data_5719 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5719 _Entry.Title ; Resonance assignment and secondary structure of an N-terminal fragment of the human La protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-07 _Entry.Accession_date 2003-03-07 _Entry.Last_release_date 2003-07-17 _Entry.Original_release_date 2003-07-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Caterina Alfano . . . 5719 2 Jeff Babon . . . 5719 3 Geoff Kelly . . . 5719 4 Stephen Curry . . . 5719 5 Maria Conte . R . 5719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 5719 '15N chemical shifts' 103 5719 '1H chemical shifts' 714 5719 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-07-17 2003-03-07 original author . 5719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1S79 'BMRB Entry Tracking System' 5719 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5719 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22760844 _Citation.DOI . _Citation.PubMed_ID 12878847 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Resonance Assignment and Secondary Structure of an N-terminal Fragment of the Human La Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 94 _Citation.Year 2003 _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 Caterina Alfano . . . 5719 1 2 Jeff Babon . . . 5719 1 3 Geoff Kelly . . . 5719 1 4 Stephen Curry . . . 5719 1 5 Maria Conte . R. . 5719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_La _Assembly.Sf_category assembly _Assembly.Sf_framecode system_La _Assembly.Entry_ID 5719 _Assembly.ID 1 _Assembly.Name 'La protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5719 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'La RRM2, La monomer' 1 $La . . . native . . . . . 5719 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID La abbreviation 5719 1 'La protein' system 5719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_La _Entity.Sf_category entity _Entity.Sf_framecode La _Entity.Entry_ID 5719 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'La protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHIEGRWILKNDVK NRSVYIKGFPTDATLDDIKE WLEDKGQVLNIQMRRTLHKA FKGSIFVVFDSIESAKKFVE TPGQKYKETDLLILFKDDYF AKKNEERKQNKVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15726 . La_protein . . . . . 79.65 197 100.00 100.00 3.12e-56 . . . . 5719 1 2 no BMRB 15727 . La_protein . . . . . 79.65 197 100.00 100.00 3.12e-56 . . . . 5719 1 3 no BMRB 17878 . human_La_protein . . . . . 86.73 322 100.00 100.00 1.16e-60 . . . . 5719 1 4 no PDB 1S79 . "Solution Structure Of The Central Rrm Of Human La Protein" . . . . . 91.15 103 100.00 100.00 2.39e-67 . . . . 5719 1 5 no PDB 1YTY . "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" . . . . . 79.65 194 98.89 98.89 6.48e-55 . . . . 5719 1 6 no PDB 1ZH5 . "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" . . . . . 79.65 195 98.89 98.89 6.47e-55 . . . . 5719 1 7 no PDB 2VOD . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" . . . . . 79.65 193 100.00 100.00 4.23e-56 . . . . 5719 1 8 no PDB 2VON . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" . . . . . 79.65 193 100.00 100.00 4.23e-56 . . . . 5719 1 9 no PDB 2VOO . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" . . . . . 79.65 193 100.00 100.00 4.23e-56 . . . . 5719 1 10 no PDB 2VOP . "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" . . . . . 79.65 193 100.00 100.00 4.23e-56 . . . . 5719 1 11 no DBJ BAE87871 . "unnamed protein product [Macaca fascicularis]" . . . . . 86.73 405 98.98 98.98 1.31e-58 . . . . 5719 1 12 no DBJ BAE87890 . "unnamed protein product [Macaca fascicularis]" . . . . . 86.73 405 98.98 98.98 1.31e-58 . . . . 5719 1 13 no DBJ BAG70042 . "autoantigen La [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 14 no DBJ BAG70165 . "autoantigen La [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.44e-60 . . . . 5719 1 15 no DBJ BAI45822 . "Sjogren syndrome antigen B [synthetic construct]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 16 no EMBL CAA31985 . "unnamed protein product [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 17 no EMBL CAA32815 . "La 4.1 protein [Homo sapiens]" . . . . . 79.65 296 97.78 98.89 5.92e-54 . . . . 5719 1 18 no GB AAA36577 . "ribonucleoprotein La, partial [Homo sapiens]" . . . . . 86.73 355 100.00 100.00 1.27e-60 . . . . 5719 1 19 no GB AAA51885 . "La protein [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 20 no GB AAH01289 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 21 no GB AAH20818 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 22 no GB AAP88864 . "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 23 no REF NP_001267347 . "lupus La protein [Pan troglodytes]" . . . . . 86.73 408 98.98 98.98 1.39e-58 . . . . 5719 1 24 no REF NP_001270975 . "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" . . . . . 86.73 405 98.98 98.98 1.31e-58 . . . . 5719 1 25 no REF NP_001281074 . "lupus La protein [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 26 no REF NP_003133 . "lupus La protein [Homo sapiens]" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 27 no REF XP_001497943 . "PREDICTED: lupus La protein homolog isoform 1 [Equus caballus]" . . . . . 86.73 405 96.94 98.98 4.14e-58 . . . . 5719 1 28 no SP P05455 . "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" . . . . . 86.73 408 100.00 100.00 9.34e-60 . . . . 5719 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID La abbreviation 5719 1 'La protein' common 5719 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5719 1 2 . GLY . 5719 1 3 . HIS . 5719 1 4 . HIS . 5719 1 5 . HIS . 5719 1 6 . HIS . 5719 1 7 . HIS . 5719 1 8 . HIS . 5719 1 9 . ILE . 5719 1 10 . GLU . 5719 1 11 . GLY . 5719 1 12 . ARG . 5719 1 13 . TRP . 5719 1 14 . ILE . 5719 1 15 . LEU . 5719 1 16 . LYS . 5719 1 17 . ASN . 5719 1 18 . ASP . 5719 1 19 . VAL . 5719 1 20 . LYS . 5719 1 21 . ASN . 5719 1 22 . ARG . 5719 1 23 . SER . 5719 1 24 . VAL . 5719 1 25 . TYR . 5719 1 26 . ILE . 5719 1 27 . LYS . 5719 1 28 . GLY . 5719 1 29 . PHE . 5719 1 30 . PRO . 5719 1 31 . THR . 5719 1 32 . ASP . 5719 1 33 . ALA . 5719 1 34 . THR . 5719 1 35 . LEU . 5719 1 36 . ASP . 5719 1 37 . ASP . 5719 1 38 . ILE . 5719 1 39 . LYS . 5719 1 40 . GLU . 5719 1 41 . TRP . 5719 1 42 . LEU . 5719 1 43 . GLU . 5719 1 44 . ASP . 5719 1 45 . LYS . 5719 1 46 . GLY . 5719 1 47 . GLN . 5719 1 48 . VAL . 5719 1 49 . LEU . 5719 1 50 . ASN . 5719 1 51 . ILE . 5719 1 52 . GLN . 5719 1 53 . MET . 5719 1 54 . ARG . 5719 1 55 . ARG . 5719 1 56 . THR . 5719 1 57 . LEU . 5719 1 58 . HIS . 5719 1 59 . LYS . 5719 1 60 . ALA . 5719 1 61 . PHE . 5719 1 62 . LYS . 5719 1 63 . GLY . 5719 1 64 . SER . 5719 1 65 . ILE . 5719 1 66 . PHE . 5719 1 67 . VAL . 5719 1 68 . VAL . 5719 1 69 . PHE . 5719 1 70 . ASP . 5719 1 71 . SER . 5719 1 72 . ILE . 5719 1 73 . GLU . 5719 1 74 . SER . 5719 1 75 . ALA . 5719 1 76 . LYS . 5719 1 77 . LYS . 5719 1 78 . PHE . 5719 1 79 . VAL . 5719 1 80 . GLU . 5719 1 81 . THR . 5719 1 82 . PRO . 5719 1 83 . GLY . 5719 1 84 . GLN . 5719 1 85 . LYS . 5719 1 86 . TYR . 5719 1 87 . LYS . 5719 1 88 . GLU . 5719 1 89 . THR . 5719 1 90 . ASP . 5719 1 91 . LEU . 5719 1 92 . LEU . 5719 1 93 . ILE . 5719 1 94 . LEU . 5719 1 95 . PHE . 5719 1 96 . LYS . 5719 1 97 . ASP . 5719 1 98 . ASP . 5719 1 99 . TYR . 5719 1 100 . PHE . 5719 1 101 . ALA . 5719 1 102 . LYS . 5719 1 103 . LYS . 5719 1 104 . ASN . 5719 1 105 . GLU . 5719 1 106 . GLU . 5719 1 107 . ARG . 5719 1 108 . LYS . 5719 1 109 . GLN . 5719 1 110 . ASN . 5719 1 111 . LYS . 5719 1 112 . VAL . 5719 1 113 . GLU . 5719 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5719 1 . GLY 2 2 5719 1 . HIS 3 3 5719 1 . HIS 4 4 5719 1 . HIS 5 5 5719 1 . HIS 6 6 5719 1 . HIS 7 7 5719 1 . HIS 8 8 5719 1 . ILE 9 9 5719 1 . GLU 10 10 5719 1 . GLY 11 11 5719 1 . ARG 12 12 5719 1 . TRP 13 13 5719 1 . ILE 14 14 5719 1 . LEU 15 15 5719 1 . LYS 16 16 5719 1 . ASN 17 17 5719 1 . ASP 18 18 5719 1 . VAL 19 19 5719 1 . LYS 20 20 5719 1 . ASN 21 21 5719 1 . ARG 22 22 5719 1 . SER 23 23 5719 1 . VAL 24 24 5719 1 . TYR 25 25 5719 1 . ILE 26 26 5719 1 . LYS 27 27 5719 1 . GLY 28 28 5719 1 . PHE 29 29 5719 1 . PRO 30 30 5719 1 . THR 31 31 5719 1 . ASP 32 32 5719 1 . ALA 33 33 5719 1 . THR 34 34 5719 1 . LEU 35 35 5719 1 . ASP 36 36 5719 1 . ASP 37 37 5719 1 . ILE 38 38 5719 1 . LYS 39 39 5719 1 . GLU 40 40 5719 1 . TRP 41 41 5719 1 . LEU 42 42 5719 1 . GLU 43 43 5719 1 . ASP 44 44 5719 1 . LYS 45 45 5719 1 . GLY 46 46 5719 1 . GLN 47 47 5719 1 . VAL 48 48 5719 1 . LEU 49 49 5719 1 . ASN 50 50 5719 1 . ILE 51 51 5719 1 . GLN 52 52 5719 1 . MET 53 53 5719 1 . ARG 54 54 5719 1 . ARG 55 55 5719 1 . THR 56 56 5719 1 . LEU 57 57 5719 1 . HIS 58 58 5719 1 . LYS 59 59 5719 1 . ALA 60 60 5719 1 . PHE 61 61 5719 1 . LYS 62 62 5719 1 . GLY 63 63 5719 1 . SER 64 64 5719 1 . ILE 65 65 5719 1 . PHE 66 66 5719 1 . VAL 67 67 5719 1 . VAL 68 68 5719 1 . PHE 69 69 5719 1 . ASP 70 70 5719 1 . SER 71 71 5719 1 . ILE 72 72 5719 1 . GLU 73 73 5719 1 . SER 74 74 5719 1 . ALA 75 75 5719 1 . LYS 76 76 5719 1 . LYS 77 77 5719 1 . PHE 78 78 5719 1 . VAL 79 79 5719 1 . GLU 80 80 5719 1 . THR 81 81 5719 1 . PRO 82 82 5719 1 . GLY 83 83 5719 1 . GLN 84 84 5719 1 . LYS 85 85 5719 1 . TYR 86 86 5719 1 . LYS 87 87 5719 1 . GLU 88 88 5719 1 . THR 89 89 5719 1 . ASP 90 90 5719 1 . LEU 91 91 5719 1 . LEU 92 92 5719 1 . ILE 93 93 5719 1 . LEU 94 94 5719 1 . PHE 95 95 5719 1 . LYS 96 96 5719 1 . ASP 97 97 5719 1 . ASP 98 98 5719 1 . TYR 99 99 5719 1 . PHE 100 100 5719 1 . ALA 101 101 5719 1 . LYS 102 102 5719 1 . LYS 103 103 5719 1 . ASN 104 104 5719 1 . GLU 105 105 5719 1 . GLU 106 106 5719 1 . ARG 107 107 5719 1 . LYS 108 108 5719 1 . GLN 109 109 5719 1 . ASN 110 110 5719 1 . LYS 111 111 5719 1 . VAL 112 112 5719 1 . GLU 113 113 5719 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 5719 _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 $La . 9606 organism . 'Homo sapiens' HUMAN . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5719 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 5719 _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 $La . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5719 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'La protein' . . . 1 $La . . . . . mM . . . . 5719 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5719 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5719 1 temperature 293 0.5 K 5719 1 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 5719 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5719 _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 unknown unknown . 0 'spectrometer information not available' . . 5719 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 5719 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5719 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5719 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5719 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5719 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5719 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5719 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5719 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 7 7 HIS CA C 13 55.653 0.000 . 1 . . . . . . . . 5719 1 2 . 1 1 7 7 HIS CB C 13 30.082 0.000 . 1 . . . . . . . . 5719 1 3 . 1 1 7 7 HIS C C 13 174.440 0.000 . 1 . . . . . . . . 5719 1 4 . 1 1 8 8 HIS N N 15 120.990 0.053 . 1 . . . . . . . . 5719 1 5 . 1 1 8 8 HIS H H 1 8.657 0.017 . 1 . . . . . . . . 5719 1 6 . 1 1 8 8 HIS CA C 13 55.694 0.000 . 1 . . . . . . . . 5719 1 7 . 1 1 8 8 HIS CB C 13 29.745 0.000 . 1 . . . . . . . . 5719 1 8 . 1 1 8 8 HIS C C 13 174.300 0.000 . 1 . . . . . . . . 5719 1 9 . 1 1 9 9 ILE N N 15 123.306 0.053 . 1 . . . . . . . . 5719 1 10 . 1 1 9 9 ILE H H 1 8.267 0.004 . 1 . . . . . . . . 5719 1 11 . 1 1 9 9 ILE CA C 13 60.647 0.000 . 1 . . . . . . . . 5719 1 12 . 1 1 9 9 ILE HA H 1 4.130 0.000 . 1 . . . . . . . . 5719 1 13 . 1 1 9 9 ILE CB C 13 38.804 0.000 . 1 . . . . . . . . 5719 1 14 . 1 1 9 9 ILE HB H 1 1.788 0.000 . 1 . . . . . . . . 5719 1 15 . 1 1 9 9 ILE CG2 C 13 17.340 0.000 . 1 . . . . . . . . 5719 1 16 . 1 1 9 9 ILE HG21 H 1 0.856 0.000 . 1 . . . . . . . . 5719 1 17 . 1 1 9 9 ILE HG22 H 1 0.856 0.000 . 1 . . . . . . . . 5719 1 18 . 1 1 9 9 ILE HG23 H 1 0.856 0.000 . 1 . . . . . . . . 5719 1 19 . 1 1 9 9 ILE CG1 C 13 27.049 0.000 . 1 . . . . . . . . 5719 1 20 . 1 1 9 9 ILE HG12 H 1 1.089 0.000 . 1 . . . . . . . . 5719 1 21 . 1 1 9 9 ILE HG13 H 1 1.363 0.000 . 1 . . . . . . . . 5719 1 22 . 1 1 9 9 ILE CD1 C 13 12.830 0.000 . 1 . . . . . . . . 5719 1 23 . 1 1 9 9 ILE HD11 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 24 . 1 1 9 9 ILE HD12 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 25 . 1 1 9 9 ILE HD13 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 26 . 1 1 9 9 ILE C C 13 175.800 0.000 . 1 . . . . . . . . 5719 1 27 . 1 1 10 10 GLU N N 15 125.556 0.053 . 1 . . . . . . . . 5719 1 28 . 1 1 10 10 GLU H H 1 8.567 0.013 . 1 . . . . . . . . 5719 1 29 . 1 1 10 10 GLU CA C 13 56.272 0.000 . 1 . . . . . . . . 5719 1 30 . 1 1 10 10 GLU HA H 1 4.287 0.000 . 1 . . . . . . . . 5719 1 31 . 1 1 10 10 GLU CB C 13 30.174 0.000 . 1 . . . . . . . . 5719 1 32 . 1 1 10 10 GLU HB2 H 1 1.965 0.000 . 1 . . . . . . . . 5719 1 33 . 1 1 10 10 GLU HB3 H 1 2.067 0.000 . 1 . . . . . . . . 5719 1 34 . 1 1 10 10 GLU CG C 13 36.111 0.000 . 1 . . . . . . . . 5719 1 35 . 1 1 10 10 GLU HG2 H 1 2.308 0.000 . 1 . . . . . . . . 5719 1 36 . 1 1 10 10 GLU HG3 H 1 2.308 0.000 . 1 . . . . . . . . 5719 1 37 . 1 1 10 10 GLU C C 13 176.750 0.000 . 1 . . . . . . . . 5719 1 38 . 1 1 11 11 GLY N N 15 110.253 0.000 . 1 . . . . . . . . 5719 1 39 . 1 1 11 11 GLY H H 1 8.405 0.000 . 1 . . . . . . . . 5719 1 40 . 1 1 11 11 GLY CA C 13 45.260 0.000 . 1 . . . . . . . . 5719 1 41 . 1 1 11 11 GLY HA2 H 1 3.889 0.000 . 1 . . . . . . . . 5719 1 42 . 1 1 11 11 GLY HA3 H 1 3.889 0.000 . 1 . . . . . . . . 5719 1 43 . 1 1 11 11 GLY C C 13 174.230 0.000 . 1 . . . . . . . . 5719 1 44 . 1 1 12 12 ARG N N 15 120.431 0.072 . 1 . . . . . . . . 5719 1 45 . 1 1 12 12 ARG H H 1 8.136 0.006 . 1 . . . . . . . . 5719 1 46 . 1 1 12 12 ARG CA C 13 56.272 0.000 . 1 . . . . . . . . 5719 1 47 . 1 1 12 12 ARG HA H 1 4.238 0.000 . 1 . . . . . . . . 5719 1 48 . 1 1 12 12 ARG CB C 13 30.305 0.000 . 1 . . . . . . . . 5719 1 49 . 1 1 12 12 ARG HB2 H 1 1.647 0.000 . 1 . . . . . . . . 5719 1 50 . 1 1 12 12 ARG HB3 H 1 1.647 0.000 . 1 . . . . . . . . 5719 1 51 . 1 1 12 12 ARG CG C 13 26.580 0.000 . 1 . . . . . . . . 5719 1 52 . 1 1 12 12 ARG HG2 H 1 1.392 0.000 . 1 . . . . . . . . 5719 1 53 . 1 1 12 12 ARG HG3 H 1 1.392 0.000 . 1 . . . . . . . . 5719 1 54 . 1 1 12 12 ARG C C 13 177.160 0.000 . 1 . . . . . . . . 5719 1 55 . 1 1 13 13 TRP N N 15 121.681 0.072 . 1 . . . . . . . . 5719 1 56 . 1 1 13 13 TRP H H 1 8.130 0.012 . 1 . . . . . . . . 5719 1 57 . 1 1 13 13 TRP CA C 13 57.053 0.000 . 1 . . . . . . . . 5719 1 58 . 1 1 13 13 TRP HA H 1 4.682 0.000 . 1 . . . . . . . . 5719 1 59 . 1 1 13 13 TRP CB C 13 29.080 0.000 . 1 . . . . . . . . 5719 1 60 . 1 1 13 13 TRP HB2 H 1 3.216 0.000 . 1 . . . . . . . . 5719 1 61 . 1 1 13 13 TRP HB3 H 1 3.329 0.000 . 1 . . . . . . . . 5719 1 62 . 1 1 13 13 TRP CD1 C 13 126.745 0.000 . 1 . . . . . . . . 5719 1 63 . 1 1 13 13 TRP CE3 C 13 120.336 0.000 . 1 . . . . . . . . 5719 1 64 . 1 1 13 13 TRP NE1 N 15 129.466 0.000 . 1 . . . . . . . . 5719 1 65 . 1 1 13 13 TRP HD1 H 1 7.245 0.000 . 1 . . . . . . . . 5719 1 66 . 1 1 13 13 TRP HE3 H 1 7.588 0.000 . 1 . . . . . . . . 5719 1 67 . 1 1 13 13 TRP CZ3 C 13 121.589 0.000 . 1 . . . . . . . . 5719 1 68 . 1 1 13 13 TRP CZ2 C 13 114.570 0.000 . 1 . . . . . . . . 5719 1 69 . 1 1 13 13 TRP HE1 H 1 10.174 0.000 . 1 . . . . . . . . 5719 1 70 . 1 1 13 13 TRP HZ3 H 1 7.127 0.000 . 1 . . . . . . . . 5719 1 71 . 1 1 13 13 TRP CH2 C 13 124.245 0.000 . 1 . . . . . . . . 5719 1 72 . 1 1 13 13 TRP HZ2 H 1 7.466 0.000 . 1 . . . . . . . . 5719 1 73 . 1 1 13 13 TRP HH2 H 1 7.205 0.000 . 1 . . . . . . . . 5719 1 74 . 1 1 13 13 TRP C C 13 176.090 0.000 . 1 . . . . . . . . 5719 1 75 . 1 1 14 14 ILE N N 15 122.056 0.053 . 1 . . . . . . . . 5719 1 76 . 1 1 14 14 ILE H H 1 7.783 0.012 . 1 . . . . . . . . 5719 1 77 . 1 1 14 14 ILE CA C 13 60.959 0.000 . 1 . . . . . . . . 5719 1 78 . 1 1 14 14 ILE HA H 1 4.031 0.000 . 1 . . . . . . . . 5719 1 79 . 1 1 14 14 ILE CB C 13 38.677 0.000 . 1 . . . . . . . . 5719 1 80 . 1 1 14 14 ILE HB H 1 1.762 0.000 . 1 . . . . . . . . 5719 1 81 . 1 1 14 14 ILE CG2 C 13 17.210 0.000 . 1 . . . . . . . . 5719 1 82 . 1 1 14 14 ILE HG21 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 83 . 1 1 14 14 ILE HG22 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 84 . 1 1 14 14 ILE HG23 H 1 0.822 0.000 . 1 . . . . . . . . 5719 1 85 . 1 1 14 14 ILE CG1 C 13 27.079 0.000 . 1 . . . . . . . . 5719 1 86 . 1 1 14 14 ILE HG12 H 1 1.362 0.000 . 1 . . . . . . . . 5719 1 87 . 1 1 14 14 ILE HG13 H 1 1.125 0.000 . 1 . . . . . . . . 5719 1 88 . 1 1 14 14 ILE CD1 C 13 12.837 0.000 . 1 . . . . . . . . 5719 1 89 . 1 1 14 14 ILE HD11 H 1 0.816 0.000 . 1 . . . . . . . . 5719 1 90 . 1 1 14 14 ILE HD12 H 1 0.816 0.000 . 1 . . . . . . . . 5719 1 91 . 1 1 14 14 ILE HD13 H 1 0.816 0.000 . 1 . . . . . . . . 5719 1 92 . 1 1 14 14 ILE C C 13 175.890 0.000 . 1 . . . . . . . . 5719 1 93 . 1 1 15 15 LEU N N 15 125.361 0.072 . 1 . . . . . . . . 5719 1 94 . 1 1 15 15 LEU H H 1 8.116 0.009 . 1 . . . . . . . . 5719 1 95 . 1 1 15 15 LEU CA C 13 57.468 0.000 . 1 . . . . . . . . 5719 1 96 . 1 1 15 15 LEU HA H 1 4.148 0.000 . 1 . . . . . . . . 5719 1 97 . 1 1 15 15 LEU CB C 13 41.392 0.000 . 1 . . . . . . . . 5719 1 98 . 1 1 15 15 LEU HB2 H 1 1.681 0.000 . 1 . . . . . . . . 5719 1 99 . 1 1 15 15 LEU HB3 H 1 1.452 0.000 . 1 . . . . . . . . 5719 1 100 . 1 1 15 15 LEU CG C 13 27.022 0.000 . 1 . . . . . . . . 5719 1 101 . 1 1 15 15 LEU HG H 1 1.465 0.000 . 1 . . . . . . . . 5719 1 102 . 1 1 15 15 LEU CD1 C 13 24.397 0.000 . 1 . . . . . . . . 5719 1 103 . 1 1 15 15 LEU HD11 H 1 0.908 0.000 . 1 . . . . . . . . 5719 1 104 . 1 1 15 15 LEU HD12 H 1 0.908 0.000 . 1 . . . . . . . . 5719 1 105 . 1 1 15 15 LEU HD13 H 1 0.908 0.000 . 1 . . . . . . . . 5719 1 106 . 1 1 15 15 LEU CD2 C 13 23.924 0.000 . 1 . . . . . . . . 5719 1 107 . 1 1 15 15 LEU HD21 H 1 0.879 0.000 . 1 . . . . . . . . 5719 1 108 . 1 1 15 15 LEU HD22 H 1 0.879 0.000 . 1 . . . . . . . . 5719 1 109 . 1 1 15 15 LEU HD23 H 1 0.879 0.000 . 1 . . . . . . . . 5719 1 110 . 1 1 15 15 LEU C C 13 177.360 0.000 . 1 . . . . . . . . 5719 1 111 . 1 1 16 16 LYS N N 15 121.850 0.000 . 1 . . . . . . . . 5719 1 112 . 1 1 16 16 LYS H H 1 8.158 0.000 . 1 . . . . . . . . 5719 1 113 . 1 1 16 16 LYS CA C 13 56.428 0.000 . 1 . . . . . . . . 5719 1 114 . 1 1 16 16 LYS HA H 1 4.235 0.000 . 1 . . . . . . . . 5719 1 115 . 1 1 16 16 LYS CB C 13 32.830 0.000 . 1 . . . . . . . . 5719 1 116 . 1 1 16 16 LYS HB2 H 1 1.784 0.000 . 1 . . . . . . . . 5719 1 117 . 1 1 16 16 LYS HB3 H 1 1.845 0.000 . 1 . . . . . . . . 5719 1 118 . 1 1 16 16 LYS CG C 13 26.893 0.000 . 1 . . . . . . . . 5719 1 119 . 1 1 16 16 LYS HG2 H 1 1.384 0.000 . 1 . . . . . . . . 5719 1 120 . 1 1 16 16 LYS HG3 H 1 1.659 0.000 . 1 . . . . . . . . 5719 1 121 . 1 1 16 16 LYS CD C 13 29.084 0.000 . 1 . . . . . . . . 5719 1 122 . 1 1 16 16 LYS HD2 H 1 1.690 0.000 . 1 . . . . . . . . 5719 1 123 . 1 1 16 16 LYS HD3 H 1 1.690 0.000 . 1 . . . . . . . . 5719 1 124 . 1 1 16 16 LYS C C 13 176.610 0.000 . 1 . . . . . . . . 5719 1 125 . 1 1 17 17 ASN N N 15 119.253 0.000 . 1 . . . . . . . . 5719 1 126 . 1 1 17 17 ASN H H 1 8.386 0.000 . 1 . . . . . . . . 5719 1 127 . 1 1 17 17 ASN CA C 13 53.147 0.000 . 1 . . . . . . . . 5719 1 128 . 1 1 17 17 ASN HA H 1 4.700 0.000 . 1 . . . . . . . . 5719 1 129 . 1 1 17 17 ASN CB C 13 38.611 0.000 . 1 . . . . . . . . 5719 1 130 . 1 1 17 17 ASN HB2 H 1 2.762 0.000 . 1 . . . . . . . . 5719 1 131 . 1 1 17 17 ASN HB3 H 1 2.848 0.000 . 1 . . . . . . . . 5719 1 132 . 1 1 17 17 ASN C C 13 175.160 0.000 . 1 . . . . . . . . 5719 1 133 . 1 1 18 18 ASP N N 15 121.253 0.000 . 1 . . . . . . . . 5719 1 134 . 1 1 18 18 ASP H H 1 8.156 0.000 . 1 . . . . . . . . 5719 1 135 . 1 1 18 18 ASP CA C 13 54.397 0.000 . 1 . . . . . . . . 5719 1 136 . 1 1 18 18 ASP HA H 1 4.566 0.000 . 1 . . . . . . . . 5719 1 137 . 1 1 18 18 ASP CB C 13 41.580 0.000 . 1 . . . . . . . . 5719 1 138 . 1 1 18 18 ASP HB2 H 1 2.713 0.000 . 1 . . . . . . . . 5719 1 139 . 1 1 18 18 ASP HB3 H 1 2.794 0.000 . 1 . . . . . . . . 5719 1 140 . 1 1 18 18 ASP C C 13 178.069 0.000 . 1 . . . . . . . . 5719 1 141 . 1 1 19 19 VAL N N 15 121.253 0.000 . 1 . . . . . . . . 5719 1 142 . 1 1 19 19 VAL H H 1 8.125 0.000 . 1 . . . . . . . . 5719 1 143 . 1 1 19 19 VAL CA C 13 64.397 0.000 . 1 . . . . . . . . 5719 1 144 . 1 1 19 19 VAL HA H 1 3.810 0.000 . 1 . . . . . . . . 5719 1 145 . 1 1 19 19 VAL CB C 13 31.883 0.000 . 1 . . . . . . . . 5719 1 146 . 1 1 19 19 VAL HB H 1 2.152 0.000 . 1 . . . . . . . . 5719 1 147 . 1 1 19 19 VAL CG1 C 13 20.632 0.000 . 1 . . . . . . . . 5719 1 148 . 1 1 19 19 VAL HG11 H 1 0.918 0.000 . 1 . . . . . . . . 5719 1 149 . 1 1 19 19 VAL HG12 H 1 0.918 0.000 . 1 . . . . . . . . 5719 1 150 . 1 1 19 19 VAL HG13 H 1 0.918 0.000 . 1 . . . . . . . . 5719 1 151 . 1 1 19 19 VAL CG2 C 13 21.762 0.000 . 1 . . . . . . . . 5719 1 152 . 1 1 19 19 VAL HG21 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 153 . 1 1 19 19 VAL HG22 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 154 . 1 1 19 19 VAL HG23 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 155 . 1 1 19 19 VAL C C 13 178.760 0.000 . 1 . . . . . . . . 5719 1 156 . 1 1 20 20 LYS N N 15 124.306 0.053 . 1 . . . . . . . . 5719 1 157 . 1 1 20 20 LYS H H 1 8.687 0.004 . 1 . . . . . . . . 5719 1 158 . 1 1 20 20 LYS CA C 13 59.553 0.000 . 1 . . . . . . . . 5719 1 159 . 1 1 20 20 LYS HA H 1 4.057 0.000 . 1 . . . . . . . . 5719 1 160 . 1 1 20 20 LYS CB C 13 31.736 0.000 . 1 . . . . . . . . 5719 1 161 . 1 1 20 20 LYS HB2 H 1 1.870 0.000 . 1 . . . . . . . . 5719 1 162 . 1 1 20 20 LYS HB3 H 1 1.940 0.000 . 1 . . . . . . . . 5719 1 163 . 1 1 20 20 LYS CG C 13 21.893 0.000 . 1 . . . . . . . . 5719 1 164 . 1 1 20 20 LYS HG2 H 1 0.990 0.000 . 1 . . . . . . . . 5719 1 165 . 1 1 20 20 LYS HG3 H 1 0.990 0.000 . 1 . . . . . . . . 5719 1 166 . 1 1 20 20 LYS CD C 13 29.393 0.000 . 1 . . . . . . . . 5719 1 167 . 1 1 20 20 LYS HD2 H 1 1.454 0.000 . 1 . . . . . . . . 5719 1 168 . 1 1 20 20 LYS HD3 H 1 1.454 0.000 . 1 . . . . . . . . 5719 1 169 . 1 1 20 20 LYS C C 13 178.350 0.000 . 1 . . . . . . . . 5719 1 170 . 1 1 21 21 ASN N N 15 115.431 0.072 . 1 . . . . . . . . 5719 1 171 . 1 1 21 21 ASN H H 1 7.934 0.015 . 1 . . . . . . . . 5719 1 172 . 1 1 21 21 ASN CA C 13 54.084 0.000 . 1 . . . . . . . . 5719 1 173 . 1 1 21 21 ASN HA H 1 4.668 0.000 . 1 . . . . . . . . 5719 1 174 . 1 1 21 21 ASN CB C 13 38.611 0.000 . 1 . . . . . . . . 5719 1 175 . 1 1 21 21 ASN HB2 H 1 2.786 0.000 . 1 . . . . . . . . 5719 1 176 . 1 1 21 21 ASN HB3 H 1 2.959 0.000 . 1 . . . . . . . . 5719 1 177 . 1 1 21 21 ASN C C 13 173.910 0.000 . 1 . . . . . . . . 5719 1 178 . 1 1 22 22 ARG N N 15 114.306 0.053 . 1 . . . . . . . . 5719 1 179 . 1 1 22 22 ARG H H 1 7.694 0.011 . 1 . . . . . . . . 5719 1 180 . 1 1 22 22 ARG CA C 13 54.809 0.000 . 1 . . . . . . . . 5719 1 181 . 1 1 22 22 ARG HA H 1 4.764 0.000 . 1 . . . . . . . . 5719 1 182 . 1 1 22 22 ARG CB C 13 30.955 0.000 . 1 . . . . . . . . 5719 1 183 . 1 1 22 22 ARG HB2 H 1 1.919 0.000 . 1 . . . . . . . . 5719 1 184 . 1 1 22 22 ARG HB3 H 1 1.919 0.000 . 1 . . . . . . . . 5719 1 185 . 1 1 22 22 ARG CG C 13 27.852 0.000 . 1 . . . . . . . . 5719 1 186 . 1 1 22 22 ARG HG2 H 1 1.414 0.000 . 1 . . . . . . . . 5719 1 187 . 1 1 22 22 ARG HG3 H 1 1.739 0.000 . 1 . . . . . . . . 5719 1 188 . 1 1 22 22 ARG C C 13 174.310 0.000 . 1 . . . . . . . . 5719 1 189 . 1 1 23 23 SER N N 15 115.306 0.053 . 1 . . . . . . . . 5719 1 190 . 1 1 23 23 SER H H 1 7.592 0.019 . 1 . . . . . . . . 5719 1 191 . 1 1 23 23 SER CA C 13 57.834 0.000 . 1 . . . . . . . . 5719 1 192 . 1 1 23 23 SER HA H 1 5.830 0.000 . 1 . . . . . . . . 5719 1 193 . 1 1 23 23 SER CB C 13 64.969 0.000 . 1 . . . . . . . . 5719 1 194 . 1 1 23 23 SER HB2 H 1 4.720 0.000 . 1 . . . . . . . . 5719 1 195 . 1 1 23 23 SER HB3 H 1 4.720 0.000 . 1 . . . . . . . . 5719 1 196 . 1 1 23 23 SER C C 13 173.650 0.000 . 1 . . . . . . . . 5719 1 197 . 1 1 24 24 VAL N N 15 125.306 0.053 . 1 . . . . . . . . 5719 1 198 . 1 1 24 24 VAL H H 1 9.764 0.010 . 1 . . . . . . . . 5719 1 199 . 1 1 24 24 VAL CA C 13 61.887 0.000 . 1 . . . . . . . . 5719 1 200 . 1 1 24 24 VAL HA H 1 4.746 0.000 . 1 . . . . . . . . 5719 1 201 . 1 1 24 24 VAL CB C 13 36.862 0.000 . 1 . . . . . . . . 5719 1 202 . 1 1 24 24 VAL HB H 1 2.159 0.000 . 1 . . . . . . . . 5719 1 203 . 1 1 24 24 VAL CG1 C 13 22.129 0.000 . 1 . . . . . . . . 5719 1 204 . 1 1 24 24 VAL HG11 H 1 1.075 0.000 . 1 . . . . . . . . 5719 1 205 . 1 1 24 24 VAL HG12 H 1 1.075 0.000 . 1 . . . . . . . . 5719 1 206 . 1 1 24 24 VAL HG13 H 1 1.075 0.000 . 1 . . . . . . . . 5719 1 207 . 1 1 24 24 VAL CG2 C 13 22.361 0.000 . 1 . . . . . . . . 5719 1 208 . 1 1 24 24 VAL HG21 H 1 0.959 0.000 . 1 . . . . . . . . 5719 1 209 . 1 1 24 24 VAL HG22 H 1 0.959 0.000 . 1 . . . . . . . . 5719 1 210 . 1 1 24 24 VAL HG23 H 1 0.959 0.000 . 1 . . . . . . . . 5719 1 211 . 1 1 24 24 VAL C C 13 173.120 0.000 . 1 . . . . . . . . 5719 1 212 . 1 1 25 25 TYR N N 15 129.003 0.000 . 1 . . . . . . . . 5719 1 213 . 1 1 25 25 TYR H H 1 9.871 0.000 . 1 . . . . . . . . 5719 1 214 . 1 1 25 25 TYR CA C 13 55.803 0.000 . 1 . . . . . . . . 5719 1 215 . 1 1 25 25 TYR HA H 1 5.484 0.000 . 1 . . . . . . . . 5719 1 216 . 1 1 25 25 TYR CB C 13 41.424 0.000 . 1 . . . . . . . . 5719 1 217 . 1 1 25 25 TYR HB2 H 1 2.719 0.000 . 1 . . . . . . . . 5719 1 218 . 1 1 25 25 TYR HB3 H 1 2.870 0.000 . 1 . . . . . . . . 5719 1 219 . 1 1 25 25 TYR CD1 C 13 131.749 0.000 . 1 . . . . . . . . 5719 1 220 . 1 1 25 25 TYR HD1 H 1 6.390 0.000 . 1 . . . . . . . . 5719 1 221 . 1 1 25 25 TYR CE1 C 13 117.370 0.000 . 1 . . . . . . . . 5719 1 222 . 1 1 25 25 TYR HE1 H 1 6.111 0.000 . 1 . . . . . . . . 5719 1 223 . 1 1 25 25 TYR CE2 C 13 117.370 0.000 . 1 . . . . . . . . 5719 1 224 . 1 1 25 25 TYR HE2 H 1 6.111 0.000 . 1 . . . . . . . . 5719 1 225 . 1 1 25 25 TYR CD2 C 13 131.749 0.000 . 1 . . . . . . . . 5719 1 226 . 1 1 25 25 TYR HD2 H 1 6.390 0.000 . 1 . . . . . . . . 5719 1 227 . 1 1 25 25 TYR C C 13 173.270 0.000 . 1 . . . . . . . . 5719 1 228 . 1 1 26 26 ILE N N 15 124.056 0.053 . 1 . . . . . . . . 5719 1 229 . 1 1 26 26 ILE H H 1 8.032 0.016 . 1 . . . . . . . . 5719 1 230 . 1 1 26 26 ILE CA C 13 59.635 0.000 . 1 . . . . . . . . 5719 1 231 . 1 1 26 26 ILE HA H 1 4.987 0.000 . 1 . . . . . . . . 5719 1 232 . 1 1 26 26 ILE CB C 13 41.580 0.000 . 1 . . . . . . . . 5719 1 233 . 1 1 26 26 ILE HB H 1 1.655 0.000 . 1 . . . . . . . . 5719 1 234 . 1 1 26 26 ILE CG2 C 13 20.174 0.000 . 1 . . . . . . . . 5719 1 235 . 1 1 26 26 ILE HG21 H 1 0.666 0.000 . 1 . . . . . . . . 5719 1 236 . 1 1 26 26 ILE HG22 H 1 0.666 0.000 . 1 . . . . . . . . 5719 1 237 . 1 1 26 26 ILE HG23 H 1 0.666 0.000 . 1 . . . . . . . . 5719 1 238 . 1 1 26 26 ILE CG1 C 13 27.361 0.000 . 1 . . . . . . . . 5719 1 239 . 1 1 26 26 ILE HG12 H 1 1.281 0.000 . 1 . . . . . . . . 5719 1 240 . 1 1 26 26 ILE HG13 H 1 1.821 0.000 . 1 . . . . . . . . 5719 1 241 . 1 1 26 26 ILE CD1 C 13 16.082 0.000 . 1 . . . . . . . . 5719 1 242 . 1 1 26 26 ILE HD11 H 1 1.203 0.000 . 1 . . . . . . . . 5719 1 243 . 1 1 26 26 ILE HD12 H 1 1.203 0.000 . 1 . . . . . . . . 5719 1 244 . 1 1 26 26 ILE HD13 H 1 1.203 0.000 . 1 . . . . . . . . 5719 1 245 . 1 1 26 26 ILE C C 13 173.770 0.000 . 1 . . . . . . . . 5719 1 246 . 1 1 27 27 LYS N N 15 126.556 0.053 . 1 . . . . . . . . 5719 1 247 . 1 1 27 27 LYS H H 1 9.072 0.004 . 1 . . . . . . . . 5719 1 248 . 1 1 27 27 LYS CA C 13 54.553 0.000 . 1 . . . . . . . . 5719 1 249 . 1 1 27 27 LYS HA H 1 4.403 0.000 . 1 . . . . . . . . 5719 1 250 . 1 1 28 28 GLY H H 1 7.520 0.000 . 1 . . . . . . . . 5719 1 251 . 1 1 28 28 GLY CA C 13 44.537 0.000 . 1 . . . . . . . . 5719 1 252 . 1 1 28 28 GLY HA2 H 1 3.510 0.000 . 1 . . . . . . . . 5719 1 253 . 1 1 28 28 GLY HA3 H 1 4.380 0.000 . 1 . . . . . . . . 5719 1 254 . 1 1 28 28 GLY C C 13 172.950 0.000 . 1 . . . . . . . . 5719 1 255 . 1 1 29 29 PHE N N 15 118.753 0.000 . 1 . . . . . . . . 5719 1 256 . 1 1 29 29 PHE H H 1 8.110 0.001 . 1 . . . . . . . . 5719 1 257 . 1 1 29 29 PHE CA C 13 56.740 0.000 . 1 . . . . . . . . 5719 1 258 . 1 1 29 29 PHE HA H 1 3.936 0.000 . 1 . . . . . . . . 5719 1 259 . 1 1 29 29 PHE CB C 13 38.480 0.000 . 1 . . . . . . . . 5719 1 260 . 1 1 29 29 PHE HB2 H 1 2.292 0.000 . 1 . . . . . . . . 5719 1 261 . 1 1 29 29 PHE HB3 H 1 2.642 0.000 . 1 . . . . . . . . 5719 1 262 . 1 1 29 29 PHE CD1 C 13 129.718 0.000 . 1 . . . . . . . . 5719 1 263 . 1 1 29 29 PHE HD1 H 1 6.146 0.000 . 1 . . . . . . . . 5719 1 264 . 1 1 29 29 PHE CE1 C 13 130.499 0.000 . 1 . . . . . . . . 5719 1 265 . 1 1 29 29 PHE HE1 H 1 6.387 0.000 . 1 . . . . . . . . 5719 1 266 . 1 1 29 29 PHE CZ C 13 128.620 0.000 . 1 . . . . . . . . 5719 1 267 . 1 1 29 29 PHE HZ H 1 6.571 0.000 . 1 . . . . . . . . 5719 1 268 . 1 1 29 29 PHE CE2 C 13 130.499 0.000 . 1 . . . . . . . . 5719 1 269 . 1 1 29 29 PHE HE2 H 1 6.387 0.000 . 1 . . . . . . . . 5719 1 270 . 1 1 29 29 PHE CD2 C 13 129.718 0.000 . 1 . . . . . . . . 5719 1 271 . 1 1 29 29 PHE HD2 H 1 6.146 0.000 . 1 . . . . . . . . 5719 1 272 . 1 1 30 30 PRO CD C 13 50.490 0.000 . 1 . . . . . . . . 5719 1 273 . 1 1 30 30 PRO CA C 13 62.209 0.000 . 1 . . . . . . . . 5719 1 274 . 1 1 30 30 PRO HA H 1 4.631 0.000 . 1 . . . . . . . . 5719 1 275 . 1 1 30 30 PRO CB C 13 32.043 0.000 . 1 . . . . . . . . 5719 1 276 . 1 1 30 30 PRO HB2 H 1 2.295 0.000 . 1 . . . . . . . . 5719 1 277 . 1 1 30 30 PRO HB3 H 1 2.498 0.000 . 1 . . . . . . . . 5719 1 278 . 1 1 30 30 PRO CG C 13 27.745 0.000 . 1 . . . . . . . . 5719 1 279 . 1 1 30 30 PRO HG2 H 1 2.332 0.000 . 1 . . . . . . . . 5719 1 280 . 1 1 30 30 PRO HG3 H 1 2.332 0.000 . 1 . . . . . . . . 5719 1 281 . 1 1 30 30 PRO HD2 H 1 3.459 0.000 . 1 . . . . . . . . 5719 1 282 . 1 1 30 30 PRO HD3 H 1 3.954 0.000 . 1 . . . . . . . . 5719 1 283 . 1 1 30 30 PRO C C 13 178.070 0.000 . 1 . . . . . . . . 5719 1 284 . 1 1 31 31 THR N N 15 111.538 0.050 . 1 . . . . . . . . 5719 1 285 . 1 1 31 31 THR H H 1 8.585 0.008 . 1 . . . . . . . . 5719 1 286 . 1 1 31 31 THR CA C 13 64.397 0.000 . 1 . . . . . . . . 5719 1 287 . 1 1 31 31 THR HA H 1 3.814 0.000 . 1 . . . . . . . . 5719 1 288 . 1 1 31 31 THR CB C 13 67.991 0.000 . 1 . . . . . . . . 5719 1 289 . 1 1 31 31 THR HB H 1 4.537 0.000 . 1 . . . . . . . . 5719 1 290 . 1 1 31 31 THR CG2 C 13 21.840 0.000 . 1 . . . . . . . . 5719 1 291 . 1 1 31 31 THR HG21 H 1 1.134 0.000 . 1 . . . . . . . . 5719 1 292 . 1 1 31 31 THR HG22 H 1 1.134 0.000 . 1 . . . . . . . . 5719 1 293 . 1 1 31 31 THR HG23 H 1 1.134 0.000 . 1 . . . . . . . . 5719 1 294 . 1 1 31 31 THR C C 13 174.590 0.000 . 1 . . . . . . . . 5719 1 295 . 1 1 32 32 ASP N N 15 117.431 0.072 . 1 . . . . . . . . 5719 1 296 . 1 1 32 32 ASP H H 1 8.236 0.014 . 1 . . . . . . . . 5719 1 297 . 1 1 32 32 ASP CA C 13 52.517 0.000 . 1 . . . . . . . . 5719 1 298 . 1 1 32 32 ASP HA H 1 4.715 0.000 . 1 . . . . . . . . 5719 1 299 . 1 1 32 32 ASP CB C 13 39.674 0.000 . 1 . . . . . . . . 5719 1 300 . 1 1 32 32 ASP HB2 H 1 2.969 0.000 . 1 . . . . . . . . 5719 1 301 . 1 1 32 32 ASP HB3 H 1 2.645 0.000 . 1 . . . . . . . . 5719 1 302 . 1 1 32 32 ASP C C 13 176.450 0.000 . 1 . . . . . . . . 5719 1 303 . 1 1 33 33 ALA N N 15 124.181 0.072 . 1 . . . . . . . . 5719 1 304 . 1 1 33 33 ALA H H 1 7.700 0.011 . 1 . . . . . . . . 5719 1 305 . 1 1 33 33 ALA CA C 13 52.557 0.000 . 1 . . . . . . . . 5719 1 306 . 1 1 33 33 ALA HA H 1 4.463 0.000 . 1 . . . . . . . . 5719 1 307 . 1 1 33 33 ALA CB C 13 18.447 0.000 . 1 . . . . . . . . 5719 1 308 . 1 1 33 33 ALA HB1 H 1 1.329 0.000 . 1 . . . . . . . . 5719 1 309 . 1 1 33 33 ALA HB2 H 1 1.329 0.000 . 1 . . . . . . . . 5719 1 310 . 1 1 33 33 ALA HB3 H 1 1.329 0.000 . 1 . . . . . . . . 5719 1 311 . 1 1 33 33 ALA C C 13 176.440 0.000 . 1 . . . . . . . . 5719 1 312 . 1 1 34 34 THR N N 15 111.056 0.053 . 1 . . . . . . . . 5719 1 313 . 1 1 34 34 THR H H 1 8.516 0.016 . 1 . . . . . . . . 5719 1 314 . 1 1 34 34 THR CA C 13 58.772 0.000 . 1 . . . . . . . . 5719 1 315 . 1 1 34 34 THR HA H 1 4.350 0.000 . 1 . . . . . . . . 5719 1 316 . 1 1 34 34 THR CB C 13 71.741 0.000 . 1 . . . . . . . . 5719 1 317 . 1 1 34 34 THR HB H 1 4.582 0.000 . 1 . . . . . . . . 5719 1 318 . 1 1 34 34 THR CG2 C 13 21.736 0.000 . 1 . . . . . . . . 5719 1 319 . 1 1 34 34 THR HG21 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 320 . 1 1 34 34 THR HG22 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 321 . 1 1 34 34 THR HG23 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 322 . 1 1 34 34 THR C C 13 175.220 0.000 . 1 . . . . . . . . 5719 1 323 . 1 1 35 35 LEU N N 15 121.253 0.000 . 1 . . . . . . . . 5719 1 324 . 1 1 35 35 LEU H H 1 8.606 0.000 . 1 . . . . . . . . 5719 1 325 . 1 1 35 35 LEU CA C 13 57.949 0.000 . 1 . . . . . . . . 5719 1 326 . 1 1 35 35 LEU HA H 1 3.899 0.000 . 1 . . . . . . . . 5719 1 327 . 1 1 35 35 LEU CB C 13 40.799 0.000 . 1 . . . . . . . . 5719 1 328 . 1 1 35 35 LEU HB2 H 1 1.655 0.000 . 1 . . . . . . . . 5719 1 329 . 1 1 35 35 LEU HB3 H 1 1.549 0.000 . 1 . . . . . . . . 5719 1 330 . 1 1 35 35 LEU CG C 13 27.049 0.000 . 1 . . . . . . . . 5719 1 331 . 1 1 35 35 LEU HG H 1 1.459 0.000 . 1 . . . . . . . . 5719 1 332 . 1 1 35 35 LEU CD1 C 13 22.830 0.000 . 1 . . . . . . . . 5719 1 333 . 1 1 35 35 LEU HD11 H 1 0.808 0.000 . 1 . . . . . . . . 5719 1 334 . 1 1 35 35 LEU HD12 H 1 0.808 0.000 . 1 . . . . . . . . 5719 1 335 . 1 1 35 35 LEU HD13 H 1 0.808 0.000 . 1 . . . . . . . . 5719 1 336 . 1 1 35 35 LEU CD2 C 13 25.330 0.000 . 1 . . . . . . . . 5719 1 337 . 1 1 35 35 LEU HD21 H 1 0.880 0.000 . 1 . . . . . . . . 5719 1 338 . 1 1 35 35 LEU HD22 H 1 0.880 0.000 . 1 . . . . . . . . 5719 1 339 . 1 1 35 35 LEU HD23 H 1 0.880 0.000 . 1 . . . . . . . . 5719 1 340 . 1 1 35 35 LEU C C 13 178.440 0.000 . 1 . . . . . . . . 5719 1 341 . 1 1 36 36 ASP N N 15 116.181 0.072 . 1 . . . . . . . . 5719 1 342 . 1 1 36 36 ASP H H 1 7.835 0.016 . 1 . . . . . . . . 5719 1 343 . 1 1 36 36 ASP CA C 13 57.522 0.000 . 1 . . . . . . . . 5719 1 344 . 1 1 36 36 ASP HA H 1 4.309 0.000 . 1 . . . . . . . . 5719 1 345 . 1 1 36 36 ASP CB C 13 40.211 0.000 . 1 . . . . . . . . 5719 1 346 . 1 1 36 36 ASP HB2 H 1 2.451 0.000 . 1 . . . . . . . . 5719 1 347 . 1 1 36 36 ASP HB3 H 1 2.633 0.000 . 1 . . . . . . . . 5719 1 348 . 1 1 36 36 ASP C C 13 178.530 0.000 . 1 . . . . . . . . 5719 1 349 . 1 1 37 37 ASP N N 15 121.306 0.053 . 1 . . . . . . . . 5719 1 350 . 1 1 37 37 ASP H H 1 7.749 0.011 . 1 . . . . . . . . 5719 1 351 . 1 1 37 37 ASP CA C 13 57.365 0.000 . 1 . . . . . . . . 5719 1 352 . 1 1 37 37 ASP HA H 1 4.383 0.000 . 1 . . . . . . . . 5719 1 353 . 1 1 37 37 ASP CB C 13 40.486 0.000 . 1 . . . . . . . . 5719 1 354 . 1 1 37 37 ASP HB2 H 1 3.040 0.000 . 1 . . . . . . . . 5719 1 355 . 1 1 37 37 ASP HB3 H 1 3.109 0.000 . 1 . . . . . . . . 5719 1 356 . 1 1 37 37 ASP C C 13 179.420 0.000 . 1 . . . . . . . . 5719 1 357 . 1 1 38 38 ILE N N 15 122.556 0.053 . 1 . . . . . . . . 5719 1 358 . 1 1 38 38 ILE H H 1 7.788 0.016 . 1 . . . . . . . . 5719 1 359 . 1 1 38 38 ILE CA C 13 65.178 0.000 . 1 . . . . . . . . 5719 1 360 . 1 1 38 38 ILE HA H 1 3.471 0.000 . 1 . . . . . . . . 5719 1 361 . 1 1 38 38 ILE CB C 13 37.830 0.000 . 1 . . . . . . . . 5719 1 362 . 1 1 38 38 ILE HB H 1 1.604 0.000 . 1 . . . . . . . . 5719 1 363 . 1 1 38 38 ILE CG2 C 13 17.383 0.000 . 1 . . . . . . . . 5719 1 364 . 1 1 38 38 ILE HG21 H 1 0.452 0.000 . 1 . . . . . . . . 5719 1 365 . 1 1 38 38 ILE HG22 H 1 0.452 0.000 . 1 . . . . . . . . 5719 1 366 . 1 1 38 38 ILE HG23 H 1 0.452 0.000 . 1 . . . . . . . . 5719 1 367 . 1 1 38 38 ILE CG1 C 13 28.617 0.000 . 1 . . . . . . . . 5719 1 368 . 1 1 38 38 ILE HG12 H 1 1.121 0.000 . 1 . . . . . . . . 5719 1 369 . 1 1 38 38 ILE HG13 H 1 -0.144 0.000 . 1 . . . . . . . . 5719 1 370 . 1 1 38 38 ILE CD1 C 13 12.491 0.000 . 1 . . . . . . . . 5719 1 371 . 1 1 38 38 ILE HD11 H 1 -0.183 0.000 . 1 . . . . . . . . 5719 1 372 . 1 1 38 38 ILE HD12 H 1 -0.183 0.000 . 1 . . . . . . . . 5719 1 373 . 1 1 38 38 ILE HD13 H 1 -0.183 0.000 . 1 . . . . . . . . 5719 1 374 . 1 1 38 38 ILE C C 13 177.550 0.000 . 1 . . . . . . . . 5719 1 375 . 1 1 39 39 LYS N N 15 120.431 0.072 . 1 . . . . . . . . 5719 1 376 . 1 1 39 39 LYS H H 1 9.024 0.012 . 1 . . . . . . . . 5719 1 377 . 1 1 39 39 LYS CA C 13 60.453 0.000 . 1 . . . . . . . . 5719 1 378 . 1 1 39 39 LYS HA H 1 3.756 0.000 . 1 . . . . . . . . 5719 1 379 . 1 1 39 39 LYS CB C 13 32.518 0.000 . 1 . . . . . . . . 5719 1 380 . 1 1 39 39 LYS HB2 H 1 1.815 0.000 . 1 . . . . . . . . 5719 1 381 . 1 1 39 39 LYS HB3 H 1 1.881 0.000 . 1 . . . . . . . . 5719 1 382 . 1 1 39 39 LYS CG C 13 25.799 0.000 . 1 . . . . . . . . 5719 1 383 . 1 1 39 39 LYS HG2 H 1 1.295 0.000 . 1 . . . . . . . . 5719 1 384 . 1 1 39 39 LYS HG3 H 1 1.494 0.000 . 1 . . . . . . . . 5719 1 385 . 1 1 39 39 LYS CD C 13 29.549 0.000 . 1 . . . . . . . . 5719 1 386 . 1 1 39 39 LYS HD2 H 1 1.630 0.000 . 1 . . . . . . . . 5719 1 387 . 1 1 39 39 LYS HD3 H 1 1.630 0.000 . 1 . . . . . . . . 5719 1 388 . 1 1 39 39 LYS C C 13 179.440 0.000 . 1 . . . . . . . . 5719 1 389 . 1 1 40 40 GLU N N 15 118.306 0.053 . 1 . . . . . . . . 5719 1 390 . 1 1 40 40 GLU H H 1 8.062 0.014 . 1 . . . . . . . . 5719 1 391 . 1 1 40 40 GLU CA C 13 59.084 0.000 . 1 . . . . . . . . 5719 1 392 . 1 1 40 40 GLU HA H 1 4.121 0.000 . 1 . . . . . . . . 5719 1 393 . 1 1 40 40 GLU CB C 13 29.393 0.000 . 1 . . . . . . . . 5719 1 394 . 1 1 40 40 GLU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5719 1 395 . 1 1 40 40 GLU HB3 H 1 2.242 0.000 . 1 . . . . . . . . 5719 1 396 . 1 1 40 40 GLU CG C 13 36.101 0.000 . 1 . . . . . . . . 5719 1 397 . 1 1 40 40 GLU HG2 H 1 2.345 0.000 . 1 . . . . . . . . 5719 1 398 . 1 1 40 40 GLU HG3 H 1 2.481 0.000 . 1 . . . . . . . . 5719 1 399 . 1 1 40 40 GLU C C 13 178.870 0.000 . 1 . . . . . . . . 5719 1 400 . 1 1 41 41 TRP N N 15 121.431 0.072 . 1 . . . . . . . . 5719 1 401 . 1 1 41 41 TRP H H 1 7.919 0.016 . 1 . . . . . . . . 5719 1 402 . 1 1 41 41 TRP CA C 13 61.584 0.000 . 1 . . . . . . . . 5719 1 403 . 1 1 41 41 TRP HA H 1 4.356 0.000 . 1 . . . . . . . . 5719 1 404 . 1 1 41 41 TRP CB C 13 28.611 0.000 . 1 . . . . . . . . 5719 1 405 . 1 1 41 41 TRP HB2 H 1 3.724 0.000 . 1 . . . . . . . . 5719 1 406 . 1 1 41 41 TRP HB3 H 1 3.861 0.000 . 1 . . . . . . . . 5719 1 407 . 1 1 41 41 TRP CD1 C 13 127.995 0.000 . 1 . . . . . . . . 5719 1 408 . 1 1 41 41 TRP CE3 C 13 120.182 0.000 . 1 . . . . . . . . 5719 1 409 . 1 1 41 41 TRP CE2 C 13 177.710 0.000 . 1 . . . . . . . . 5719 1 410 . 1 1 41 41 TRP NE1 N 15 130.443 0.000 . 1 . . . . . . . . 5719 1 411 . 1 1 41 41 TRP HD1 H 1 7.726 0.000 . 1 . . . . . . . . 5719 1 412 . 1 1 41 41 TRP HE3 H 1 7.163 0.000 . 1 . . . . . . . . 5719 1 413 . 1 1 41 41 TRP CZ3 C 13 128.464 0.000 . 1 . . . . . . . . 5719 1 414 . 1 1 41 41 TRP CZ2 C 13 115.182 0.000 . 1 . . . . . . . . 5719 1 415 . 1 1 41 41 TRP HE1 H 1 10.415 0.000 . 1 . . . . . . . . 5719 1 416 . 1 1 41 41 TRP HZ3 H 1 7.427 0.003 . 1 . . . . . . . . 5719 1 417 . 1 1 41 41 TRP CH2 C 13 123.307 0.000 . 1 . . . . . . . . 5719 1 418 . 1 1 41 41 TRP HZ2 H 1 7.415 0.000 . 1 . . . . . . . . 5719 1 419 . 1 1 41 41 TRP HH2 H 1 7.126 0.000 . 1 . . . . . . . . 5719 1 420 . 1 1 41 41 TRP C C 13 178.497 0.000 . 1 . . . . . . . . 5719 1 421 . 1 1 42 42 LEU N N 15 116.503 0.000 . 1 . . . . . . . . 5719 1 422 . 1 1 42 42 LEU H H 1 8.248 0.000 . 1 . . . . . . . . 5719 1 423 . 1 1 42 42 LEU CA C 13 56.115 0.000 . 1 . . . . . . . . 5719 1 424 . 1 1 42 42 LEU HA H 1 3.799 0.000 . 1 . . . . . . . . 5719 1 425 . 1 1 42 42 LEU CB C 13 43.143 0.000 . 1 . . . . . . . . 5719 1 426 . 1 1 42 42 LEU HB2 H 1 1.480 0.000 . 1 . . . . . . . . 5719 1 427 . 1 1 42 42 LEU HB3 H 1 1.943 0.000 . 1 . . . . . . . . 5719 1 428 . 1 1 42 42 LEU CD1 C 13 23.098 0.000 . 1 . . . . . . . . 5719 1 429 . 1 1 42 42 LEU HD11 H 1 0.796 0.000 . 1 . . . . . . . . 5719 1 430 . 1 1 42 42 LEU HD12 H 1 0.796 0.000 . 1 . . . . . . . . 5719 1 431 . 1 1 42 42 LEU HD13 H 1 0.796 0.000 . 1 . . . . . . . . 5719 1 432 . 1 1 42 42 LEU CD2 C 13 27.205 0.000 . 1 . . . . . . . . 5719 1 433 . 1 1 42 42 LEU HD21 H 1 0.744 0.000 . 1 . . . . . . . . 5719 1 434 . 1 1 42 42 LEU HD22 H 1 0.744 0.000 . 1 . . . . . . . . 5719 1 435 . 1 1 42 42 LEU HD23 H 1 0.744 0.000 . 1 . . . . . . . . 5719 1 436 . 1 1 42 42 LEU C C 13 178.500 0.000 . 1 . . . . . . . . 5719 1 437 . 1 1 43 43 GLU N N 15 119.181 0.072 . 1 . . . . . . . . 5719 1 438 . 1 1 43 43 GLU H H 1 7.541 0.017 . 1 . . . . . . . . 5719 1 439 . 1 1 43 43 GLU CA C 13 59.397 0.000 . 1 . . . . . . . . 5719 1 440 . 1 1 43 43 GLU HA H 1 4.111 0.000 . 1 . . . . . . . . 5719 1 441 . 1 1 43 43 GLU CB C 13 29.549 0.000 . 1 . . . . . . . . 5719 1 442 . 1 1 43 43 GLU HB2 H 1 2.053 0.000 . 1 . . . . . . . . 5719 1 443 . 1 1 43 43 GLU HB3 H 1 2.211 0.000 . 1 . . . . . . . . 5719 1 444 . 1 1 43 43 GLU CG C 13 35.955 0.000 . 1 . . . . . . . . 5719 1 445 . 1 1 43 43 GLU HG2 H 1 2.441 0.000 . 1 . . . . . . . . 5719 1 446 . 1 1 43 43 GLU HG3 H 1 2.549 0.000 . 1 . . . . . . . . 5719 1 447 . 1 1 43 43 GLU C C 13 177.210 0.000 . 1 . . . . . . . . 5719 1 448 . 1 1 44 44 ASP N N 15 114.306 0.053 . 1 . . . . . . . . 5719 1 449 . 1 1 44 44 ASP H H 1 7.819 0.021 . 1 . . . . . . . . 5719 1 450 . 1 1 44 44 ASP CA C 13 53.459 0.000 . 1 . . . . . . . . 5719 1 451 . 1 1 44 44 ASP HA H 1 4.700 0.000 . 1 . . . . . . . . 5719 1 452 . 1 1 44 44 ASP CB C 13 40.174 0.000 . 1 . . . . . . . . 5719 1 453 . 1 1 44 44 ASP HB2 H 1 2.604 0.000 . 1 . . . . . . . . 5719 1 454 . 1 1 44 44 ASP HB3 H 1 2.886 0.000 . 1 . . . . . . . . 5719 1 455 . 1 1 44 44 ASP C C 13 176.830 0.000 . 1 . . . . . . . . 5719 1 456 . 1 1 45 45 LYS N N 15 117.931 0.072 . 1 . . . . . . . . 5719 1 457 . 1 1 45 45 LYS H H 1 7.934 0.012 . 1 . . . . . . . . 5719 1 458 . 1 1 45 45 LYS CA C 13 54.709 0.000 . 1 . . . . . . . . 5719 1 459 . 1 1 45 45 LYS HA H 1 4.418 0.000 . 1 . . . . . . . . 5719 1 460 . 1 1 45 45 LYS CB C 13 31.736 0.000 . 1 . . . . . . . . 5719 1 461 . 1 1 45 45 LYS HB2 H 1 1.793 0.000 . 1 . . . . . . . . 5719 1 462 . 1 1 45 45 LYS HB3 H 1 2.026 0.000 . 1 . . . . . . . . 5719 1 463 . 1 1 45 45 LYS CG C 13 27.205 0.000 . 1 . . . . . . . . 5719 1 464 . 1 1 45 45 LYS HG2 H 1 1.224 0.000 . 1 . . . . . . . . 5719 1 465 . 1 1 45 45 LYS HG3 H 1 1.368 0.000 . 1 . . . . . . . . 5719 1 466 . 1 1 45 45 LYS CE C 13 42.348 0.000 . 1 . . . . . . . . 5719 1 467 . 1 1 45 45 LYS HE2 H 1 2.097 0.000 . 1 . . . . . . . . 5719 1 468 . 1 1 45 45 LYS HE3 H 1 2.618 0.000 . 1 . . . . . . . . 5719 1 469 . 1 1 45 45 LYS C C 13 175.960 0.000 . 1 . . . . . . . . 5719 1 470 . 1 1 46 46 GLY N N 15 106.306 0.053 . 1 . . . . . . . . 5719 1 471 . 1 1 46 46 GLY H H 1 7.628 0.016 . 1 . . . . . . . . 5719 1 472 . 1 1 46 46 GLY CA C 13 43.907 0.000 . 1 . . . . . . . . 5719 1 473 . 1 1 46 46 GLY HA2 H 1 3.828 0.000 . 1 . . . . . . . . 5719 1 474 . 1 1 46 46 GLY HA3 H 1 4.284 0.000 . 1 . . . . . . . . 5719 1 475 . 1 1 46 46 GLY C C 13 171.560 0.000 . 1 . . . . . . . . 5719 1 476 . 1 1 47 47 GLN N N 15 119.503 0.000 . 1 . . . . . . . . 5719 1 477 . 1 1 47 47 GLN H H 1 8.574 0.000 . 1 . . . . . . . . 5719 1 478 . 1 1 47 47 GLN CA C 13 55.647 0.000 . 1 . . . . . . . . 5719 1 479 . 1 1 47 47 GLN HA H 1 4.339 0.000 . 1 . . . . . . . . 5719 1 480 . 1 1 47 47 GLN CB C 13 28.149 0.000 . 1 . . . . . . . . 5719 1 481 . 1 1 47 47 GLN HB2 H 1 2.059 0.000 . 1 . . . . . . . . 5719 1 482 . 1 1 47 47 GLN HB3 H 1 2.059 0.000 . 1 . . . . . . . . 5719 1 483 . 1 1 47 47 GLN CG C 13 34.015 0.000 . 1 . . . . . . . . 5719 1 484 . 1 1 47 47 GLN HG2 H 1 2.286 0.000 . 1 . . . . . . . . 5719 1 485 . 1 1 47 47 GLN HG3 H 1 2.286 0.000 . 1 . . . . . . . . 5719 1 486 . 1 1 47 47 GLN C C 13 174.520 0.000 . 1 . . . . . . . . 5719 1 487 . 1 1 48 48 VAL N N 15 124.681 0.072 . 1 . . . . . . . . 5719 1 488 . 1 1 48 48 VAL H H 1 8.087 0.012 . 1 . . . . . . . . 5719 1 489 . 1 1 48 48 VAL CA C 13 61.428 0.000 . 1 . . . . . . . . 5719 1 490 . 1 1 48 48 VAL HA H 1 3.954 0.000 . 1 . . . . . . . . 5719 1 491 . 1 1 48 48 VAL CB C 13 32.986 0.000 . 1 . . . . . . . . 5719 1 492 . 1 1 48 48 VAL HB H 1 1.762 0.000 . 1 . . . . . . . . 5719 1 493 . 1 1 48 48 VAL CG1 C 13 21.268 0.000 . 1 . . . . . . . . 5719 1 494 . 1 1 48 48 VAL HG11 H 1 0.370 0.000 . 1 . . . . . . . . 5719 1 495 . 1 1 48 48 VAL HG12 H 1 0.370 0.000 . 1 . . . . . . . . 5719 1 496 . 1 1 48 48 VAL HG13 H 1 0.370 0.000 . 1 . . . . . . . . 5719 1 497 . 1 1 48 48 VAL CG2 C 13 22.275 0.000 . 1 . . . . . . . . 5719 1 498 . 1 1 48 48 VAL HG21 H 1 0.428 0.000 . 1 . . . . . . . . 5719 1 499 . 1 1 48 48 VAL HG22 H 1 0.428 0.000 . 1 . . . . . . . . 5719 1 500 . 1 1 48 48 VAL HG23 H 1 0.428 0.000 . 1 . . . . . . . . 5719 1 501 . 1 1 48 48 VAL C C 13 176.260 0.000 . 1 . . . . . . . . 5719 1 502 . 1 1 49 49 LEU N N 15 125.003 0.000 . 1 . . . . . . . . 5719 1 503 . 1 1 49 49 LEU H H 1 8.984 0.000 . 1 . . . . . . . . 5719 1 504 . 1 1 49 49 LEU CA C 13 54.929 0.000 . 1 . . . . . . . . 5719 1 505 . 1 1 49 49 LEU HA H 1 4.395 0.000 . 1 . . . . . . . . 5719 1 506 . 1 1 49 49 LEU CB C 13 43.143 0.000 . 1 . . . . . . . . 5719 1 507 . 1 1 49 49 LEU HB2 H 1 1.510 0.000 . 1 . . . . . . . . 5719 1 508 . 1 1 49 49 LEU HB3 H 1 1.362 0.000 . 1 . . . . . . . . 5719 1 509 . 1 1 49 49 LEU CG C 13 27.205 0.000 . 1 . . . . . . . . 5719 1 510 . 1 1 49 49 LEU HG H 1 1.370 0.000 . 1 . . . . . . . . 5719 1 511 . 1 1 49 49 LEU CD1 C 13 25.729 0.000 . 1 . . . . . . . . 5719 1 512 . 1 1 49 49 LEU HD11 H 1 0.874 0.000 . 1 . . . . . . . . 5719 1 513 . 1 1 49 49 LEU HD12 H 1 0.874 0.000 . 1 . . . . . . . . 5719 1 514 . 1 1 49 49 LEU HD13 H 1 0.874 0.000 . 1 . . . . . . . . 5719 1 515 . 1 1 49 49 LEU CD2 C 13 22.361 0.000 . 1 . . . . . . . . 5719 1 516 . 1 1 49 49 LEU HD21 H 1 0.803 0.000 . 1 . . . . . . . . 5719 1 517 . 1 1 49 49 LEU HD22 H 1 0.803 0.000 . 1 . . . . . . . . 5719 1 518 . 1 1 49 49 LEU HD23 H 1 0.803 0.000 . 1 . . . . . . . . 5719 1 519 . 1 1 49 49 LEU C C 13 176.860 0.000 . 1 . . . . . . . . 5719 1 520 . 1 1 50 50 ASN N N 15 114.556 0.053 . 1 . . . . . . . . 5719 1 521 . 1 1 50 50 ASN H H 1 7.207 0.015 . 1 . . . . . . . . 5719 1 522 . 1 1 50 50 ASN CA C 13 53.763 0.000 . 1 . . . . . . . . 5719 1 523 . 1 1 50 50 ASN HA H 1 4.764 0.000 . 1 . . . . . . . . 5719 1 524 . 1 1 50 50 ASN CB C 13 42.373 0.000 . 1 . . . . . . . . 5719 1 525 . 1 1 50 50 ASN HB2 H 1 2.356 0.000 . 1 . . . . . . . . 5719 1 526 . 1 1 50 50 ASN HB3 H 1 2.638 0.000 . 1 . . . . . . . . 5719 1 527 . 1 1 50 50 ASN C C 13 172.450 0.000 . 1 . . . . . . . . 5719 1 528 . 1 1 51 51 ILE N N 15 123.306 0.053 . 1 . . . . . . . . 5719 1 529 . 1 1 51 51 ILE H H 1 8.305 0.009 . 1 . . . . . . . . 5719 1 530 . 1 1 51 51 ILE CA C 13 60.647 0.000 . 1 . . . . . . . . 5719 1 531 . 1 1 51 51 ILE HA H 1 4.465 0.000 . 1 . . . . . . . . 5719 1 532 . 1 1 51 51 ILE CB C 13 41.526 0.000 . 1 . . . . . . . . 5719 1 533 . 1 1 51 51 ILE HB H 1 1.508 0.000 . 1 . . . . . . . . 5719 1 534 . 1 1 51 51 ILE CG2 C 13 17.205 0.000 . 1 . . . . . . . . 5719 1 535 . 1 1 51 51 ILE HG21 H 1 0.561 0.000 . 1 . . . . . . . . 5719 1 536 . 1 1 51 51 ILE HG22 H 1 0.561 0.000 . 1 . . . . . . . . 5719 1 537 . 1 1 51 51 ILE HG23 H 1 0.561 0.000 . 1 . . . . . . . . 5719 1 538 . 1 1 51 51 ILE CG1 C 13 27.674 0.000 . 1 . . . . . . . . 5719 1 539 . 1 1 51 51 ILE HG12 H 1 0.583 0.000 . 1 . . . . . . . . 5719 1 540 . 1 1 51 51 ILE HG13 H 1 1.392 0.000 . 1 . . . . . . . . 5719 1 541 . 1 1 51 51 ILE CD1 C 13 14.861 0.000 . 1 . . . . . . . . 5719 1 542 . 1 1 51 51 ILE HD11 H 1 0.698 0.000 . 1 . . . . . . . . 5719 1 543 . 1 1 51 51 ILE HD12 H 1 0.698 0.000 . 1 . . . . . . . . 5719 1 544 . 1 1 51 51 ILE HD13 H 1 0.698 0.000 . 1 . . . . . . . . 5719 1 545 . 1 1 51 51 ILE C C 13 174.090 0.000 . 1 . . . . . . . . 5719 1 546 . 1 1 52 52 GLN N N 15 126.681 0.072 . 1 . . . . . . . . 5719 1 547 . 1 1 52 52 GLN H H 1 9.167 0.003 . 1 . . . . . . . . 5719 1 548 . 1 1 52 52 GLN CA C 13 54.045 0.000 . 1 . . . . . . . . 5719 1 549 . 1 1 52 52 GLN HA H 1 4.715 0.000 . 1 . . . . . . . . 5719 1 550 . 1 1 52 52 GLN CB C 13 31.111 0.000 . 1 . . . . . . . . 5719 1 551 . 1 1 52 52 GLN HB2 H 1 2.122 0.000 . 1 . . . . . . . . 5719 1 552 . 1 1 52 52 GLN HB3 H 1 2.251 0.000 . 1 . . . . . . . . 5719 1 553 . 1 1 52 52 GLN CG C 13 33.299 0.000 . 1 . . . . . . . . 5719 1 554 . 1 1 52 52 GLN HG2 H 1 2.257 0.000 . 1 . . . . . . . . 5719 1 555 . 1 1 52 52 GLN HG3 H 1 2.448 0.000 . 1 . . . . . . . . 5719 1 556 . 1 1 52 52 GLN C C 13 175.520 0.000 . 1 . . . . . . . . 5719 1 557 . 1 1 53 53 MET N N 15 125.306 0.053 . 1 . . . . . . . . 5719 1 558 . 1 1 53 53 MET H H 1 9.062 0.016 . 1 . . . . . . . . 5719 1 559 . 1 1 53 53 MET CA C 13 55.803 0.000 . 1 . . . . . . . . 5719 1 560 . 1 1 53 53 MET HA H 1 4.325 0.000 . 1 . . . . . . . . 5719 1 561 . 1 1 53 53 MET CB C 13 31.290 0.000 . 1 . . . . . . . . 5719 1 562 . 1 1 53 53 MET HB2 H 1 1.813 0.000 . 1 . . . . . . . . 5719 1 563 . 1 1 53 53 MET HB3 H 1 2.244 0.000 . 1 . . . . . . . . 5719 1 564 . 1 1 53 53 MET C C 13 175.250 0.000 . 1 . . . . . . . . 5719 1 565 . 1 1 54 54 ARG N N 15 125.753 0.000 . 1 . . . . . . . . 5719 1 566 . 1 1 54 54 ARG H H 1 8.303 0.000 . 1 . . . . . . . . 5719 1 567 . 1 1 54 54 ARG CA C 13 57.522 0.000 . 1 . . . . . . . . 5719 1 568 . 1 1 54 54 ARG HA H 1 4.407 0.000 . 1 . . . . . . . . 5719 1 569 . 1 1 54 54 ARG CB C 13 32.049 0.000 . 1 . . . . . . . . 5719 1 570 . 1 1 54 54 ARG HB2 H 1 1.786 0.000 . 1 . . . . . . . . 5719 1 571 . 1 1 54 54 ARG HB3 H 1 1.857 0.000 . 1 . . . . . . . . 5719 1 572 . 1 1 54 54 ARG CG C 13 25.018 0.000 . 1 . . . . . . . . 5719 1 573 . 1 1 54 54 ARG HG2 H 1 1.216 0.000 . 1 . . . . . . . . 5719 1 574 . 1 1 54 54 ARG HG3 H 1 1.356 0.000 . 1 . . . . . . . . 5719 1 575 . 1 1 54 54 ARG C C 13 176.120 0.000 . 1 . . . . . . . . 5719 1 576 . 1 1 55 55 ARG N N 15 122.003 0.000 . 1 . . . . . . . . 5719 1 577 . 1 1 55 55 ARG H H 1 8.774 0.000 . 1 . . . . . . . . 5719 1 578 . 1 1 55 55 ARG CA C 13 54.084 0.000 . 1 . . . . . . . . 5719 1 579 . 1 1 55 55 ARG HA H 1 5.655 0.000 . 1 . . . . . . . . 5719 1 580 . 1 1 55 55 ARG CG C 13 27.830 0.000 . 1 . . . . . . . . 5719 1 581 . 1 1 55 55 ARG HG2 H 1 1.480 0.000 . 1 . . . . . . . . 5719 1 582 . 1 1 55 55 ARG HG3 H 1 1.700 0.000 . 1 . . . . . . . . 5719 1 583 . 1 1 55 55 ARG C C 13 177.030 0.000 . 1 . . . . . . . . 5719 1 584 . 1 1 56 56 THR N N 15 111.753 0.000 . 1 . . . . . . . . 5719 1 585 . 1 1 56 56 THR H H 1 8.943 0.000 . 1 . . . . . . . . 5719 1 586 . 1 1 56 56 THR CA C 13 60.022 0.000 . 1 . . . . . . . . 5719 1 587 . 1 1 56 56 THR HA H 1 4.602 0.000 . 1 . . . . . . . . 5719 1 588 . 1 1 56 56 THR HB H 1 4.850 0.000 . 1 . . . . . . . . 5719 1 589 . 1 1 56 56 THR CG2 C 13 22.101 0.000 . 1 . . . . . . . . 5719 1 590 . 1 1 56 56 THR HG21 H 1 1.337 0.000 . 1 . . . . . . . . 5719 1 591 . 1 1 56 56 THR HG22 H 1 1.337 0.000 . 1 . . . . . . . . 5719 1 592 . 1 1 56 56 THR HG23 H 1 1.337 0.000 . 1 . . . . . . . . 5719 1 593 . 1 1 57 57 LEU CA C 13 54.964 0.000 . 1 . . . . . . . . 5719 1 594 . 1 1 57 57 LEU HA H 1 4.286 0.000 . 1 . . . . . . . . 5719 1 595 . 1 1 57 57 LEU CB C 13 41.871 0.000 . 1 . . . . . . . . 5719 1 596 . 1 1 57 57 LEU HB2 H 1 1.588 0.000 . 1 . . . . . . . . 5719 1 597 . 1 1 57 57 LEU HB3 H 1 1.650 0.000 . 1 . . . . . . . . 5719 1 598 . 1 1 57 57 LEU CG C 13 26.698 0.000 . 1 . . . . . . . . 5719 1 599 . 1 1 57 57 LEU HG H 1 1.613 0.000 . 1 . . . . . . . . 5719 1 600 . 1 1 57 57 LEU CD1 C 13 23.487 0.000 . 1 . . . . . . . . 5719 1 601 . 1 1 57 57 LEU HD11 H 1 0.890 0.000 . 1 . . . . . . . . 5719 1 602 . 1 1 57 57 LEU HD12 H 1 0.890 0.000 . 1 . . . . . . . . 5719 1 603 . 1 1 57 57 LEU HD13 H 1 0.890 0.000 . 1 . . . . . . . . 5719 1 604 . 1 1 57 57 LEU CD2 C 13 24.861 0.000 . 1 . . . . . . . . 5719 1 605 . 1 1 57 57 LEU HD21 H 1 0.953 0.000 . 1 . . . . . . . . 5719 1 606 . 1 1 57 57 LEU HD22 H 1 0.953 0.000 . 1 . . . . . . . . 5719 1 607 . 1 1 57 57 LEU HD23 H 1 0.953 0.000 . 1 . . . . . . . . 5719 1 608 . 1 1 58 58 HIS CA C 13 55.262 0.000 . 1 . . . . . . . . 5719 1 609 . 1 1 58 58 HIS HA H 1 4.830 0.000 . 1 . . . . . . . . 5719 1 610 . 1 1 58 58 HIS CB C 13 28.299 0.000 . 1 . . . . . . . . 5719 1 611 . 1 1 58 58 HIS HB2 H 1 2.990 0.000 . 1 . . . . . . . . 5719 1 612 . 1 1 58 58 HIS HB3 H 1 3.520 0.000 . 1 . . . . . . . . 5719 1 613 . 1 1 58 58 HIS C C 13 173.820 0.000 . 1 . . . . . . . . 5719 1 614 . 1 1 59 59 LYS N N 15 112.455 0.068 . 1 . . . . . . . . 5719 1 615 . 1 1 59 59 LYS H H 1 8.065 0.015 . 1 . . . . . . . . 5719 1 616 . 1 1 59 59 LYS CA C 13 57.834 0.000 . 1 . . . . . . . . 5719 1 617 . 1 1 59 59 LYS HA H 1 3.789 0.000 . 1 . . . . . . . . 5719 1 618 . 1 1 59 59 LYS CB C 13 28.924 0.000 . 1 . . . . . . . . 5719 1 619 . 1 1 59 59 LYS HB2 H 1 1.674 0.000 . 1 . . . . . . . . 5719 1 620 . 1 1 59 59 LYS HB3 H 1 1.731 0.000 . 1 . . . . . . . . 5719 1 621 . 1 1 59 59 LYS CG C 13 25.330 0.000 . 1 . . . . . . . . 5719 1 622 . 1 1 59 59 LYS HG2 H 1 1.354 0.000 . 1 . . . . . . . . 5719 1 623 . 1 1 59 59 LYS HG3 H 1 1.375 0.000 . 1 . . . . . . . . 5719 1 624 . 1 1 59 59 LYS C C 13 175.070 0.000 . 1 . . . . . . . . 5719 1 625 . 1 1 60 60 ALA N N 15 124.181 0.072 . 1 . . . . . . . . 5719 1 626 . 1 1 60 60 ALA H H 1 7.595 0.018 . 1 . . . . . . . . 5719 1 627 . 1 1 60 60 ALA CA C 13 51.584 0.000 . 1 . . . . . . . . 5719 1 628 . 1 1 60 60 ALA HA H 1 4.557 0.000 . 1 . . . . . . . . 5719 1 629 . 1 1 60 60 ALA CB C 13 19.020 0.000 . 1 . . . . . . . . 5719 1 630 . 1 1 60 60 ALA HB1 H 1 1.438 0.000 . 1 . . . . . . . . 5719 1 631 . 1 1 60 60 ALA HB2 H 1 1.438 0.000 . 1 . . . . . . . . 5719 1 632 . 1 1 60 60 ALA HB3 H 1 1.438 0.000 . 1 . . . . . . . . 5719 1 633 . 1 1 60 60 ALA C C 13 177.640 0.000 . 1 . . . . . . . . 5719 1 634 . 1 1 61 61 PHE N N 15 122.806 0.053 . 1 . . . . . . . . 5719 1 635 . 1 1 61 61 PHE H H 1 9.207 0.009 . 1 . . . . . . . . 5719 1 636 . 1 1 61 61 PHE CA C 13 56.136 0.000 . 1 . . . . . . . . 5719 1 637 . 1 1 61 61 PHE HA H 1 5.007 0.000 . 1 . . . . . . . . 5719 1 638 . 1 1 61 61 PHE CB C 13 37.986 0.000 . 1 . . . . . . . . 5719 1 639 . 1 1 61 61 PHE HB2 H 1 3.275 0.000 . 1 . . . . . . . . 5719 1 640 . 1 1 61 61 PHE HB3 H 1 3.492 0.000 . 1 . . . . . . . . 5719 1 641 . 1 1 61 61 PHE C C 13 176.360 0.000 . 1 . . . . . . . . 5719 1 642 . 1 1 62 62 LYS N N 15 125.753 0.000 . 1 . . . . . . . . 5719 1 643 . 1 1 62 62 LYS H H 1 8.706 0.000 . 1 . . . . . . . . 5719 1 644 . 1 1 62 62 LYS CA C 13 57.342 0.000 . 1 . . . . . . . . 5719 1 645 . 1 1 62 62 LYS HA H 1 4.792 0.000 . 1 . . . . . . . . 5719 1 646 . 1 1 62 62 LYS C C 13 178.030 0.000 . 1 . . . . . . . . 5719 1 647 . 1 1 63 63 GLY N N 15 110.253 0.000 . 1 . . . . . . . . 5719 1 648 . 1 1 63 63 GLY H H 1 8.514 0.000 . 1 . . . . . . . . 5719 1 649 . 1 1 63 63 GLY CA C 13 44.861 0.000 . 1 . . . . . . . . 5719 1 650 . 1 1 63 63 GLY HA2 H 1 3.957 0.000 . 1 . . . . . . . . 5719 1 651 . 1 1 63 63 GLY HA3 H 1 3.957 0.000 . 1 . . . . . . . . 5719 1 652 . 1 1 63 63 GLY C C 13 171.420 0.000 . 1 . . . . . . . . 5719 1 653 . 1 1 64 64 SER N N 15 111.753 0.000 . 1 . . . . . . . . 5719 1 654 . 1 1 64 64 SER H H 1 6.761 0.000 . 1 . . . . . . . . 5719 1 655 . 1 1 64 64 SER CA C 13 54.041 0.000 . 1 . . . . . . . . 5719 1 656 . 1 1 64 64 SER CB C 13 65.825 0.000 . 1 . . . . . . . . 5719 1 657 . 1 1 64 64 SER C C 13 172.740 0.000 . 1 . . . . . . . . 5719 1 658 . 1 1 65 65 ILE N N 15 111.181 0.072 . 1 . . . . . . . . 5719 1 659 . 1 1 65 65 ILE H H 1 8.682 0.012 . 1 . . . . . . . . 5719 1 660 . 1 1 65 65 ILE CA C 13 57.990 0.000 . 1 . . . . . . . . 5719 1 661 . 1 1 65 65 ILE HA H 1 5.312 0.000 . 1 . . . . . . . . 5719 1 662 . 1 1 65 65 ILE CB C 13 41.424 0.000 . 1 . . . . . . . . 5719 1 663 . 1 1 65 65 ILE HB H 1 1.842 0.000 . 1 . . . . . . . . 5719 1 664 . 1 1 65 65 ILE CG2 C 13 18.530 0.000 . 1 . . . . . . . . 5719 1 665 . 1 1 65 65 ILE HG21 H 1 0.809 0.000 . 1 . . . . . . . . 5719 1 666 . 1 1 65 65 ILE HG22 H 1 0.809 0.000 . 1 . . . . . . . . 5719 1 667 . 1 1 65 65 ILE HG23 H 1 0.809 0.000 . 1 . . . . . . . . 5719 1 668 . 1 1 65 65 ILE CD1 C 13 15.261 0.000 . 1 . . . . . . . . 5719 1 669 . 1 1 65 65 ILE HD11 H 1 0.588 0.000 . 1 . . . . . . . . 5719 1 670 . 1 1 65 65 ILE HD12 H 1 0.588 0.000 . 1 . . . . . . . . 5719 1 671 . 1 1 65 65 ILE HD13 H 1 0.588 0.000 . 1 . . . . . . . . 5719 1 672 . 1 1 65 65 ILE C C 13 174.020 0.000 . 1 . . . . . . . . 5719 1 673 . 1 1 66 66 PHE N N 15 114.806 0.053 . 1 . . . . . . . . 5719 1 674 . 1 1 66 66 PHE H H 1 8.435 0.015 . 1 . . . . . . . . 5719 1 675 . 1 1 66 66 PHE CA C 13 55.022 0.000 . 1 . . . . . . . . 5719 1 676 . 1 1 66 66 PHE HA H 1 6.211 0.000 . 1 . . . . . . . . 5719 1 677 . 1 1 66 66 PHE CB C 13 42.049 0.000 . 1 . . . . . . . . 5719 1 678 . 1 1 66 66 PHE HB2 H 1 2.916 0.000 . 1 . . . . . . . . 5719 1 679 . 1 1 66 66 PHE HB3 H 1 3.232 0.000 . 1 . . . . . . . . 5719 1 680 . 1 1 66 66 PHE CD1 C 13 131.124 0.000 . 1 . . . . . . . . 5719 1 681 . 1 1 66 66 PHE HD1 H 1 7.385 0.000 . 1 . . . . . . . . 5719 1 682 . 1 1 66 66 PHE CE1 C 13 129.093 0.000 . 1 . . . . . . . . 5719 1 683 . 1 1 66 66 PHE HE1 H 1 7.337 0.000 . 1 . . . . . . . . 5719 1 684 . 1 1 66 66 PHE CE2 C 13 129.093 0.000 . 1 . . . . . . . . 5719 1 685 . 1 1 66 66 PHE HE2 H 1 7.337 0.000 . 1 . . . . . . . . 5719 1 686 . 1 1 66 66 PHE CD2 C 13 131.124 0.000 . 1 . . . . . . . . 5719 1 687 . 1 1 66 66 PHE HD2 H 1 7.385 0.000 . 1 . . . . . . . . 5719 1 688 . 1 1 66 66 PHE C C 13 176.160 0.000 . 1 . . . . . . . . 5719 1 689 . 1 1 67 67 VAL N N 15 120.056 0.053 . 1 . . . . . . . . 5719 1 690 . 1 1 67 67 VAL H H 1 9.691 0.018 . 1 . . . . . . . . 5719 1 691 . 1 1 67 67 VAL CA C 13 59.240 0.000 . 1 . . . . . . . . 5719 1 692 . 1 1 67 67 VAL HA H 1 5.010 0.000 . 1 . . . . . . . . 5719 1 693 . 1 1 67 67 VAL CB C 13 35.099 0.000 . 1 . . . . . . . . 5719 1 694 . 1 1 67 67 VAL HB H 1 1.762 0.000 . 1 . . . . . . . . 5719 1 695 . 1 1 67 67 VAL CG1 C 13 22.448 0.000 . 1 . . . . . . . . 5719 1 696 . 1 1 67 67 VAL HG11 H 1 0.525 0.000 . 1 . . . . . . . . 5719 1 697 . 1 1 67 67 VAL HG12 H 1 0.525 0.000 . 1 . . . . . . . . 5719 1 698 . 1 1 67 67 VAL HG13 H 1 0.525 0.000 . 1 . . . . . . . . 5719 1 699 . 1 1 67 67 VAL CG2 C 13 22.189 0.000 . 1 . . . . . . . . 5719 1 700 . 1 1 67 67 VAL HG21 H 1 0.684 0.000 . 1 . . . . . . . . 5719 1 701 . 1 1 67 67 VAL HG22 H 1 0.684 0.000 . 1 . . . . . . . . 5719 1 702 . 1 1 67 67 VAL HG23 H 1 0.684 0.000 . 1 . . . . . . . . 5719 1 703 . 1 1 67 67 VAL C C 13 173.810 0.000 . 1 . . . . . . . . 5719 1 704 . 1 1 68 68 VAL N N 15 124.556 0.053 . 1 . . . . . . . . 5719 1 705 . 1 1 68 68 VAL H H 1 8.141 0.019 . 1 . . . . . . . . 5719 1 706 . 1 1 68 68 VAL CA C 13 61.404 0.000 . 1 . . . . . . . . 5719 1 707 . 1 1 68 68 VAL HA H 1 4.715 0.000 . 1 . . . . . . . . 5719 1 708 . 1 1 68 68 VAL CB C 13 33.924 0.000 . 1 . . . . . . . . 5719 1 709 . 1 1 68 68 VAL HB H 1 1.799 0.000 . 1 . . . . . . . . 5719 1 710 . 1 1 68 68 VAL CG1 C 13 20.080 0.000 . 1 . . . . . . . . 5719 1 711 . 1 1 68 68 VAL HG11 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 712 . 1 1 68 68 VAL HG12 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 713 . 1 1 68 68 VAL HG13 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 714 . 1 1 68 68 VAL CG2 C 13 21.736 0.000 . 1 . . . . . . . . 5719 1 715 . 1 1 68 68 VAL HG21 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 716 . 1 1 68 68 VAL HG22 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 717 . 1 1 68 68 VAL HG23 H 1 0.997 0.000 . 1 . . . . . . . . 5719 1 718 . 1 1 68 68 VAL C C 13 176.430 0.000 . 1 . . . . . . . . 5719 1 719 . 1 1 69 69 PHE N N 15 126.088 0.000 . 1 . . . . . . . . 5719 1 720 . 1 1 69 69 PHE H H 1 8.902 0.020 . 1 . . . . . . . . 5719 1 721 . 1 1 69 69 PHE CA C 13 58.629 0.000 . 1 . . . . . . . . 5719 1 722 . 1 1 69 69 PHE HA H 1 4.998 0.000 . 1 . . . . . . . . 5719 1 723 . 1 1 69 69 PHE CB C 13 42.205 0.000 . 1 . . . . . . . . 5719 1 724 . 1 1 69 69 PHE HB2 H 1 3.091 0.000 . 1 . . . . . . . . 5719 1 725 . 1 1 69 69 PHE HB3 H 1 3.517 0.000 . 1 . . . . . . . . 5719 1 726 . 1 1 69 69 PHE CD1 C 13 130.343 0.000 . 1 . . . . . . . . 5719 1 727 . 1 1 69 69 PHE HD1 H 1 7.165 0.000 . 1 . . . . . . . . 5719 1 728 . 1 1 69 69 PHE CE1 C 13 130.861 0.000 . 1 . . . . . . . . 5719 1 729 . 1 1 69 69 PHE HE1 H 1 6.707 0.000 . 1 . . . . . . . . 5719 1 730 . 1 1 69 69 PHE CZ C 13 128.680 0.000 . 1 . . . . . . . . 5719 1 731 . 1 1 69 69 PHE HZ H 1 5.621 0.000 . 1 . . . . . . . . 5719 1 732 . 1 1 69 69 PHE CE2 C 13 130.861 0.000 . 1 . . . . . . . . 5719 1 733 . 1 1 69 69 PHE HE2 H 1 6.707 0.000 . 1 . . . . . . . . 5719 1 734 . 1 1 69 69 PHE CD2 C 13 130.343 0.000 . 1 . . . . . . . . 5719 1 735 . 1 1 69 69 PHE HD2 H 1 7.165 0.000 . 1 . . . . . . . . 5719 1 736 . 1 1 69 69 PHE C C 13 175.520 0.000 . 1 . . . . . . . . 5719 1 737 . 1 1 70 70 ASP N N 15 118.431 0.072 . 1 . . . . . . . . 5719 1 738 . 1 1 70 70 ASP H H 1 8.724 0.014 . 1 . . . . . . . . 5719 1 739 . 1 1 70 70 ASP CA C 13 55.959 0.000 . 1 . . . . . . . . 5719 1 740 . 1 1 70 70 ASP HA H 1 4.267 0.000 . 1 . . . . . . . . 5719 1 741 . 1 1 70 70 ASP CB C 13 40.806 0.000 . 1 . . . . . . . . 5719 1 742 . 1 1 70 70 ASP HB2 H 1 2.615 0.000 . 1 . . . . . . . . 5719 1 743 . 1 1 70 70 ASP HB3 H 1 2.834 0.000 . 1 . . . . . . . . 5719 1 744 . 1 1 70 70 ASP C C 13 175.590 0.000 . 1 . . . . . . . . 5719 1 745 . 1 1 71 71 SER N N 15 111.181 0.072 . 1 . . . . . . . . 5719 1 746 . 1 1 71 71 SER H H 1 7.858 0.014 . 1 . . . . . . . . 5719 1 747 . 1 1 71 71 SER CA C 13 55.803 0.000 . 1 . . . . . . . . 5719 1 748 . 1 1 71 71 SER HA H 1 4.962 0.000 . 1 . . . . . . . . 5719 1 749 . 1 1 71 71 SER CB C 13 66.567 0.000 . 1 . . . . . . . . 5719 1 750 . 1 1 71 71 SER HB2 H 1 3.977 0.000 . 1 . . . . . . . . 5719 1 751 . 1 1 71 71 SER HB3 H 1 4.331 0.000 . 1 . . . . . . . . 5719 1 752 . 1 1 71 71 SER C C 13 174.360 0.000 . 1 . . . . . . . . 5719 1 753 . 1 1 72 72 ILE N N 15 123.431 0.072 . 1 . . . . . . . . 5719 1 754 . 1 1 72 72 ILE H H 1 9.051 0.014 . 1 . . . . . . . . 5719 1 755 . 1 1 72 72 ILE CA C 13 64.397 0.000 . 1 . . . . . . . . 5719 1 756 . 1 1 72 72 ILE HA H 1 3.900 0.000 . 1 . . . . . . . . 5719 1 757 . 1 1 72 72 ILE CB C 13 37.840 0.000 . 1 . . . . . . . . 5719 1 758 . 1 1 72 72 ILE HB H 1 1.887 0.000 . 1 . . . . . . . . 5719 1 759 . 1 1 72 72 ILE CG2 C 13 17.228 0.000 . 1 . . . . . . . . 5719 1 760 . 1 1 72 72 ILE HG21 H 1 1.008 0.000 . 1 . . . . . . . . 5719 1 761 . 1 1 72 72 ILE HG22 H 1 1.008 0.000 . 1 . . . . . . . . 5719 1 762 . 1 1 72 72 ILE HG23 H 1 1.008 0.000 . 1 . . . . . . . . 5719 1 763 . 1 1 72 72 ILE CG1 C 13 28.611 0.000 . 1 . . . . . . . . 5719 1 764 . 1 1 72 72 ILE HG12 H 1 1.142 0.000 . 1 . . . . . . . . 5719 1 765 . 1 1 72 72 ILE HG13 H 1 1.692 0.000 . 1 . . . . . . . . 5719 1 766 . 1 1 72 72 ILE CD1 C 13 14.063 0.000 . 1 . . . . . . . . 5719 1 767 . 1 1 72 72 ILE HD11 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 768 . 1 1 72 72 ILE HD12 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 769 . 1 1 72 72 ILE HD13 H 1 0.993 0.000 . 1 . . . . . . . . 5719 1 770 . 1 1 72 72 ILE C C 13 177.410 0.000 . 1 . . . . . . . . 5719 1 771 . 1 1 73 73 GLU N N 15 120.556 0.053 . 1 . . . . . . . . 5719 1 772 . 1 1 73 73 GLU H H 1 8.807 0.005 . 1 . . . . . . . . 5719 1 773 . 1 1 73 73 GLU CA C 13 60.453 0.000 . 1 . . . . . . . . 5719 1 774 . 1 1 73 73 GLU HA H 1 4.021 0.000 . 1 . . . . . . . . 5719 1 775 . 1 1 73 73 GLU CB C 13 28.768 0.000 . 1 . . . . . . . . 5719 1 776 . 1 1 73 73 GLU HB2 H 1 1.973 0.000 . 1 . . . . . . . . 5719 1 777 . 1 1 73 73 GLU HB3 H 1 2.138 0.000 . 1 . . . . . . . . 5719 1 778 . 1 1 73 73 GLU CG C 13 36.736 0.000 . 1 . . . . . . . . 5719 1 779 . 1 1 73 73 GLU HG2 H 1 2.325 0.000 . 1 . . . . . . . . 5719 1 780 . 1 1 73 73 GLU HG3 H 1 2.466 0.000 . 1 . . . . . . . . 5719 1 781 . 1 1 73 73 GLU C C 13 179.550 0.000 . 1 . . . . . . . . 5719 1 782 . 1 1 74 74 SER N N 15 116.431 0.072 . 1 . . . . . . . . 5719 1 783 . 1 1 74 74 SER H H 1 8.191 0.012 . 1 . . . . . . . . 5719 1 784 . 1 1 74 74 SER CA C 13 60.959 0.000 . 1 . . . . . . . . 5719 1 785 . 1 1 74 74 SER HA H 1 4.164 0.000 . 1 . . . . . . . . 5719 1 786 . 1 1 74 74 SER CB C 13 62.522 0.000 . 1 . . . . . . . . 5719 1 787 . 1 1 74 74 SER HB2 H 1 3.946 0.000 . 1 . . . . . . . . 5719 1 788 . 1 1 74 74 SER HB3 H 1 4.132 0.000 . 1 . . . . . . . . 5719 1 789 . 1 1 74 74 SER C C 13 176.620 0.000 . 1 . . . . . . . . 5719 1 790 . 1 1 75 75 ALA N N 15 124.931 0.072 . 1 . . . . . . . . 5719 1 791 . 1 1 75 75 ALA H H 1 7.671 0.020 . 1 . . . . . . . . 5719 1 792 . 1 1 75 75 ALA CA C 13 55.016 0.000 . 1 . . . . . . . . 5719 1 793 . 1 1 75 75 ALA HA H 1 3.068 0.000 . 1 . . . . . . . . 5719 1 794 . 1 1 75 75 ALA CB C 13 18.611 0.000 . 1 . . . . . . . . 5719 1 795 . 1 1 75 75 ALA HB1 H 1 1.614 0.000 . 1 . . . . . . . . 5719 1 796 . 1 1 75 75 ALA HB2 H 1 1.614 0.000 . 1 . . . . . . . . 5719 1 797 . 1 1 75 75 ALA HB3 H 1 1.614 0.000 . 1 . . . . . . . . 5719 1 798 . 1 1 75 75 ALA C C 13 177.730 0.000 . 1 . . . . . . . . 5719 1 799 . 1 1 76 76 LYS N N 15 117.431 0.072 . 1 . . . . . . . . 5719 1 800 . 1 1 76 76 LYS H H 1 8.810 0.021 . 1 . . . . . . . . 5719 1 801 . 1 1 76 76 LYS CA C 13 60.178 0.000 . 1 . . . . . . . . 5719 1 802 . 1 1 76 76 LYS HA H 1 4.017 0.000 . 1 . . . . . . . . 5719 1 803 . 1 1 76 76 LYS CB C 13 32.830 0.000 . 1 . . . . . . . . 5719 1 804 . 1 1 76 76 LYS HB2 H 1 1.985 0.000 . 1 . . . . . . . . 5719 1 805 . 1 1 76 76 LYS HB3 H 1 2.026 0.000 . 1 . . . . . . . . 5719 1 806 . 1 1 76 76 LYS C C 13 177.700 0.000 . 1 . . . . . . . . 5719 1 807 . 1 1 77 77 LYS N N 15 117.056 0.053 . 1 . . . . . . . . 5719 1 808 . 1 1 77 77 LYS H H 1 7.752 0.019 . 1 . . . . . . . . 5719 1 809 . 1 1 77 77 LYS CA C 13 58.615 0.000 . 1 . . . . . . . . 5719 1 810 . 1 1 77 77 LYS HA H 1 4.005 0.000 . 1 . . . . . . . . 5719 1 811 . 1 1 77 77 LYS CB C 13 32.129 0.000 . 1 . . . . . . . . 5719 1 812 . 1 1 77 77 LYS HB2 H 1 1.873 0.000 . 1 . . . . . . . . 5719 1 813 . 1 1 77 77 LYS HB3 H 1 1.873 0.000 . 1 . . . . . . . . 5719 1 814 . 1 1 77 77 LYS CG C 13 24.705 0.000 . 1 . . . . . . . . 5719 1 815 . 1 1 77 77 LYS HG2 H 1 1.418 0.000 . 1 . . . . . . . . 5719 1 816 . 1 1 77 77 LYS HG3 H 1 1.517 0.000 . 1 . . . . . . . . 5719 1 817 . 1 1 77 77 LYS CD C 13 29.236 0.000 . 1 . . . . . . . . 5719 1 818 . 1 1 77 77 LYS HD2 H 1 1.704 0.000 . 1 . . . . . . . . 5719 1 819 . 1 1 77 77 LYS HD3 H 1 1.704 0.000 . 1 . . . . . . . . 5719 1 820 . 1 1 77 77 LYS C C 13 178.620 0.000 . 1 . . . . . . . . 5719 1 821 . 1 1 78 78 PHE N N 15 119.181 0.072 . 1 . . . . . . . . 5719 1 822 . 1 1 78 78 PHE H H 1 7.437 0.014 . 1 . . . . . . . . 5719 1 823 . 1 1 78 78 PHE CA C 13 61.272 0.000 . 1 . . . . . . . . 5719 1 824 . 1 1 78 78 PHE HA H 1 4.218 0.000 . 1 . . . . . . . . 5719 1 825 . 1 1 78 78 PHE CB C 13 39.393 0.000 . 1 . . . . . . . . 5719 1 826 . 1 1 78 78 PHE HB2 H 1 2.641 0.000 . 1 . . . . . . . . 5719 1 827 . 1 1 78 78 PHE HB3 H 1 2.930 0.000 . 1 . . . . . . . . 5719 1 828 . 1 1 78 78 PHE CD1 C 13 131.589 0.000 . 1 . . . . . . . . 5719 1 829 . 1 1 78 78 PHE HD1 H 1 7.266 0.000 . 1 . . . . . . . . 5719 1 830 . 1 1 78 78 PHE CE1 C 13 131.029 0.000 . 1 . . . . . . . . 5719 1 831 . 1 1 78 78 PHE HE1 H 1 7.296 0.000 . 1 . . . . . . . . 5719 1 832 . 1 1 78 78 PHE CE2 C 13 131.029 0.000 . 1 . . . . . . . . 5719 1 833 . 1 1 78 78 PHE HE2 H 1 7.296 0.000 . 1 . . . . . . . . 5719 1 834 . 1 1 78 78 PHE CD2 C 13 131.589 0.000 . 1 . . . . . . . . 5719 1 835 . 1 1 78 78 PHE HD2 H 1 7.266 0.000 . 1 . . . . . . . . 5719 1 836 . 1 1 78 78 PHE C C 13 177.020 0.000 . 1 . . . . . . . . 5719 1 837 . 1 1 79 79 VAL N N 15 118.306 0.053 . 1 . . . . . . . . 5719 1 838 . 1 1 79 79 VAL H H 1 8.321 0.003 . 1 . . . . . . . . 5719 1 839 . 1 1 79 79 VAL CA C 13 65.491 0.000 . 1 . . . . . . . . 5719 1 840 . 1 1 79 79 VAL HA H 1 3.234 0.000 . 1 . . . . . . . . 5719 1 841 . 1 1 79 79 VAL CB C 13 31.672 0.000 . 1 . . . . . . . . 5719 1 842 . 1 1 79 79 VAL HB H 1 1.769 0.000 . 1 . . . . . . . . 5719 1 843 . 1 1 79 79 VAL CG1 C 13 23.837 0.000 . 1 . . . . . . . . 5719 1 844 . 1 1 79 79 VAL HG11 H 1 0.334 0.000 . 1 . . . . . . . . 5719 1 845 . 1 1 79 79 VAL HG12 H 1 0.334 0.000 . 1 . . . . . . . . 5719 1 846 . 1 1 79 79 VAL HG13 H 1 0.334 0.000 . 1 . . . . . . . . 5719 1 847 . 1 1 79 79 VAL CG2 C 13 21.341 0.000 . 1 . . . . . . . . 5719 1 848 . 1 1 79 79 VAL HG21 H 1 0.773 0.000 . 1 . . . . . . . . 5719 1 849 . 1 1 79 79 VAL HG22 H 1 0.773 0.000 . 1 . . . . . . . . 5719 1 850 . 1 1 79 79 VAL HG23 H 1 0.773 0.000 . 1 . . . . . . . . 5719 1 851 . 1 1 79 79 VAL C C 13 177.860 0.000 . 1 . . . . . . . . 5719 1 852 . 1 1 80 80 GLU N N 15 115.306 0.053 . 1 . . . . . . . . 5719 1 853 . 1 1 80 80 GLU H H 1 8.066 0.019 . 1 . . . . . . . . 5719 1 854 . 1 1 80 80 GLU CA C 13 56.409 0.000 . 1 . . . . . . . . 5719 1 855 . 1 1 80 80 GLU HA H 1 4.155 0.000 . 1 . . . . . . . . 5719 1 856 . 1 1 80 80 GLU CB C 13 28.924 0.000 . 1 . . . . . . . . 5719 1 857 . 1 1 80 80 GLU HB2 H 1 2.046 0.000 . 1 . . . . . . . . 5719 1 858 . 1 1 80 80 GLU HB3 H 1 2.193 0.000 . 1 . . . . . . . . 5719 1 859 . 1 1 80 80 GLU CG C 13 36.759 0.000 . 1 . . . . . . . . 5719 1 860 . 1 1 80 80 GLU HG2 H 1 2.341 0.000 . 1 . . . . . . . . 5719 1 861 . 1 1 80 80 GLU HG3 H 1 2.592 0.000 . 1 . . . . . . . . 5719 1 862 . 1 1 80 80 GLU C C 13 176.690 0.000 . 1 . . . . . . . . 5719 1 863 . 1 1 81 81 THR N N 15 120.306 0.053 . 1 . . . . . . . . 5719 1 864 . 1 1 81 81 THR H H 1 7.238 0.014 . 1 . . . . . . . . 5719 1 865 . 1 1 81 81 THR CA C 13 61.116 0.000 . 1 . . . . . . . . 5719 1 866 . 1 1 81 81 THR HA H 1 4.488 0.000 . 1 . . . . . . . . 5719 1 867 . 1 1 81 81 THR CB C 13 69.397 0.000 . 1 . . . . . . . . 5719 1 868 . 1 1 81 81 THR HB H 1 4.241 0.000 . 1 . . . . . . . . 5719 1 869 . 1 1 81 81 THR CG2 C 13 19.629 0.000 . 1 . . . . . . . . 5719 1 870 . 1 1 81 81 THR HG21 H 1 1.167 0.000 . 1 . . . . . . . . 5719 1 871 . 1 1 81 81 THR HG22 H 1 1.167 0.000 . 1 . . . . . . . . 5719 1 872 . 1 1 81 81 THR HG23 H 1 1.167 0.000 . 1 . . . . . . . . 5719 1 873 . 1 1 82 82 PRO CD C 13 50.647 0.000 . 1 . . . . . . . . 5719 1 874 . 1 1 82 82 PRO CA C 13 62.053 0.000 . 1 . . . . . . . . 5719 1 875 . 1 1 82 82 PRO HA H 1 4.699 0.000 . 1 . . . . . . . . 5719 1 876 . 1 1 82 82 PRO CB C 13 32.674 0.000 . 1 . . . . . . . . 5719 1 877 . 1 1 82 82 PRO HB2 H 1 2.010 0.000 . 1 . . . . . . . . 5719 1 878 . 1 1 82 82 PRO HB3 H 1 2.280 0.000 . 1 . . . . . . . . 5719 1 879 . 1 1 82 82 PRO CG C 13 26.463 0.000 . 1 . . . . . . . . 5719 1 880 . 1 1 82 82 PRO HG2 H 1 2.015 0.000 . 1 . . . . . . . . 5719 1 881 . 1 1 82 82 PRO HG3 H 1 2.015 0.000 . 1 . . . . . . . . 5719 1 882 . 1 1 82 82 PRO HD2 H 1 3.808 0.000 . 1 . . . . . . . . 5719 1 883 . 1 1 82 82 PRO HD3 H 1 4.180 0.000 . 1 . . . . . . . . 5719 1 884 . 1 1 82 82 PRO C C 13 177.680 0.000 . 1 . . . . . . . . 5719 1 885 . 1 1 83 83 GLY N N 15 107.288 0.050 . 1 . . . . . . . . 5719 1 886 . 1 1 83 83 GLY H H 1 8.683 0.011 . 1 . . . . . . . . 5719 1 887 . 1 1 83 83 GLY CA C 13 47.027 0.000 . 1 . . . . . . . . 5719 1 888 . 1 1 83 83 GLY HA2 H 1 3.799 0.000 . 1 . . . . . . . . 5719 1 889 . 1 1 83 83 GLY HA3 H 1 3.907 0.000 . 1 . . . . . . . . 5719 1 890 . 1 1 83 83 GLY C C 13 171.570 0.000 . 1 . . . . . . . . 5719 1 891 . 1 1 84 84 GLN N N 15 119.003 0.000 . 1 . . . . . . . . 5719 1 892 . 1 1 84 84 GLN H H 1 8.564 0.000 . 1 . . . . . . . . 5719 1 893 . 1 1 84 84 GLN CA C 13 57.209 0.000 . 1 . . . . . . . . 5719 1 894 . 1 1 84 84 GLN HA H 1 4.420 0.000 . 1 . . . . . . . . 5719 1 895 . 1 1 84 84 GLN CB C 13 30.046 0.000 . 1 . . . . . . . . 5719 1 896 . 1 1 84 84 GLN HB2 H 1 1.957 0.000 . 1 . . . . . . . . 5719 1 897 . 1 1 84 84 GLN HB3 H 1 2.073 0.000 . 1 . . . . . . . . 5719 1 898 . 1 1 84 84 GLN CG C 13 34.861 0.000 . 1 . . . . . . . . 5719 1 899 . 1 1 84 84 GLN HG2 H 1 1.964 0.000 . 1 . . . . . . . . 5719 1 900 . 1 1 84 84 GLN HG3 H 1 2.246 0.000 . 1 . . . . . . . . 5719 1 901 . 1 1 84 84 GLN C C 13 175.950 0.000 . 1 . . . . . . . . 5719 1 902 . 1 1 85 85 LYS N N 15 122.181 0.072 . 1 . . . . . . . . 5719 1 903 . 1 1 85 85 LYS H H 1 8.694 0.017 . 1 . . . . . . . . 5719 1 904 . 1 1 85 85 LYS CA C 13 55.022 0.000 . 1 . . . . . . . . 5719 1 905 . 1 1 85 85 LYS HA H 1 5.019 0.000 . 1 . . . . . . . . 5719 1 906 . 1 1 85 85 LYS CB C 13 37.986 0.000 . 1 . . . . . . . . 5719 1 907 . 1 1 85 85 LYS HB2 H 1 1.441 0.000 . 1 . . . . . . . . 5719 1 908 . 1 1 85 85 LYS HB3 H 1 1.537 0.000 . 1 . . . . . . . . 5719 1 909 . 1 1 85 85 LYS CG C 13 24.861 0.000 . 1 . . . . . . . . 5719 1 910 . 1 1 85 85 LYS HG2 H 1 1.212 0.000 . 1 . . . . . . . . 5719 1 911 . 1 1 85 85 LYS HG3 H 1 1.359 0.000 . 1 . . . . . . . . 5719 1 912 . 1 1 85 85 LYS CD C 13 29.549 0.000 . 1 . . . . . . . . 5719 1 913 . 1 1 85 85 LYS HD2 H 1 1.453 0.000 . 1 . . . . . . . . 5719 1 914 . 1 1 85 85 LYS HD3 H 1 1.524 0.000 . 1 . . . . . . . . 5719 1 915 . 1 1 85 85 LYS CE C 13 42.049 0.000 . 1 . . . . . . . . 5719 1 916 . 1 1 85 85 LYS HE2 H 1 2.951 0.000 . 1 . . . . . . . . 5719 1 917 . 1 1 85 85 LYS HE3 H 1 2.951 0.000 . 1 . . . . . . . . 5719 1 918 . 1 1 86 86 TYR N N 15 121.253 0.000 . 1 . . . . . . . . 5719 1 919 . 1 1 86 86 TYR H H 1 8.213 0.000 . 1 . . . . . . . . 5719 1 920 . 1 1 86 86 TYR CA C 13 56.740 0.000 . 1 . . . . . . . . 5719 1 921 . 1 1 86 86 TYR HA H 1 4.457 0.000 . 1 . . . . . . . . 5719 1 922 . 1 1 86 86 TYR CB C 13 40.018 0.000 . 1 . . . . . . . . 5719 1 923 . 1 1 86 86 TYR HB2 H 1 1.685 0.000 . 1 . . . . . . . . 5719 1 924 . 1 1 86 86 TYR HB3 H 1 2.354 0.000 . 1 . . . . . . . . 5719 1 925 . 1 1 86 86 TYR CD1 C 13 133.155 0.000 . 1 . . . . . . . . 5719 1 926 . 1 1 86 86 TYR HD1 H 1 6.503 0.000 . 1 . . . . . . . . 5719 1 927 . 1 1 86 86 TYR CE1 C 13 116.901 0.000 . 1 . . . . . . . . 5719 1 928 . 1 1 86 86 TYR HE1 H 1 6.711 0.000 . 1 . . . . . . . . 5719 1 929 . 1 1 86 86 TYR CE2 C 13 116.901 0.000 . 1 . . . . . . . . 5719 1 930 . 1 1 86 86 TYR HE2 H 1 6.711 0.000 . 1 . . . . . . . . 5719 1 931 . 1 1 86 86 TYR CD2 C 13 133.155 0.000 . 1 . . . . . . . . 5719 1 932 . 1 1 86 86 TYR HD2 H 1 6.503 0.000 . 1 . . . . . . . . 5719 1 933 . 1 1 86 86 TYR C C 13 174.480 0.000 . 1 . . . . . . . . 5719 1 934 . 1 1 87 87 LYS N N 15 127.056 0.053 . 1 . . . . . . . . 5719 1 935 . 1 1 87 87 LYS H H 1 9.248 0.011 . 1 . . . . . . . . 5719 1 936 . 1 1 87 87 LYS CA C 13 58.147 0.062 . 1 . . . . . . . . 5719 1 937 . 1 1 87 87 LYS HA H 1 3.603 0.000 . 1 . . . . . . . . 5719 1 938 . 1 1 87 87 LYS CB C 13 29.393 0.000 . 1 . . . . . . . . 5719 1 939 . 1 1 87 87 LYS HB2 H 1 1.676 0.000 . 1 . . . . . . . . 5719 1 940 . 1 1 87 87 LYS HB3 H 1 1.842 0.000 . 1 . . . . . . . . 5719 1 941 . 1 1 87 87 LYS CG C 13 25.188 0.000 . 1 . . . . . . . . 5719 1 942 . 1 1 87 87 LYS HG2 H 1 0.569 0.000 . 1 . . . . . . . . 5719 1 943 . 1 1 87 87 LYS HG3 H 1 0.944 0.000 . 1 . . . . . . . . 5719 1 944 . 1 1 87 87 LYS CD C 13 29.236 0.000 . 1 . . . . . . . . 5719 1 945 . 1 1 87 87 LYS HD2 H 1 1.480 0.000 . 1 . . . . . . . . 5719 1 946 . 1 1 87 87 LYS HD3 H 1 1.574 0.000 . 1 . . . . . . . . 5719 1 947 . 1 1 87 87 LYS CE C 13 42.205 0.000 . 1 . . . . . . . . 5719 1 948 . 1 1 87 87 LYS HE2 H 1 2.848 0.000 . 1 . . . . . . . . 5719 1 949 . 1 1 87 87 LYS HE3 H 1 2.901 0.000 . 1 . . . . . . . . 5719 1 950 . 1 1 87 87 LYS C C 13 176.030 0.000 . 1 . . . . . . . . 5719 1 951 . 1 1 88 88 GLU N N 15 115.398 0.038 . 1 . . . . . . . . 5719 1 952 . 1 1 88 88 GLU H H 1 8.411 0.005 . 1 . . . . . . . . 5719 1 953 . 1 1 88 88 GLU CA C 13 56.897 0.000 . 1 . . . . . . . . 5719 1 954 . 1 1 88 88 GLU HA H 1 4.135 0.000 . 1 . . . . . . . . 5719 1 955 . 1 1 88 88 GLU CB C 13 28.611 0.000 . 1 . . . . . . . . 5719 1 956 . 1 1 88 88 GLU HB2 H 1 2.130 0.000 . 1 . . . . . . . . 5719 1 957 . 1 1 88 88 GLU HB3 H 1 2.310 0.000 . 1 . . . . . . . . 5719 1 958 . 1 1 88 88 GLU CG C 13 36.111 0.000 . 1 . . . . . . . . 5719 1 959 . 1 1 88 88 GLU HG2 H 1 2.174 0.000 . 1 . . . . . . . . 5719 1 960 . 1 1 88 88 GLU HG3 H 1 2.265 0.000 . 1 . . . . . . . . 5719 1 961 . 1 1 88 88 GLU C C 13 175.733 0.000 . 1 . . . . . . . . 5719 1 962 . 1 1 89 89 THR N N 15 119.538 0.050 . 1 . . . . . . . . 5719 1 963 . 1 1 89 89 THR H H 1 8.360 0.013 . 1 . . . . . . . . 5719 1 964 . 1 1 89 89 THR CA C 13 62.475 0.000 . 1 . . . . . . . . 5719 1 965 . 1 1 89 89 THR HA H 1 4.369 0.000 . 1 . . . . . . . . 5719 1 966 . 1 1 89 89 THR CB C 13 70.178 0.000 . 1 . . . . . . . . 5719 1 967 . 1 1 89 89 THR HB H 1 4.218 0.000 . 1 . . . . . . . . 5719 1 968 . 1 1 89 89 THR CG2 C 13 21.636 0.000 . 1 . . . . . . . . 5719 1 969 . 1 1 89 89 THR HG21 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 970 . 1 1 89 89 THR HG22 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 971 . 1 1 89 89 THR HG23 H 1 1.276 0.000 . 1 . . . . . . . . 5719 1 972 . 1 1 89 89 THR C C 13 173.380 0.000 . 1 . . . . . . . . 5719 1 973 . 1 1 90 90 ASP N N 15 126.181 0.072 . 1 . . . . . . . . 5719 1 974 . 1 1 90 90 ASP H H 1 8.523 0.010 . 1 . . . . . . . . 5719 1 975 . 1 1 90 90 ASP CA C 13 55.490 0.000 . 1 . . . . . . . . 5719 1 976 . 1 1 90 90 ASP HA H 1 4.456 0.000 . 1 . . . . . . . . 5719 1 977 . 1 1 90 90 ASP CB C 13 41.236 0.000 . 1 . . . . . . . . 5719 1 978 . 1 1 90 90 ASP HB2 H 1 2.482 0.000 . 1 . . . . . . . . 5719 1 979 . 1 1 90 90 ASP HB3 H 1 2.615 0.000 . 1 . . . . . . . . 5719 1 980 . 1 1 90 90 ASP C C 13 175.090 0.000 . 1 . . . . . . . . 5719 1 981 . 1 1 91 91 LEU N N 15 120.806 0.053 . 1 . . . . . . . . 5719 1 982 . 1 1 91 91 LEU H H 1 7.628 0.015 . 1 . . . . . . . . 5719 1 983 . 1 1 91 91 LEU CA C 13 52.834 0.000 . 1 . . . . . . . . 5719 1 984 . 1 1 91 91 LEU HA H 1 4.621 0.000 . 1 . . . . . . . . 5719 1 985 . 1 1 91 91 LEU CB C 13 43.768 0.000 . 1 . . . . . . . . 5719 1 986 . 1 1 91 91 LEU HB2 H 1 1.304 0.000 . 1 . . . . . . . . 5719 1 987 . 1 1 91 91 LEU HB3 H 1 0.837 0.000 . 1 . . . . . . . . 5719 1 988 . 1 1 91 91 LEU CG C 13 25.983 0.000 . 1 . . . . . . . . 5719 1 989 . 1 1 91 91 LEU HG H 1 1.300 0.000 . 1 . . . . . . . . 5719 1 990 . 1 1 91 91 LEU CD1 C 13 20.330 0.000 . 1 . . . . . . . . 5719 1 991 . 1 1 91 91 LEU HD11 H 1 -0.347 0.000 . 1 . . . . . . . . 5719 1 992 . 1 1 91 91 LEU HD12 H 1 -0.347 0.000 . 1 . . . . . . . . 5719 1 993 . 1 1 91 91 LEU HD13 H 1 -0.347 0.000 . 1 . . . . . . . . 5719 1 994 . 1 1 91 91 LEU CD2 C 13 27.600 0.000 . 1 . . . . . . . . 5719 1 995 . 1 1 91 91 LEU HD21 H 1 0.101 0.000 . 1 . . . . . . . . 5719 1 996 . 1 1 91 91 LEU HD22 H 1 0.101 0.000 . 1 . . . . . . . . 5719 1 997 . 1 1 91 91 LEU HD23 H 1 0.101 0.000 . 1 . . . . . . . . 5719 1 998 . 1 1 91 91 LEU C C 13 176.180 0.000 . 1 . . . . . . . . 5719 1 999 . 1 1 92 92 LEU N N 15 125.556 0.053 . 1 . . . . . . . . 5719 1 1000 . 1 1 92 92 LEU H H 1 8.472 0.010 . 1 . . . . . . . . 5719 1 1001 . 1 1 92 92 LEU CA C 13 53.928 0.000 . 1 . . . . . . . . 5719 1 1002 . 1 1 92 92 LEU HA H 1 4.632 0.000 . 1 . . . . . . . . 5719 1 1003 . 1 1 92 92 LEU CB C 13 43.455 0.000 . 1 . . . . . . . . 5719 1 1004 . 1 1 92 92 LEU HB2 H 1 1.765 0.000 . 1 . . . . . . . . 5719 1 1005 . 1 1 92 92 LEU HB3 H 1 1.513 0.000 . 1 . . . . . . . . 5719 1 1006 . 1 1 92 92 LEU CG C 13 27.798 0.000 . 1 . . . . . . . . 5719 1 1007 . 1 1 92 92 LEU HG H 1 1.549 0.000 . 1 . . . . . . . . 5719 1 1008 . 1 1 92 92 LEU CD1 C 13 23.299 0.000 . 1 . . . . . . . . 5719 1 1009 . 1 1 92 92 LEU HD11 H 1 1.031 0.000 . 1 . . . . . . . . 5719 1 1010 . 1 1 92 92 LEU HD12 H 1 1.031 0.000 . 1 . . . . . . . . 5719 1 1011 . 1 1 92 92 LEU HD13 H 1 1.031 0.000 . 1 . . . . . . . . 5719 1 1012 . 1 1 92 92 LEU CD2 C 13 25.955 0.000 . 1 . . . . . . . . 5719 1 1013 . 1 1 92 92 LEU HD21 H 1 1.069 0.000 . 1 . . . . . . . . 5719 1 1014 . 1 1 92 92 LEU HD22 H 1 1.069 0.000 . 1 . . . . . . . . 5719 1 1015 . 1 1 92 92 LEU HD23 H 1 1.069 0.000 . 1 . . . . . . . . 5719 1 1016 . 1 1 92 92 LEU C C 13 174.430 0.000 . 1 . . . . . . . . 5719 1 1017 . 1 1 93 93 ILE N N 15 127.306 0.053 . 1 . . . . . . . . 5719 1 1018 . 1 1 93 93 ILE H H 1 8.442 0.010 . 1 . . . . . . . . 5719 1 1019 . 1 1 93 93 ILE CA C 13 60.178 0.000 . 1 . . . . . . . . 5719 1 1020 . 1 1 93 93 ILE HA H 1 5.113 0.000 . 1 . . . . . . . . 5719 1 1021 . 1 1 93 93 ILE CB C 13 40.510 0.000 . 1 . . . . . . . . 5719 1 1022 . 1 1 93 93 ILE HB H 1 1.710 0.000 . 1 . . . . . . . . 5719 1 1023 . 1 1 93 93 ILE CG2 C 13 20.027 0.000 . 1 . . . . . . . . 5719 1 1024 . 1 1 93 93 ILE HG21 H 1 0.781 0.000 . 1 . . . . . . . . 5719 1 1025 . 1 1 93 93 ILE HG22 H 1 0.781 0.000 . 1 . . . . . . . . 5719 1 1026 . 1 1 93 93 ILE HG23 H 1 0.781 0.000 . 1 . . . . . . . . 5719 1 1027 . 1 1 93 93 ILE CG1 C 13 28.611 0.000 . 1 . . . . . . . . 5719 1 1028 . 1 1 93 93 ILE HG12 H 1 0.985 0.000 . 1 . . . . . . . . 5719 1 1029 . 1 1 93 93 ILE HG13 H 1 1.394 0.000 . 1 . . . . . . . . 5719 1 1030 . 1 1 93 93 ILE CD1 C 13 14.705 0.000 . 1 . . . . . . . . 5719 1 1031 . 1 1 93 93 ILE HD11 H 1 0.674 0.000 . 1 . . . . . . . . 5719 1 1032 . 1 1 93 93 ILE HD12 H 1 0.674 0.000 . 1 . . . . . . . . 5719 1 1033 . 1 1 93 93 ILE HD13 H 1 0.674 0.000 . 1 . . . . . . . . 5719 1 1034 . 1 1 93 93 ILE C C 13 174.900 0.000 . 1 . . . . . . . . 5719 1 1035 . 1 1 94 94 LEU N N 15 126.056 0.053 . 1 . . . . . . . . 5719 1 1036 . 1 1 94 94 LEU H H 1 9.211 0.018 . 1 . . . . . . . . 5719 1 1037 . 1 1 94 94 LEU CA C 13 52.834 0.000 . 1 . . . . . . . . 5719 1 1038 . 1 1 94 94 LEU HA H 1 5.079 0.000 . 1 . . . . . . . . 5719 1 1039 . 1 1 94 94 LEU CB C 13 48.611 0.000 . 1 . . . . . . . . 5719 1 1040 . 1 1 94 94 LEU HB2 H 1 1.990 0.000 . 1 . . . . . . . . 5719 1 1041 . 1 1 94 94 LEU HB3 H 1 1.706 0.000 . 1 . . . . . . . . 5719 1 1042 . 1 1 94 94 LEU CG C 13 27.049 0.000 . 1 . . . . . . . . 5719 1 1043 . 1 1 94 94 LEU HG H 1 1.732 0.000 . 1 . . . . . . . . 5719 1 1044 . 1 1 94 94 LEU CD1 C 13 26.302 0.000 . 1 . . . . . . . . 5719 1 1045 . 1 1 94 94 LEU HD11 H 1 0.969 0.000 . 1 . . . . . . . . 5719 1 1046 . 1 1 94 94 LEU HD12 H 1 0.969 0.000 . 1 . . . . . . . . 5719 1 1047 . 1 1 94 94 LEU HD13 H 1 0.969 0.000 . 1 . . . . . . . . 5719 1 1048 . 1 1 94 94 LEU CD2 C 13 24.074 0.000 . 1 . . . . . . . . 5719 1 1049 . 1 1 94 94 LEU HD21 H 1 1.153 0.000 . 1 . . . . . . . . 5719 1 1050 . 1 1 94 94 LEU HD22 H 1 1.153 0.000 . 1 . . . . . . . . 5719 1 1051 . 1 1 94 94 LEU HD23 H 1 1.153 0.000 . 1 . . . . . . . . 5719 1 1052 . 1 1 94 94 LEU C C 13 177.360 0.000 . 1 . . . . . . . . 5719 1 1053 . 1 1 95 95 PHE N N 15 121.003 0.000 . 1 . . . . . . . . 5719 1 1054 . 1 1 95 95 PHE H H 1 9.827 0.000 . 1 . . . . . . . . 5719 1 1055 . 1 1 95 95 PHE CA C 13 62.209 0.000 . 1 . . . . . . . . 5719 1 1056 . 1 1 95 95 PHE HA H 1 4.712 0.000 . 1 . . . . . . . . 5719 1 1057 . 1 1 95 95 PHE CB C 13 37.986 0.000 . 1 . . . . . . . . 5719 1 1058 . 1 1 95 95 PHE HB2 H 1 3.094 0.000 . 1 . . . . . . . . 5719 1 1059 . 1 1 95 95 PHE HB3 H 1 3.810 0.000 . 1 . . . . . . . . 5719 1 1060 . 1 1 95 95 PHE CD1 C 13 132.093 0.000 . 1 . . . . . . . . 5719 1 1061 . 1 1 95 95 PHE HD1 H 1 7.690 0.000 . 1 . . . . . . . . 5719 1 1062 . 1 1 95 95 PHE CE1 C 13 131.280 0.000 . 1 . . . . . . . . 5719 1 1063 . 1 1 95 95 PHE HE1 H 1 7.438 0.000 . 1 . . . . . . . . 5719 1 1064 . 1 1 95 95 PHE CZ C 13 128.464 0.000 . 1 . . . . . . . . 5719 1 1065 . 1 1 95 95 PHE HZ H 1 7.065 0.000 . 1 . . . . . . . . 5719 1 1066 . 1 1 95 95 PHE CE2 C 13 131.280 0.000 . 1 . . . . . . . . 5719 1 1067 . 1 1 95 95 PHE HE2 H 1 7.438 0.000 . 1 . . . . . . . . 5719 1 1068 . 1 1 95 95 PHE CD2 C 13 132.093 0.000 . 1 . . . . . . . . 5719 1 1069 . 1 1 95 95 PHE HD2 H 1 7.690 0.000 . 1 . . . . . . . . 5719 1 1070 . 1 1 95 95 PHE C C 13 178.030 0.000 . 1 . . . . . . . . 5719 1 1071 . 1 1 96 96 LYS N N 15 125.431 0.072 . 1 . . . . . . . . 5719 1 1072 . 1 1 96 96 LYS H H 1 9.181 0.011 . 1 . . . . . . . . 5719 1 1073 . 1 1 96 96 LYS CA C 13 61.272 0.000 . 1 . . . . . . . . 5719 1 1074 . 1 1 96 96 LYS HA H 1 3.971 0.000 . 1 . . . . . . . . 5719 1 1075 . 1 1 96 96 LYS CB C 13 33.299 0.000 . 1 . . . . . . . . 5719 1 1076 . 1 1 96 96 LYS HB2 H 1 1.508 0.000 . 1 . . . . . . . . 5719 1 1077 . 1 1 96 96 LYS HB3 H 1 2.035 0.000 . 1 . . . . . . . . 5719 1 1078 . 1 1 96 96 LYS CG C 13 25.486 0.000 . 1 . . . . . . . . 5719 1 1079 . 1 1 96 96 LYS HG2 H 1 1.160 0.000 . 1 . . . . . . . . 5719 1 1080 . 1 1 96 96 LYS HG3 H 1 1.395 0.000 . 1 . . . . . . . . 5719 1 1081 . 1 1 96 96 LYS CD C 13 30.643 0.000 . 1 . . . . . . . . 5719 1 1082 . 1 1 96 96 LYS HD2 H 1 1.096 0.000 . 1 . . . . . . . . 5719 1 1083 . 1 1 96 96 LYS HD3 H 1 1.523 0.000 . 1 . . . . . . . . 5719 1 1084 . 1 1 96 96 LYS CE C 13 41.711 0.000 . 1 . . . . . . . . 5719 1 1085 . 1 1 96 96 LYS HE2 H 1 2.775 0.000 . 1 . . . . . . . . 5719 1 1086 . 1 1 96 96 LYS HE3 H 1 2.990 0.000 . 1 . . . . . . . . 5719 1 1087 . 1 1 96 96 LYS C C 13 177.390 0.000 . 1 . . . . . . . . 5719 1 1088 . 1 1 97 97 ASP N N 15 116.306 0.053 . 1 . . . . . . . . 5719 1 1089 . 1 1 97 97 ASP H H 1 9.602 0.014 . 1 . . . . . . . . 5719 1 1090 . 1 1 97 97 ASP CA C 13 57.209 0.000 . 1 . . . . . . . . 5719 1 1091 . 1 1 97 97 ASP HA H 1 4.646 0.000 . 1 . . . . . . . . 5719 1 1092 . 1 1 97 97 ASP CB C 13 40.330 0.000 . 1 . . . . . . . . 5719 1 1093 . 1 1 97 97 ASP HB2 H 1 2.653 0.000 . 1 . . . . . . . . 5719 1 1094 . 1 1 97 97 ASP HB3 H 1 2.701 0.000 . 1 . . . . . . . . 5719 1 1095 . 1 1 97 97 ASP C C 13 178.960 0.000 . 1 . . . . . . . . 5719 1 1096 . 1 1 98 98 ASP N N 15 120.556 0.053 . 1 . . . . . . . . 5719 1 1097 . 1 1 98 98 ASP H H 1 7.271 0.018 . 1 . . . . . . . . 5719 1 1098 . 1 1 98 98 ASP CA C 13 56.584 0.000 . 1 . . . . . . . . 5719 1 1099 . 1 1 98 98 ASP HA H 1 4.681 0.000 . 1 . . . . . . . . 5719 1 1100 . 1 1 98 98 ASP CB C 13 40.955 0.000 . 1 . . . . . . . . 5719 1 1101 . 1 1 98 98 ASP HB2 H 1 2.925 0.000 . 1 . . . . . . . . 5719 1 1102 . 1 1 98 98 ASP HB3 H 1 3.076 0.000 . 1 . . . . . . . . 5719 1 1103 . 1 1 98 98 ASP C C 13 178.070 0.000 . 1 . . . . . . . . 5719 1 1104 . 1 1 99 99 TYR N N 15 121.681 0.072 . 1 . . . . . . . . 5719 1 1105 . 1 1 99 99 TYR H H 1 8.115 0.013 . 1 . . . . . . . . 5719 1 1106 . 1 1 99 99 TYR CA C 13 60.803 0.000 . 1 . . . . . . . . 5719 1 1107 . 1 1 99 99 TYR HA H 1 3.950 0.000 . 1 . . . . . . . . 5719 1 1108 . 1 1 99 99 TYR CB C 13 36.736 0.000 . 1 . . . . . . . . 5719 1 1109 . 1 1 99 99 TYR HB2 H 1 2.553 0.000 . 1 . . . . . . . . 5719 1 1110 . 1 1 99 99 TYR HB3 H 1 3.078 0.000 . 1 . . . . . . . . 5719 1 1111 . 1 1 99 99 TYR CD1 C 13 131.593 0.000 . 1 . . . . . . . . 5719 1 1112 . 1 1 99 99 TYR HD1 H 1 6.032 0.000 . 1 . . . . . . . . 5719 1 1113 . 1 1 99 99 TYR CE1 C 13 117.481 0.000 . 1 . . . . . . . . 5719 1 1114 . 1 1 99 99 TYR HE1 H 1 6.351 0.000 . 1 . . . . . . . . 5719 1 1115 . 1 1 99 99 TYR CE2 C 13 117.481 0.000 . 1 . . . . . . . . 5719 1 1116 . 1 1 99 99 TYR HE2 H 1 6.351 0.000 . 1 . . . . . . . . 5719 1 1117 . 1 1 99 99 TYR CD2 C 13 131.593 0.000 . 1 . . . . . . . . 5719 1 1118 . 1 1 99 99 TYR HD2 H 1 6.032 0.000 . 1 . . . . . . . . 5719 1 1119 . 1 1 99 99 TYR C C 13 176.930 0.000 . 1 . . . . . . . . 5719 1 1120 . 1 1 100 100 PHE N N 15 117.056 0.053 . 1 . . . . . . . . 5719 1 1121 . 1 1 100 100 PHE H H 1 7.920 0.019 . 1 . . . . . . . . 5719 1 1122 . 1 1 100 100 PHE CA C 13 60.803 0.000 . 1 . . . . . . . . 5719 1 1123 . 1 1 100 100 PHE HA H 1 3.865 0.000 . 1 . . . . . . . . 5719 1 1124 . 1 1 100 100 PHE CB C 13 38.299 0.000 . 1 . . . . . . . . 5719 1 1125 . 1 1 100 100 PHE HB2 H 1 3.011 0.000 . 1 . . . . . . . . 5719 1 1126 . 1 1 100 100 PHE HB3 H 1 3.169 0.000 . 1 . . . . . . . . 5719 1 1127 . 1 1 100 100 PHE CD1 C 13 130.811 0.000 . 1 . . . . . . . . 5719 1 1128 . 1 1 100 100 PHE HD1 H 1 7.400 0.000 . 1 . . . . . . . . 5719 1 1129 . 1 1 100 100 PHE CD2 C 13 130.811 0.000 . 1 . . . . . . . . 5719 1 1130 . 1 1 100 100 PHE HD2 H 1 7.400 0.000 . 1 . . . . . . . . 5719 1 1131 . 1 1 100 100 PHE C C 13 178.033 0.000 . 1 . . . . . . . . 5719 1 1132 . 1 1 101 101 ALA N N 15 122.556 0.053 . 1 . . . . . . . . 5719 1 1133 . 1 1 101 101 ALA H H 1 8.020 0.015 . 1 . . . . . . . . 5719 1 1134 . 1 1 101 101 ALA CA C 13 54.709 0.000 . 1 . . . . . . . . 5719 1 1135 . 1 1 101 101 ALA HA H 1 4.205 0.000 . 1 . . . . . . . . 5719 1 1136 . 1 1 101 101 ALA CB C 13 18.142 0.000 . 1 . . . . . . . . 5719 1 1137 . 1 1 101 101 ALA HB1 H 1 1.601 0.000 . 1 . . . . . . . . 5719 1 1138 . 1 1 101 101 ALA HB2 H 1 1.601 0.000 . 1 . . . . . . . . 5719 1 1139 . 1 1 101 101 ALA HB3 H 1 1.601 0.000 . 1 . . . . . . . . 5719 1 1140 . 1 1 101 101 ALA C C 13 180.080 0.000 . 1 . . . . . . . . 5719 1 1141 . 1 1 102 102 LYS N N 15 118.931 0.072 . 1 . . . . . . . . 5719 1 1142 . 1 1 102 102 LYS H H 1 7.873 0.014 . 1 . . . . . . . . 5719 1 1143 . 1 1 102 102 LYS CA C 13 57.990 0.000 . 1 . . . . . . . . 5719 1 1144 . 1 1 102 102 LYS HA H 1 4.090 0.000 . 1 . . . . . . . . 5719 1 1145 . 1 1 102 102 LYS CB C 13 32.361 0.000 . 1 . . . . . . . . 5719 1 1146 . 1 1 102 102 LYS HB2 H 1 1.807 0.000 . 1 . . . . . . . . 5719 1 1147 . 1 1 102 102 LYS HB3 H 1 1.873 0.000 . 1 . . . . . . . . 5719 1 1148 . 1 1 102 102 LYS CG C 13 25.018 0.000 . 1 . . . . . . . . 5719 1 1149 . 1 1 102 102 LYS HG2 H 1 1.430 0.000 . 1 . . . . . . . . 5719 1 1150 . 1 1 102 102 LYS HG3 H 1 1.559 0.000 . 1 . . . . . . . . 5719 1 1151 . 1 1 102 102 LYS CD C 13 28.957 0.000 . 1 . . . . . . . . 5719 1 1152 . 1 1 102 102 LYS HD2 H 1 1.640 0.000 . 1 . . . . . . . . 5719 1 1153 . 1 1 102 102 LYS HD3 H 1 1.640 0.000 . 1 . . . . . . . . 5719 1 1154 . 1 1 102 102 LYS C C 13 178.690 0.000 . 1 . . . . . . . . 5719 1 1155 . 1 1 103 103 LYS N N 15 119.931 0.072 . 1 . . . . . . . . 5719 1 1156 . 1 1 103 103 LYS H H 1 7.809 0.020 . 1 . . . . . . . . 5719 1 1157 . 1 1 103 103 LYS CA C 13 57.053 0.000 . 1 . . . . . . . . 5719 1 1158 . 1 1 103 103 LYS HA H 1 3.991 0.000 . 1 . . . . . . . . 5719 1 1159 . 1 1 103 103 LYS CB C 13 31.459 0.000 . 1 . . . . . . . . 5719 1 1160 . 1 1 103 103 LYS HB2 H 1 1.571 0.000 . 1 . . . . . . . . 5719 1 1161 . 1 1 103 103 LYS HB3 H 1 1.649 0.000 . 1 . . . . . . . . 5719 1 1162 . 1 1 103 103 LYS CG C 13 23.601 0.000 . 1 . . . . . . . . 5719 1 1163 . 1 1 103 103 LYS HG2 H 1 1.127 0.000 . 1 . . . . . . . . 5719 1 1164 . 1 1 103 103 LYS HG3 H 1 1.127 0.000 . 1 . . . . . . . . 5719 1 1165 . 1 1 103 103 LYS CD C 13 27.966 0.000 . 1 . . . . . . . . 5719 1 1166 . 1 1 103 103 LYS HD2 H 1 1.484 0.000 . 1 . . . . . . . . 5719 1 1167 . 1 1 103 103 LYS HD3 H 1 1.484 0.000 . 1 . . . . . . . . 5719 1 1168 . 1 1 103 103 LYS C C 13 178.230 0.000 . 1 . . . . . . . . 5719 1 1169 . 1 1 104 104 ASN N N 15 117.806 0.053 . 1 . . . . . . . . 5719 1 1170 . 1 1 104 104 ASN H H 1 8.089 0.017 . 1 . . . . . . . . 5719 1 1171 . 1 1 104 104 ASN CA C 13 54.397 0.000 . 1 . . . . . . . . 5719 1 1172 . 1 1 104 104 ASN HA H 1 4.577 0.000 . 1 . . . . . . . . 5719 1 1173 . 1 1 104 104 ASN CB C 13 38.455 0.000 . 1 . . . . . . . . 5719 1 1174 . 1 1 104 104 ASN HB2 H 1 2.827 0.000 . 1 . . . . . . . . 5719 1 1175 . 1 1 104 104 ASN HB3 H 1 2.865 0.000 . 1 . . . . . . . . 5719 1 1176 . 1 1 104 104 ASN C C 13 176.553 0.000 . 1 . . . . . . . . 5719 1 1177 . 1 1 105 105 GLU N N 15 120.431 0.072 . 1 . . . . . . . . 5719 1 1178 . 1 1 105 105 GLU H H 1 7.939 0.015 . 1 . . . . . . . . 5719 1 1179 . 1 1 105 105 GLU CA C 13 57.365 0.000 . 1 . . . . . . . . 5719 1 1180 . 1 1 105 105 GLU HA H 1 4.178 0.000 . 1 . . . . . . . . 5719 1 1181 . 1 1 105 105 GLU CB C 13 29.705 0.000 . 1 . . . . . . . . 5719 1 1182 . 1 1 105 105 GLU HB2 H 1 2.071 0.000 . 1 . . . . . . . . 5719 1 1183 . 1 1 105 105 GLU HB3 H 1 2.122 0.000 . 1 . . . . . . . . 5719 1 1184 . 1 1 105 105 GLU CG C 13 35.955 0.000 . 1 . . . . . . . . 5719 1 1185 . 1 1 105 105 GLU HG2 H 1 2.312 0.000 . 1 . . . . . . . . 5719 1 1186 . 1 1 105 105 GLU HG3 H 1 2.312 0.000 . 1 . . . . . . . . 5719 1 1187 . 1 1 105 105 GLU C C 13 177.630 0.000 . 1 . . . . . . . . 5719 1 1188 . 1 1 106 106 GLU N N 15 120.431 0.072 . 1 . . . . . . . . 5719 1 1189 . 1 1 106 106 GLU H H 1 8.077 0.018 . 1 . . . . . . . . 5719 1 1190 . 1 1 106 106 GLU CA C 13 57.365 0.000 . 1 . . . . . . . . 5719 1 1191 . 1 1 106 106 GLU HA H 1 4.153 0.000 . 1 . . . . . . . . 5719 1 1192 . 1 1 106 106 GLU CB C 13 29.849 0.000 . 1 . . . . . . . . 5719 1 1193 . 1 1 106 106 GLU HB2 H 1 2.065 0.000 . 1 . . . . . . . . 5719 1 1194 . 1 1 106 106 GLU HB3 H 1 2.065 0.000 . 1 . . . . . . . . 5719 1 1195 . 1 1 106 106 GLU CG C 13 36.111 0.000 . 1 . . . . . . . . 5719 1 1196 . 1 1 106 106 GLU HG2 H 1 2.258 0.000 . 1 . . . . . . . . 5719 1 1197 . 1 1 106 106 GLU HG3 H 1 2.408 0.000 . 1 . . . . . . . . 5719 1 1198 . 1 1 106 106 GLU C C 13 177.440 0.000 . 1 . . . . . . . . 5719 1 1199 . 1 1 107 107 ARG N N 15 120.181 0.072 . 1 . . . . . . . . 5719 1 1200 . 1 1 107 107 ARG H H 1 8.021 0.013 . 1 . . . . . . . . 5719 1 1201 . 1 1 107 107 ARG CA C 13 56.584 0.000 . 1 . . . . . . . . 5719 1 1202 . 1 1 107 107 ARG HA H 1 4.256 0.000 . 1 . . . . . . . . 5719 1 1203 . 1 1 107 107 ARG CB C 13 30.199 0.000 . 1 . . . . . . . . 5719 1 1204 . 1 1 107 107 ARG HB2 H 1 1.853 0.000 . 1 . . . . . . . . 5719 1 1205 . 1 1 107 107 ARG HB3 H 1 1.912 0.000 . 1 . . . . . . . . 5719 1 1206 . 1 1 107 107 ARG CG C 13 27.214 0.000 . 1 . . . . . . . . 5719 1 1207 . 1 1 107 107 ARG HG2 H 1 1.658 0.000 . 1 . . . . . . . . 5719 1 1208 . 1 1 107 107 ARG HG3 H 1 1.728 0.000 . 1 . . . . . . . . 5719 1 1209 . 1 1 107 107 ARG CD C 13 43.309 0.000 . 1 . . . . . . . . 5719 1 1210 . 1 1 107 107 ARG HD2 H 1 3.225 0.000 . 1 . . . . . . . . 5719 1 1211 . 1 1 107 107 ARG HD3 H 1 3.225 0.000 . 1 . . . . . . . . 5719 1 1212 . 1 1 107 107 ARG C C 13 177.030 0.000 . 1 . . . . . . . . 5719 1 1213 . 1 1 108 108 LYS N N 15 121.181 0.072 . 1 . . . . . . . . 5719 1 1214 . 1 1 108 108 LYS H H 1 8.043 0.010 . 1 . . . . . . . . 5719 1 1215 . 1 1 108 108 LYS CA C 13 56.740 0.000 . 1 . . . . . . . . 5719 1 1216 . 1 1 108 108 LYS HA H 1 4.255 0.000 . 1 . . . . . . . . 5719 1 1217 . 1 1 108 108 LYS CB C 13 32.674 0.000 . 1 . . . . . . . . 5719 1 1218 . 1 1 108 108 LYS HB2 H 1 1.815 0.000 . 1 . . . . . . . . 5719 1 1219 . 1 1 108 108 LYS HB3 H 1 1.897 0.000 . 1 . . . . . . . . 5719 1 1220 . 1 1 108 108 LYS CG C 13 24.705 0.000 . 1 . . . . . . . . 5719 1 1221 . 1 1 108 108 LYS HG2 H 1 1.438 0.000 . 1 . . . . . . . . 5719 1 1222 . 1 1 108 108 LYS HG3 H 1 1.525 0.000 . 1 . . . . . . . . 5719 1 1223 . 1 1 108 108 LYS CD C 13 28.924 0.000 . 1 . . . . . . . . 5719 1 1224 . 1 1 108 108 LYS HD2 H 1 1.692 0.000 . 1 . . . . . . . . 5719 1 1225 . 1 1 108 108 LYS HD3 H 1 1.692 0.000 . 1 . . . . . . . . 5719 1 1226 . 1 1 108 108 LYS CE C 13 42.049 0.000 . 1 . . . . . . . . 5719 1 1227 . 1 1 108 108 LYS HE2 H 1 2.992 0.000 . 1 . . . . . . . . 5719 1 1228 . 1 1 108 108 LYS HE3 H 1 2.992 0.000 . 1 . . . . . . . . 5719 1 1229 . 1 1 108 108 LYS C C 13 176.980 0.000 . 1 . . . . . . . . 5719 1 1230 . 1 1 109 109 GLN N N 15 119.806 0.053 . 1 . . . . . . . . 5719 1 1231 . 1 1 109 109 GLN H H 1 8.197 0.015 . 1 . . . . . . . . 5719 1 1232 . 1 1 109 109 GLN CA C 13 55.647 0.000 . 1 . . . . . . . . 5719 1 1233 . 1 1 109 109 GLN HA H 1 4.319 0.000 . 1 . . . . . . . . 5719 1 1234 . 1 1 109 109 GLN CB C 13 29.236 0.000 . 1 . . . . . . . . 5719 1 1235 . 1 1 109 109 GLN HB2 H 1 2.031 0.000 . 1 . . . . . . . . 5719 1 1236 . 1 1 109 109 GLN HB3 H 1 2.143 0.000 . 1 . . . . . . . . 5719 1 1237 . 1 1 109 109 GLN CG C 13 33.611 0.000 . 1 . . . . . . . . 5719 1 1238 . 1 1 109 109 GLN HG2 H 1 2.414 0.000 . 1 . . . . . . . . 5719 1 1239 . 1 1 109 109 GLN HG3 H 1 2.414 0.000 . 1 . . . . . . . . 5719 1 1240 . 1 1 109 109 GLN C C 13 175.730 0.000 . 1 . . . . . . . . 5719 1 1241 . 1 1 110 110 ASN N N 15 119.431 0.072 . 1 . . . . . . . . 5719 1 1242 . 1 1 110 110 ASN H H 1 8.326 0.015 . 1 . . . . . . . . 5719 1 1243 . 1 1 110 110 ASN CA C 13 53.281 0.000 . 1 . . . . . . . . 5719 1 1244 . 1 1 110 110 ASN HA H 1 4.764 0.000 . 1 . . . . . . . . 5719 1 1245 . 1 1 110 110 ASN CB C 13 38.768 0.000 . 1 . . . . . . . . 5719 1 1246 . 1 1 110 110 ASN HB2 H 1 2.760 0.000 . 1 . . . . . . . . 5719 1 1247 . 1 1 110 110 ASN HB3 H 1 2.854 0.000 . 1 . . . . . . . . 5719 1 1248 . 1 1 110 110 ASN C C 13 177.374 0.000 . 1 . . . . . . . . 5719 1 1249 . 1 1 111 111 LYS N N 15 121.806 0.053 . 1 . . . . . . . . 5719 1 1250 . 1 1 111 111 LYS H H 1 8.223 0.015 . 1 . . . . . . . . 5719 1 1251 . 1 1 111 111 LYS CA C 13 55.959 0.000 . 1 . . . . . . . . 5719 1 1252 . 1 1 111 111 LYS HA H 1 4.360 0.000 . 1 . . . . . . . . 5719 1 1253 . 1 1 111 111 LYS CB C 13 33.126 0.000 . 1 . . . . . . . . 5719 1 1254 . 1 1 111 111 LYS HB2 H 1 1.776 0.000 . 1 . . . . . . . . 5719 1 1255 . 1 1 111 111 LYS HB3 H 1 1.847 0.000 . 1 . . . . . . . . 5719 1 1256 . 1 1 111 111 LYS CG C 13 24.561 0.000 . 1 . . . . . . . . 5719 1 1257 . 1 1 111 111 LYS HG2 H 1 1.383 0.000 . 1 . . . . . . . . 5719 1 1258 . 1 1 111 111 LYS HG3 H 1 1.424 0.000 . 1 . . . . . . . . 5719 1 1259 . 1 1 111 111 LYS CD C 13 28.611 0.000 . 1 . . . . . . . . 5719 1 1260 . 1 1 111 111 LYS HD2 H 1 1.711 0.000 . 1 . . . . . . . . 5719 1 1261 . 1 1 111 111 LYS HD3 H 1 1.853 0.000 . 1 . . . . . . . . 5719 1 1262 . 1 1 111 111 LYS C C 13 176.140 0.000 . 1 . . . . . . . . 5719 1 1263 . 1 1 112 112 VAL N N 15 122.681 0.072 . 1 . . . . . . . . 5719 1 1264 . 1 1 112 112 VAL H H 1 8.271 0.013 . 1 . . . . . . . . 5719 1 1265 . 1 1 112 112 VAL CA C 13 62.053 0.000 . 1 . . . . . . . . 5719 1 1266 . 1 1 112 112 VAL HA H 1 4.147 0.000 . 1 . . . . . . . . 5719 1 1267 . 1 1 112 112 VAL CB C 13 32.662 0.000 . 1 . . . . . . . . 5719 1 1268 . 1 1 112 112 VAL HB H 1 2.097 0.000 . 1 . . . . . . . . 5719 1 1269 . 1 1 112 112 VAL CG1 C 13 20.159 0.000 . 1 . . . . . . . . 5719 1 1270 . 1 1 112 112 VAL HG11 H 1 0.941 0.000 . 1 . . . . . . . . 5719 1 1271 . 1 1 112 112 VAL HG12 H 1 0.941 0.000 . 1 . . . . . . . . 5719 1 1272 . 1 1 112 112 VAL HG13 H 1 0.941 0.000 . 1 . . . . . . . . 5719 1 1273 . 1 1 112 112 VAL CG2 C 13 21.315 0.000 . 1 . . . . . . . . 5719 1 1274 . 1 1 112 112 VAL HG21 H 1 0.937 0.000 . 1 . . . . . . . . 5719 1 1275 . 1 1 112 112 VAL HG22 H 1 0.937 0.000 . 1 . . . . . . . . 5719 1 1276 . 1 1 112 112 VAL HG23 H 1 0.937 0.000 . 1 . . . . . . . . 5719 1 1277 . 1 1 112 112 VAL C C 13 175.250 0.000 . 1 . . . . . . . . 5719 1 1278 . 1 1 113 113 GLU N N 15 129.657 0.068 . 1 . . . . . . . . 5719 1 1279 . 1 1 113 113 GLU H H 1 8.035 0.014 . 1 . . . . . . . . 5719 1 1280 . 1 1 113 113 GLU CA C 13 57.522 0.000 . 1 . . . . . . . . 5719 1 1281 . 1 1 113 113 GLU HA H 1 4.160 0.000 . 1 . . . . . . . . 5719 1 1282 . 1 1 113 113 GLU CB C 13 31.096 0.000 . 1 . . . . . . . . 5719 1 1283 . 1 1 113 113 GLU HB2 H 1 1.906 0.000 . 1 . . . . . . . . 5719 1 1284 . 1 1 113 113 GLU HB3 H 1 2.036 0.000 . 1 . . . . . . . . 5719 1 1285 . 1 1 113 113 GLU CG C 13 36.268 0.000 . 1 . . . . . . . . 5719 1 1286 . 1 1 113 113 GLU HG2 H 1 2.225 0.000 . 1 . . . . . . . . 5719 1 1287 . 1 1 113 113 GLU HG3 H 1 2.225 0.000 . 1 . . . . . . . . 5719 1 stop_ save_