A 55 TYR HE1 . 19231 1 705 . 1 1 55 55 TYR HE2 H 1 6.8400 0.02 . 3 . . . A 55 TYR HE2 . 19231 1 706 . 1 1 55 55 TYR C C 13 177.9870 0.2 . 1 . . . A 55 TYR C . 19231 1 707 . 1 1 55 55 TYR CA C 13 61.1370 0.2 . 1 . . . A 55 TYR CA . 19231 1 708 . 1 1 55 55 TYR CB C 13 38.1070 0.2 . 1 . . . A 55 TYR CB . 19231 1 709 . 1 1 55 55 TYR CD1 C 13 132.5800 0.2 . 3 . . . A 55 TYR CD1 . 19231 1 710 . 1 1 55 55 TYR CD2 C 13 132.5800 0.2 . 3 . . . A 55 TYR CD2 . 19231 1 711 . 1 1 55 55 TYR CE1 C 13 118.3300 0.2 . 3 . . . A 55 TYR CE1 . 19231 1 712 . 1 1 55 55 TYR CE2 C 13 118.3300 0.2 . 3 . . . A 55 TYR CE2 . 19231 1 713 . 1 1 55 55 TYR N N 15 117.1140 0.2 . 1 . . . A 55 TYR N . 19231 1 714 . 1 1 56 56 ASN H H 1 7.7960 0.02 . 1 . . . A 56 ASN H . 19231 1 715 . 1 1 56 56 ASN HA H 1 4.4850 0.02 . 1 . . . A 56 ASN HA . 19231 1 716 . 1 1 56 56 ASN HB2 H 1 3.0200 0.02 . 2 . . . A 56 ASN HB2 . 19231 1 717 . 1 1 56 56 ASN HB3 H 1 2.9400 0.02 . 2 . . . A 56 ASN HB3 . 19231 1 718 . 1 1 56 56 ASN HD21 H 1 7.0350 0.02 . 2 . . . A 56 ASN HD21 . 19231 1 719 . 1 1 56 56 ASN HD22 H 1 7.7470 0.02 . 2 . . . A 56 ASN HD22 . 19231 1 720 . 1 1 56 56 ASN C C 13 177.4390 0.2 . 1 . . . A 56 ASN C . 19231 1 721 . 1 1 56 56 ASN CA C 13 56.0130 0.2 . 1 . . . A 56 ASN CA . 19231 1 722 . 1 1 56 56 ASN CB C 13 38.2900 0.2 . 1 . . . A 56 ASN CB . 19231 1 723 . 1 1 56 56 ASN N N 15 116.7200 0.2 . 1 . . . A 56 ASN N . 19231 1 724 . 1 1 56 56 ASN ND2 N 15 113.0170 0.2 . 1 . . . A 56 ASN ND2 . 19231 1 725 . 1 1 57 57 ASP H H 1 7.8420 0.02 . 1 . . . A 57 ASP H . 19231 1 726 . 1 1 57 57 ASP HA H 1 4.5400 0.02 . 1 . . . A 57 ASP HA . 19231 1 727 . 1 1 57 57 ASP HB2 H 1 3.0000 0.02 . 2 . . . A 57 ASP HB2 . 19231 1 728 . 1 1 57 57 ASP HB3 H 1 2.3800 0.02 . 2 . . . A 57 ASP HB3 . 19231 1 729 . 1 1 57 57 ASP C C 13 177.8860 0.2 . 1 . . . A 57 ASP C . 19231 1 730 . 1 1 57 57 ASP CA C 13 57.0860 0.2 . 1 . . . A 57 ASP CA . 19231 1 731 . 1 1 57 57 ASP CB C 13 40.8800 0.2 . 1 . . . A 57 ASP CB . 19231 1 732 . 1 1 57 57 ASP N N 15 118.5320 0.2 . 1 . . . A 57 ASP N . 19231 1 733 . 1 1 58 58 ILE H H 1 7.2770 0.02 . 1 . . . A 58 ILE H . 19231 1 734 . 1 1 58 58 ILE HA H 1 4.3000 0.02 . 1 . . . A 58 ILE HA . 19231 1 735 . 1 1 58 58 ILE HB H 1 1.8100 0.02 . 1 . . . A 58 ILE HB . 19231 1 736 . 1 1 58 58 ILE HG12 H 1 1.3500 0.02 . 2 . . . A 58 ILE HG12 . 19231 1 737 . 1 1 58 58 ILE HG13 H 1 1.2600 0.02 . 2 . . . A 58 ILE HG13 . 19231 1 738 . 1 1 58 58 ILE HG21 H 1 0.6400 0.02 . 1 . . . A 58 ILE HG21 . 19231 1 739 . 1 1 58 58 ILE HG22 H 1 0.6400 0.02 . 1 . . . A 58 ILE HG22 . 19231 1 740 . 1 1 58 58 ILE HG23 H 1 0.6400 0.02 . 1 . . . A 58 ILE HG23 . 19231 1 741 . 1 1 58 58 ILE HD11 H 1 0.7000 0.02 . 1 . . . A 58 ILE HD11 . 19231 1 742 . 1 1 58 58 ILE HD12 H 1 0.7000 0.02 . 1 . . . A 58 ILE HD12 . 19231 1 743 . 1 1 58 58 ILE HD13 H 1 0.7000 0.02 . 1 . . . A 58 ILE HD13 . 19231 1 744 . 1 1 58 58 ILE C C 13 175.9160 0.2 . 1 . . . A 58 ILE C . 19231 1 745 . 1 1 58 58 ILE CA C 13 61.3400 0.2 . 1 . . . A 58 ILE CA . 19231 1 746 . 1 1 58 58 ILE CB C 13 38.8300 0.2 . 1 . . . A 58 ILE CB . 19231 1 747 . 1 1 58 58 ILE CG1 C 13 26.0820 0.2 . 1 . . . A 58 ILE CG1 . 19231 1 748 . 1 1 58 58 ILE CG2 C 13 18.9700 0.2 . 1 . . . A 58 ILE CG2 . 19231 1 749 . 1 1 58 58 ILE CD1 C 13 14.9560 0.2 . 1 . . . A 58 ILE CD1 . 19231 1 750 . 1 1 58 58 ILE N N 15 109.9750 0.2 . 1 . . . A 58 ILE N . 19231 1 751 . 1 1 59 59 TYR H H 1 7.7880 0.02 . 1 . . . A 59 TYR H . 19231 1 752 . 1 1 59 59 TYR HA H 1 4.2960 0.02 . 1 . . . A 59 TYR HA . 19231 1 753 . 1 1 59 59 TYR HB2 H 1 2.7700 0.02 . 2 . . . A 59 TYR HB2 . 19231 1 754 . 1 1 59 59 TYR HB3 H 1 2.7700 0.02 . 2 . . . A 59 TYR HB3 . 19231 1 755 . 1 1 59 59 TYR HD1 H 1 6.9100 0.02 . 3 . . . A 59 TYR HD1 . 19231 1 756 . 1 1 59 59 TYR HD2 H 1 6.9100 0.02 . 3 . . . A 59 TYR HD2 . 19231 1 757 . 1 1 59 59 TYR HE1 H 1 6.6700 0.02 . 3 . . . A 59 TYR HE1 . 19231 1 758 . 1 1 59 59 TYR HE2 H 1 6.6700 0.02 . 3 . . . A 59 TYR HE2 . 19231 1 759 . 1 1 59 59 TYR C C 13 176.0370 0.2 . 1 . . . A 59 TYR C . 19231 1 760 . 1 1 59 59 TYR CA C 13 59.1700 0.2 . 1 . . . A 59 TYR CA . 19231 1 761 . 1 1 59 59 TYR CB C 13 38.2770 0.2 . 1 . . . A 59 TYR CB . 19231 1 762 . 1 1 59 59 TYR CD1 C 13 132.9700 0.2 . 3 . . . A 59 TYR CD1 . 19231 1 763 . 1 1 59 59 TYR CD2 C 13 132.9700 0.2 . 3 . . . A 59 TYR CD2 . 19231 1 764 . 1 1 59 59 TYR CE1 C 13 118.0100 0.2 . 3 . . . A 59 TYR CE1 . 19231 1 765 . 1 1 59 59 TYR CE2 C 13 118.0100 0.2 . 3 . . . A 59 TYR CE2 . 19231 1 766 . 1 1 59 59 TYR N N 15 122.7610 0.2 . 1 . . . A 59 TYR N . 19231 1 767 . 1 1 60 60 SER H H 1 7.7210 0.02 . 1 . . . A 60 SER H . 19231 1 768 . 1 1 60 60 SER HA H 1 4.2920 0.02 . 1 . . . A 60 SER HA . 19231 1 769 . 1 1 60 60 SER HB2 H 1 3.7100 0.02 . 2 . . . A 60 SER HB2 . 19231 1 770 . 1 1 60 60 SER HB3 H 1 3.6800 0.02 . 2 . . . A 60 SER HB3 . 19231 1 771 . 1 1 60 60 SER C C 13 174.2060 0.2 . 1 . . . A 60 SER C . 19231 1 772 . 1 1 60 60 SER CA C 13 57.9760 0.2 . 1 . . . A 60 SER CA . 19231 1 773 . 1 1 60 60 SER CB C 13 63.8840 0.2 . 1 . . . A 60 SER CB . 19231 1 774 . 1 1 60 60 SER N N 15 117.3500 0.2 . 1 . . . A 60 SER N . 19231 1 775 . 1 1 61 61 TRP H H 1 7.9900 0.02 . 1 . . . A 61 TRP H . 19231 1 776 . 1 1 61 61 TRP HA H 1 4.4770 0.02 . 1 . . . A 61 TRP HA . 19231 1 777 . 1 1 61 61 TRP HB2 H 1 3.3700 0.02 . 2 . . . A 61 TRP HB2 . 19231 1 778 . 1 1 61 61 TRP HB3 H 1 3.2800 0.02 . 2 . . . A 61 TRP HB3 . 19231 1 779 . 1 1 61 61 TRP HD1 H 1 7.3200 0.02 . 1 . . . A 61 TRP HD1 . 19231 1 780 . 1 1 61 61 TRP HE1 H 1 10.1500 0.02 . 1 . . . A 61 TRP HE1 . 19231 1 781 . 1 1 61 61 TRP HE3 H 1 7.6600 0.02 . 1 . . . A 61 TRP HE3 . 19231 1 782 . 1 1 61 61 TRP HZ2 H 1 7.4800 0.02 . 1 . . . A 61 TRP HZ2 . 19231 1 783 . 1 1 61 61 TRP HZ3 H 1 7.1600 0.02 . 1 . . . A 61 TRP HZ3 . 19231 1 784 . 1 1 61 61 TRP HH2 H 1 7.2200 0.02 . 1 . . . A 61 TRP HH2 . 19231 1 785 . 1 1 61 61 TRP C C 13 175.7980 0.2 . 1 . . . A 61 TRP C . 19231 1 786 . 1 1 61 61 TRP CA C 13 57.8630 0.2 . 1 . . . A 61 TRP CA . 19231 1 787 . 1 1 61 61 TRP CB C 13 28.8260 0.2 . 1 . . . A 61 TRP CB . 19231 1 788 . 1 1 61 61 TRP CD1 C 13 127.2700 0.2 . 1 . . . A 61 TRP CD1 . 19231 1 789 . 1 1 61 61 TRP CE3 C 13 121.0000 0.2 . 1 . . . A 61 TRP CE3 . 19231 1 790 . 1 1 61 61 TRP CZ2 C 13 114.7200 0.2 . 1 . . . A 61 TRP CZ2 . 19231 1 791 . 1 1 61 61 TRP CZ3 C 13 121.7800 0.2 . 1 . . . A 61 TRP CZ3 . 19231 1 792 . 1 1 61 61 TRP CH2 C 13 124.5900 0.2 . 1 . . . A 61 TRP CH2 . 19231 1 793 . 1 1 61 61 TRP N N 15 122.1700 0.2 . 1 . . . A 61 TRP N . 19231 1 794 . 1 1 61 61 TRP NE1 N 15 129.3030 0.2 . 1 . . . A 61 TRP NE1 . 19231 1 795 . 1 1 62 62 ASP H H 1 7.9000 0.02 . 1 . . . A 62 ASP H . 19231 1 796 . 1 1 62 62 ASP HA H 1 4.4400 0.02 . 1 . . . A 62 ASP HA . 19231 1 797 . 1 1 62 62 ASP HB2 H 1 2.5200 0.02 . 2 . . . A 62 ASP HB2 . 19231 1 798 . 1 1 62 62 ASP HB3 H 1 2.2900 0.02 . 2 . . . A 62 ASP HB3 . 19231 1 799 . 1 1 62 62 ASP C C 13 175.5590 0.2 . 1 . . . A 62 ASP C . 19231 1 800 . 1 1 62 62 ASP CA C 13 53.8110 0.2 . 1 . . . A 62 ASP CA . 19231 1 801 . 1 1 62 62 ASP CB C 13 40.7160 0.2 . 1 . . . A 62 ASP CB . 19231 1 802 . 1 1 62 62 ASP N N 15 119.1180 0.2 . 1 . . . A 62 ASP N . 19231 1 803 . 1 1 63 63 ASN H H 1 8.0800 0.02 . 1 . . . A 63 ASN H . 19231 1 804 . 1 1 63 63 ASN HA H 1 4.5460 0.02 . 1 . . . A 63 ASN HA . 19231 1 805 . 1 1 63 63 ASN HB2 H 1 2.8100 0.02 . 2 . . . A 63 ASN HB2 . 19231 1 806 . 1 1 63 63 ASN HB3 H 1 2.7300 0.02 . 2 . . . A 63 ASN HB3 . 19231 1 807 . 1 1 63 63 ASN HD21 H 1 6.8980 0.02 . 2 . . . A 63 ASN HD21 . 19231 1 808 . 1 1 63 63 ASN HD22 H 1 7.5460 0.02 . 2 . . . A 63 ASN HD22 . 19231 1 809 . 1 1 63 63 ASN C C 13 174.7370 0.2 . 1 . . . A 63 ASN C . 19231 1 810 . 1 1 63 63 ASN CA C 13 53.1580 0.2 . 1 . . . A 63 ASN CA . 19231 1 811 . 1 1 63 63 ASN CB C 13 38.7430 0.2 . 1 . . . A 63 ASN CB . 19231 1 812 . 1 1 63 63 ASN N N 15 117.5860 0.2 . 1 . . . A 63 ASN N . 19231 1 813 . 1 1 63 63 ASN ND2 N 15 112.4020 0.2 . 1 . . . A 63 ASN ND2 . 19231 1 814 . 1 1 64 64 GLU H H 1 8.2240 0.02 . 1 . . . A 64 GLU H . 19231 1 815 . 1 1 64 64 GLU HA H 1 4.5800 0.02 . 1 . . . A 64 GLU HA . 19231 1 816 . 1 1 64 64 GLU HB2 H 1 2.0700 0.02 . 2 . . . A 64 GLU HB2 . 19231 1 817 . 1 1 64 64 GLU HB3 H 1 1.9500 0.02 . 2 . . . A 64 GLU HB3 . 19231 1 818 . 1 1 64 64 GLU HG2 H 1 2.3900 0.02 . 2 . . . A 64 GLU HG2 . 19231 1 819 . 1 1 64 64 GLU HG3 H 1 2.3900 0.02 . 2 . . . A 64 GLU HG3 . 19231 1 820 . 1 1 64 64 GLU C C 13 174.7060 0.2 . 1 . . . A 64 GLU C . 19231 1 821 . 1 1 64 64 GLU CA C 13 54.7600 0.2 . 1 . . . A 64 GLU CA . 19231 1 822 . 1 1 64 64 GLU CB C 13 29.8290 0.2 . 1 . . . A 64 GLU CB . 19231 1 823 . 1 1 64 64 GLU CG C 13 33.8200 0.2 . 1 . . . A 64 GLU CG . 19231 1 824 . 1 1 64 64 GLU N N 15 121.8310 0.2 . 1 . . . A 64 GLU N . 19231 1 825 . 1 1 65 65 PRO HA H 1 4.3940 0.02 . 1 . . . A 65 PRO HA . 19231 1 826 . 1 1 65 65 PRO HB2 H 1 2.2820 0.02 . 2 . . . A 65 PRO HB2 . 19231 1 827 . 1 1 65 65 PRO HB3 H 1 1.9560 0.02 . 2 . . . A 65 PRO HB3 . 19231 1 828 . 1 1 65 65 PRO HG2 H 1 2.0700 0.02 . 2 . . . A 65 PRO HG2 . 19231 1 829 . 1 1 65 65 PRO HG3 H 1 2.0700 0.02 . 2 . . . A 65 PRO HG3 . 19231 1 830 . 1 1 65 65 PRO HD2 H 1 3.8300 0.02 . 2 . . . A 65 PRO HD2 . 19231 1 831 . 1 1 65 65 PRO HD3 H 1 3.7400 0.02 . 2 . . . A 65 PRO HD3 . 19231 1 832 . 1 1 65 65 PRO C C 13 177.3120 0.2 . 1 . . . A 65 PRO C . 19231 1 833 . 1 1 65 65 PRO CA C 13 63.8240 0.2 . 1 . . . A 65 PRO CA . 19231 1 834 . 1 1 65 65 PRO CB C 13 31.8710 0.2 . 1 . . . A 65 PRO CB . 19231 1 835 . 1 1 65 65 PRO CG C 13 27.4040 0.2 . 1 . . . A 65 PRO CG . 19231 1 836 . 1 1 65 65 PRO CD C 13 51.2000 0.2 . 1 . . . A 65 PRO CD . 19231 1 837 . 1 1 66 66 ALA H H 1 8.4650 0.02 . 1 . . . A 66 ALA H . 19231 1 838 . 1 1 66 66 ALA HA H 1 4.3500 0.02 . 1 . . . A 66 ALA HA . 19231 1 839 . 1 1 66 66 ALA HB1 H 1 1.4200 0.02 . 1 . . . A 66 ALA HB1 . 19231 1 840 . 1 1 66 66 ALA HB2 H 1 1.4200 0.02 . 1 . . . A 66 ALA HB2 . 19231 1 841 . 1 1 66 66 ALA HB3 H 1 1.4200 0.02 . 1 . . . A 66 ALA HB3 . 19231 1 842 . 1 1 66 66 ALA C C 13 178.3520 0.2 . 1 . . . A 66 ALA C . 19231 1 843 . 1 1 66 66 ALA CA C 13 52.8480 0.2 . 1 . . . A 66 ALA CA . 19231 1 844 . 1 1 66 66 ALA CB C 13 19.0860 0.2 . 1 . . . A 66 ALA CB . 19231 1 845 . 1 1 66 66 ALA N N 15 122.7550 0.2 . 1 . . . A 66 ALA N . 19231 1 846 . 1 1 67 67 THR H H 1 8.0020 0.02 . 1 . . . A 67 THR H . 19231 1 847 . 1 1 67 67 THR HA H 1 4.2870 0.02 . 1 . . . A 67 THR HA . 19231 1 848 . 1 1 67 67 THR HB H 1 4.2870 0.02 . 1 . . . A 67 THR HB . 19231 1 849 . 1 1 67 67 THR HG21 H 1 1.2200 0.02 . 1 . . . A 67 THR HG21 . 19231 1 850 . 1 1 67 67 THR HG22 H 1 1.2200 0.02 . 1 . . . A 67 THR HG22 . 19231 1 851 . 1 1 67 67 THR HG23 H 1 1.2200 0.02 . 1 . . . A 67 THR HG23 . 19231 1 852 . 1 1 67 67 THR C C 13 175.0400 0.2 . 1 . . . A 67 THR C . 19231 1 853 . 1 1 67 67 THR CA C 13 62.5050 0.2 . 1 . . . A 67 THR CA . 19231 1 854 . 1 1 67 67 THR CB C 13 69.1870 0.2 . 1 . . . A 67 THR CB . 19231 1 855 . 1 1 67 67 THR CG2 C 13 21.7210 0.2 . 1 . . . A 67 THR CG2 . 19231 1 856 . 1 1 67 67 THR N N 15 111.0790 0.2 . 1 . . . A 67 THR N . 19231 1 857 . 1 1 68 68 ASN H H 1 8.2800 0.02 . 1 . . . A 68 ASN H . 19231 1 858 . 1 1 68 68 ASN HA H 1 4.9790 0.02 . 1 . . . A 68 ASN HA . 19231 1 859 . 1 1 68 68 ASN HB2 H 1 2.8400 0.02 . 2 . . . A 68 ASN HB2 . 19231 1 860 . 1 1 68 68 ASN HB3 H 1 2.7600 0.02 . 2 . . . A 68 ASN HB3 . 19231 1 861 . 1 1 68 68 ASN HD21 H 1 6.9180 0.02 . 2 . . . A 68 ASN HD21 . 19231 1 862 . 1 1 68 68 ASN HD22 H 1 7.5700 0.02 . 2 . . . A 68 ASN HD22 . 19231 1 863 . 1 1 68 68 ASN C C 13 175.2500 0.2 . 1 . . . A 68 ASN C . 19231 1 864 . 1 1 68 68 ASN CA C 13 53.0360 0.2 . 1 . . . A 68 ASN CA . 19231 1 865 . 1 1 68 68 ASN CB C 13 38.6780 0.2 . 1 . . . A 68 ASN CB . 19231 1 866 . 1 1 68 68 ASN N N 15 120.7680 0.2 . 1 . . . A 68 ASN N . 19231 1 867 . 1 1 68 68 ASN ND2 N 15 112.6440 0.2 . 1 . . . A 68 ASN ND2 . 19231 1 868 . 1 1 69 69 THR H H 1 7.6910 0.02 . 1 . . . A 69 THR H . 19231 1 869 . 1 1 69 69 THR HA H 1 4.4800 0.02 . 1 . . . A 69 THR HA . 19231 1 870 . 1 1 69 69 THR HB H 1 4.3900 0.02 . 1 . . . A 69 THR HB . 19231 1 871 . 1 1 69 69 THR HG21 H 1 1.3500 0.02 . 1 . . . A 69 THR HG21 . 19231 1 872 . 1 1 69 69 THR HG22 H 1 1.3500 0.02 . 1 . . . A 69 THR HG22 . 19231 1 873 . 1 1 69 69 THR HG23 H 1 1.3500 0.02 . 1 . . . A 69 THR HG23 . 19231 1 874 . 1 1 69 69 THR C C 13 175.8300 0.2 . 1 . . . A 69 THR C . 19231 1 875 . 1 1 69 69 THR CA C 13 62.3280 0.2 . 1 . . . A 69 THR CA . 19231 1 876 . 1 1 69 69 THR CB C 13 69.9270 0.2 . 1 . . . A 69 THR CB . 19231 1 877 . 1 1 69 69 THR CG2 C 13 21.7500 0.2 . 1 . . . A 69 THR CG2 . 19231 1 878 . 1 1 69 69 THR N N 15 112.2880 0.2 . 1 . . . A 69 THR N . 19231 1 879 . 1 1 70 70 LEU H H 1 8.8430 0.02 . 1 . . . A 70 LEU H . 19231 1 880 . 1 1 70 70 LEU HA H 1 4.0800 0.02 . 1 . . . A 70 LEU HA . 19231 1 881 . 1 1 70 70 LEU HB2 H 1 1.9380 0.02 . 2 . . . A 70 LEU HB2 . 19231 1 882 . 1 1 70 70 LEU HB3 H 1 1.9380 0.02 . 2 . . . A 70 LEU HB3 . 19231 1 883 . 1 1 70 70 LEU HG H 1 1.4800 0.02 . 1 . . . A 70 LEU HG . 19231 1 884 . 1 1 70 70 LEU HD11 H 1 0.8900 0.02 . 2 . . . A 70 LEU HD11 . 19231 1 885 . 1 1 70 70 LEU HD12 H 1 0.8900 0.02 . 2 . . . A 70 LEU HD12 . 19231 1 886 . 1 1 70 70 LEU HD13 H 1 0.8900 0.02 . 2 . . . A 70 LEU HD13 . 19231 1 887 . 1 1 70 70 LEU HD21 H 1 1.1000 0.02 . 2 . . . A 70 LEU HD21 . 19231 1 888 . 1 1 70 70 LEU HD22 H 1 1.1000 0.02 . 2 . . . A 70 LEU HD22 . 19231 1 889 . 1 1 70 70 LEU HD23 H 1 1.1000 0.02 . 2 . . . A 70 LEU HD23 . 19231 1 890 . 1 1 70 70 LEU C C 13 177.4570 0.2 . 1 . . . A 70 LEU C . 19231 1 891 . 1 1 70 70 LEU CA C 13 58.6080 0.2 . 1 . . . A 70 LEU CA . 19231 1 892 . 1 1 70 70 LEU CB C 13 41.4940 0.2 . 1 . . . A 70 LEU CB . 19231 1 893 . 1 1 70 70 LEU CG C 13 27.2210 0.2 . 1 . . . A 70 LEU CG . 19231 1 894 . 1 1 70 70 LEU CD1 C 13 25.3040 0.2 . 2 . . . A 70 LEU CD1 . 19231 1 895 . 1 1 70 70 LEU CD2 C 13 26.8600 0.2 . 2 . . . A 70 LEU CD2 . 19231 1 896 . 1 1 70 70 LEU N N 15 123.3840 0.2 . 1 . . . A 70 LEU N . 19231 1 897 . 1 1 71 71 GLU H H 1 8.6520 0.02 . 1 . . . A 71 GLU H . 19231 1 898 . 1 1 71 71 GLU HA H 1 3.7050 0.02 . 1 . . . A 71 GLU HA . 19231 1 899 . 1 1 71 71 GLU HB2 H 1 2.1700 0.02 . 2 . . . A 71 GLU HB2 . 19231 1 900 . 1 1 71 71 GLU HB3 H 1 1.9690 0.02 . 2 . . . A 71 GLU HB3 . 19231 1 901 . 1 1 71 71 GLU HG2 H 1 2.6100 0.02 . 2 . . . A 71 GLU HG2 . 19231 1 902 . 1 1 71 71 GLU HG3 H 1 2.3800 0.02 . 2 . . . A 71 GLU HG3 . 19231 1 903 . 1 1 71 71 GLU C C 13 179.3050 0.2 . 1 . . . A 71 GLU C . 19231 1 904 . 1 1 71 71 GLU CA C 13 61.1710 0.2 . 1 . . . A 71 GLU CA . 19231 1 905 . 1 1 71 71 GLU CB C 13 28.8280 0.2 . 1 . . . A 71 GLU CB . 19231 1 906 . 1 1 71 71 GLU CG C 13 38.2060 0.2 . 1 . . . A 71 GLU CG . 19231 1 907 . 1 1 71 71 GLU N N 15 116.8780 0.2 . 1 . . . A 71 GLU N . 19231 1 908 . 1 1 72 72 VAL H H 1 7.5590 0.02 . 1 . . . A 72 VAL H . 19231 1 909 . 1 1 72 72 VAL HA H 1 3.6850 0.02 . 1 . . . A 72 VAL HA . 19231 1 910 . 1 1 72 72 VAL HB H 1 1.9470 0.02 . 1 . . . A 72 VAL HB . 19231 1 911 . 1 1 72 72 VAL HG11 H 1 0.9700 0.02 . 2 . . . A 72 VAL HG11 . 19231 1 912 . 1 1 72 72 VAL HG12 H 1 0.9700 0.02 . 2 . . . A 72 VAL HG12 . 19231 1 913 . 1 1 72 72 VAL HG13 H 1 0.9700 0.02 . 2 . . . A 72 VAL HG13 . 19231 1 914 . 1 1 72 72 VAL HG21 H 1 0.7100 0.02 . 2 . . . A 72 VAL HG21 . 19231 1 915 . 1 1 72 72 VAL HG22 H 1 0.7100 0.02 . 2 . . . A 72 VAL HG22 . 19231 1 916 . 1 1 72 72 VAL HG23 H 1 0.7100 0.02 . 2 . . . A 72 VAL HG23 . 19231 1 917 . 1 1 72 72 VAL C C 13 177.6800 0.2 . 1 . . . A 72 VAL C . 19231 1 918 . 1 1 72 72 VAL CA C 13 66.1110 0.2 . 1 . . . A 72 VAL CA . 19231 1 919 . 1 1 72 72 VAL CB C 13 31.4670 0.2 . 1 . . . A 72 VAL CB . 19231 1 920 . 1 1 72 72 VAL CG1 C 13 22.6410 0.2 . 2 . . . A 72 VAL CG1 . 19231 1 921 . 1 1 72 72 VAL CG2 C 13 20.3300 0.2 . 2 . . . A 72 VAL CG2 . 19231 1 922 . 1 1 72 72 VAL N N 15 121.4190 0.2 . 1 . . . A 72 VAL N . 19231 1 923 . 1 1 73 73 HIS H H 1 7.4200 0.02 . 1 . . . A 73 HIS H . 19231 1 924 . 1 1 73 73 HIS HA H 1 4.4600 0.02 . 1 . . . A 73 HIS HA . 19231 1 925 . 1 1 73 73 HIS HB2 H 1 2.9730 0.02 . 2 . . . A 73 HIS HB2 . 19231 1 926 . 1 1 73 73 HIS HB3 H 1 2.7500 0.02 . 2 . . . A 73 HIS HB3 . 19231 1 927 . 1 1 73 73 HIS HD2 H 1 6.7500 0.02 . 1 . . . A 73 HIS HD2 . 19231 1 928 . 1 1 73 73 HIS HE1 H 1 7.7900 0.02 . 1 . . . A 73 HIS HE1 . 19231 1 929 . 1 1 73 73 HIS C C 13 178.6160 0.2 . 1 . . . A 73 HIS C . 19231 1 930 . 1 1 73 73 HIS CA C 13 60.2060 0.2 . 1 . . . A 73 HIS CA . 19231 1 931 . 1 1 73 73 HIS CB C 13 31.2690 0.2 . 1 . . . A 73 HIS CB . 19231 1 932 . 1 1 73 73 HIS CD2 C 13 120.6400 0.2 . 1 . . . A 73 HIS CD2 . 19231 1 933 . 1 1 73 73 HIS CE1 C 13 139.5700 0.2 . 1 . . . A 73 HIS CE1 . 19231 1 934 . 1 1 73 73 HIS N N 15 118.2720 0.2 . 1 . . . A 73 HIS N . 19231 1 935 . 1 1 74 74 ILE H H 1 8.5150 0.02 . 1 . . . A 74 ILE H . 19231 1 936 . 1 1 74 74 ILE HA H 1 3.5700 0.02 . 1 . . . A 74 ILE HA . 19231 1 937 . 1 1 74 74 ILE HB H 1 1.9000 0.02 . 1 . . . A 74 ILE HB . 19231 1 938 . 1 1 74 74 ILE HG12 H 1 1.3000 0.02 . 2 . . . A 74 ILE HG12 . 19231 1 939 . 1 1 74 74 ILE HG13 H 1 0.2000 0.02 . 2 . . . A 74 ILE HG13 . 19231 1 940 . 1 1 74 74 ILE HG21 H 1 0.4800 0.02 . 1 . . . A 74 ILE HG21 . 19231 1 941 . 1 1 74 74 ILE HG22 H 1 0.4800 0.02 . 1 . . . A 74 ILE HG22 . 19231 1 942 . 1 1 74 74 ILE HG23 H 1 0.4800 0.02 . 1 . . . A 74 ILE HG23 . 19231 1 943 . 1 1 74 74 ILE HD11 H 1 0.1000 0.02 . 1 . . . A 74 ILE HD11 . 19231 1 944 . 1 1 74 74 ILE HD12 H 1 0.1000 0.02 . 1 . . . A 74 ILE HD12 . 19231 1 945 . 1 1 74 74 ILE HD13 H 1 0.1000 0.02 . 1 . . . A 74 ILE HD13 . 19231 1 946 . 1 1 74 74 ILE C C 13 177.8190 0.2 . 1 . . . A 74 ILE C . 19231 1 947 . 1 1 74 74 ILE CA C 13 61.9430 0.2 . 1 . . . A 74 ILE CA . 19231 1 948 . 1 1 74 74 ILE CB C 13 34.2750 0.2 . 1 . . . A 74 ILE CB . 19231 1 949 . 1 1 74 74 ILE CG1 C 13 25.4500 0.2 . 1 . . . A 74 ILE CG1 . 19231 1 950 . 1 1 74 74 ILE CG2 C 13 16.2200 0.2 . 1 . . . A 74 ILE CG2 . 19231 1 951 . 1 1 74 74 ILE CD1 C 13 8.4500 0.2 . 1 . . . A 74 ILE CD1 . 19231 1 952 . 1 1 74 74 ILE N N 15 118.9400 0.2 . 1 . . . A 74 ILE N . 19231 1 953 . 1 1 75 75 HIS H H 1 8.1890 0.02 . 1 . . . A 75 HIS H . 19231 1 954 . 1 1 75 75 HIS HA H 1 4.2700 0.02 . 1 . . . A 75 HIS HA . 19231 1 955 . 1 1 75 75 HIS HB2 H 1 3.5400 0.02 . 2 . . . A 75 HIS HB2 . 19231 1 956 . 1 1 75 75 HIS HB3 H 1 3.3170 0.02 . 2 . . . A 75 HIS HB3 . 19231 1 957 . 1 1 75 75 HIS HD2 H 1 7.0000 0.02 . 1 . . . A 75 HIS HD2 . 19231 1 958 . 1 1 75 75 HIS HE1 H 1 7.7000 0.02 . 1 . . . A 75 HIS HE1 . 19231 1 959 . 1 1 75 75 HIS C C 13 177.4450 0.2 . 1 . . . A 75 HIS C . 19231 1 960 . 1 1 75 75 HIS CA C 13 60.1160 0.2 . 1 . . . A 75 HIS CA . 19231 1 961 . 1 1 75 75 HIS CB C 13 28.8120 0.2 . 1 . . . A 75 HIS CB . 19231 1 962 . 1 1 75 75 HIS CD2 C 13 120.1900 0.2 . 1 . . . A 75 HIS CD2 . 19231 1 963 . 1 1 75 75 HIS CE1 C 13 137.9100 0.2 . 1 . . . A 75 HIS CE1 . 19231 1 964 . 1 1 75 75 HIS N N 15 120.4840 0.2 . 1 . . . A 75 HIS N . 19231 1 965 . 1 1 76 76 ASN H H 1 8.4560 0.02 . 1 . . . A 76 ASN H . 19231 1 966 . 1 1 76 76 ASN HA H 1 4.3890 0.02 . 1 . . . A 76 ASN HA . 19231 1 967 . 1 1 76 76 ASN HB2 H 1 3.1300 0.02 . 2 . . . A 76 ASN HB2 . 19231 1 968 . 1 1 76 76 ASN HB3 H 1 2.8760 0.02 . 2 . . . A 76 ASN HB3 . 19231 1 969 . 1 1 76 76 ASN HD21 H 1 6.8170 0.02 . 2 . . . A 76 ASN HD21 . 19231 1 970 . 1 1 76 76 ASN HD22 H 1 8.1940 0.02 . 2 . . . A 76 ASN HD22 . 19231 1 971 . 1 1 76 76 ASN C C 13 178.6150 0.2 . 1 . . . A 76 ASN C . 19231 1 972 . 1 1 76 76 ASN CA C 13 55.5050 0.2 . 1 . . . A 76 ASN CA . 19231 1 973 . 1 1 76 76 ASN CB C 13 37.3090 0.2 . 1 . . . A 76 ASN CB . 19231 1 974 . 1 1 76 76 ASN N N 15 119.0980 0.2 . 1 . . . A 76 ASN N . 19231 1 975 . 1 1 76 76 ASN ND2 N 15 111.9150 0.2 . 1 . . . A 76 ASN ND2 . 19231 1 976 . 1 1 77 77 LEU H H 1 8.5790 0.02 . 1 . . . A 77 LEU H . 19231 1 977 . 1 1 77 77 LEU HA H 1 3.9510 0.02 . 1 . . . A 77 LEU HA . 19231 1 978 . 1 1 77 77 LEU HB2 H 1 1.9090 0.02 . 2 . . . A 77 LEU HB2 . 19231 1 979 . 1 1 77 77 LEU HB3 H 1 1.3000 0.02 . 2 . . . A 77 LEU HB3 . 19231 1 980 . 1 1 77 77 LEU HG H 1 1.7600 0.02 . 1 . . . A 77 LEU HG . 19231 1 981 . 1 1 77 77 LEU HD11 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD11 . 19231 1 982 . 1 1 77 77 LEU HD12 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD12 . 19231 1 983 . 1 1 77 77 LEU HD13 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD13 . 19231 1 984 . 1 1 77 77 LEU HD21 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD21 . 19231 1 985 . 1 1 77 77 LEU HD22 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD22 . 19231 1 986 . 1 1 77 77 LEU HD23 H 1 0.8400 0.02 . 2 . . . A 77 LEU HD23 . 19231 1 987 . 1 1 77 77 LEU C C 13 178.9450 0.2 . 1 . . . A 77 LEU C . 19231 1 988 . 1 1 77 77 LEU CA C 13 57.9960 0.2 . 1 . . . A 77 LEU CA . 19231 1 989 . 1 1 77 77 LEU CB C 13 43.1060 0.2 . 1 . . . A 77 LEU CB . 19231 1 990 . 1 1 77 77 LEU CG C 13 27.3610 0.2 . 1 . . . A 77 LEU CG . 19231 1 991 . 1 1 77 77 LEU CD1 C 13 25.0900 0.2 . 2 . . . A 77 LEU CD1 . 19231 1 992 . 1 1 77 77 LEU CD2 C 13 25.0920 0.2 . 2 . . . A 77 LEU CD2 . 19231 1 993 . 1 1 77 77 LEU N N 15 120.5170 0.2 . 1 . . . A 77 LEU N . 19231 1 994 . 1 1 78 78 ARG H H 1 8.6870 0.02 . 1 . . . A 78 ARG H . 19231 1 995 . 1 1 78 78 ARG HA H 1 3.6600 0.02 . 1 . . . A 78 ARG HA . 19231 1 996 . 1 1 78 78 ARG HB2 H 1 1.7100 0.02 . 2 . . . A 78 ARG HB2 . 19231 1 997 . 1 1 78 78 ARG HB3 H 1 1.7100 0.02 . 2 . . . A 78 ARG HB3 . 19231 1 998 . 1 1 78 78 ARG HG2 H 1 1.6700 0.02 . 2 . . . A 78 ARG HG2 . 19231 1 999 . 1 1 78 78 ARG HG3 H 1 1.3000 0.02 . 2 . . . A 78 ARG HG3 . 19231 1 1000 . 1 1 78 78 ARG HD2 H 1 3.3200 0.02 . 2 . . . A 78 ARG HD2 . 19231 1 1001 . 1 1 78 78 ARG HD3 H 1 3.1300 0.02 . 2 . . . A 78 ARG HD3 . 19231 1 1002 . 1 1 78 78 ARG C C 13 178.7660 0.2 . 1 . . . A 78 ARG C . 19231 1 1003 . 1 1 78 78 ARG CA C 13 59.4350 0.2 . 1 . . . A 78 ARG CA . 19231 1 1004 . 1 1 78 78 ARG CB C 13 30.8340 0.2 . 1 . . . A 78 ARG CB . 19231 1 1005 . 1 1 78 78 ARG CG C 13 25.1340 0.2 . 1 . . . A 78 ARG CG . 19231 1 1006 . 1 1 78 78 ARG CD C 13 44.1070 0.2 . 1 . . . A 78 ARG CD . 19231 1 1007 . 1 1 78 78 ARG N N 15 119.5210 0.2 . 1 . . . A 78 ARG N . 19231 1 1008 . 1 1 79 79 GLU H H 1 7.7170 0.02 . 1 . . . A 79 GLU H . 19231 1 1009 . 1 1 79 79 GLU HA H 1 3.9290 0.02 . 1 . . . A 79 GLU HA . 19231 1 1010 . 1 1 79 79 GLU HB2 H 1 2.0890 0.02 . 2 . . . A 79 GLU HB2 . 19231 1 1011 . 1 1 79 79 GLU HB3 H 1 2.0890 0.02 . 2 . . . A 79 GLU HB3 . 19231 1 1012 . 1 1 79 79 GLU HG2 H 1 2.2200 0.02 . 2 . . . A 79 GLU HG2 . 19231 1 1013 . 1 1 79 79 GLU HG3 H 1 2.0400 0.02 . 2 . . . A 79 GLU HG3 . 19231 1 1014 . 1 1 79 79 GLU C C 13 178.2260 0.2 . 1 . . . A 79 GLU C . 19231 1 1015 . 1 1 79 79 GLU CA C 13 58.6660 0.2 . 1 . . . A 79 GLU CA . 19231 1 1016 . 1 1 79 79 GLU CB C 13 29.5510 0.2 . 1 . . . A 79 GLU CB . 19231 1 1017 . 1 1 79 79 GLU CG C 13 36.1940 0.2 . 1 . . . A 79 GLU CG . 19231 1 1018 . 1 1 79 79 GLU N N 15 116.8820 0.2 . 1 . . . A 79 GLU N . 19231 1 1019 . 1 1 80 80 LYS H H 1 7.4190 0.02 . 1 . . . A 80 LYS H . 19231 1 1020 . 1 1 80 80 LYS HA H 1 4.2520 0.02 . 1 . . . A 80 LYS HA . 19231 1 1021 . 1 1 80 80 LYS HB2 H 1 1.8800 0.02 . 2 . . . A 80 LYS HB2 . 19231 1 1022 . 1 1 80 80 LYS HB3 H 1 1.7600 0.02 . 2 . . . A 80 LYS HB3 . 19231 1 1023 . 1 1 80 80 LYS HG2 H 1 1.4200 0.02 . 2 . . . A 80 LYS HG2 . 19231 1 1024 . 1 1 80 80 LYS HG3 H 1 1.4200 0.02 . 2 . . . A 80 LYS HG3 . 19231 1 1025 . 1 1 80 80 LYS HD2 H 1 1.8500 0.02 . 2 . . . A 80 LYS HD2 . 19231 1 1026 . 1 1 80 80 LYS HD3 H 1 1.8500 0.02 . 2 . . . A 80 LYS HD3 . 19231 1 1027 . 1 1 80 80 LYS HE2 H 1 3.0200 0.02 . 2 . . . A 80 LYS HE2 . 19231 1 1028 . 1 1 80 80 LYS HE3 H 1 3.0200 0.02 . 2 . . . A 80 LYS HE3 . 19231 1 1029 . 1 1 80 80 LYS C C 13 178.4130 0.2 . 1 . . . A 80 LYS C . 19231 1 1030 . 1 1 80 80 LYS CA C 13 59.0610 0.2 . 1 . . . A 80 LYS CA . 19231 1 1031 . 1 1 80 80 LYS CB C 13 34.4380 0.2 . 1 . . . A 80 LYS CB . 19231 1 1032 . 1 1 80 80 LYS CG C 13 26.5950 0.2 . 1 . . . A 80 LYS CG . 19231 1 1033 . 1 1 80 80 LYS CD C 13 30.5260 0.2 . 1 . . . A 80 LYS CD . 19231 1 1034 . 1 1 80 80 LYS CE C 13 42.3000 0.2 . 1 . . . A 80 LYS CE . 19231 1 1035 . 1 1 80 80 LYS N N 15 116.5740 0.2 . 1 . . . A 80 LYS N . 19231 1 1036 . 1 1 81 81 ILE H H 1 8.1620 0.02 . 1 . . . A 81 ILE H . 19231 1 1037 . 1 1 81 81 ILE HA H 1 4.6840 0.02 . 1 . . . A 81 ILE HA . 19231 1 1038 . 1 1 81 81 ILE HB H 1 2.1420 0.02 . 1 . . . A 81 ILE HB . 19231 1 1039 . 1 1 81 81 ILE HG12 H 1 1.4800 0.02 . 2 . . . A 81 ILE HG12 . 19231 1 1040 . 1 1 81 81 ILE HG13 H 1 1.2700 0.02 . 2 . . . A 81 ILE HG13 . 19231 1 1041 . 1 1 81 81 ILE HG21 H 1 0.8300 0.02 . 1 . . . A 81 ILE HG21 . 19231 1 1042 . 1 1 81 81 ILE HG22 H 1 0.8300 0.02 . 1 . . . A 81 ILE HG22 . 19231 1 1043 . 1 1 81 81 ILE HG23 H 1 0.8300 0.02 . 1 . . . A 81 ILE HG23 . 19231 1 1044 . 1 1 81 81 ILE HD11 H 1 0.6900 0.02 . 1 . . . A 81 ILE HD11 . 19231 1 1045 . 1 1 81 81 ILE HD12 H 1 0.6900 0.02 . 1 . . . A 81 ILE HD12 . 19231 1 1046 . 1 1 81 81 ILE HD13 H 1 0.6900 0.02 . 1 . . . A 81 ILE HD13 . 19231 1 1047 . 1 1 81 81 ILE C C 13 174.9860 0.2 . 1 . . . A 81 ILE C . 19231 1 1048 . 1 1 81 81 ILE CA C 13 61.1460 0.2 . 1 . . . A 81 ILE CA . 19231 1 1049 . 1 1 81 81 ILE CB C 13 39.2120 0.2 . 1 . . . A 81 ILE CB . 19231 1 1050 . 1 1 81 81 ILE CG1 C 13 24.4870 0.2 . 1 . . . A 81 ILE CG1 . 19231 1 1051 . 1 1 81 81 ILE CG2 C 13 17.6660 0.2 . 1 . . . A 81 ILE CG2 . 19231 1 1052 . 1 1 81 81 ILE CD1 C 13 14.6550 0.2 . 1 . . . A 81 ILE CD1 . 19231 1 1053 . 1 1 81 81 ILE N N 15 108.3930 0.2 . 1 . . . A 81 ILE N . 19231 1 1054 . 1 1 82 82 GLY H H 1 7.8520 0.02 . 1 . . . A 82 GLY H . 19231 1 1055 . 1 1 82 82 GLY HA2 H 1 4.6260 0.02 . 2 . . . A 82 GLY HA2 . 19231 1 1056 . 1 1 82 82 GLY HA3 H 1 3.6670 0.02 . 2 . . . A 82 GLY HA3 . 19231 1 1057 . 1 1 82 82 GLY C C 13 175.4190 0.2 . 1 . . . A 82 GLY C . 19231 1 1058 . 1 1 82 82 GLY CA C 13 44.8560 0.2 . 1 . . . A 82 GLY CA . 19231 1 1059 . 1 1 82 82 GLY N N 15 113.6360 0.2 . 1 . . . A 82 GLY N . 19231 1 1060 . 1 1 83 83 LYS H H 1 8.5110 0.02 . 1 . . . A 83 LYS H . 19231 1 1061 . 1 1 83 83 LYS HA H 1 3.7300 0.02 . 1 . . . A 83 LYS HA . 19231 1 1062 . 1 1 83 83 LYS HB2 H 1 1.8690 0.02 . 2 . . . A 83 LYS HB2 . 19231 1 1063 . 1 1 83 83 LYS HB3 H 1 1.8690 0.02 . 2 . . . A 83 LYS HB3 . 19231 1 1064 . 1 1 83 83 LYS HG2 H 1 1.4600 0.02 . 2 . . . A 83 LYS HG2 . 19231 1 1065 . 1 1 83 83 LYS HG3 H 1 1.4600 0.02 . 2 . . . A 83 LYS HG3 . 19231 1 1066 . 1 1 83 83 LYS HD2 H 1 1.7200 0.02 . 2 . . . A 83 LYS HD2 . 19231 1 1067 . 1 1 83 83 LYS HD3 H 1 1.5200 0.02 . 2 . . . A 83 LYS HD3 . 19231 1 1068 . 1 1 83 83 LYS HE2 H 1 3.0400 0.02 . 2 . . . A 83 LYS HE2 . 19231 1 1069 . 1 1 83 83 LYS HE3 H 1 3.0400 0.02 . 2 . . . A 83 LYS HE3 . 19231 1 1070 . 1 1 83 83 LYS C C 13 178.1770 0.2 . 1 . . . A 83 LYS C . 19231 1 1071 . 1 1 83 83 LYS CA C 13 59.9220 0.2 . 1 . . . A 83 LYS CA . 19231 1 1072 . 1 1 83 83 LYS CB C 13 32.3660 0.2 . 1 . . . A 83 LYS CB . 19231 1 1073 . 1 1 83 83 LYS CG C 13 24.9500 0.2 . 1 . . . A 83 LYS CG . 19231 1 1074 . 1 1 83 83 LYS CD C 13 29.6140 0.2 . 1 . . . A 83 LYS CD . 19231 1 1075 . 1 1 83 83 LYS CE C 13 41.9540 0.2 . 1 . . . A 83 LYS CE . 19231 1 1076 . 1 1 83 83 LYS N N 15 125.7320 0.2 . 1 . . . A 83 LYS N . 19231 1 1077 . 1 1 84 84 SER H H 1 8.4380 0.02 . 1 . . . A 84 SER H . 19231 1 1078 . 1 1 84 84 SER HA H 1 4.3460 0.02 . 1 . . . A 84 SER HA . 19231 1 1079 . 1 1 84 84 SER HB2 H 1 4.0000 0.02 . 2 . . . A 84 SER HB2 . 19231 1 1080 . 1 1 84 84 SER HB3 H 1 3.9300 0.02 . 2 . . . A 84 SER HB3 . 19231 1 1081 . 1 1 84 84 SER C C 13 175.0080 0.2 . 1 . . . A 84 SER C . 19231 1 1082 . 1 1 84 84 SER CA C 13 58.9350 0.2 . 1 . . . A 84 SER CA . 19231 1 1083 . 1 1 84 84 SER CB C 13 63.1400 0.2 . 1 . . . A 84 SER CB . 19231 1 1084 . 1 1 84 84 SER N N 15 110.8520 0.2 . 1 . . . A 84 SER N . 19231 1 1085 . 1 1 85 85 ARG H H 1 7.6560 0.02 . 1 . . . A 85 ARG H . 19231 1 1086 . 1 1 85 85 ARG HA H 1 4.2300 0.02 . 1 . . . A 85 ARG HA . 19231 1 1087 . 1 1 85 85 ARG HB2 H 1 1.8560 0.02 . 2 . . . A 85 ARG HB2 . 19231 1 1088 . 1 1 85 85 ARG HB3 H 1 1.8560 0.02 . 2 . . . A 85 ARG HB3 . 19231 1 1089 . 1 1 85 85 ARG HG2 H 1 1.6700 0.02 . 2 . . . A 85 ARG HG2 . 19231 1 1090 . 1 1 85 85 ARG HG3 H 1 1.5000 0.02 . 2 . . . A 85 ARG HG3 . 19231 1 1091 . 1 1 85 85 ARG HD2 H 1 3.3200 0.02 . 2 . . . A 85 ARG HD2 . 19231 1 1092 . 1 1 85 85 ARG HD3 H 1 3.1900 0.02 . 2 . . . A 85 ARG HD3 . 19231 1 1093 . 1 1 85 85 ARG C C 13 176.2080 0.2 . 1 . . . A 85 ARG C . 19231 1 1094 . 1 1 85 85 ARG CA C 13 57.1560 0.2 . 1 . . . A 85 ARG CA . 19231 1 1095 . 1 1 85 85 ARG CB C 13 30.3880 0.2 . 1 . . . A 85 ARG CB . 19231 1 1096 . 1 1 85 85 ARG CG C 13 27.6200 0.2 . 1 . . . A 85 ARG CG . 19231 1 1097 . 1 1 85 85 ARG CD C 13 42.7300 0.2 . 1 . . . A 85 ARG CD . 19231 1 1098 . 1 1 85 85 ARG N N 15 118.5610 0.2 . 1 . . . A 85 ARG N . 19231 1 1099 . 1 1 86 86 ILE H H 1 6.8800 0.02 . 1 . . . A 86 ILE H . 19231 1 1100 . 1 1 86 86 ILE HA H 1 4.8950 0.02 . 1 . . . A 86 ILE HA . 19231 1 1101 . 1 1 86 86 ILE HB H 1 1.5390 0.02 . 1 . . . A 86 ILE HB . 19231 1 1102 . 1 1 86 86 ILE HG12 H 1 1.6000 0.02 . 2 . . . A 86 ILE HG12 . 19231 1 1103 . 1 1 86 86 ILE HG13 H 1 1.6000 0.02 . 2 . . . A 86 ILE HG13 . 19231 1 1104 . 1 1 86 86 ILE HG21 H 1 0.7800 0.02 . 1 . . . A 86 ILE HG21 . 19231 1 1105 . 1 1 86 86 ILE HG22 H 1 0.7800 0.02 . 1 . . . A 86 ILE HG22 . 19231 1 1106 . 1 1 86 86 ILE HG23 H 1 0.7800 0.02 . 1 . . . A 86 ILE HG23 . 19231 1 1107 . 1 1 86 86 ILE HD11 H 1 0.6800 0.02 . 1 . . . A 86 ILE HD11 . 19231 1 1108 . 1 1 86 86 ILE HD12 H 1 0.6800 0.02 . 1 . . . A 86 ILE HD12 . 19231 1 1109 . 1 1 86 86 ILE HD13 H 1 0.6800 0.02 . 1 . . . A 86 ILE HD13 . 19231 1 1110 . 1 1 86 86 ILE C C 13 175.5730 0.2 . 1 . . . A 86 ILE C . 19231 1 1111 . 1 1 86 86 ILE CA C 13 59.4610 0.2 . 1 . . . A 86 ILE CA . 19231 1 1112 . 1 1 86 86 ILE CB C 13 39.1880 0.2 . 1 . . . A 86 ILE CB . 19231 1 1113 . 1 1 86 86 ILE CG1 C 13 27.8740 0.2 . 1 . . . A 86 ILE CG1 . 19231 1 1114 . 1 1 86 86 ILE CG2 C 13 17.7530 0.2 . 1 . . . A 86 ILE CG2 . 19231 1 1115 . 1 1 86 86 ILE CD1 C 13 13.9950 0.2 . 1 . . . A 86 ILE CD1 . 19231 1 1116 . 1 1 86 86 ILE N N 15 113.2000 0.2 . 1 . . . A 86 ILE N . 19231 1 1117 . 1 1 87 87 ARG H H 1 9.7860 0.02 . 1 . . . A 87 ARG H . 19231 1 1118 . 1 1 87 87 ARG HA H 1 4.7970 0.02 . 1 . . . A 87 ARG HA . 19231 1 1119 . 1 1 87 87 ARG HB2 H 1 1.8990 0.02 . 2 . . . A 87 ARG HB2 . 19231 1 1120 . 1 1 87 87 ARG HB3 H 1 1.6930 0.02 . 2 . . . A 87 ARG HB3 . 19231 1 1121 . 1 1 87 87 ARG HG2 H 1 1.6400 0.02 . 2 . . . A 87 ARG HG2 . 19231 1 1122 . 1 1 87 87 ARG HG3 H 1 1.6400 0.02 . 2 . . . A 87 ARG HG3 . 19231 1 1123 . 1 1 87 87 ARG HD2 H 1 3.1900 0.02 . 2 . . . A 87 ARG HD2 . 19231 1 1124 . 1 1 87 87 ARG HD3 H 1 3.1900 0.02 . 2 . . . A 87 ARG HD3 . 19231 1 1125 . 1 1 87 87 ARG C C 13 176.5010 0.2 . 1 . . . A 87 ARG C . 19231 1 1126 . 1 1 87 87 ARG CA C 13 53.6640 0.2 . 1 . . . A 87 ARG CA . 19231 1 1127 . 1 1 87 87 ARG CB C 13 32.0110 0.2 . 1 . . . A 87 ARG CB . 19231 1 1128 . 1 1 87 87 ARG CG C 13 26.7390 0.2 . 1 . . . A 87 ARG CG . 19231 1 1129 . 1 1 87 87 ARG CD C 13 42.9310 0.2 . 1 . . . A 87 ARG CD . 19231 1 1130 . 1 1 87 87 ARG N N 15 128.7270 0.2 . 1 . . . A 87 ARG N . 19231 1 1131 . 1 1 88 88 THR H H 1 9.4210 0.02 . 1 . . . A 88 THR H . 19231 1 1132 . 1 1 88 88 THR HA H 1 4.1380 0.02 . 1 . . . A 88 THR HA . 19231 1 1133 . 1 1 88 88 THR HB H 1 4.1380 0.02 . 1 . . . A 88 THR HB . 19231 1 1134 . 1 1 88 88 THR HG21 H 1 1.0900 0.02 . 1 . . . A 88 THR HG21 . 19231 1 1135 . 1 1 88 88 THR HG22 H 1 1.0900 0.02 . 1 . . . A 88 THR HG22 . 19231 1 1136 . 1 1 88 88 THR HG23 H 1 1.0900 0.02 . 1 . . . A 88 THR HG23 . 19231 1 1137 . 1 1 88 88 THR C C 13 173.8020 0.2 . 1 . . . A 88 THR C . 19231 1 1138 . 1 1 88 88 THR CA C 13 63.5140 0.2 . 1 . . . A 88 THR CA . 19231 1 1139 . 1 1 88 88 THR CB C 13 68.9080 0.2 . 1 . . . A 88 THR CB . 19231 1 1140 . 1 1 88 88 THR CG2 C 13 22.5220 0.2 . 1 . . . A 88 THR CG2 . 19231 1 1141 . 1 1 88 88 THR N N 15 122.8210 0.2 . 1 . . . A 88 THR N . 19231 1 1142 . 1 1 89 89 VAL H H 1 8.4000 0.02 . 1 . . . A 89 VAL H . 19231 1 1143 . 1 1 89 89 VAL HA H 1 4.1800 0.02 . 1 . . . A 89 VAL HA . 19231 1 1144 . 1 1 89 89 VAL HB H 1 1.6400 0.02 . 1 . . . A 89 VAL HB . 19231 1 1145 . 1 1 89 89 VAL HG11 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG11 . 19231 1 1146 . 1 1 89 89 VAL HG12 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG12 . 19231 1 1147 . 1 1 89 89 VAL HG13 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG13 . 19231 1 1148 . 1 1 89 89 VAL HG21 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG21 . 19231 1 1149 . 1 1 89 89 VAL HG22 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG22 . 19231 1 1150 . 1 1 89 89 VAL HG23 H 1 0.7400 0.02 . 2 . . . A 89 VAL HG23 . 19231 1 1151 . 1 1 89 89 VAL CA C 13 61.3780 0.2 . 1 . . . A 89 VAL CA . 19231 1 1152 . 1 1 89 89 VAL CB C 13 30.8860 0.2 . 1 . . . A 89 VAL CB . 19231 1 1153 . 1 1 89 89 VAL CG1 C 13 20.0200 0.2 . 2 . . . A 89 VAL CG1 . 19231 1 1154 . 1 1 89 89 VAL CG2 C 13 20.0200 0.2 . 2 . . . A 89 VAL CG2 . 19231 1 1155 . 1 1 89 89 VAL N N 15 130.4000 0.2 . 1 . . . A 89 VAL N . 19231 1 1156 . 1 1 91 91 GLY HA2 H 1 4.1470 0.02 . 2 . . . A 91 GLY HA2 . 19231 1 1157 . 1 1 91 91 GLY HA3 H 1 3.7730 0.02 . 2 . . . A 91 GLY HA3 . 19231 1 1158 . 1 1 91 91 GLY C C 13 173.5300 0.2 . 1 . . . A 91 GLY C . 19231 1 1159 . 1 1 91 91 GLY CA C 13 45.5250 0.2 . 1 . . . A 91 GLY CA . 19231 1 1160 . 1 1 92 92 PHE H H 1 8.3320 0.02 . 1 . . . A 92 PHE H . 19231 1 1161 . 1 1 92 92 PHE HA H 1 4.4410 0.02 . 1 . . . A 92 PHE HA . 19231 1 1162 . 1 1 92 92 PHE HB2 H 1 2.8000 0.02 . 2 . . . A 92 PHE HB2 . 19231 1 1163 . 1 1 92 92 PHE HB3 H 1 2.6640 0.02 . 2 . . . A 92 PHE HB3 . 19231 1 1164 . 1 1 92 92 PHE HD1 H 1 7.0200 0.02 . 3 . . . A 92 PHE HD1 . 19231 1 1165 . 1 1 92 92 PHE HD2 H 1 7.0200 0.02 . 3 . . . A 92 PHE HD2 . 19231 1 1166 . 1 1 92 92 PHE HE1 H 1 7.2700 0.02 . 3 . . . A 92 PHE HE1 . 19231 1 1167 . 1 1 92 92 PHE HE2 H 1 7.2700 0.02 . 3 . . . A 92 PHE HE2 . 19231 1 1168 . 1 1 92 92 PHE HZ H 1 7.4400 0.02 . 1 . . . A 92 PHE HZ . 19231 1 1169 . 1 1 92 92 PHE C C 13 174.7440 0.2 . 1 . . . A 92 PHE C . 19231 1 1170 . 1 1 92 92 PHE CA C 13 60.0540 0.2 . 1 . . . A 92 PHE CA . 19231 1 1171 . 1 1 92 92 PHE CB C 13 43.4330 0.2 . 1 . . . A 92 PHE CB . 19231 1 1172 . 1 1 92 92 PHE CD1 C 13 131.5000 0.2 . 3 . . . A 92 PHE CD1 . 19231 1 1173 . 1 1 92 92 PHE CD2 C 13 131.5000 0.2 . 3 . . . A 92 PHE CD2 . 19231 1 1174 . 1 1 92 92 PHE CE1 C 13 131.4500 0.2 . 3 . . . A 92 PHE CE1 . 19231 1 1175 . 1 1 92 92 PHE CE2 C 13 131.4500 0.2 . 3 . . . A 92 PHE CE2 . 19231 1 1176 . 1 1 92 92 PHE CZ C 13 130.1700 0.2 . 1 . . . A 92 PHE CZ . 19231 1 1177 . 1 1 92 92 PHE N N 15 119.6010 0.2 . 1 . . . A 92 PHE N . 19231 1 1178 . 1 1 93 93 GLY H H 1 8.3770 0.02 . 1 . . . A 93 GLY H . 19231 1 1179 . 1 1 93 93 GLY HA2 H 1 4.7300 0.02 . 2 . . . A 93 GLY HA2 . 19231 1 1180 . 1 1 93 93 GLY HA3 H 1 3.4790 0.02 . 2 . . . A 93 GLY HA3 . 19231 1 1181 . 1 1 93 93 GLY C C 13 171.7760 0.2 . 1 . . . A 93 GLY C . 19231 1 1182 . 1 1 93 93 GLY CA C 13 46.7150 0.2 . 1 . . . A 93 GLY CA . 19231 1 1183 . 1 1 93 93 GLY N N 15 105.4450 0.2 . 1 . . . A 93 GLY N . 19231 1 1184 . 1 1 94 94 TYR H H 1 8.4750 0.02 . 1 . . . A 94 TYR H . 19231 1 1185 . 1 1 94 94 TYR HA H 1 5.4300 0.02 . 1 . . . A 94 TYR HA . 19231 1 1186 . 1 1 94 94 TYR HB2 H 1 2.8500 0.02 . 2 . . . A 94 TYR HB2 . 19231 1 1187 . 1 1 94 94 TYR HB3 H 1 2.3200 0.02 . 2 . . . A 94 TYR HB3 . 19231 1 1188 . 1 1 94 94 TYR HD1 H 1 6.7900 0.02 . 3 . . . A 94 TYR HD1 . 19231 1 1189 . 1 1 94 94 TYR HD2 H 1 6.7900 0.02 . 3 . . . A 94 TYR HD2 . 19231 1 1190 . 1 1 94 94 TYR HE1 H 1 6.8100 0.02 . 3 . . . A 94 TYR HE1 . 19231 1 1191 . 1 1 94 94 TYR HE2 H 1 6.8100 0.02 . 3 . . . A 94 TYR HE2 . 19231 1 1192 . 1 1 94 94 TYR C C 13 172.8890 0.2 . 1 . . . A 94 TYR C . 19231 1 1193 . 1 1 94 94 TYR CA C 13 57.3690 0.2 . 1 . . . A 94 TYR CA . 19231 1 1194 . 1 1 94 94 TYR CB C 13 44.0520 0.2 . 1 . . . A 94 TYR CB . 19231 1 1195 . 1 1 94 94 TYR CD1 C 13 132.3200 0.2 . 3 . . . A 94 TYR CD1 . 19231 1 1196 . 1 1 94 94 TYR CD2 C 13 132.3200 0.2 . 3 . . . A 94 TYR CD2 . 19231 1 1197 . 1 1 94 94 TYR CE1 C 13 118.7100 0.2 . 3 . . . A 94 TYR CE1 . 19231 1 1198 . 1 1 94 94 TYR CE2 C 13 118.7100 0.2 . 3 . . . A 94 TYR CE2 . 19231 1 1199 . 1 1 94 94 TYR N N 15 122.4710 0.2 . 1 . . . A 94 TYR N . 19231 1 1200 . 1 1 95 95 MET H H 1 8.9360 0.02 . 1 . . . A 95 MET H . 19231 1 1201 . 1 1 95 95 MET HA H 1 4.8900 0.02 . 1 . . . A 95 MET HA . 19231 1 1202 . 1 1 95 95 MET HB2 H 1 1.7290 0.02 . 2 . . . A 95 MET HB2 . 19231 1 1203 . 1 1 95 95 MET HB3 H 1 1.5800 0.02 . 2 . . . A 95 MET HB3 . 19231 1 1204 . 1 1 95 95 MET HG2 H 1 2.1100 0.02 . 2 . . . A 95 MET HG2 . 19231 1 1205 . 1 1 95 95 MET HG3 H 1 1.9700 0.02 . 2 . . . A 95 MET HG3 . 19231 1 1206 . 1 1 95 95 MET C C 13 173.4380 0.2 . 1 . . . A 95 MET C . 19231 1 1207 . 1 1 95 95 MET CA C 13 54.1250 0.2 . 1 . . . A 95 MET CA . 19231 1 1208 . 1 1 95 95 MET CB C 13 39.3640 0.2 . 1 . . . A 95 MET CB . 19231 1 1209 . 1 1 95 95 MET CG C 13 30.3600 0.2 . 1 . . . A 95 MET CG . 19231 1 1210 . 1 1 95 95 MET N N 15 118.6430 0.2 . 1 . . . A 95 MET N . 19231 1 1211 . 1 1 96 96 LEU H H 1 9.8480 0.02 . 1 . . . A 96 LEU H . 19231 1 1212 . 1 1 96 96 LEU HA H 1 5.0800 0.02 . 1 . . . A 96 LEU HA . 19231 1 1213 . 1 1 96 96 LEU HB2 H 1 1.8000 0.02 . 2 . . . A 96 LEU HB2 . 19231 1 1214 . 1 1 96 96 LEU HB3 H 1 1.2100 0.02 . 2 . . . A 96 LEU HB3 . 19231 1 1215 . 1 1 96 96 LEU HG H 1 1.7100 0.02 . 1 . . . A 96 LEU HG . 19231 1 1216 . 1 1 96 96 LEU HD11 H 1 0.8300 0.02 . 2 . . . A 96 LEU HD11 . 19231 1 1217 . 1 1 96 96 LEU HD12 H 1 0.8300 0.02 . 2 . . . A 96 LEU HD12 . 19231 1 1218 . 1 1 96 96 LEU HD13 H 1 0.8300 0.02 . 2 . . . A 96 LEU HD13 . 19231 1 1219 . 1 1 96 96 LEU HD21 H 1 0.7700 0.02 . 2 . . . A 96 LEU HD21 . 19231 1 1220 . 1 1 96 96 LEU HD22 H 1 0.7700 0.02 . 2 . . . A 96 LEU HD22 . 19231 1 1221 . 1 1 96 96 LEU HD23 H 1 0.7700 0.02 . 2 . . . A 96 LEU HD23 . 19231 1 1222 . 1 1 96 96 LEU C C 13 174.9120 0.2 . 1 . . . A 96 LEU C . 19231 1 1223 . 1 1 96 96 LEU CA C 13 53.4820 0.2 . 1 . . . A 96 LEU CA . 19231 1 1224 . 1 1 96 96 LEU CB C 13 43.7560 0.2 . 1 . . . A 96 LEU CB . 19231 1 1225 . 1 1 96 96 LEU CG C 13 27.6630 0.2 . 1 . . . A 96 LEU CG . 19231 1 1226 . 1 1 96 96 LEU CD1 C 13 27.6600 0.2 . 2 . . . A 96 LEU CD1 . 19231 1 1227 . 1 1 96 96 LEU CD2 C 13 25.3570 0.2 . 2 . . . A 96 LEU CD2 . 19231 1 1228 . 1 1 96 96 LEU N N 15 130.1940 0.2 . 1 . . . A 96 LEU N . 19231 1 1229 . 1 1 97 97 ALA H H 1 8.6810 0.02 . 1 . . . A 97 ALA H . 19231 1 1230 . 1 1 97 97 ALA HA H 1 4.3360 0.02 . 1 . . . A 97 ALA HA . 19231 1 1231 . 1 1 97 97 ALA HB1 H 1 1.4160 0.02 . 1 . . . A 97 ALA HB1 . 19231 1 1232 . 1 1 97 97 ALA HB2 H 1 1.4160 0.02 . 1 . . . A 97 ALA HB2 . 19231 1 1233 . 1 1 97 97 ALA HB3 H 1 1.4160 0.02 . 1 . . . A 97 ALA HB3 . 19231 1 1234 . 1 1 97 97 ALA C C 13 176.5600 0.2 . 1 . . . A 97 ALA C . 19231 1 1235 . 1 1 97 97 ALA CA C 13 51.8950 0.2 . 1 . . . A 97 ALA CA . 19231 1 1236 . 1 1 97 97 ALA CB C 13 20.0110 0.2 . 1 . . . A 97 ALA CB . 19231 1 1237 . 1 1 97 97 ALA N N 15 131.1680 0.2 . 1 . . . A 97 ALA N . 19231 1 1238 . 1 1 98 98 ASN H H 1 8.6540 0.02 . 1 . . . A 98 ASN H . 19231 1 1239 . 1 1 98 98 ASN HA H 1 4.6800 0.02 . 1 . . . A 98 ASN HA . 19231 1 1240 . 1 1 98 98 ASN HB2 H 1 2.7800 0.02 . 2 . . . A 98 ASN HB2 . 19231 1 1241 . 1 1 98 98 ASN HB3 H 1 2.6300 0.02 . 2 . . . A 98 ASN HB3 . 19231 1 1242 . 1 1 98 98 ASN HD21 H 1 6.8880 0.02 . 2 . . . A 98 ASN HD21 . 19231 1 1243 . 1 1 98 98 ASN HD22 H 1 7.6140 0.02 . 2 . . . A 98 ASN HD22 . 19231 1 1244 . 1 1 98 98 ASN C C 13 174.9390 0.2 . 1 . . . A 98 ASN C . 19231 1 1245 . 1 1 98 98 ASN CA C 13 52.4290 0.2 . 1 . . . A 98 ASN CA . 19231 1 1246 . 1 1 98 98 ASN CB C 13 38.9120 0.2 . 1 . . . A 98 ASN CB . 19231 1 1247 . 1 1 98 98 ASN N N 15 118.2680 0.2 . 1 . . . A 98 ASN N . 19231 1 1248 . 1 1 98 98 ASN ND2 N 15 110.9070 0.2 . 1 . . . A 98 ASN ND2 . 19231 1 1249 . 1 1 99 99 ASN H H 1 8.1310 0.02 . 1 . . . A 99 ASN H . 19231 1 1250 . 1 1 99 99 ASN HA H 1 4.8000 0.02 . 1 . . . A 99 ASN HA . 19231 1 1251 . 1 1 99 99 ASN HB2 H 1 2.8000 0.02 . 2 . . . A 99 ASN HB2 . 19231 1 1252 . 1 1 99 99 ASN HB3 H 1 2.8000 0.02 . 2 . . . A 99 ASN HB3 . 19231 1 1253 . 1 1 99 99 ASN HD21 H 1 6.9140 0.02 . 2 . . . A 99 ASN HD21 . 19231 1 1254 . 1 1 99 99 ASN HD22 H 1 7.6690 0.02 . 2 . . . A 99 ASN HD22 . 19231 1 1255 . 1 1 99 99 ASN C C 13 174.7440 0.2 . 1 . . . A 99 ASN C . 19231 1 1256 . 1 1 99 99 ASN CA C 13 53.0480 0.2 . 1 . . . A 99 ASN CA . 19231 1 1257 . 1 1 99 99 ASN CB C 13 39.0390 0.2 . 1 . . . A 99 ASN CB . 19231 1 1258 . 1 1 99 99 ASN N N 15 117.4880 0.2 . 1 . . . A 99 ASN N . 19231 1 1259 . 1 1 99 99 ASN ND2 N 15 113.2660 0.2 . 1 . . . A 99 ASN ND2 . 19231 1 1260 . 1 1 100 100 ILE H H 1 8.1390 0.02 . 1 . . . A 100 ILE H . 19231 1 1261 . 1 1 100 100 ILE HA H 1 4.2400 0.02 . 1 . . . A 100 ILE HA . 19231 1 1262 . 1 1 100 100 ILE HB H 1 1.9110 0.02 . 1 . . . A 100 ILE HB . 19231 1 1263 . 1 1 100 100 ILE HG12 H 1 1.4100 0.02 . 2 . . . A 100 ILE HG12 . 19231 1 1264 . 1 1 100 100 ILE HG13 H 1 1.1300 0.02 . 2 . . . A 100 ILE HG13 . 19231 1 1265 . 1 1 100 100 ILE HG21 H 1 0.8900 0.02 . 1 . . . A 100 ILE HG21 . 19231 1 1266 . 1 1 100 100 ILE HG22 H 1 0.8900 0.02 . 1 . . . A 100 ILE HG22 . 19231 1 1267 . 1 1 100 100 ILE HG23 H 1 0.8900 0.02 . 1 . . . A 100 ILE HG23 . 19231 1 1268 . 1 1 100 100 ILE HD11 H 1 0.8500 0.02 . 1 . . . A 100 ILE HD11 . 19231 1 1269 . 1 1 100 100 ILE HD12 H 1 0.8500 0.02 . 1 . . . A 100 ILE HD12 . 19231 1 1270 . 1 1 100 100 ILE HD13 H 1 0.8500 0.02 . 1 . . . A 100 ILE HD13 . 19231 1 1271 . 1 1 100 100 ILE C C 13 175.7690 0.2 . 1 . . . A 100 ILE C . 19231 1 1272 . 1 1 100 100 ILE CA C 13 61.0040 0.2 . 1 . . . A 100 ILE CA . 19231 1 1273 . 1 1 100 100 ILE CB C 13 38.6790 0.2 . 1 . . . A 100 ILE CB . 19231 1 1274 . 1 1 100 100 ILE CG1 C 13 26.9280 0.2 . 1 . . . A 100 ILE CG1 . 19231 1 1275 . 1 1 100 100 ILE CG2 C 13 17.7530 0.2 . 1 . . . A 100 ILE CG2 . 19231 1 1276 . 1 1 100 100 ILE CD1 C 13 13.3380 0.2 . 1 . . . A 100 ILE CD1 . 19231 1 1277 . 1 1 100 100 ILE N N 15 118.8810 0.2 . 1 . . . A 100 ILE N . 19231 1 1278 . 1 1 101 101 ASP H H 1 8.4260 0.02 . 1 . . . A 101 ASP H . 19231 1 1279 . 1 1 101 101 ASP HA H 1 4.7200 0.02 . 1 . . . A 101 ASP HA . 19231 1 1280 . 1 1 101 101 ASP HB2 H 1 2.7600 0.02 . 2 . . . A 101 ASP HB2 . 19231 1 1281 . 1 1 101 101 ASP HB3 H 1 2.6600 0.02 . 2 . . . A 101 ASP HB3 . 19231 1 1282 . 1 1 101 101 ASP C C 13 176.2100 0.2 . 1 . . . A 101 ASP C . 19231 1 1283 . 1 1 101 101 ASP CA C 13 54.5130 0.2 . 1 . . . A 101 ASP CA . 19231 1 1284 . 1 1 101 101 ASP CB C 13 41.2210 0.2 . 1 . . . A 101 ASP CB . 19231 1 1285 . 1 1 101 101 ASP N N 15 123.5160 0.2 . 1 . . . A 101 ASP N . 19231 1 1286 . 1 1 102 102 THR H H 1 8.0450 0.02 . 1 . . . A 102 THR H . 19231 1 1287 . 1 1 102 102 THR HA H 1 4.3600 0.02 . 1 . . . A 102 THR HA . 19231 1 1288 . 1 1 102 102 THR HB H 1 4.3000 0.02 . 1 . . . A 102 THR HB . 19231 1 1289 . 1 1 102 102 THR HG21 H 1 1.2100 0.02 . 1 . . . A 102 THR HG21 . 19231 1 1290 . 1 1 102 102 THR HG22 H 1 1.2100 0.02 . 1 . . . A 102 THR HG22 . 19231 1 1291 . 1 1 102 102 THR HG23 H 1 1.2100 0.02 . 1 . . . A 102 THR HG23 . 19231 1 1292 . 1 1 102 102 THR C C 13 173.7330 0.2 . 1 . . . A 102 THR C . 19231 1 1293 . 1 1 102 102 THR CA C 13 61.4770 0.2 . 1 . . . A 102 THR CA . 19231 1 1294 . 1 1 102 102 THR CB C 13 69.7880 0.2 . 1 . . . A 102 THR CB . 19231 1 1295 . 1 1 102 102 THR CG2 C 13 21.5270 0.2 . 1 . . . A 102 THR CG2 . 19231 1 1296 . 1 1 102 102 THR N N 15 113.3580 0.2 . 1 . . . A 102 THR N . 19231 1 1297 . 1 1 103 103 GLU H H 1 8.0440 0.02 . 1 . . . A 103 GLU H . 19231 1 1298 . 1 1 103 103 GLU HA H 1 4.1400 0.02 . 1 . . . A 103 GLU HA . 19231 1 1299 . 1 1 103 103 GLU HB2 H 1 2.0800 0.02 . 2 . . . A 103 GLU HB2 . 19231 1 1300 . 1 1 103 103 GLU HB3 H 1 1.9300 0.02 . 2 . . . A 103 GLU HB3 . 19231 1 1301 . 1 1 103 103 GLU HG2 H 1 2.2400 0.02 . 2 . . . A 103 GLU HG2 . 19231 1 1302 . 1 1 103 103 GLU HG3 H 1 2.2400 0.02 . 2 . . . A 103 GLU HG3 . 19231 1 1303 . 1 1 103 103 GLU C C 13 181.0700 0.2 . 1 . . . A 103 GLU C . 19231 1 1304 . 1 1 103 103 GLU CA C 13 58.2510 0.2 . 1 . . . A 103 GLU CA . 19231 1 1305 . 1 1 103 103 GLU CB C 13 31.2390 0.2 . 1 . . . A 103 GLU CB . 19231 1 1306 . 1 1 103 103 GLU CG C 13 36.6000 0.2 . 1 . . . A 103 GLU CG . 19231 1 1307 . 1 1 103 103 GLU N N 15 128.0310 0.2 . 1 . . . A 103 GLU N . 19231 1 stop_ save_