data_4114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4114 _Entry.Title ; Chicken B-MYB DNA Binding Domain, Repeat 2 and Repeat 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-02-23 _Entry.Accession_date 1998-02-23 _Entry.Last_release_date 2001-07-09 _Entry.Original_release_date 2001-07-09 _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 P. McIntosh . B. . 4114 2 M. Carr . D. . 4114 3 U. Wollborn . . . 4114 4 T. Frenkiel . A. . 4114 5 J. Feeney . . . 4114 6 J. McCormick . E. . 4114 7 K. Klempnauer . H. . 4114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 4114 '15N chemical shifts' 127 4114 '1H chemical shifts' 827 4114 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 . . 2001-07-09 1998-02-23 original author . 4114 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9657674 _Citation.Full_citation . _Citation.Title ; Solution Structure of the B-MYB DNA-binding Domain: Evidence for a Key Role for Conformational Instability of the Protein in DNA-binding and Control of Gene Expression ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9619 _Citation.Page_last 9629 _Citation.Year 1998 _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 P. McIntosh . B. . 4114 1 2 M. Carr . D. . 4114 1 3 U. Wollborn . . . 4114 1 4 T. Frenkiel . A. . 4114 1 5 J. Feeney . . . 4114 1 6 J. McCormick . E. . 4114 1 7 K. Klempnauer . H. . 4114 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding protein' 4114 1 'protooncogene product' 4114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_B-MYB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_B-MYB _Assembly.Entry_ID 4114 _Assembly.ID 1 _Assembly.Name B-MYB _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 'all free' _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 4114 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 B-MYB 1 $B-MYB . . . native . . . . . 4114 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1A5J . . . . . . 4114 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID B-MYB abbreviation 4114 1 B-MYB system 4114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B-MYB _Entity.Sf_category entity _Entity.Sf_framecode B-MYB _Entity.Entry_ID 4114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name B-MYB _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 ; GIPDLVKGPWTKEEDQKVIE LVKKYGTKQWTLIAKHLKGR LGKQCRERWHNHLNPEVKKS SWTEEEDRIIFEAHKVLGNR WAEIAKLLPGRTDNAVKNHW NSTIKRKVDT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A5J . "Chicken B-Myb Dna Binding Domain, Repeat 2 And Repeat3, Nmr, 32 Structures" . . . . . 99.09 110 100.00 100.00 2.32e-71 . . . . 4114 1 2 no DBJ BAC25979 . "unnamed protein product [Mus musculus]" . . . . . 98.18 704 97.22 98.15 6.10e-66 . . . . 4114 1 3 no DBJ BAG37322 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 4 no DBJ BAH13925 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 4.01e-66 . . . . 4114 1 5 no DBJ BAI46683 . "v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 6 no EMBL CAA31655 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 7 no EMBL CAA47839 . "B-myb [Gallus gallus]" . . . . . 98.18 686 100.00 100.00 4.53e-68 . . . . 4114 1 8 no EMBL CAA49898 . "B-myb [Mus musculus]" . . . . . 98.18 704 97.22 98.15 6.10e-66 . . . . 4114 1 9 no GB AAH07585 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 10 no GB AAH50842 . "Myeloblastosis oncogene-like 2 [Mus musculus]" . . . . . 98.18 704 97.22 98.15 6.10e-66 . . . . 4114 1 11 no GB AAH53555 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 12 no GB AAI18124 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 5.05e-66 . . . . 4114 1 13 no GB AAP36828 . "Homo sapiens v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 701 97.22 98.15 8.00e-66 . . . . 4114 1 14 no REF NP_001068916 . "myb-related protein B [Bos taurus]" . . . . . 98.18 695 97.22 98.15 5.05e-66 . . . . 4114 1 15 no REF NP_001100006 . "myb-related protein B [Rattus norvegicus]" . . . . . 98.18 704 97.22 98.15 6.49e-66 . . . . 4114 1 16 no REF NP_001231398 . "myb-related protein B [Sus scrofa]" . . . . . 98.18 697 97.22 98.15 3.54e-66 . . . . 4114 1 17 no REF NP_001252784 . "myb-related protein B [Macaca mulatta]" . . . . . 98.18 700 97.22 98.15 5.50e-66 . . . . 4114 1 18 no REF NP_001265539 . "myb-related protein B isoform 2 [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 4.01e-66 . . . . 4114 1 19 no SP P10244 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2" . . . . . 98.18 700 97.22 98.15 7.89e-66 . . . . 4114 1 20 no SP P48972 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2" . . . . . 98.18 704 97.22 98.15 6.10e-66 . . . . 4114 1 21 no SP Q03237 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2" . . . . . 98.18 686 100.00 100.00 4.53e-68 . . . . 4114 1 22 no TPG DAA23198 . "TPA: v-myb myeloblastosis viral oncogene homolog-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 5.05e-66 . . . . 4114 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID B-MYB abbreviation 4114 1 B-MYB common 4114 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 . GLY . 4114 1 2 . ILE . 4114 1 3 . PRO . 4114 1 4 . ASP . 4114 1 5 . LEU . 4114 1 6 . VAL . 4114 1 7 . LYS . 4114 1 8 . GLY . 4114 1 9 . PRO . 4114 1 10 . TRP . 4114 1 11 . THR . 4114 1 12 . LYS . 4114 1 13 . GLU . 4114 1 14 . GLU . 4114 1 15 . ASP . 4114 1 16 . GLN . 4114 1 17 . LYS . 4114 1 18 . VAL . 4114 1 19 . ILE . 4114 1 20 . GLU . 4114 1 21 . LEU . 4114 1 22 . VAL . 4114 1 23 . LYS . 4114 1 24 . LYS . 4114 1 25 . TYR . 4114 1 26 . GLY . 4114 1 27 . THR . 4114 1 28 . LYS . 4114 1 29 . GLN . 4114 1 30 . TRP . 4114 1 31 . THR . 4114 1 32 . LEU . 4114 1 33 . ILE . 4114 1 34 . ALA . 4114 1 35 . LYS . 4114 1 36 . HIS . 4114 1 37 . LEU . 4114 1 38 . LYS . 4114 1 39 . GLY . 4114 1 40 . ARG . 4114 1 41 . LEU . 4114 1 42 . GLY . 4114 1 43 . LYS . 4114 1 44 . GLN . 4114 1 45 . CYS . 4114 1 46 . ARG . 4114 1 47 . GLU . 4114 1 48 . ARG . 4114 1 49 . TRP . 4114 1 50 . HIS . 4114 1 51 . ASN . 4114 1 52 . HIS . 4114 1 53 . LEU . 4114 1 54 . ASN . 4114 1 55 . PRO . 4114 1 56 . GLU . 4114 1 57 . VAL . 4114 1 58 . LYS . 4114 1 59 . LYS . 4114 1 60 . SER . 4114 1 61 . SER . 4114 1 62 . TRP . 4114 1 63 . THR . 4114 1 64 . GLU . 4114 1 65 . GLU . 4114 1 66 . GLU . 4114 1 67 . ASP . 4114 1 68 . ARG . 4114 1 69 . ILE . 4114 1 70 . ILE . 4114 1 71 . PHE . 4114 1 72 . GLU . 4114 1 73 . ALA . 4114 1 74 . HIS . 4114 1 75 . LYS . 4114 1 76 . VAL . 4114 1 77 . LEU . 4114 1 78 . GLY . 4114 1 79 . ASN . 4114 1 80 . ARG . 4114 1 81 . TRP . 4114 1 82 . ALA . 4114 1 83 . GLU . 4114 1 84 . ILE . 4114 1 85 . ALA . 4114 1 86 . LYS . 4114 1 87 . LEU . 4114 1 88 . LEU . 4114 1 89 . PRO . 4114 1 90 . GLY . 4114 1 91 . ARG . 4114 1 92 . THR . 4114 1 93 . ASP . 4114 1 94 . ASN . 4114 1 95 . ALA . 4114 1 96 . VAL . 4114 1 97 . LYS . 4114 1 98 . ASN . 4114 1 99 . HIS . 4114 1 100 . TRP . 4114 1 101 . ASN . 4114 1 102 . SER . 4114 1 103 . THR . 4114 1 104 . ILE . 4114 1 105 . LYS . 4114 1 106 . ARG . 4114 1 107 . LYS . 4114 1 108 . VAL . 4114 1 109 . ASP . 4114 1 110 . THR . 4114 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 . GLY 1 1 4114 1 . ILE 2 2 4114 1 . PRO 3 3 4114 1 . ASP 4 4 4114 1 . LEU 5 5 4114 1 . VAL 6 6 4114 1 . LYS 7 7 4114 1 . GLY 8 8 4114 1 . PRO 9 9 4114 1 . TRP 10 10 4114 1 . THR 11 11 4114 1 . LYS 12 12 4114 1 . GLU 13 13 4114 1 . GLU 14 14 4114 1 . ASP 15 15 4114 1 . GLN 16 16 4114 1 . LYS 17 17 4114 1 . VAL 18 18 4114 1 . ILE 19 19 4114 1 . GLU 20 20 4114 1 . LEU 21 21 4114 1 . VAL 22 22 4114 1 . LYS 23 23 4114 1 . LYS 24 24 4114 1 . TYR 25 25 4114 1 . GLY 26 26 4114 1 . THR 27 27 4114 1 . LYS 28 28 4114 1 . GLN 29 29 4114 1 . TRP 30 30 4114 1 . THR 31 31 4114 1 . LEU 32 32 4114 1 . ILE 33 33 4114 1 . ALA 34 34 4114 1 . LYS 35 35 4114 1 . HIS 36 36 4114 1 . LEU 37 37 4114 1 . LYS 38 38 4114 1 . GLY 39 39 4114 1 . ARG 40 40 4114 1 . LEU 41 41 4114 1 . GLY 42 42 4114 1 . LYS 43 43 4114 1 . GLN 44 44 4114 1 . CYS 45 45 4114 1 . ARG 46 46 4114 1 . GLU 47 47 4114 1 . ARG 48 48 4114 1 . TRP 49 49 4114 1 . HIS 50 50 4114 1 . ASN 51 51 4114 1 . HIS 52 52 4114 1 . LEU 53 53 4114 1 . ASN 54 54 4114 1 . PRO 55 55 4114 1 . GLU 56 56 4114 1 . VAL 57 57 4114 1 . LYS 58 58 4114 1 . LYS 59 59 4114 1 . SER 60 60 4114 1 . SER 61 61 4114 1 . TRP 62 62 4114 1 . THR 63 63 4114 1 . GLU 64 64 4114 1 . GLU 65 65 4114 1 . GLU 66 66 4114 1 . ASP 67 67 4114 1 . ARG 68 68 4114 1 . ILE 69 69 4114 1 . ILE 70 70 4114 1 . PHE 71 71 4114 1 . GLU 72 72 4114 1 . ALA 73 73 4114 1 . HIS 74 74 4114 1 . LYS 75 75 4114 1 . VAL 76 76 4114 1 . LEU 77 77 4114 1 . GLY 78 78 4114 1 . ASN 79 79 4114 1 . ARG 80 80 4114 1 . TRP 81 81 4114 1 . ALA 82 82 4114 1 . GLU 83 83 4114 1 . ILE 84 84 4114 1 . ALA 85 85 4114 1 . LYS 86 86 4114 1 . LEU 87 87 4114 1 . LEU 88 88 4114 1 . PRO 89 89 4114 1 . GLY 90 90 4114 1 . ARG 91 91 4114 1 . THR 92 92 4114 1 . ASP 93 93 4114 1 . ASN 94 94 4114 1 . ALA 95 95 4114 1 . VAL 96 96 4114 1 . LYS 97 97 4114 1 . ASN 98 98 4114 1 . HIS 99 99 4114 1 . TRP 100 100 4114 1 . ASN 101 101 4114 1 . SER 102 102 4114 1 . THR 103 103 4114 1 . ILE 104 104 4114 1 . LYS 105 105 4114 1 . ARG 106 106 4114 1 . LYS 107 107 4114 1 . VAL 108 108 4114 1 . ASP 109 109 4114 1 . THR 110 110 4114 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 4114 _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 $B-MYB . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . pGEX-3X . . . . . . 4114 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 4114 _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 $B-MYB . 'recombinant technology' 'Escherichia coli' 'ESCHERICHIA COLI' . . Escherichia coli HB101 . . . . . . . . . . . . PLASMID . . . . . . . . . 4114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4114 _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 B-MYB . . . 1 $B-MYB . . . . . mM . . . . 4114 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4114 _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 . n/a 4114 1 temperature 288 . K 4114 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4114 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4114 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 VARIAN UNITY . 600 . . . 4114 1 2 NMR_spectrometer_2 VARIAN UNITY . 500 . . . 4114 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 4114 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 4 '2D 1H/13C HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 5 '2D F2 12C-FILTERED TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 6 '3D 1H/13C HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 7 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 9 '3D 1H/15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 10 NOESY-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 11 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 12 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 13 HMQC-NOESY-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 14 ROESY-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 15 TOCSY-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 16 '3D-1H/15N/13C CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 17 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4114 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H/13C HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D F2 12C-FILTERED TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H/13C HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H/15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HMQC-NOESY-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name ROESY-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name TOCSY-HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D-1H/15N/13C CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4114 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4114 _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 . . . . . . ppm . . . . . . . . . . . . . 4114 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 4114 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 4114 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4114 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.860 . . 1 . . . . . . . . 4114 1 2 . 1 1 1 1 GLY HA3 H 1 3.860 . . 1 . . . . . . . . 4114 1 3 . 1 1 1 1 GLY CA C 13 43.000 . . 1 . . . . . . . . 4114 1 4 . 1 1 2 2 ILE H H 1 8.600 . . 1 . . . . . . . . 4114 1 5 . 1 1 2 2 ILE HA H 1 4.490 . . 1 . . . . . . . . 4114 1 6 . 1 1 2 2 ILE HB H 1 1.890 . . 1 . . . . . . . . 4114 1 7 . 1 1 2 2 ILE HG12 H 1 1.520 . . 1 . . . . . . . . 4114 1 8 . 1 1 2 2 ILE HG13 H 1 1.200 . . 1 . . . . . . . . 4114 1 9 . 1 1 2 2 ILE HG21 H 1 0.990 . . 1 . . . . . . . . 4114 1 10 . 1 1 2 2 ILE HG22 H 1 0.990 . . 1 . . . . . . . . 4114 1 11 . 1 1 2 2 ILE HG23 H 1 0.990 . . 1 . . . . . . . . 4114 1 12 . 1 1 2 2 ILE HD11 H 1 0.870 . . 1 . . . . . . . . 4114 1 13 . 1 1 2 2 ILE HD12 H 1 0.870 . . 1 . . . . . . . . 4114 1 14 . 1 1 2 2 ILE HD13 H 1 0.870 . . 1 . . . . . . . . 4114 1 15 . 1 1 2 2 ILE CA C 13 59.580 . . 1 . . . . . . . . 4114 1 16 . 1 1 2 2 ILE CB C 13 38.400 . . 1 . . . . . . . . 4114 1 17 . 1 1 2 2 ILE CG1 C 13 26.920 . . 1 . . . . . . . . 4114 1 18 . 1 1 2 2 ILE CG2 C 13 17.420 . . 1 . . . . . . . . 4114 1 19 . 1 1 2 2 ILE CD1 C 13 12.920 . . 1 . . . . . . . . 4114 1 20 . 1 1 2 2 ILE N N 15 121.350 . . 1 . . . . . . . . 4114 1 21 . 1 1 3 3 PRO HA H 1 4.410 . . 1 . . . . . . . . 4114 1 22 . 1 1 3 3 PRO HB2 H 1 2.300 . . 1 . . . . . . . . 4114 1 23 . 1 1 3 3 PRO HB3 H 1 1.870 . . 1 . . . . . . . . 4114 1 24 . 1 1 3 3 PRO HG2 H 1 2.020 . . 1 . . . . . . . . 4114 1 25 . 1 1 3 3 PRO HG3 H 1 2.020 . . 1 . . . . . . . . 4114 1 26 . 1 1 3 3 PRO HD2 H 1 3.900 . . 1 . . . . . . . . 4114 1 27 . 1 1 3 3 PRO HD3 H 1 3.700 . . 1 . . . . . . . . 4114 1 28 . 1 1 4 4 ASP H H 1 8.380 . . 1 . . . . . . . . 4114 1 29 . 1 1 4 4 ASP HA H 1 4.520 . . 1 . . . . . . . . 4114 1 30 . 1 1 4 4 ASP HB3 H 1 2.670 . . 1 . . . . . . . . 4114 1 31 . 1 1 4 4 ASP HB2 H 1 2.550 . . 1 . . . . . . . . 4114 1 32 . 1 1 4 4 ASP CA C 13 54.530 . . 1 . . . . . . . . 4114 1 33 . 1 1 4 4 ASP CB C 13 41.150 . . 1 . . . . . . . . 4114 1 34 . 1 1 4 4 ASP N N 15 120.400 . . 1 . . . . . . . . 4114 1 35 . 1 1 5 5 LEU H H 1 8.140 . . 1 . . . . . . . . 4114 1 36 . 1 1 5 5 LEU HA H 1 4.340 . . 1 . . . . . . . . 4114 1 37 . 1 1 5 5 LEU HB2 H 1 1.560 . . 1 . . . . . . . . 4114 1 38 . 1 1 5 5 LEU HB3 H 1 1.560 . . 1 . . . . . . . . 4114 1 39 . 1 1 5 5 LEU HG H 1 1.610 . . 1 . . . . . . . . 4114 1 40 . 1 1 5 5 LEU HD11 H 1 0.940 . . 2 . . . . . . . . 4114 1 41 . 1 1 5 5 LEU HD12 H 1 0.940 . . 2 . . . . . . . . 4114 1 42 . 1 1 5 5 LEU HD13 H 1 0.940 . . 2 . . . . . . . . 4114 1 43 . 1 1 5 5 LEU HD21 H 1 0.860 . . 2 . . . . . . . . 4114 1 44 . 1 1 5 5 LEU HD22 H 1 0.860 . . 2 . . . . . . . . 4114 1 45 . 1 1 5 5 LEU HD23 H 1 0.860 . . 2 . . . . . . . . 4114 1 46 . 1 1 5 5 LEU CA C 13 55.200 . . 1 . . . . . . . . 4114 1 47 . 1 1 5 5 LEU N N 15 122.540 . . 1 . . . . . . . . 4114 1 48 . 1 1 6 6 VAL H H 1 8.390 . . 1 . . . . . . . . 4114 1 49 . 1 1 6 6 VAL HA H 1 4.030 . . 1 . . . . . . . . 4114 1 50 . 1 1 6 6 VAL HB H 1 2.000 . . 1 . . . . . . . . 4114 1 51 . 1 1 6 6 VAL HG11 H 1 0.920 . . 2 . . . . . . . . 4114 1 52 . 1 1 6 6 VAL HG12 H 1 0.920 . . 2 . . . . . . . . 4114 1 53 . 1 1 6 6 VAL HG13 H 1 0.920 . . 2 . . . . . . . . 4114 1 54 . 1 1 6 6 VAL HG21 H 1 0.890 . . 2 . . . . . . . . 4114 1 55 . 1 1 6 6 VAL HG22 H 1 0.890 . . 2 . . . . . . . . 4114 1 56 . 1 1 6 6 VAL HG23 H 1 0.890 . . 2 . . . . . . . . 4114 1 57 . 1 1 6 6 VAL CA C 13 62.530 . . 1 . . . . . . . . 4114 1 58 . 1 1 6 6 VAL CB C 13 32.800 . . 1 . . . . . . . . 4114 1 59 . 1 1 6 6 VAL CG1 C 13 21.020 . . 1 . . . . . . . . 4114 1 60 . 1 1 6 6 VAL CG2 C 13 21.020 . . 1 . . . . . . . . 4114 1 61 . 1 1 6 6 VAL N N 15 122.540 . . 1 . . . . . . . . 4114 1 62 . 1 1 7 7 LYS H H 1 8.550 . . 1 . . . . . . . . 4114 1 63 . 1 1 7 7 LYS HA H 1 4.280 . . 1 . . . . . . . . 4114 1 64 . 1 1 7 7 LYS HB2 H 1 1.780 . . 1 . . . . . . . . 4114 1 65 . 1 1 7 7 LYS HB3 H 1 1.740 . . 1 . . . . . . . . 4114 1 66 . 1 1 7 7 LYS HG2 H 1 1.420 . . 1 . . . . . . . . 4114 1 67 . 1 1 7 7 LYS HG3 H 1 1.420 . . 1 . . . . . . . . 4114 1 68 . 1 1 7 7 LYS HD2 H 1 1.660 . . 1 . . . . . . . . 4114 1 69 . 1 1 7 7 LYS HD3 H 1 1.660 . . 1 . . . . . . . . 4114 1 70 . 1 1 7 7 LYS HE2 H 1 2.940 . . 1 . . . . . . . . 4114 1 71 . 1 1 7 7 LYS HE3 H 1 2.940 . . 1 . . . . . . . . 4114 1 72 . 1 1 7 7 LYS CA C 13 56.380 . . 1 . . . . . . . . 4114 1 73 . 1 1 7 7 LYS CB C 13 33.250 . . 1 . . . . . . . . 4114 1 74 . 1 1 7 7 LYS CG C 13 24.770 . . 1 . . . . . . . . 4114 1 75 . 1 1 7 7 LYS CD C 13 28.820 . . 1 . . . . . . . . 4114 1 76 . 1 1 7 7 LYS CE C 13 41.900 . . 1 . . . . . . . . 4114 1 77 . 1 1 7 7 LYS N N 15 125.870 . . 1 . . . . . . . . 4114 1 78 . 1 1 8 8 GLY H H 1 8.130 . . 1 . . . . . . . . 4114 1 79 . 1 1 8 8 GLY HA2 H 1 4.150 . . 1 . . . . . . . . 4114 1 80 . 1 1 8 8 GLY HA3 H 1 4.010 . . 1 . . . . . . . . 4114 1 81 . 1 1 8 8 GLY CA C 13 44.550 . . 1 . . . . . . . . 4114 1 82 . 1 1 8 8 GLY N N 15 109.470 . . 1 . . . . . . . . 4114 1 83 . 1 1 9 9 PRO HA H 1 4.530 . . 1 . . . . . . . . 4114 1 84 . 1 1 9 9 PRO HB2 H 1 2.360 . . 1 . . . . . . . . 4114 1 85 . 1 1 9 9 PRO HB3 H 1 1.900 . . 1 . . . . . . . . 4114 1 86 . 1 1 9 9 PRO HG2 H 1 2.010 . . 1 . . . . . . . . 4114 1 87 . 1 1 9 9 PRO HG3 H 1 2.010 . . 1 . . . . . . . . 4114 1 88 . 1 1 9 9 PRO HD2 H 1 3.690 . . 1 . . . . . . . . 4114 1 89 . 1 1 9 9 PRO HD3 H 1 3.620 . . 1 . . . . . . . . 4114 1 90 . 1 1 10 10 TRP H H 1 8.560 . . 1 . . . . . . . . 4114 1 91 . 1 1 10 10 TRP HA H 1 4.270 . . 1 . . . . . . . . 4114 1 92 . 1 1 10 10 TRP HB3 H 1 3.360 . . 1 . . . . . . . . 4114 1 93 . 1 1 10 10 TRP HB2 H 1 2.820 . . 1 . . . . . . . . 4114 1 94 . 1 1 10 10 TRP HD1 H 1 7.340 . . 1 . . . . . . . . 4114 1 95 . 1 1 10 10 TRP HE1 H 1 10.000 . . 1 . . . . . . . . 4114 1 96 . 1 1 10 10 TRP HE3 H 1 7.710 . . 1 . . . . . . . . 4114 1 97 . 1 1 10 10 TRP HZ2 H 1 7.010 . . 1 . . . . . . . . 4114 1 98 . 1 1 10 10 TRP HZ3 H 1 6.910 . . 1 . . . . . . . . 4114 1 99 . 1 1 10 10 TRP HH2 H 1 7.270 . . 1 . . . . . . . . 4114 1 100 . 1 1 10 10 TRP CA C 13 58.510 . . 1 . . . . . . . . 4114 1 101 . 1 1 10 10 TRP CB C 13 28.880 . . 1 . . . . . . . . 4114 1 102 . 1 1 10 10 TRP CD1 C 13 130.600 . . 1 . . . . . . . . 4114 1 103 . 1 1 10 10 TRP CE3 C 13 123.187 . . 1 . . . . . . . . 4114 1 104 . 1 1 10 10 TRP CZ2 C 13 113.241 . . 1 . . . . . . . . 4114 1 105 . 1 1 10 10 TRP CZ3 C 13 121.322 . . 1 . . . . . . . . 4114 1 106 . 1 1 10 10 TRP CH2 C 13 123.908 . . 1 . . . . . . . . 4114 1 107 . 1 1 10 10 TRP N N 15 123.490 . . 1 . . . . . . . . 4114 1 108 . 1 1 10 10 TRP NE1 N 15 128.200 . . 1 . . . . . . . . 4114 1 109 . 1 1 11 11 THR H H 1 8.880 . . 1 . . . . . . . . 4114 1 110 . 1 1 11 11 THR HA H 1 4.700 . . 1 . . . . . . . . 4114 1 111 . 1 1 11 11 THR HB H 1 4.810 . . 1 . . . . . . . . 4114 1 112 . 1 1 11 11 THR HG21 H 1 1.310 . . 1 . . . . . . . . 4114 1 113 . 1 1 11 11 THR HG22 H 1 1.310 . . 1 . . . . . . . . 4114 1 114 . 1 1 11 11 THR HG23 H 1 1.310 . . 1 . . . . . . . . 4114 1 115 . 1 1 11 11 THR CA C 13 59.990 . . 1 . . . . . . . . 4114 1 116 . 1 1 11 11 THR CB C 13 71.953 . . 1 . . . . . . . . 4114 1 117 . 1 1 11 11 THR CG2 C 13 21.869 . . 1 . . . . . . . . 4114 1 118 . 1 1 11 11 THR N N 15 116.840 . . 1 . . . . . . . . 4114 1 119 . 1 1 12 12 LYS H H 1 8.970 . . 1 . . . . . . . . 4114 1 120 . 1 1 12 12 LYS HA H 1 4.220 . . 1 . . . . . . . . 4114 1 121 . 1 1 12 12 LYS HB2 H 1 1.990 . . 1 . . . . . . . . 4114 1 122 . 1 1 12 12 LYS HB3 H 1 1.880 . . 1 . . . . . . . . 4114 1 123 . 1 1 12 12 LYS HG2 H 1 1.610 . . 1 . . . . . . . . 4114 1 124 . 1 1 12 12 LYS HG3 H 1 1.570 . . 1 . . . . . . . . 4114 1 125 . 1 1 12 12 LYS HD2 H 1 1.780 . . 1 . . . . . . . . 4114 1 126 . 1 1 12 12 LYS HD3 H 1 1.780 . . 1 . . . . . . . . 4114 1 127 . 1 1 12 12 LYS HE2 H 1 3.050 . . 1 . . . . . . . . 4114 1 128 . 1 1 12 12 LYS HE3 H 1 3.050 . . 1 . . . . . . . . 4114 1 129 . 1 1 12 12 LYS CA C 13 59.130 . . 1 . . . . . . . . 4114 1 130 . 1 1 12 12 LYS CB C 13 32.150 . . 1 . . . . . . . . 4114 1 131 . 1 1 12 12 LYS CG C 13 24.920 . . 1 . . . . . . . . 4114 1 132 . 1 1 12 12 LYS CD C 13 28.820 . . 1 . . . . . . . . 4114 1 133 . 1 1 12 12 LYS CE C 13 42.000 . . 1 . . . . . . . . 4114 1 134 . 1 1 12 12 LYS N N 15 121.590 . . 1 . . . . . . . . 4114 1 135 . 1 1 13 13 GLU H H 1 8.790 . . 1 . . . . . . . . 4114 1 136 . 1 1 13 13 GLU HA H 1 4.110 . . 1 . . . . . . . . 4114 1 137 . 1 1 13 13 GLU HB2 H 1 2.160 . . 1 . . . . . . . . 4114 1 138 . 1 1 13 13 GLU HB3 H 1 1.960 . . 1 . . . . . . . . 4114 1 139 . 1 1 13 13 GLU HG2 H 1 2.460 . . 1 . . . . . . . . 4114 1 140 . 1 1 13 13 GLU HG3 H 1 2.320 . . 1 . . . . . . . . 4114 1 141 . 1 1 13 13 GLU CA C 13 60.330 . . 1 . . . . . . . . 4114 1 142 . 1 1 13 13 GLU CB C 13 30.037 . . 1 . . . . . . . . 4114 1 143 . 1 1 13 13 GLU CG C 13 37.350 . . 1 . . . . . . . . 4114 1 144 . 1 1 13 13 GLU N N 15 118.740 . . 1 . . . . . . . . 4114 1 145 . 1 1 14 14 GLU H H 1 7.940 . . 1 . . . . . . . . 4114 1 146 . 1 1 14 14 GLU HA H 1 4.010 . . 1 . . . . . . . . 4114 1 147 . 1 1 14 14 GLU HB2 H 1 2.660 . . 1 . . . . . . . . 4114 1 148 . 1 1 14 14 GLU HB3 H 1 2.430 . . 1 . . . . . . . . 4114 1 149 . 1 1 14 14 GLU HG2 H 1 2.520 . . 1 . . . . . . . . 4114 1 150 . 1 1 14 14 GLU HG3 H 1 2.070 . . 1 . . . . . . . . 4114 1 151 . 1 1 14 14 GLU CA C 13 60.280 . . 1 . . . . . . . . 4114 1 152 . 1 1 14 14 GLU CB C 13 32.100 . . 1 . . . . . . . . 4114 1 153 . 1 1 14 14 GLU CG C 13 38.556 . . 1 . . . . . . . . 4114 1 154 . 1 1 14 14 GLU N N 15 7.940 . . 1 . . . . . . . . 4114 1 155 . 1 1 15 15 ASP H H 1 8.610 . . 1 . . . . . . . . 4114 1 156 . 1 1 15 15 ASP HA H 1 4.580 . . 1 . . . . . . . . 4114 1 157 . 1 1 15 15 ASP HB2 H 1 2.987 . . 1 . . . . . . . . 4114 1 158 . 1 1 15 15 ASP HB3 H 1 2.558 . . 1 . . . . . . . . 4114 1 159 . 1 1 15 15 ASP CA C 13 57.767 . . 1 . . . . . . . . 4114 1 160 . 1 1 15 15 ASP CB C 13 40.758 . . 1 . . . . . . . . 4114 1 161 . 1 1 15 15 ASP N N 15 120.640 . . 1 . . . . . . . . 4114 1 162 . 1 1 16 16 GLN H H 1 8.260 . . 1 . . . . . . . . 4114 1 163 . 1 1 16 16 GLN HA H 1 4.060 . . 1 . . . . . . . . 4114 1 164 . 1 1 16 16 GLN HB3 H 1 2.280 . . 1 . . . . . . . . 4114 1 165 . 1 1 16 16 GLN HB2 H 1 2.170 . . 1 . . . . . . . . 4114 1 166 . 1 1 16 16 GLN HG2 H 1 2.600 . . 1 . . . . . . . . 4114 1 167 . 1 1 16 16 GLN HG3 H 1 2.530 . . 1 . . . . . . . . 4114 1 168 . 1 1 16 16 GLN HE21 H 1 7.820 . . 1 . . . . . . . . 4114 1 169 . 1 1 16 16 GLN HE22 H 1 7.020 . . 1 . . . . . . . . 4114 1 170 . 1 1 16 16 GLN CA C 13 58.780 . . 1 . . . . . . . . 4114 1 171 . 1 1 16 16 GLN CB C 13 28.193 . . 1 . . . . . . . . 4114 1 172 . 1 1 16 16 GLN CG C 13 34.000 . . 1 . . . . . . . . 4114 1 173 . 1 1 16 16 GLN N N 15 116.840 . . 1 . . . . . . . . 4114 1 174 . 1 1 16 16 GLN NE2 N 15 112.240 . . 1 . . . . . . . . 4114 1 175 . 1 1 17 17 LYS H H 1 7.930 . . 1 . . . . . . . . 4114 1 176 . 1 1 17 17 LYS HA H 1 4.240 . . 1 . . . . . . . . 4114 1 177 . 1 1 17 17 LYS HB2 H 1 2.180 . . 1 . . . . . . . . 4114 1 178 . 1 1 17 17 LYS HB3 H 1 2.090 . . 1 . . . . . . . . 4114 1 179 . 1 1 17 17 LYS HG2 H 1 1.710 . . 1 . . . . . . . . 4114 1 180 . 1 1 17 17 LYS HG3 H 1 1.610 . . 1 . . . . . . . . 4114 1 181 . 1 1 17 17 LYS HD2 H 1 1.820 . . 1 . . . . . . . . 4114 1 182 . 1 1 17 17 LYS HD3 H 1 1.820 . . 1 . . . . . . . . 4114 1 183 . 1 1 17 17 LYS HE2 H 1 3.050 . . 1 . . . . . . . . 4114 1 184 . 1 1 17 17 LYS HE3 H 1 3.050 . . 1 . . . . . . . . 4114 1 185 . 1 1 17 17 LYS CA C 13 59.280 . . 1 . . . . . . . . 4114 1 186 . 1 1 17 17 LYS CB C 13 32.000 . . 1 . . . . . . . . 4114 1 187 . 1 1 17 17 LYS CG C 13 25.116 . . 1 . . . . . . . . 4114 1 188 . 1 1 17 17 LYS CD C 13 28.920 . . 1 . . . . . . . . 4114 1 189 . 1 1 17 17 LYS CE C 13 42.040 . . 1 . . . . . . . . 4114 1 190 . 1 1 17 17 LYS N N 15 120.400 . . 1 . . . . . . . . 4114 1 191 . 1 1 18 18 VAL H H 1 8.650 . . 1 . . . . . . . . 4114 1 192 . 1 1 18 18 VAL HA H 1 3.600 . . 1 . . . . . . . . 4114 1 193 . 1 1 18 18 VAL HB H 1 2.540 . . 1 . . . . . . . . 4114 1 194 . 1 1 18 18 VAL HG11 H 1 1.150 . . 2 . . . . . . . . 4114 1 195 . 1 1 18 18 VAL HG12 H 1 1.150 . . 2 . . . . . . . . 4114 1 196 . 1 1 18 18 VAL HG13 H 1 1.150 . . 2 . . . . . . . . 4114 1 197 . 1 1 18 18 VAL HG21 H 1 1.400 . . 2 . . . . . . . . 4114 1 198 . 1 1 18 18 VAL HG22 H 1 1.400 . . 2 . . . . . . . . 4114 1 199 . 1 1 18 18 VAL HG23 H 1 1.400 . . 2 . . . . . . . . 4114 1 200 . 1 1 18 18 VAL CA C 13 68.530 . . 1 . . . . . . . . 4114 1 201 . 1 1 18 18 VAL CB C 13 31.300 . . 1 . . . . . . . . 4114 1 202 . 1 1 18 18 VAL CG1 C 13 22.920 . . 1 . . . . . . . . 4114 1 203 . 1 1 18 18 VAL CG2 C 13 25.370 . . 1 . . . . . . . . 4114 1 204 . 1 1 18 18 VAL N N 15 119.450 . . 1 . . . . . . . . 4114 1 205 . 1 1 19 19 ILE H H 1 8.250 . . 1 . . . . . . . . 4114 1 206 . 1 1 19 19 ILE HA H 1 3.700 . . 1 . . . . . . . . 4114 1 207 . 1 1 19 19 ILE HB H 1 2.100 . . 1 . . . . . . . . 4114 1 208 . 1 1 19 19 ILE HG12 H 1 2.120 . . 1 . . . . . . . . 4114 1 209 . 1 1 19 19 ILE HG13 H 1 1.300 . . 1 . . . . . . . . 4114 1 210 . 1 1 19 19 ILE HG21 H 1 1.070 . . 1 . . . . . . . . 4114 1 211 . 1 1 19 19 ILE HG22 H 1 1.070 . . 1 . . . . . . . . 4114 1 212 . 1 1 19 19 ILE HG23 H 1 1.070 . . 1 . . . . . . . . 4114 1 213 . 1 1 19 19 ILE HD11 H 1 1.020 . . 1 . . . . . . . . 4114 1 214 . 1 1 19 19 ILE HD12 H 1 1.020 . . 1 . . . . . . . . 4114 1 215 . 1 1 19 19 ILE HD13 H 1 1.020 . . 1 . . . . . . . . 4114 1 216 . 1 1 19 19 ILE CA C 13 66.880 . . 1 . . . . . . . . 4114 1 217 . 1 1 19 19 ILE CB C 13 38.500 . . 1 . . . . . . . . 4114 1 218 . 1 1 19 19 ILE CG1 C 13 30.040 . . 1 . . . . . . . . 4114 1 219 . 1 1 19 19 ILE CG2 C 13 17.220 . . 1 . . . . . . . . 4114 1 220 . 1 1 19 19 ILE CD1 C 13 14.070 . . 1 . . . . . . . . 4114 1 221 . 1 1 19 19 ILE N N 15 118.980 . . 1 . . . . . . . . 4114 1 222 . 1 1 20 20 GLU H H 1 8.150 . . 1 . . . . . . . . 4114 1 223 . 1 1 20 20 GLU HA H 1 4.000 . . 1 . . . . . . . . 4114 1 224 . 1 1 20 20 GLU HB2 H 1 2.250 . . 1 . . . . . . . . 4114 1 225 . 1 1 20 20 GLU HB3 H 1 2.160 . . 1 . . . . . . . . 4114 1 226 . 1 1 20 20 GLU HG2 H 1 2.470 . . 1 . . . . . . . . 4114 1 227 . 1 1 20 20 GLU HG3 H 1 2.280 . . 1 . . . . . . . . 4114 1 228 . 1 1 20 20 GLU CA C 13 59.280 . . 1 . . . . . . . . 4114 1 229 . 1 1 20 20 GLU CB C 13 29.720 . . 1 . . . . . . . . 4114 1 230 . 1 1 20 20 GLU CG C 13 36.200 . . 1 . . . . . . . . 4114 1 231 . 1 1 20 20 GLU N N 15 118.980 . . 1 . . . . . . . . 4114 1 232 . 1 1 21 21 LEU H H 1 8.840 . . 1 . . . . . . . . 4114 1 233 . 1 1 21 21 LEU HA H 1 4.090 . . 1 . . . . . . . . 4114 1 234 . 1 1 21 21 LEU HB2 H 1 2.110 . . 1 . . . . . . . . 4114 1 235 . 1 1 21 21 LEU HB3 H 1 1.400 . . 1 . . . . . . . . 4114 1 236 . 1 1 21 21 LEU HG H 1 1.980 . . 1 . . . . . . . . 4114 1 237 . 1 1 21 21 LEU HD11 H 1 0.890 . . 2 . . . . . . . . 4114 1 238 . 1 1 21 21 LEU HD12 H 1 0.890 . . 2 . . . . . . . . 4114 1 239 . 1 1 21 21 LEU HD13 H 1 0.890 . . 2 . . . . . . . . 4114 1 240 . 1 1 21 21 LEU HD21 H 1 0.680 . . 2 . . . . . . . . 4114 1 241 . 1 1 21 21 LEU HD22 H 1 0.680 . . 2 . . . . . . . . 4114 1 242 . 1 1 21 21 LEU HD23 H 1 0.680 . . 2 . . . . . . . . 4114 1 243 . 1 1 21 21 LEU CA C 13 57.767 . . 1 . . . . . . . . 4114 1 244 . 1 1 21 21 LEU N N 15 121.350 . . 1 . . . . . . . . 4114 1 245 . 1 1 22 22 VAL H H 1 8.920 . . 1 . . . . . . . . 4114 1 246 . 1 1 22 22 VAL HA H 1 3.420 . . 1 . . . . . . . . 4114 1 247 . 1 1 22 22 VAL HB H 1 1.440 . . 1 . . . . . . . . 4114 1 248 . 1 1 22 22 VAL HG11 H 1 -0.360 . . 2 . . . . . . . . 4114 1 249 . 1 1 22 22 VAL HG12 H 1 -0.360 . . 2 . . . . . . . . 4114 1 250 . 1 1 22 22 VAL HG13 H 1 -0.360 . . 2 . . . . . . . . 4114 1 251 . 1 1 22 22 VAL HG21 H 1 0.270 . . 2 . . . . . . . . 4114 1 252 . 1 1 22 22 VAL HG22 H 1 0.270 . . 2 . . . . . . . . 4114 1 253 . 1 1 22 22 VAL HG23 H 1 0.270 . . 2 . . . . . . . . 4114 1 254 . 1 1 22 22 VAL CA C 13 65.630 . . 1 . . . . . . . . 4114 1 255 . 1 1 22 22 VAL CB C 13 31.100 . . 1 . . . . . . . . 4114 1 256 . 1 1 22 22 VAL CG1 C 13 20.620 . . 1 . . . . . . . . 4114 1 257 . 1 1 22 22 VAL CG2 C 13 23.920 . . 1 . . . . . . . . 4114 1 258 . 1 1 22 22 VAL N N 15 123.260 . . 1 . . . . . . . . 4114 1 259 . 1 1 23 23 LYS H H 1 7.620 . . 1 . . . . . . . . 4114 1 260 . 1 1 23 23 LYS HA H 1 3.870 . . 1 . . . . . . . . 4114 1 261 . 1 1 23 23 LYS HB2 H 1 1.940 . . 1 . . . . . . . . 4114 1 262 . 1 1 23 23 LYS HB3 H 1 1.940 . . 1 . . . . . . . . 4114 1 263 . 1 1 23 23 LYS HG2 H 1 1.590 . . 1 . . . . . . . . 4114 1 264 . 1 1 23 23 LYS HG3 H 1 1.390 . . 1 . . . . . . . . 4114 1 265 . 1 1 23 23 LYS HD2 H 1 1.700 . . 1 . . . . . . . . 4114 1 266 . 1 1 23 23 LYS HD3 H 1 1.700 . . 1 . . . . . . . . 4114 1 267 . 1 1 23 23 LYS HE2 H 1 2.950 . . 1 . . . . . . . . 4114 1 268 . 1 1 23 23 LYS HE3 H 1 2.950 . . 1 . . . . . . . . 4114 1 269 . 1 1 23 23 LYS CA C 13 59.480 . . 1 . . . . . . . . 4114 1 270 . 1 1 23 23 LYS CB C 13 31.900 . . 1 . . . . . . . . 4114 1 271 . 1 1 23 23 LYS CG C 13 25.270 . . 1 . . . . . . . . 4114 1 272 . 1 1 23 23 LYS CD C 13 29.520 . . 1 . . . . . . . . 4114 1 273 . 1 1 23 23 LYS CE C 13 42.200 . . 1 . . . . . . . . 4114 1 274 . 1 1 23 23 LYS N N 15 121.120 . . 1 . . . . . . . . 4114 1 275 . 1 1 24 24 LYS H H 1 7.150 . . 1 . . . . . . . . 4114 1 276 . 1 1 24 24 LYS HA H 1 3.900 . . 1 . . . . . . . . 4114 1 277 . 1 1 24 24 LYS HB2 H 1 1.470 . . 1 . . . . . . . . 4114 1 278 . 1 1 24 24 LYS HB3 H 1 1.240 . . 1 . . . . . . . . 4114 1 279 . 1 1 24 24 LYS HG2 H 1 0.900 . . 1 . . . . . . . . 4114 1 280 . 1 1 24 24 LYS HG3 H 1 0.300 . . 1 . . . . . . . . 4114 1 281 . 1 1 24 24 LYS HD2 H 1 1.340 . . 1 . . . . . . . . 4114 1 282 . 1 1 24 24 LYS HD3 H 1 1.200 . . 1 . . . . . . . . 4114 1 283 . 1 1 24 24 LYS HE2 H 1 2.750 . . 1 . . . . . . . . 4114 1 284 . 1 1 24 24 LYS HE3 H 1 2.700 . . 1 . . . . . . . . 4114 1 285 . 1 1 24 24 LYS CA C 13 58.700 . . 1 . . . . . . . . 4114 1 286 . 1 1 24 24 LYS CB C 13 33.900 . . 1 . . . . . . . . 4114 1 287 . 1 1 24 24 LYS CG C 13 24.620 . . 1 . . . . . . . . 4114 1 288 . 1 1 24 24 LYS CD C 13 29.370 . . 1 . . . . . . . . 4114 1 289 . 1 1 24 24 LYS CE C 13 41.700 . . 1 . . . . . . . . 4114 1 290 . 1 1 24 24 LYS N N 15 116.840 . . 1 . . . . . . . . 4114 1 291 . 1 1 25 25 TYR H H 1 8.800 . . 1 . . . . . . . . 4114 1 292 . 1 1 25 25 TYR HA H 1 4.570 . . 1 . . . . . . . . 4114 1 293 . 1 1 25 25 TYR HB3 H 1 2.950 . . 1 . . . . . . . . 4114 1 294 . 1 1 25 25 TYR HB2 H 1 2.510 . . 1 . . . . . . . . 4114 1 295 . 1 1 25 25 TYR HD1 H 1 7.050 . . 1 . . . . . . . . 4114 1 296 . 1 1 25 25 TYR HD2 H 1 7.060 . . 1 . . . . . . . . 4114 1 297 . 1 1 25 25 TYR HE1 H 1 6.610 . . 1 . . . . . . . . 4114 1 298 . 1 1 25 25 TYR HE2 H 1 6.620 . . 1 . . . . . . . . 4114 1 299 . 1 1 25 25 TYR CA C 13 58.450 . . 1 . . . . . . . . 4114 1 300 . 1 1 25 25 TYR CB C 13 39.650 . . 1 . . . . . . . . 4114 1 301 . 1 1 25 25 TYR CD1 C 13 133.134 . . 1 . . . . . . . . 4114 1 302 . 1 1 25 25 TYR CD2 C 13 133.134 . . 1 . . . . . . . . 4114 1 303 . 1 1 25 25 TYR CE1 C 13 118.214 . . 1 . . . . . . . . 4114 1 304 . 1 1 25 25 TYR CE2 C 13 118.214 . . 1 . . . . . . . . 4114 1 305 . 1 1 25 25 TYR N N 15 114.700 . . 1 . . . . . . . . 4114 1 306 . 1 1 26 26 GLY H H 1 8.480 . . 1 . . . . . . . . 4114 1 307 . 1 1 26 26 GLY HA2 H 1 4.200 . . 1 . . . . . . . . 4114 1 308 . 1 1 26 26 GLY HA3 H 1 3.770 . . 1 . . . . . . . . 4114 1 309 . 1 1 26 26 GLY CA C 13 44.500 . . 1 . . . . . . . . 4114 1 310 . 1 1 26 26 GLY N N 15 111.370 . . 1 . . . . . . . . 4114 1 311 . 1 1 27 27 THR H H 1 7.860 . . 1 . . . . . . . . 4114 1 312 . 1 1 27 27 THR HA H 1 3.440 . . 1 . . . . . . . . 4114 1 313 . 1 1 27 27 THR HB H 1 4.860 . . 1 . . . . . . . . 4114 1 314 . 1 1 27 27 THR HG21 H 1 0.880 . . 1 . . . . . . . . 4114 1 315 . 1 1 27 27 THR HG22 H 1 0.880 . . 1 . . . . . . . . 4114 1 316 . 1 1 27 27 THR HG23 H 1 0.880 . . 1 . . . . . . . . 4114 1 317 . 1 1 27 27 THR CA C 13 61.356 . . 1 . . . . . . . . 4114 1 318 . 1 1 27 27 THR CB C 13 68.600 . . 1 . . . . . . . . 4114 1 319 . 1 1 27 27 THR CG2 C 13 21.989 . . 1 . . . . . . . . 4114 1 320 . 1 1 27 27 THR N N 15 104.480 . . 1 . . . . . . . . 4114 1 321 . 1 1 28 28 LYS H H 1 8.230 . . 1 . . . . . . . . 4114 1 322 . 1 1 28 28 LYS HA H 1 4.670 . . 1 . . . . . . . . 4114 1 323 . 1 1 28 28 LYS HB2 H 1 2.100 . . 1 . . . . . . . . 4114 1 324 . 1 1 28 28 LYS HB3 H 1 1.600 . . 1 . . . . . . . . 4114 1 325 . 1 1 28 28 LYS HG2 H 1 1.400 . . 1 . . . . . . . . 4114 1 326 . 1 1 28 28 LYS HG3 H 1 1.400 . . 1 . . . . . . . . 4114 1 327 . 1 1 28 28 LYS HD2 H 1 1.760 . . 1 . . . . . . . . 4114 1 328 . 1 1 28 28 LYS HD3 H 1 1.690 . . 1 . . . . . . . . 4114 1 329 . 1 1 28 28 LYS HE2 H 1 3.010 . . 1 . . . . . . . . 4114 1 330 . 1 1 28 28 LYS HE3 H 1 3.010 . . 1 . . . . . . . . 4114 1 331 . 1 1 28 28 LYS CA C 13 55.280 . . 1 . . . . . . . . 4114 1 332 . 1 1 28 28 LYS CB C 13 32.700 . . 1 . . . . . . . . 4114 1 333 . 1 1 28 28 LYS CG C 13 24.770 . . 1 . . . . . . . . 4114 1 334 . 1 1 28 28 LYS CD C 13 28.820 . . 1 . . . . . . . . 4114 1 335 . 1 1 28 28 LYS CE C 13 42.400 . . 1 . . . . . . . . 4114 1 336 . 1 1 28 28 LYS N N 15 119.450 . . 1 . . . . . . . . 4114 1 337 . 1 1 29 29 GLN H H 1 8.040 . . 1 . . . . . . . . 4114 1 338 . 1 1 29 29 GLN HA H 1 4.800 . . 1 . . . . . . . . 4114 1 339 . 1 1 29 29 GLN HB3 H 1 2.180 . . 1 . . . . . . . . 4114 1 340 . 1 1 29 29 GLN HB2 H 1 1.27 . . 1 . . . . . . . . 4114 1 341 . 1 1 29 29 GLN HG2 H 1 2.360 . . 1 . . . . . . . . 4114 1 342 . 1 1 29 29 GLN HG3 H 1 2.070 . . 1 . . . . . . . . 4114 1 343 . 1 1 29 29 GLN HE21 H 1 7.690 . . 1 . . . . . . . . 4114 1 344 . 1 1 29 29 GLN HE22 H 1 6.890 . . 1 . . . . . . . . 4114 1 345 . 1 1 29 29 GLN CA C 13 54.080 . . 1 . . . . . . . . 4114 1 346 . 1 1 29 29 GLN CB C 13 29.220 . . 1 . . . . . . . . 4114 1 347 . 1 1 29 29 GLN CG C 13 33.350 . . 1 . . . . . . . . 4114 1 348 . 1 1 29 29 GLN N N 15 121.350 . . 1 . . . . . . . . 4114 1 349 . 1 1 29 29 GLN NE2 N 15 111.256 . . 1 . . . . . . . . 4114 1 350 . 1 1 30 30 TRP H H 1 7.440 . . 1 . . . . . . . . 4114 1 351 . 1 1 30 30 TRP HA H 1 4.210 . . 1 . . . . . . . . 4114 1 352 . 1 1 30 30 TRP HB3 H 1 3.520 . . 1 . . . . . . . . 4114 1 353 . 1 1 30 30 TRP HB2 H 1 3.060 . . 1 . . . . . . . . 4114 1 354 . 1 1 30 30 TRP HD1 H 1 7.530 . . 1 . . . . . . . . 4114 1 355 . 1 1 30 30 TRP HE1 H 1 10.190 . . 1 . . . . . . . . 4114 1 356 . 1 1 30 30 TRP HE3 H 1 7.310 . . 1 . . . . . . . . 4114 1 357 . 1 1 30 30 TRP HZ3 H 1 6.530 . . 1 . . . . . . . . 4114 1 358 . 1 1 30 30 TRP HH2 H 1 6.530 . . 1 . . . . . . . . 4114 1 359 . 1 1 30 30 TRP CA C 13 60.330 . . 1 . . . . . . . . 4114 1 360 . 1 1 30 30 TRP CB C 13 28.535 . . 1 . . . . . . . . 4114 1 361 . 1 1 30 30 TRP CD1 C 13 128.800 . . 1 . . . . . . . . 4114 1 362 . 1 1 30 30 TRP CE3 C 13 120.701 . . 1 . . . . . . . . 4114 1 363 . 1 1 30 30 TRP CZ2 C 13 115.106 . . 1 . . . . . . . . 4114 1 364 . 1 1 30 30 TRP CZ3 C 13 121.944 . . 1 . . . . . . . . 4114 1 365 . 1 1 30 30 TRP CH2 C 13 126.296 . . 1 . . . . . . . . 4114 1 366 . 1 1 30 30 TRP N N 15 119.930 . . 1 . . . . . . . . 4114 1 367 . 1 1 30 30 TRP NE1 N 15 131.900 . . 1 . . . . . . . . 4114 1 368 . 1 1 31 31 THR H H 1 8.380 . . 1 . . . . . . . . 4114 1 369 . 1 1 31 31 THR HA H 1 4.030 . . 1 . . . . . . . . 4114 1 370 . 1 1 31 31 THR HB H 1 4.210 . . 1 . . . . . . . . 4114 1 371 . 1 1 31 31 THR HG21 H 1 1.330 . . 1 . . . . . . . . 4114 1 372 . 1 1 31 31 THR HG22 H 1 1.330 . . 1 . . . . . . . . 4114 1 373 . 1 1 31 31 THR HG23 H 1 1.330 . . 1 . . . . . . . . 4114 1 374 . 1 1 31 31 THR CA C 13 66.654 . . 1 . . . . . . . . 4114 1 375 . 1 1 31 31 THR CB C 13 68.193 . . 1 . . . . . . . . 4114 1 376 . 1 1 31 31 THR CG2 C 13 22.211 . . 1 . . . . . . . . 4114 1 377 . 1 1 31 31 THR N N 15 114.46 . . 1 . . . . . . . . 4114 1 378 . 1 1 32 32 LEU H H 1 7.490 . . 1 . . . . . . . . 4114 1 379 . 1 1 32 32 LEU HA H 1 4.040 . . 1 . . . . . . . . 4114 1 380 . 1 1 32 32 LEU HB2 H 1 1.480 . . 1 . . . . . . . . 4114 1 381 . 1 1 32 32 LEU HB3 H 1 1.480 . . 1 . . . . . . . . 4114 1 382 . 1 1 32 32 LEU HG H 1 1.200 . . 1 . . . . . . . . 4114 1 383 . 1 1 32 32 LEU HD11 H 1 0.750 . . 2 . . . . . . . . 4114 1 384 . 1 1 32 32 LEU HD12 H 1 0.750 . . 2 . . . . . . . . 4114 1 385 . 1 1 32 32 LEU HD13 H 1 0.750 . . 2 . . . . . . . . 4114 1 386 . 1 1 32 32 LEU HD21 H 1 0.290 . . 2 . . . . . . . . 4114 1 387 . 1 1 32 32 LEU HD22 H 1 0.290 . . 2 . . . . . . . . 4114 1 388 . 1 1 32 32 LEU HD23 H 1 0.290 . . 2 . . . . . . . . 4114 1 389 . 1 1 32 32 LEU CA C 13 58.110 . . 1 . . . . . . . . 4114 1 390 . 1 1 32 32 LEU N N 15 123.970 . . 1 . . . . . . . . 4114 1 391 . 1 1 33 33 ILE H H 1 7.820 . . 1 . . . . . . . . 4114 1 392 . 1 1 33 33 ILE HA H 1 3.540 . . 1 . . . . . . . . 4114 1 393 . 1 1 33 33 ILE HB H 1 2.140 . . 1 . . . . . . . . 4114 1 394 . 1 1 33 33 ILE HG12 H 1 1.600 . . 1 . . . . . . . . 4114 1 395 . 1 1 33 33 ILE HG13 H 1 0.960 . . 1 . . . . . . . . 4114 1 396 . 1 1 33 33 ILE HG21 H 1 1.130 . . 1 . . . . . . . . 4114 1 397 . 1 1 33 33 ILE HG22 H 1 1.130 . . 1 . . . . . . . . 4114 1 398 . 1 1 33 33 ILE HG23 H 1 1.130 . . 1 . . . . . . . . 4114 1 399 . 1 1 33 33 ILE HD11 H 1 0.440 . . 1 . . . . . . . . 4114 1 400 . 1 1 33 33 ILE HD12 H 1 0.440 . . 1 . . . . . . . . 4114 1 401 . 1 1 33 33 ILE HD13 H 1 0.440 . . 1 . . . . . . . . 4114 1 402 . 1 1 33 33 ILE CA C 13 66.900 . . 1 . . . . . . . . 4114 1 403 . 1 1 33 33 ILE CB C 13 37.600 . . 1 . . . . . . . . 4114 1 404 . 1 1 33 33 ILE CG1 C 13 29.920 . . 1 . . . . . . . . 4114 1 405 . 1 1 33 33 ILE CG2 C 13 16.200 . . 1 . . . . . . . . 4114 1 406 . 1 1 33 33 ILE CD1 C 13 13.520 . . 1 . . . . . . . . 4114 1 407 . 1 1 33 33 ILE N N 15 119.450 . . 1 . . . . . . . . 4114 1 408 . 1 1 34 34 ALA H H 1 8.450 . . 1 . . . . . . . . 4114 1 409 . 1 1 34 34 ALA HA H 1 4.090 . . 1 . . . . . . . . 4114 1 410 . 1 1 34 34 ALA HB1 H 1 1.570 . . 1 . . . . . . . . 4114 1 411 . 1 1 34 34 ALA HB2 H 1 1.570 . . 1 . . . . . . . . 4114 1 412 . 1 1 34 34 ALA HB3 H 1 1.570 . . 1 . . . . . . . . 4114 1 413 . 1 1 34 34 ALA CA C 13 55.580 . . 1 . . . . . . . . 4114 1 414 . 1 1 34 34 ALA CB C 13 18.320 . . 1 . . . . . . . . 4114 1 415 . 1 1 34 34 ALA N N 15 120.170 . . 1 . . . . . . . . 4114 1 416 . 1 1 35 35 LYS H H 1 7.580 . . 1 . . . . . . . . 4114 1 417 . 1 1 35 35 LYS HA H 1 4.100 . . 1 . . . . . . . . 4114 1 418 . 1 1 35 35 LYS HB2 H 1 1.960 . . 1 . . . . . . . . 4114 1 419 . 1 1 35 35 LYS HB3 H 1 1.820 . . 1 . . . . . . . . 4114 1 420 . 1 1 35 35 LYS HG2 H 1 1.620 . . 1 . . . . . . . . 4114 1 421 . 1 1 35 35 LYS HG3 H 1 1.460 . . 1 . . . . . . . . 4114 1 422 . 1 1 35 35 LYS HD2 H 1 1.620 . . 1 . . . . . . . . 4114 1 423 . 1 1 35 35 LYS HD3 H 1 1.620 . . 1 . . . . . . . . 4114 1 424 . 1 1 35 35 LYS HE2 H 1 2.890 . . 1 . . . . . . . . 4114 1 425 . 1 1 35 35 LYS HE3 H 1 2.890 . . 1 . . . . . . . . 4114 1 426 . 1 1 35 35 LYS CA C 13 58.630 . . 1 . . . . . . . . 4114 1 427 . 1 1 35 35 LYS CB C 13 32.250 . . 1 . . . . . . . . 4114 1 428 . 1 1 35 35 LYS CG C 13 25.120 . . 1 . . . . . . . . 4114 1 429 . 1 1 35 35 LYS CD C 13 29.320 . . 1 . . . . . . . . 4114 1 430 . 1 1 35 35 LYS CE C 13 41.800 . . 1 . . . . . . . . 4114 1 431 . 1 1 35 35 LYS N N 15 116.840 . . 1 . . . . . . . . 4114 1 432 . 1 1 36 36 HIS H H 1 7.920 . . 1 . . . . . . . . 4114 1 433 . 1 1 36 36 HIS HA H 1 4.440 . . 1 . . . . . . . . 4114 1 434 . 1 1 36 36 HIS HB3 H 1 3.420 . . 1 . . . . . . . . 4114 1 435 . 1 1 36 36 HIS HB2 H 1 3.280 . . 1 . . . . . . . . 4114 1 436 . 1 1 36 36 HIS HD2 H 1 7.370 . . 1 . . . . . . . . 4114 1 437 . 1 1 36 36 HIS HE1 H 1 7.870 . . 1 . . . . . . . . 4114 1 438 . 1 1 36 36 HIS CA C 13 57.425 . . 1 . . . . . . . . 4114 1 439 . 1 1 36 36 HIS CB C 13 30.600 . . 1 . . . . . . . . 4114 1 440 . 1 1 36 36 HIS CD2 C 13 123.400 . . 1 . . . . . . . . 4114 1 441 . 1 1 36 36 HIS CE1 C 13 138.500 . . 1 . . . . . . . . 4114 1 442 . 1 1 36 36 HIS N N 15 115.170 . . 1 . . . . . . . . 4114 1 443 . 1 1 37 37 LEU H H 1 7.920 . . 1 . . . . . . . . 4114 1 444 . 1 1 37 37 LEU HA H 1 4.640 . . 1 . . . . . . . . 4114 1 445 . 1 1 37 37 LEU HB2 H 1 1.690 . . 1 . . . . . . . . 4114 1 446 . 1 1 37 37 LEU HB3 H 1 1.690 . . 1 . . . . . . . . 4114 1 447 . 1 1 37 37 LEU HG H 1 1.800 . . 1 . . . . . . . . 4114 1 448 . 1 1 37 37 LEU HD11 H 1 1.140 . . 2 . . . . . . . . 4114 1 449 . 1 1 37 37 LEU HD12 H 1 1.140 . . 2 . . . . . . . . 4114 1 450 . 1 1 37 37 LEU HD13 H 1 1.140 . . 2 . . . . . . . . 4114 1 451 . 1 1 37 37 LEU HD21 H 1 1.100 . . 2 . . . . . . . . 4114 1 452 . 1 1 37 37 LEU HD22 H 1 1.100 . . 2 . . . . . . . . 4114 1 453 . 1 1 37 37 LEU HD23 H 1 1.100 . . 2 . . . . . . . . 4114 1 454 . 1 1 37 37 LEU CA C 13 53.836 . . 1 . . . . . . . . 4114 1 455 . 1 1 37 37 LEU N N 15 124.680 . . 1 . . . . . . . . 4114 1 456 . 1 1 38 38 LYS H H 1 8.230 . . 1 . . . . . . . . 4114 1 457 . 1 1 38 38 LYS HA H 1 4.210 . . 1 . . . . . . . . 4114 1 458 . 1 1 38 38 LYS HB2 H 1 1.820 . . 1 . . . . . . . . 4114 1 459 . 1 1 38 38 LYS HB3 H 1 1.740 . . 1 . . . . . . . . 4114 1 460 . 1 1 38 38 LYS HG2 H 1 1.440 . . 1 . . . . . . . . 4114 1 461 . 1 1 38 38 LYS HG3 H 1 1.360 . . 1 . . . . . . . . 4114 1 462 . 1 1 38 38 LYS HD2 H 1 1.670 . . 1 . . . . . . . . 4114 1 463 . 1 1 38 38 LYS HD3 H 1 1.670 . . 1 . . . . . . . . 4114 1 464 . 1 1 38 38 LYS HE2 H 1 2.980 . . 1 . . . . . . . . 4114 1 465 . 1 1 38 38 LYS HE3 H 1 2.980 . . 1 . . . . . . . . 4114 1 466 . 1 1 38 38 LYS CA C 13 57.380 . . 1 . . . . . . . . 4114 1 467 . 1 1 38 38 LYS CB C 13 32.700 . . 1 . . . . . . . . 4114 1 468 . 1 1 38 38 LYS CG C 13 24.770 . . 1 . . . . . . . . 4114 1 469 . 1 1 38 38 LYS CD C 13 29.050 . . 1 . . . . . . . . 4114 1 470 . 1 1 38 38 LYS CE C 13 42.000 . . 1 . . . . . . . . 4114 1 471 . 1 1 38 38 LYS N N 15 120.400 . . 1 . . . . . . . . 4114 1 472 . 1 1 39 39 GLY H H 1 8.830 . . 1 . . . . . . . . 4114 1 473 . 1 1 39 39 GLY HA2 H 1 4.020 . . 1 . . . . . . . . 4114 1 474 . 1 1 39 39 GLY HA3 H 1 3.740 . . 1 . . . . . . . . 4114 1 475 . 1 1 39 39 GLY CA C 13 45.900 . . 1 . . . . . . . . 4114 1 476 . 1 1 39 39 GLY N N 15 112.080 . . 1 . . . . . . . . 4114 1 477 . 1 1 40 40 ARG H H 1 7.790 . . 1 . . . . . . . . 4114 1 478 . 1 1 40 40 ARG HA H 1 4.880 . . 1 . . . . . . . . 4114 1 479 . 1 1 40 40 ARG HB2 H 1 1.880 . . 1 . . . . . . . . 4114 1 480 . 1 1 40 40 ARG HB3 H 1 1.630 . . 1 . . . . . . . . 4114 1 481 . 1 1 40 40 ARG HG2 H 1 1.266 . . 1 . . . . . . . . 4114 1 482 . 1 1 40 40 ARG HG3 H 1 1.075 . . 1 . . . . . . . . 4114 1 483 . 1 1 40 40 ARG HD2 H 1 2.830 . . 1 . . . . . . . . 4114 1 484 . 1 1 40 40 ARG HD3 H 1 2.150 . . 1 . . . . . . . . 4114 1 485 . 1 1 40 40 ARG HE H 1 7.016 . . 1 . . . . . . . . 4114 1 486 . 1 1 40 40 ARG CA C 13 55.300 . . 1 . . . . . . . . 4114 1 487 . 1 1 40 40 ARG CD C 13 42.640 . . 1 . . . . . . . . 4114 1 488 . 1 1 40 40 ARG N N 15 116.120 . . 1 . . . . . . . . 4114 1 489 . 1 1 40 40 ARG NE N 15 83.500 . . 1 . . . . . . . . 4114 1 490 . 1 1 41 41 LEU H H 1 8.450 . . 1 . . . . . . . . 4114 1 491 . 1 1 41 41 LEU HA H 1 4.740 . . 1 . . . . . . . . 4114 1 492 . 1 1 41 41 LEU HB2 H 1 1.940 . . 1 . . . . . . . . 4114 1 493 . 1 1 41 41 LEU HB3 H 1 1.590 . . 1 . . . . . . . . 4114 1 494 . 1 1 41 41 LEU HG H 1 1.760 . . 1 . . . . . . . . 4114 1 495 . 1 1 41 41 LEU HD11 H 1 0.950 . . 1 . . . . . . . . 4114 1 496 . 1 1 41 41 LEU HD12 H 1 0.950 . . 1 . . . . . . . . 4114 1 497 . 1 1 41 41 LEU HD13 H 1 0.950 . . 1 . . . . . . . . 4114 1 498 . 1 1 41 41 LEU HD21 H 1 0.950 . . 1 . . . . . . . . 4114 1 499 . 1 1 41 41 LEU HD22 H 1 0.950 . . 1 . . . . . . . . 4114 1 500 . 1 1 41 41 LEU HD23 H 1 0.950 . . 1 . . . . . . . . 4114 1 501 . 1 1 41 41 LEU CA C 13 53.323 . . 1 . . . . . . . . 4114 1 502 . 1 1 41 41 LEU N N 15 119.930 . . 1 . . . . . . . . 4114 1 503 . 1 1 42 42 GLY H H 1 9.790 . . 1 . . . . . . . . 4114 1 504 . 1 1 42 42 GLY HA2 H 1 4.050 . . 1 . . . . . . . . 4114 1 505 . 1 1 42 42 GLY HA3 H 1 3.800 . . 1 . . . . . . . . 4114 1 506 . 1 1 42 42 GLY CA C 13 49.050 . . 1 . . . . . . . . 4114 1 507 . 1 1 42 42 GLY N N 15 114.460 . . 1 . . . . . . . . 4114 1 508 . 1 1 43 43 LYS H H 1 8.910 . . 1 . . . . . . . . 4114 1 509 . 1 1 43 43 LYS HA H 1 3.940 . . 1 . . . . . . . . 4114 1 510 . 1 1 43 43 LYS HB2 H 1 1.920 . . 1 . . . . . . . . 4114 1 511 . 1 1 43 43 LYS HB3 H 1 1.770 . . 1 . . . . . . . . 4114 1 512 . 1 1 43 43 LYS HG2 H 1 1.410 . . 1 . . . . . . . . 4114 1 513 . 1 1 43 43 LYS HG3 H 1 1.410 . . 1 . . . . . . . . 4114 1 514 . 1 1 43 43 LYS HD2 H 1 1.690 . . 1 . . . . . . . . 4114 1 515 . 1 1 43 43 LYS HD3 H 1 1.690 . . 1 . . . . . . . . 4114 1 516 . 1 1 43 43 LYS HE2 H 1 2.960 . . 1 . . . . . . . . 4114 1 517 . 1 1 43 43 LYS HE3 H 1 2.960 . . 1 . . . . . . . . 4114 1 518 . 1 1 43 43 LYS CA C 13 59.330 . . 1 . . . . . . . . 4114 1 519 . 1 1 43 43 LYS CB C 13 32.250 . . 1 . . . . . . . . 4114 1 520 . 1 1 43 43 LYS CG C 13 24.520 . . 1 . . . . . . . . 4114 1 521 . 1 1 43 43 LYS CD C 13 29.420 . . 1 . . . . . . . . 4114 1 522 . 1 1 43 43 LYS CE C 13 41.900 . . 1 . . . . . . . . 4114 1 523 . 1 1 43 43 LYS N N 15 119.220 . . 1 . . . . . . . . 4114 1 524 . 1 1 44 44 GLN H H 1 7.030 . . 1 . . . . . . . . 4114 1 525 . 1 1 44 44 GLN HA H 1 4.420 . . 1 . . . . . . . . 4114 1 526 . 1 1 44 44 GLN HB2 H 1 2.806 . . 1 . . . . . . . . 4114 1 527 . 1 1 44 44 GLN HB3 H 1 2.508 . . 1 . . . . . . . . 4114 1 528 . 1 1 44 44 GLN HG2 H 1 2.806 . . 1 . . . . . . . . 4114 1 529 . 1 1 44 44 GLN HG3 H 1 2.508 . . 1 . . . . . . . . 4114 1 530 . 1 1 44 44 GLN HE21 H 1 7.990 . . 1 . . . . . . . . 4114 1 531 . 1 1 44 44 GLN HE22 H 1 7.270 . . 1 . . . . . . . . 4114 1 532 . 1 1 44 44 GLN CA C 13 58.300 . . 1 . . . . . . . . 4114 1 533 . 1 1 44 44 GLN CB C 13 28.962 . . 1 . . . . . . . . 4114 1 534 . 1 1 44 44 GLN CG C 13 34.776 . . 1 . . . . . . . . 4114 1 535 . 1 1 44 44 GLN N N 15 116.840 . . 1 . . . . . . . . 4114 1 536 . 1 1 44 44 GLN NE2 N 15 112.440 . . 1 . . . . . . . . 4114 1 537 . 1 1 45 45 CYS H H 1 8.100 . . 1 . . . . . . . . 4114 1 538 . 1 1 45 45 CYS HA H 1 4.260 . . 1 . . . . . . . . 4114 1 539 . 1 1 45 45 CYS HB2 H 1 3.730 . . 1 . . . . . . . . 4114 1 540 . 1 1 45 45 CYS HB3 H 1 2.830 . . 1 . . . . . . . . 4114 1 541 . 1 1 45 45 CYS CA C 13 63.834 . . 1 . . . . . . . . 4114 1 542 . 1 1 45 45 CYS CB C 13 27.080 . . 1 . . . . . . . . 4114 1 543 . 1 1 45 45 CYS N N 15 120.400 . . 1 . . . . . . . . 4114 1 544 . 1 1 46 46 ARG H H 1 7.860 . . 1 . . . . . . . . 4114 1 545 . 1 1 46 46 ARG HA H 1 3.940 . . 1 . . . . . . . . 4114 1 546 . 1 1 46 46 ARG HB2 H 1 1.700 . . 1 . . . . . . . . 4114 1 547 . 1 1 46 46 ARG HB3 H 1 1.700 . . 1 . . . . . . . . 4114 1 548 . 1 1 46 46 ARG HG2 H 1 1.330 . . 1 . . . . . . . . 4114 1 549 . 1 1 46 46 ARG HG3 H 1 0.110 . . 1 . . . . . . . . 4114 1 550 . 1 1 46 46 ARG HD2 H 1 1.020 . . 1 . . . . . . . . 4114 1 551 . 1 1 46 46 ARG HD3 H 1 1.020 . . 1 . . . . . . . . 4114 1 552 . 1 1 46 46 ARG HE H 1 8.880 . . 1 . . . . . . . . 4114 1 553 . 1 1 46 46 ARG CA C 13 59.390 . . 1 . . . . . . . . 4114 1 554 . 1 1 46 46 ARG CB C 13 36.656 . . 1 . . . . . . . . 4114 1 555 . 1 1 46 46 ARG CG C 13 29.475 . . 1 . . . . . . . . 4114 1 556 . 1 1 46 46 ARG CD C 13 49.300 . . 1 . . . . . . . . 4114 1 557 . 1 1 46 46 ARG N N 15 120.880 . . 1 . . . . . . . . 4114 1 558 . 1 1 46 46 ARG NE N 15 86.000 . . 1 . . . . . . . . 4114 1 559 . 1 1 47 47 GLU H H 1 7.610 . . 1 . . . . . . . . 4114 1 560 . 1 1 47 47 GLU HA H 1 3.900 . . 1 . . . . . . . . 4114 1 561 . 1 1 47 47 GLU HB2 H 1 2.030 . . 1 . . . . . . . . 4114 1 562 . 1 1 47 47 GLU HB3 H 1 2.030 . . 1 . . . . . . . . 4114 1 563 . 1 1 47 47 GLU HG2 H 1 2.450 . . 1 . . . . . . . . 4114 1 564 . 1 1 47 47 GLU HG3 H 1 2.270 . . 1 . . . . . . . . 4114 1 565 . 1 1 47 47 GLU CA C 13 59.430 . . 1 . . . . . . . . 4114 1 566 . 1 1 47 47 GLU CB C 13 29.570 . . 1 . . . . . . . . 4114 1 567 . 1 1 47 47 GLU CG C 13 36.750 . . 1 . . . . . . . . 4114 1 568 . 1 1 47 47 GLU N N 15 117.200 . . 1 . . . . . . . . 4114 1 569 . 1 1 48 48 ARG H H 1 7.810 . . 1 . . . . . . . . 4114 1 570 . 1 1 48 48 ARG HA H 1 3.840 . . . . . . . . . . . 4114 1 571 . 1 1 48 48 ARG HG3 H 1 0.819 . . 1 . . . . . . . . 4114 1 572 . 1 1 48 48 ARG HD2 H 1 2.430 . . 1 . . . . . . . . 4114 1 573 . 1 1 48 48 ARG CA C 13 57.770 . . 1 . . . . . . . . 4114 1 574 . 1 1 48 48 ARG N N 15 119.700 . . 1 . . . . . . . . 4114 1 575 . 1 1 49 49 TRP H H 1 8.210 . . 1 . . . . . . . . 4114 1 576 . 1 1 49 49 TRP HA H 1 4.250 . . 1 . . . . . . . . 4114 1 577 . 1 1 49 49 TRP HB2 H 1 3.250 . . 1 . . . . . . . . 4114 1 578 . 1 1 49 49 TRP HB3 H 1 3.150 . . 1 . . . . . . . . 4114 1 579 . 1 1 49 49 TRP HD1 H 1 7.130 . . 1 . . . . . . . . 4114 1 580 . 1 1 49 49 TRP HE1 H 1 10.185 . . 1 . . . . . . . . 4114 1 581 . 1 1 49 49 TRP HE3 H 1 7.270 . . 1 . . . . . . . . 4114 1 582 . 1 1 49 49 TRP HZ2 H 1 7.460 . . 1 . . . . . . . . 4114 1 583 . 1 1 49 49 TRP HZ3 H 1 7.000 . . 1 . . . . . . . . 4114 1 584 . 1 1 49 49 TRP HH2 H 1 7.270 . . 1 . . . . . . . . 4114 1 585 . 1 1 49 49 TRP CE2 C 13 120.701 . . 1 . . . . . . . . 4114 1 586 . 1 1 49 49 TRP CZ2 C 13 115.727 . . 1 . . . . . . . . 4114 1 587 . 1 1 49 49 TRP CZ3 C 13 122.566 . . 1 . . . . . . . . 4114 1 588 . 1 1 49 49 TRP CH2 C 13 126.296 . . 1 . . . . . . . . 4114 1 589 . 1 1 49 49 TRP N N 15 118.740 . . 1 . . . . . . . . 4114 1 590 . 1 1 49 49 TRP NE1 N 15 129.200 . . 1 . . . . . . . . 4114 1 591 . 1 1 50 50 HIS H H 1 8.600 . . 1 . . . . . . . . 4114 1 592 . 1 1 50 50 HIS HA H 1 3.910 . . 1 . . . . . . . . 4114 1 593 . 1 1 50 50 HIS HB2 H 1 3.134 . . 1 . . . . . . . . 4114 1 594 . 1 1 50 50 HIS HB3 H 1 3.035 . . 1 . . . . . . . . 4114 1 595 . 1 1 50 50 HIS HD2 H 1 7.170 . . 1 . . . . . . . . 4114 1 596 . 1 1 50 50 HIS HE1 H 1 8.240 . . 1 . . . . . . . . 4114 1 597 . 1 1 50 50 HIS CA C 13 59.476 . . 1 . . . . . . . . 4114 1 598 . 1 1 50 50 HIS CB C 13 29.902 . . 1 . . . . . . . . 4114 1 599 . 1 1 50 50 HIS CD2 C 13 122.500 . . 1 . . . . . . . . 4114 1 600 . 1 1 50 50 HIS N N 15 114.220 . . 1 . . . . . . . . 4114 1 601 . 1 1 51 51 ASN H H 1 8.420 . . 1 . . . . . . . . 4114 1 602 . 1 1 51 51 ASN HA H 1 4.660 . . 1 . . . . . . . . 4114 1 603 . 1 1 51 51 ASN HB2 H 1 2.820 . . 1 . . . . . . . . 4114 1 604 . 1 1 51 51 ASN HB3 H 1 2.520 . . 1 . . . . . . . . 4114 1 605 . 1 1 51 51 ASN HD21 H 1 7.735 . . 1 . . . . . . . . 4114 1 606 . 1 1 51 51 ASN HD22 H 1 7.080 . . 1 . . . . . . . . 4114 1 607 . 1 1 51 51 ASN CA C 13 53.579 . . 1 . . . . . . . . 4114 1 608 . 1 1 51 51 ASN CB C 13 39.411 . . 1 . . . . . . . . 4114 1 609 . 1 1 51 51 ASN N N 15 111.000 . . 1 . . . . . . . . 4114 1 610 . 1 1 51 51 ASN ND2 N 15 112.680 . . 1 . . . . . . . . 4114 1 611 . 1 1 52 52 HIS H H 1 7.380 . . 1 . . . . . . . . 4114 1 612 . 1 1 52 52 HIS HA H 1 4.650 . . 1 . . . . . . . . 4114 1 613 . 1 1 52 52 HIS HB2 H 1 2.950 . . 1 . . . . . . . . 4114 1 614 . 1 1 52 52 HIS HB3 H 1 2.950 . . 1 . . . . . . . . 4114 1 615 . 1 1 52 52 HIS HD2 H 1 6.800 . . 1 . . . . . . . . 4114 1 616 . 1 1 52 52 HIS HE1 H 1 8.090 . . 1 . . . . . . . . 4114 1 617 . 1 1 52 52 HIS CA C 13 57.800 . . 1 . . . . . . . . 4114 1 618 . 1 1 52 52 HIS CB C 13 32.293 . . 1 . . . . . . . . 4114 1 619 . 1 1 52 52 HIS CD2 C 13 118.500 . . 1 . . . . . . . . 4114 1 620 . 1 1 52 52 HIS CE1 C 13 138.700 . . 1 . . . . . . . . 4114 1 621 . 1 1 52 52 HIS N N 15 114.200 . . 1 . . . . . . . . 4114 1 622 . 1 1 53 53 LEU H H 1 7.690 . . 1 . . . . . . . . 4114 1 623 . 1 1 53 53 LEU HA H 1 4.160 . . 1 . . . . . . . . 4114 1 624 . 1 1 53 53 LEU HB2 H 1 1.780 . . 1 . . . . . . . . 4114 1 625 . 1 1 53 53 LEU HB3 H 1 1.780 . . 1 . . . . . . . . 4114 1 626 . 1 1 53 53 LEU HG H 1 1.940 . . . . . . . . . . . 4114 1 627 . 1 1 53 53 LEU HD11 H 1 0.980 . . 1 . . . . . . . . 4114 1 628 . 1 1 53 53 LEU HD12 H 1 0.980 . . 1 . . . . . . . . 4114 1 629 . 1 1 53 53 LEU HD13 H 1 0.980 . . 1 . . . . . . . . 4114 1 630 . 1 1 53 53 LEU HD21 H 1 0.980 . . 1 . . . . . . . . 4114 1 631 . 1 1 53 53 LEU HD22 H 1 0.980 . . 1 . . . . . . . . 4114 1 632 . 1 1 53 53 LEU HD23 H 1 0.980 . . 1 . . . . . . . . 4114 1 633 . 1 1 53 53 LEU N N 15 116.600 . . 1 . . . . . . . . 4114 1 634 . 1 1 54 54 ASN H H 1 7.720 . . 1 . . . . . . . . 4114 1 635 . 1 1 54 54 ASN HA H 1 4.900 . . 1 . . . . . . . . 4114 1 636 . 1 1 54 54 ASN HB2 H 1 2.810 . . 1 . . . . . . . . 4114 1 637 . 1 1 54 54 ASN HB3 H 1 2.620 . . 1 . . . . . . . . 4114 1 638 . 1 1 54 54 ASN CA C 13 51.269 . . 1 . . . . . . . . 4114 1 639 . 1 1 54 54 ASN CB C 13 38.830 . . 1 . . . . . . . . 4114 1 640 . 1 1 54 54 ASN N N 15 116.300 . . 1 . . . . . . . . 4114 1 641 . 1 1 55 55 PRO HA H 1 4.240 . . 1 . . . . . . . . 4114 1 642 . 1 1 55 55 PRO HB2 H 1 2.220 . . 1 . . . . . . . . 4114 1 643 . 1 1 55 55 PRO HB3 H 1 1.920 . . 1 . . . . . . . . 4114 1 644 . 1 1 55 55 PRO HG2 H 1 1.980 . . 1 . . . . . . . . 4114 1 645 . 1 1 55 55 PRO HG3 H 1 1.980 . . 1 . . . . . . . . 4114 1 646 . 1 1 55 55 PRO HD2 H 1 3.720 . . 1 . . . . . . . . 4114 1 647 . 1 1 55 55 PRO HD3 H 1 3.680 . . 1 . . . . . . . . 4114 1 648 . 1 1 56 56 GLU H H 1 7.730 . . 1 . . . . . . . . 4114 1 649 . 1 1 56 56 GLU HA H 1 4.090 . . 1 . . . . . . . . 4114 1 650 . 1 1 56 56 GLU HB2 H 1 2.030 . . 1 . . . . . . . . 4114 1 651 . 1 1 56 56 GLU HB3 H 1 1.860 . . 1 . . . . . . . . 4114 1 652 . 1 1 56 56 GLU HG2 H 1 2.310 . . 1 . . . . . . . . 4114 1 653 . 1 1 56 56 GLU HG3 H 1 2.190 . . 1 . . . . . . . . 4114 1 654 . 1 1 56 56 GLU CA C 13 57.130 . . 1 . . . . . . . . 4114 1 655 . 1 1 56 56 GLU CB C 13 30.020 . . 1 . . . . . . . . 4114 1 656 . 1 1 56 56 GLU CG C 13 36.500 . . 1 . . . . . . . . 4114 1 657 . 1 1 56 56 GLU N N 15 117.550 . . 1 . . . . . . . . 4114 1 658 . 1 1 57 57 VAL H H 1 7.710 . . 1 . . . . . . . . 4114 1 659 . 1 1 57 57 VAL HA H 1 3.920 . . 1 . . . . . . . . 4114 1 660 . 1 1 57 57 VAL HB H 1 1.950 . . 1 . . . . . . . . 4114 1 661 . 1 1 57 57 VAL HG11 H 1 0.810 . . 2 . . . . . . . . 4114 1 662 . 1 1 57 57 VAL HG12 H 1 0.810 . . 2 . . . . . . . . 4114 1 663 . 1 1 57 57 VAL HG13 H 1 0.810 . . 2 . . . . . . . . 4114 1 664 . 1 1 57 57 VAL HG21 H 1 0.790 . . 1 . . . . . . . . 4114 1 665 . 1 1 57 57 VAL HG22 H 1 0.790 . . 1 . . . . . . . . 4114 1 666 . 1 1 57 57 VAL HG23 H 1 0.790 . . 1 . . . . . . . . 4114 1 667 . 1 1 57 57 VAL CA C 13 62.980 . . 1 . . . . . . . . 4114 1 668 . 1 1 57 57 VAL CB C 13 32.300 . . 1 . . . . . . . . 4114 1 669 . 1 1 57 57 VAL CG1 C 13 21.020 . . 1 . . . . . . . . 4114 1 670 . 1 1 57 57 VAL CG2 C 13 21.020 . . 1 . . . . . . . . 4114 1 671 . 1 1 57 57 VAL N N 15 119.930 . . 1 . . . . . . . . 4114 1 672 . 1 1 58 58 LYS H H 1 8.130 . . 1 . . . . . . . . 4114 1 673 . 1 1 58 58 LYS HA H 1 4.220 . . 1 . . . . . . . . 4114 1 674 . 1 1 58 58 LYS HB2 H 1 1.720 . . 1 . . . . . . . . 4114 1 675 . 1 1 58 58 LYS HB3 H 1 1.720 . . 1 . . . . . . . . 4114 1 676 . 1 1 58 58 LYS HG2 H 1 1.410 . . 1 . . . . . . . . 4114 1 677 . 1 1 58 58 LYS HG3 H 1 1.320 . . 1 . . . . . . . . 4114 1 678 . 1 1 58 58 LYS HD2 H 1 1.580 . . 1 . . . . . . . . 4114 1 679 . 1 1 58 58 LYS HD3 H 1 1.580 . . 1 . . . . . . . . 4114 1 680 . 1 1 58 58 LYS HE2 H 1 2.920 . . 1 . . . . . . . . 4114 1 681 . 1 1 58 58 LYS HE3 H 1 2.920 . . 1 . . . . . . . . 4114 1 682 . 1 1 58 58 LYS CA C 13 56.580 . . 1 . . . . . . . . 4114 1 683 . 1 1 58 58 LYS CB C 13 32.800 . . 1 . . . . . . . . 4114 1 684 . 1 1 58 58 LYS CG C 13 24.920 . . 1 . . . . . . . . 4114 1 685 . 1 1 58 58 LYS CD C 13 28.920 . . 1 . . . . . . . . 4114 1 686 . 1 1 58 58 LYS CE C 13 41.800 . . 1 . . . . . . . . 4114 1 687 . 1 1 58 58 LYS N N 15 124.210 . . 1 . . . . . . . . 4114 1 688 . 1 1 59 59 LYS H H 1 8.260 . . 1 . . . . . . . . 4114 1 689 . 1 1 59 59 LYS HA H 1 4.300 . . 1 . . . . . . . . 4114 1 690 . 1 1 59 59 LYS HB2 H 1 1.840 . . 1 . . . . . . . . 4114 1 691 . 1 1 59 59 LYS HB3 H 1 1.720 . . 1 . . . . . . . . 4114 1 692 . 1 1 59 59 LYS HG2 H 1 1.400 . . 1 . . . . . . . . 4114 1 693 . 1 1 59 59 LYS HG3 H 1 1.400 . . 1 . . . . . . . . 4114 1 694 . 1 1 59 59 LYS HD2 H 1 1.670 . . 1 . . . . . . . . 4114 1 695 . 1 1 59 59 LYS HD3 H 1 1.670 . . 1 . . . . . . . . 4114 1 696 . 1 1 59 59 LYS HE2 H 1 2.970 . . 1 . . . . . . . . 4114 1 697 . 1 1 59 59 LYS HE3 H 1 2.970 . . 1 . . . . . . . . 4114 1 698 . 1 1 59 59 LYS CA C 13 56.380 . . 1 . . . . . . . . 4114 1 699 . 1 1 59 59 LYS CB C 13 32.800 . . 1 . . . . . . . . 4114 1 700 . 1 1 59 59 LYS CG C 13 24.620 . . 1 . . . . . . . . 4114 1 701 . 1 1 59 59 LYS CD C 13 29.020 . . 1 . . . . . . . . 4114 1 702 . 1 1 59 59 LYS CE C 13 42.200 . . 1 . . . . . . . . 4114 1 703 . 1 1 59 59 LYS N N 15 122.300 . . 1 . . . . . . . . 4114 1 704 . 1 1 60 60 SER H H 1 8.230 . . 1 . . . . . . . . 4114 1 705 . 1 1 60 60 SER HA H 1 4.460 . . 1 . . . . . . . . 4114 1 706 . 1 1 60 60 SER HB2 H 1 3.930 . . 1 . . . . . . . . 4114 1 707 . 1 1 60 60 SER HB3 H 1 3.850 . . 1 . . . . . . . . 4114 1 708 . 1 1 60 60 SER CA C 13 58.080 . . 1 . . . . . . . . 4114 1 709 . 1 1 60 60 SER CB C 13 63.880 . . 1 . . . . . . . . 4114 1 710 . 1 1 60 60 SER N N 15 116.120 . . 1 . . . . . . . . 4114 1 711 . 1 1 61 61 SER H H 1 8.350 . . 1 . . . . . . . . 4114 1 712 . 1 1 61 61 SER HA H 1 4.460 . . 1 . . . . . . . . 4114 1 713 . 1 1 61 61 SER HB2 H 1 3.880 . . 1 . . . . . . . . 4114 1 714 . 1 1 61 61 SER HB3 H 1 3.880 . . 1 . . . . . . . . 4114 1 715 . 1 1 61 61 SER CA C 13 58.600 . . 1 . . . . . . . . 4114 1 716 . 1 1 61 61 SER CB C 13 63.880 . . 1 . . . . . . . . 4114 1 717 . 1 1 61 61 SER N N 15 118.980 . . 1 . . . . . . . . 4114 1 718 . 1 1 62 62 TRP H H 1 8.530 . . 1 . . . . . . . . 4114 1 719 . 1 1 62 62 TRP HA H 1 4.550 . . 1 . . . . . . . . 4114 1 720 . 1 1 62 62 TRP HB3 H 1 3.050 . . 1 . . . . . . . . 4114 1 721 . 1 1 62 62 TRP HB2 H 1 2.820 . . 1 . . . . . . . . 4114 1 722 . 1 1 62 62 TRP HD1 H 1 7.100 . . 1 . . . . . . . . 4114 1 723 . 1 1 62 62 TRP HE1 H 1 9.940 . . 1 . . . . . . . . 4114 1 724 . 1 1 62 62 TRP HE3 H 1 7.220 . . 1 . . . . . . . . 4114 1 725 . 1 1 62 62 TRP HZ2 H 1 7.100 . . 1 . . . . . . . . 4114 1 726 . 1 1 62 62 TRP HZ3 H 1 6.800 . . 1 . . . . . . . . 4114 1 727 . 1 1 62 62 TRP HH2 H 1 6.700 . . 1 . . . . . . . . 4114 1 728 . 1 1 62 62 TRP CA C 13 56.570 . . 1 . . . . . . . . 4114 1 729 . 1 1 62 62 TRP CB C 13 29.220 . . 1 . . . . . . . . 4114 1 730 . 1 1 62 62 TRP CD1 C 13 127.500 . . 1 . . . . . . . . 4114 1 731 . 1 1 62 62 TRP CE3 C 13 121.322 . . 1 . . . . . . . . 4114 1 732 . 1 1 62 62 TRP CZ2 C 13 114.484 . . 1 . . . . . . . . 4114 1 733 . 1 1 62 62 TRP CZ3 C 13 121.322 . . 1 . . . . . . . . 4114 1 734 . 1 1 62 62 TRP CH2 C 13 121.944 . . 1 . . . . . . . . 4114 1 735 . 1 1 62 62 TRP N N 15 125.160 . . 1 . . . . . . . . 4114 1 736 . 1 1 62 62 TRP NE1 N 15 128.400 . . 1 . . . . . . . . 4114 1 737 . 1 1 63 63 THR H H 1 9.500 . . 1 . . . . . . . . 4114 1 738 . 1 1 63 63 THR HA H 1 4.620 . . 1 . . . . . . . . 4114 1 739 . 1 1 63 63 THR HB H 1 4.860 . . 1 . . . . . . . . 4114 1 740 . 1 1 63 63 THR HG21 H 1 1.300 . . 1 . . . . . . . . 4114 1 741 . 1 1 63 63 THR HG22 H 1 1.300 . . 1 . . . . . . . . 4114 1 742 . 1 1 63 63 THR HG23 H 1 1.300 . . 1 . . . . . . . . 4114 1 743 . 1 1 63 63 THR CA C 13 60.500 . . 1 . . . . . . . . 4114 1 744 . 1 1 63 63 THR CB C 13 71.269 . . 1 . . . . . . . . 4114 1 745 . 1 1 63 63 THR CG2 C 13 21.896 . . 1 . . . . . . . . 4114 1 746 . 1 1 63 63 THR N N 15 117.070 . . 1 . . . . . . . . 4114 1 747 . 1 1 64 64 GLU H H 1 9.010 . . 1 . . . . . . . . 4114 1 748 . 1 1 64 64 GLU HB2 H 1 2.110 . . 1 . . . . . . . . 4114 1 749 . 1 1 64 64 GLU HB3 H 1 2.110 . . 1 . . . . . . . . 4114 1 750 . 1 1 64 64 GLU HG2 H 1 2.490 . . 1 . . . . . . . . 4114 1 751 . 1 1 64 64 GLU HG3 H 1 2.410 . . 1 . . . . . . . . 4114 1 752 . 1 1 64 64 GLU CG C 13 36.750 . . 1 . . . . . . . . 4114 1 753 . 1 1 64 64 GLU N N 15 120.400 . . 1 . . . . . . . . 4114 1 754 . 1 1 65 65 GLU H H 1 8.460 . . 1 . . . . . . . . 4114 1 755 . 1 1 65 65 GLU HA H 1 4.290 . . 1 . . . . . . . . 4114 1 756 . 1 1 65 65 GLU HB2 H 1 1.950 . . 1 . . . . . . . . 4114 1 757 . 1 1 65 65 GLU HB3 H 1 1.950 . . 1 . . . . . . . . 4114 1 758 . 1 1 65 65 GLU HG2 H 1 2.410 . . 1 . . . . . . . . 4114 1 759 . 1 1 65 65 GLU HG3 H 1 2.330 . . 1 . . . . . . . . 4114 1 760 . 1 1 65 65 GLU CA C 13 59.480 . . 1 . . . . . . . . 4114 1 761 . 1 1 65 65 GLU CB C 13 29.420 . . 1 . . . . . . . . 4114 1 762 . 1 1 65 65 GLU CG C 13 36.100 . . 1 . . . . . . . . 4114 1 763 . 1 1 65 65 GLU N N 15 119.690 . . 1 . . . . . . . . 4114 1 764 . 1 1 66 66 GLU H H 1 8.090 . . 1 . . . . . . . . 4114 1 765 . 1 1 66 66 GLU HA H 1 4.000 . . 1 . . . . . . . . 4114 1 766 . 1 1 66 66 GLU HB2 H 1 2.860 . . 1 . . . . . . . . 4114 1 767 . 1 1 66 66 GLU HB3 H 1 2.240 . . 1 . . . . . . . . 4114 1 768 . 1 1 66 66 GLU HG2 H 1 2.700 . . 1 . . . . . . . . 4114 1 769 . 1 1 66 66 GLU HG3 H 1 2.150 . . 1 . . . . . . . . 4114 1 770 . 1 1 66 66 GLU CA C 13 60.160 . . 1 . . . . . . . . 4114 1 771 . 1 1 66 66 GLU CB C 13 31.300 . . 1 . . . . . . . . 4114 1 772 . 1 1 66 66 GLU CG C 13 38.600 . . 1 . . . . . . . . 4114 1 773 . 1 1 66 66 GLU N N 15 119.690 . . 1 . . . . . . . . 4114 1 774 . 1 1 67 67 ASP H H 1 8.390 . . 1 . . . . . . . . 4114 1 775 . 1 1 67 67 ASP HA H 1 4.640 . . 1 . . . . . . . . 4114 1 776 . 1 1 67 67 ASP HB2 H 1 2.860 . . 1 . . . . . . . . 4114 1 777 . 1 1 67 67 ASP HB3 H 1 2.600 . . 1 . . . . . . . . 4114 1 778 . 1 1 67 67 ASP CA C 13 57.980 . . 1 . . . . . . . . 4114 1 779 . 1 1 67 67 ASP CB C 13 39.750 . . 1 . . . . . . . . 4114 1 780 . 1 1 67 67 ASP N N 15 118.740 . . 1 . . . . . . . . 4114 1 781 . 1 1 68 68 ARG H H 1 8.290 . . 1 . . . . . . . . 4114 1 782 . 1 1 68 68 ARG HA H 1 4.280 . . 1 . . . . . . . . 4114 1 783 . 1 1 68 68 ARG HB2 H 1 2.170 . . 1 . . . . . . . . 4114 1 784 . 1 1 68 68 ARG HB3 H 1 2.040 . . 1 . . . . . . . . 4114 1 785 . 1 1 68 68 ARG HG2 H 1 1.880 . . 1 . . . . . . . . 4114 1 786 . 1 1 68 68 ARG HG3 H 1 1.750 . . 1 . . . . . . . . 4114 1 787 . 1 1 68 68 ARG HD2 H 1 3.370 . . 1 . . . . . . . . 4114 1 788 . 1 1 68 68 ARG HD3 H 1 3.220 . . 1 . . . . . . . . 4114 1 789 . 1 1 68 68 ARG HE H 1 7.840 . . 1 . . . . . . . . 4114 1 790 . 1 1 68 68 ARG CA C 13 59.980 . . 1 . . . . . . . . 4114 1 791 . 1 1 68 68 ARG CB C 13 29.820 . . 1 . . . . . . . . 4114 1 792 . 1 1 68 68 ARG CG C 13 27.120 . . 1 . . . . . . . . 4114 1 793 . 1 1 68 68 ARG CD C 13 43.170 . . 1 . . . . . . . . 4114 1 794 . 1 1 68 68 ARG N N 15 122.300 . . 1 . . . . . . . . 4114 1 795 . 1 1 68 68 ARG NE N 15 83.450 . . 1 . . . . . . . . 4114 1 796 . 1 1 69 69 ILE H H 1 8.390 . . 1 . . . . . . . . 4114 1 797 . 1 1 69 69 ILE HA H 1 3.760 . . 1 . . . . . . . . 4114 1 798 . 1 1 69 69 ILE HB H 1 2.220 . . 1 . . . . . . . . 4114 1 799 . 1 1 69 69 ILE HG12 H 1 1.960 . . 1 . . . . . . . . 4114 1 800 . 1 1 69 69 ILE HG13 H 1 1.130 . . 1 . . . . . . . . 4114 1 801 . 1 1 69 69 ILE HG21 H 1 0.950 . . 1 . . . . . . . . 4114 1 802 . 1 1 69 69 ILE HG22 H 1 0.950 . . 1 . . . . . . . . 4114 1 803 . 1 1 69 69 ILE HG23 H 1 0.950 . . 1 . . . . . . . . 4114 1 804 . 1 1 69 69 ILE HD11 H 1 0.960 . . 1 . . . . . . . . 4114 1 805 . 1 1 69 69 ILE HD12 H 1 0.960 . . 1 . . . . . . . . 4114 1 806 . 1 1 69 69 ILE HD13 H 1 0.960 . . 1 . . . . . . . . 4114 1 807 . 1 1 69 69 ILE CA C 13 65.630 . . 1 . . . . . . . . 4114 1 808 . 1 1 69 69 ILE CB C 13 38.100 . . 1 . . . . . . . . 4114 1 809 . 1 1 69 69 ILE CG1 C 13 30.120 . . 1 . . . . . . . . 4114 1 810 . 1 1 69 69 ILE CG2 C 13 17.620 . . 1 . . . . . . . . 4114 1 811 . 1 1 69 69 ILE CD1 C 13 13.920 . . 1 . . . . . . . . 4114 1 812 . 1 1 69 69 ILE N N 15 120.880 . . 1 . . . . . . . . 4114 1 813 . 1 1 70 70 ILE H H 1 8.690 . . 1 . . . . . . . . 4114 1 814 . 1 1 70 70 ILE HA H 1 3.590 . . 1 . . . . . . . . 4114 1 815 . 1 1 70 70 ILE HB H 1 2.140 . . 1 . . . . . . . . 4114 1 816 . 1 1 70 70 ILE HG12 H 1 2.320 . . 1 . . . . . . . . 4114 1 817 . 1 1 70 70 ILE HG13 H 1 0.960 . . 1 . . . . . . . . 4114 1 818 . 1 1 70 70 ILE HG21 H 1 1.170 . . 1 . . . . . . . . 4114 1 819 . 1 1 70 70 ILE HG22 H 1 1.170 . . 1 . . . . . . . . 4114 1 820 . 1 1 70 70 ILE HG23 H 1 1.170 . . 1 . . . . . . . . 4114 1 821 . 1 1 70 70 ILE HD11 H 1 1.120 . . 1 . . . . . . . . 4114 1 822 . 1 1 70 70 ILE HD12 H 1 1.120 . . 1 . . . . . . . . 4114 1 823 . 1 1 70 70 ILE HD13 H 1 1.120 . . 1 . . . . . . . . 4114 1 824 . 1 1 70 70 ILE CA C 13 66.680 . . 1 . . . . . . . . 4114 1 825 . 1 1 70 70 ILE CB C 13 38.250 . . 1 . . . . . . . . 4114 1 826 . 1 1 70 70 ILE CG1 C 13 30.585 . . 1 . . . . . . . . 4114 1 827 . 1 1 70 70 ILE CG2 C 13 18.620 . . 1 . . . . . . . . 4114 1 828 . 1 1 70 70 ILE N N 15 118.980 . . 1 . . . . . . . . 4114 1 829 . 1 1 71 71 PHE H H 1 8.650 . . 1 . . . . . . . . 4114 1 830 . 1 1 71 71 PHE HA H 1 4.340 . . 1 . . . . . . . . 4114 1 831 . 1 1 71 71 PHE HB2 H 1 3.480 . . 1 . . . . . . . . 4114 1 832 . 1 1 71 71 PHE HB3 H 1 3.430 . . 1 . . . . . . . . 4114 1 833 . 1 1 71 71 PHE HD1 H 1 7.420 . . 1 . . . . . . . . 4114 1 834 . 1 1 71 71 PHE HD2 H 1 7.420 . . 1 . . . . . . . . 4114 1 835 . 1 1 71 71 PHE HE1 H 1 7.420 . . 1 . . . . . . . . 4114 1 836 . 1 1 71 71 PHE HE2 H 1 7.420 . . 1 . . . . . . . . 4114 1 837 . 1 1 71 71 PHE HZ H 1 7.370 . . 1 . . . . . . . . 4114 1 838 . 1 1 71 71 PHE CA C 13 62.552 . . 1 . . . . . . . . 4114 1 839 . 1 1 71 71 PHE CB C 13 39.811 . . 1 . . . . . . . . 4114 1 840 . 1 1 71 71 PHE CD1 C 13 132.513 . . 1 . . . . . . . . 4114 1 841 . 1 1 71 71 PHE CD2 C 13 132.513 . . 1 . . . . . . . . 4114 1 842 . 1 1 71 71 PHE CE1 C 13 132.513 . . 1 . . . . . . . . 4114 1 843 . 1 1 71 71 PHE CE2 C 13 132.513 . . 1 . . . . . . . . 4114 1 844 . 1 1 71 71 PHE CZ C 13 130.378 . . 1 . . . . . . . . 4114 1 845 . 1 1 71 71 PHE N N 15 120.170 . . 1 . . . . . . . . 4114 1 846 . 1 1 72 72 GLU H H 1 8.780 . . 1 . . . . . . . . 4114 1 847 . 1 1 72 72 GLU HA H 1 4.030 . . 1 . . . . . . . . 4114 1 848 . 1 1 72 72 GLU HB2 H 1 2.140 . . 1 . . . . . . . . 4114 1 849 . 1 1 72 72 GLU HB3 H 1 2.140 . . 1 . . . . . . . . 4114 1 850 . 1 1 72 72 GLU HG2 H 1 2.610 . . 1 . . . . . . . . 4114 1 851 . 1 1 72 72 GLU HG3 H 1 2.610 . . 1 . . . . . . . . 4114 1 852 . 1 1 72 72 GLU CA C 13 59.080 . . 1 . . . . . . . . 4114 1 853 . 1 1 72 72 GLU CB C 13 29.420 . . 1 . . . . . . . . 4114 1 854 . 1 1 72 72 GLU CG C 13 36.400 . . 1 . . . . . . . . 4114 1 855 . 1 1 72 72 GLU N N 15 117.790 . . 1 . . . . . . . . 4114 1 856 . 1 1 73 73 ALA H H 1 8.900 . . 1 . . . . . . . . 4114 1 857 . 1 1 73 73 ALA HA H 1 4.270 . . 1 . . . . . . . . 4114 1 858 . 1 1 73 73 ALA HB1 H 1 1.460 . . 1 . . . . . . . . 4114 1 859 . 1 1 73 73 ALA HB2 H 1 1.460 . . 1 . . . . . . . . 4114 1 860 . 1 1 73 73 ALA HB3 H 1 1.460 . . 1 . . . . . . . . 4114 1 861 . 1 1 73 73 ALA CA C 13 54.680 . . 1 . . . . . . . . 4114 1 862 . 1 1 73 73 ALA CB C 13 19.520 . . 1 . . . . . . . . 4114 1 863 . 1 1 73 73 ALA N N 15 121.590 . . 1 . . . . . . . . 4114 1 864 . 1 1 74 74 HIS H H 1 9.110 . . 1 . . . . . . . . 4114 1 865 . 1 1 74 74 HIS HA H 1 3.760 . . 1 . . . . . . . . 4114 1 866 . 1 1 74 74 HIS HB3 H 1 2.620 . . 1 . . . . . . . . 4114 1 867 . 1 1 74 74 HIS HB2 H 1 2.820 . . 1 . . . . . . . . 4114 1 868 . 1 1 74 74 HIS HD2 H 1 5.820 . . 1 . . . . . . . . 4114 1 869 . 1 1 74 74 HIS HE1 H 1 8.370 . . 1 . . . . . . . . 4114 1 870 . 1 1 74 74 HIS CA C 13 59.810 . . 1 . . . . . . . . 4114 1 871 . 1 1 74 74 HIS CB C 13 27.338 . . 1 . . . . . . . . 4114 1 872 . 1 1 74 74 HIS CD2 C 13 120.300 . . 1 . . . . . . . . 4114 1 873 . 1 1 74 74 HIS CE1 C 13 136.200 . . 1 . . . . . . . . 4114 1 874 . 1 1 74 74 HIS N N 15 117.550 . . 1 . . . . . . . . 4114 1 875 . 1 1 75 75 LYS H H 1 7.390 . . 1 . . . . . . . . 4114 1 876 . 1 1 75 75 LYS HA H 1 3.880 . . 1 . . . . . . . . 4114 1 877 . 1 1 75 75 LYS HB2 H 1 1.870 . . 1 . . . . . . . . 4114 1 878 . 1 1 75 75 LYS HB3 H 1 1.870 . . 1 . . . . . . . . 4114 1 879 . 1 1 75 75 LYS HG2 H 1 1.573 . . 1 . . . . . . . . 4114 1 880 . 1 1 75 75 LYS HG3 H 1 1.348 . . 1 . . . . . . . . 4114 1 881 . 1 1 75 75 LYS HD2 H 1 1.660 . . 1 . . . . . . . . 4114 1 882 . 1 1 75 75 LYS HD3 H 1 1.660 . . 1 . . . . . . . . 4114 1 883 . 1 1 75 75 LYS HE2 H 1 2.830 . . 1 . . . . . . . . 4114 1 884 . 1 1 75 75 LYS HE3 H 1 2.760 . . 1 . . . . . . . . 4114 1 885 . 1 1 75 75 LYS CA C 13 59.580 . . 1 . . . . . . . . 4114 1 886 . 1 1 75 75 LYS CB C 13 32.700 . . 1 . . . . . . . . 4114 1 887 . 1 1 75 75 LYS CG C 13 24.920 . . 1 . . . . . . . . 4114 1 888 . 1 1 75 75 LYS CD C 13 29.720 . . 1 . . . . . . . . 4114 1 889 . 1 1 75 75 LYS CE C 13 41.850 . . 1 . . . . . . . . 4114 1 890 . 1 1 75 75 LYS N N 15 118.500 . . 1 . . . . . . . . 4114 1 891 . 1 1 76 76 VAL H H 1 6.840 . . 1 . . . . . . . . 4114 1 892 . 1 1 76 76 VAL HA H 1 4.050 . . 1 . . . . . . . . 4114 1 893 . 1 1 76 76 VAL HB H 1 2.030 . . 1 . . . . . . . . 4114 1 894 . 1 1 76 76 VAL HG11 H 1 0.900 . . 2 . . . . . . . . 4114 1 895 . 1 1 76 76 VAL HG12 H 1 0.900 . . 2 . . . . . . . . 4114 1 896 . 1 1 76 76 VAL HG13 H 1 0.900 . . 2 . . . . . . . . 4114 1 897 . 1 1 76 76 VAL HG21 H 1 0.990 . . 2 . . . . . . . . 4114 1 898 . 1 1 76 76 VAL HG22 H 1 0.990 . . 2 . . . . . . . . 4114 1 899 . 1 1 76 76 VAL HG23 H 1 0.990 . . 2 . . . . . . . . 4114 1 900 . 1 1 76 76 VAL CA C 13 63.580 . . 1 . . . . . . . . 4114 1 901 . 1 1 76 76 VAL CB C 13 33.600 . . 1 . . . . . . . . 4114 1 902 . 1 1 76 76 VAL CG1 C 13 21.320 . . 1 . . . . . . . . 4114 1 903 . 1 1 76 76 VAL CG2 C 13 20.870 . . 1 . . . . . . . . 4114 1 904 . 1 1 76 76 VAL N N 15 113.030 . . 1 . . . . . . . . 4114 1 905 . 1 1 77 77 LEU H H 1 8.630 . . 1 . . . . . . . . 4114 1 906 . 1 1 77 77 LEU HA H 1 4.220 . . 1 . . . . . . . . 4114 1 907 . 1 1 77 77 LEU HB2 H 1 1.450 . . 1 . . . . . . . . 4114 1 908 . 1 1 77 77 LEU HB3 H 1 1.160 . . 1 . . . . . . . . 4114 1 909 . 1 1 77 77 LEU HG H 1 1.630 . . 1 . . . . . . . . 4114 1 910 . 1 1 77 77 LEU HD11 H 1 0.790 . . 2 . . . . . . . . 4114 1 911 . 1 1 77 77 LEU HD12 H 1 0.790 . . 2 . . . . . . . . 4114 1 912 . 1 1 77 77 LEU HD13 H 1 0.790 . . 2 . . . . . . . . 4114 1 913 . 1 1 77 77 LEU HD21 H 1 0.730 . . 2 . . . . . . . . 4114 1 914 . 1 1 77 77 LEU HD22 H 1 0.730 . . 2 . . . . . . . . 4114 1 915 . 1 1 77 77 LEU HD23 H 1 0.730 . . 2 . . . . . . . . 4114 1 916 . 1 1 77 77 LEU CA C 13 55.032 . . 1 . . . . . . . . 4114 1 917 . 1 1 77 77 LEU N N 15 118.740 . . 1 . . . . . . . . 4114 1 918 . 1 1 78 78 GLY H H 1 7.510 . . 1 . . . . . . . . 4114 1 919 . 1 1 78 78 GLY HA2 H 1 3.410 . . 1 . . . . . . . . 4114 1 920 . 1 1 78 78 GLY HA3 H 1 2.580 . . 1 . . . . . . . . 4114 1 921 . 1 1 78 78 GLY CA C 13 45.200 . . 1 . . . . . . . . 4114 1 922 . 1 1 78 78 GLY N N 15 108.990 . . 1 . . . . . . . . 4114 1 923 . 1 1 79 79 ASN H H 1 7.980 . . 1 . . . . . . . . 4114 1 924 . 1 1 79 79 ASN HA H 1 3.070 . . 1 . . . . . . . . 4114 1 925 . 1 1 79 79 ASN HB2 H 1 2.820 . . 1 . . . . . . . . 4114 1 926 . 1 1 79 79 ASN HB3 H 1 2.600 . . 1 . . . . . . . . 4114 1 927 . 1 1 79 79 ASN HD21 H 1 7.740 . . 1 . . . . . . . . 4114 1 928 . 1 1 79 79 ASN HD22 H 1 7.100 . . 1 . . . . . . . . 4114 1 929 . 1 1 79 79 ASN CA C 13 51.500 . . 1 . . . . . . . . 4114 1 930 . 1 1 79 79 ASN CB C 13 36.300 . . 1 . . . . . . . . 4114 1 931 . 1 1 79 79 ASN N N 15 120.880 . . 1 . . . . . . . . 4114 1 932 . 1 1 79 79 ASN ND2 N 15 113.633 . . 1 . . . . . . . . 4114 1 933 . 1 1 80 80 ARG H H 1 6.920 . . 1 . . . . . . . . 4114 1 934 . 1 1 80 80 ARG HA H 1 4.310 . . 1 . . . . . . . . 4114 1 935 . 1 1 80 80 ARG HB2 H 1 1.880 . . 1 . . . . . . . . 4114 1 936 . 1 1 80 80 ARG HB3 H 1 1.350 . . 1 . . . . . . . . 4114 1 937 . 1 1 80 80 ARG HG2 H 1 1.580 . . 1 . . . . . . . . 4114 1 938 . 1 1 80 80 ARG HG3 H 1 1.420 . . 1 . . . . . . . . 4114 1 939 . 1 1 80 80 ARG HD2 H 1 3.130 . . 1 . . . . . . . . 4114 1 940 . 1 1 80 80 ARG HD3 H 1 3.130 . . 1 . . . . . . . . 4114 1 941 . 1 1 80 80 ARG HE H 1 7.200 . . 1 . . . . . . . . 4114 1 942 . 1 1 80 80 ARG CA C 13 54.180 . . 1 . . . . . . . . 4114 1 943 . 1 1 80 80 ARG CB C 13 28.500 . . 1 . . . . . . . . 4114 1 944 . 1 1 80 80 ARG CG C 13 26.770 . . 1 . . . . . . . . 4114 1 945 . 1 1 80 80 ARG CD C 13 43.900 . . 1 . . . . . . . . 4114 1 946 . 1 1 80 80 ARG N N 15 122.540 . . 1 . . . . . . . . 4114 1 947 . 1 1 80 80 ARG NE N 15 84.670 . . 1 . . . . . . . . 4114 1 948 . 1 1 81 81 TRP H H 1 7.150 . . 1 . . . . . . . . 4114 1 949 . 1 1 81 81 TRP HA H 1 4.310 . . 1 . . . . . . . . 4114 1 950 . 1 1 81 81 TRP HB3 H 1 3.590 . . 1 . . . . . . . . 4114 1 951 . 1 1 81 81 TRP HB2 H 1 3.170 . . 1 . . . . . . . . 4114 1 952 . 1 1 81 81 TRP HD1 H 1 7.480 . . 1 . . . . . . . . 4114 1 953 . 1 1 81 81 TRP HE1 H 1 10.590 . . 1 . . . . . . . . 4114 1 954 . 1 1 81 81 TRP HE3 H 1 7.295 . . 1 . . . . . . . . 4114 1 955 . 1 1 81 81 TRP HZ2 H 1 7.290 . . 1 . . . . . . . . 4114 1 956 . 1 1 81 81 TRP HZ3 H 1 6.330 . . 1 . . . . . . . . 4114 1 957 . 1 1 81 81 TRP HH2 H 1 6.040 . . 1 . . . . . . . . 4114 1 958 . 1 1 81 81 TRP CA C 13 59.990 . . 1 . . . . . . . . 4114 1 959 . 1 1 81 81 TRP CB C 13 29.900 . . 1 . . . . . . . . 4114 1 960 . 1 1 81 81 TRP CD1 C 13 129.400 . . 1 . . . . . . . . 4114 1 961 . 1 1 81 81 TRP CE3 C 13 120.701 . . 1 . . . . . . . . 4114 1 962 . 1 1 81 81 TRP CZ2 C 13 115.106 . . 1 . . . . . . . . 4114 1 963 . 1 1 81 81 TRP CZ3 C 13 120.701 . . 1 . . . . . . . . 4114 1 964 . 1 1 81 81 TRP CH2 C 13 125.674 . . 1 . . . . . . . . 4114 1 965 . 1 1 81 81 TRP N N 15 122.540 . . 1 . . . . . . . . 4114 1 966 . 1 1 81 81 TRP NE1 N 15 130.000 . . 1 . . . . . . . . 4114 1 967 . 1 1 82 82 ALA H H 1 8.960 . . 1 . . . . . . . . 4114 1 968 . 1 1 82 82 ALA HA H 1 4.230 . . 1 . . . . . . . . 4114 1 969 . 1 1 82 82 ALA HB1 H 1 1.560 . . 1 . . . . . . . . 4114 1 970 . 1 1 82 82 ALA HB2 H 1 1.560 . . 1 . . . . . . . . 4114 1 971 . 1 1 82 82 ALA HB3 H 1 1.560 . . 1 . . . . . . . . 4114 1 972 . 1 1 82 82 ALA CA C 13 55.380 . . 1 . . . . . . . . 4114 1 973 . 1 1 82 82 ALA CB C 13 18.020 . . 1 . . . . . . . . 4114 1 974 . 1 1 82 82 ALA N N 15 119.690 . . 1 . . . . . . . . 4114 1 975 . 1 1 83 83 GLU H H 1 7.630 . . 1 . . . . . . . . 4114 1 976 . 1 1 83 83 GLU HA H 1 4.060 . . 1 . . . . . . . . 4114 1 977 . 1 1 83 83 GLU HB2 H 1 2.040 . . 1 . . . . . . . . 4114 1 978 . 1 1 83 83 GLU HB3 H 1 2.040 . . 1 . . . . . . . . 4114 1 979 . 1 1 83 83 GLU HG2 H 1 2.300 . . 1 . . . . . . . . 4114 1 980 . 1 1 83 83 GLU HG3 H 1 2.300 . . 1 . . . . . . . . 4114 1 981 . 1 1 83 83 GLU CA C 13 58.730 . . 1 . . . . . . . . 4114 1 982 . 1 1 83 83 GLU CB C 13 29.470 . . 1 . . . . . . . . 4114 1 983 . 1 1 83 83 GLU CG C 13 36.300 . . 1 . . . . . . . . 4114 1 984 . 1 1 83 83 GLU N N 15 117.550 . . 1 . . . . . . . . 4114 1 985 . 1 1 84 84 ILE H H 1 7.890 . . 1 . . . . . . . . 4114 1 986 . 1 1 84 84 ILE HA H 1 3.520 . . 1 . . . . . . . . 4114 1 987 . 1 1 84 84 ILE HB H 1 1.900 . . 1 . . . . . . . . 4114 1 988 . 1 1 84 84 ILE HG12 H 1 1.720 . . 1 . . . . . . . . 4114 1 989 . 1 1 84 84 ILE HG13 H 1 0.610 . . 1 . . . . . . . . 4114 1 990 . 1 1 84 84 ILE HG21 H 1 1.000 . . 1 . . . . . . . . 4114 1 991 . 1 1 84 84 ILE HG22 H 1 1.000 . . 1 . . . . . . . . 4114 1 992 . 1 1 84 84 ILE HG23 H 1 1.000 . . 1 . . . . . . . . 4114 1 993 . 1 1 84 84 ILE HD11 H 1 0.540 . . 1 . . . . . . . . 4114 1 994 . 1 1 84 84 ILE HD12 H 1 0.540 . . 1 . . . . . . . . 4114 1 995 . 1 1 84 84 ILE HD13 H 1 0.540 . . 1 . . . . . . . . 4114 1 996 . 1 1 84 84 ILE CA C 13 65.730 . . 1 . . . . . . . . 4114 1 997 . 1 1 84 84 ILE CB C 13 38.500 . . 1 . . . . . . . . 4114 1 998 . 1 1 84 84 ILE CG1 C 13 29.770 . . 1 . . . . . . . . 4114 1 999 . 1 1 84 84 ILE CG2 C 13 18.270 . . 1 . . . . . . . . 4114 1 1000 . 1 1 84 84 ILE CD1 C 13 12.670 . . 1 . . . . . . . . 4114 1 1001 . 1 1 84 84 ILE N N 15 119.930 . . 1 . . . . . . . . 4114 1 1002 . 1 1 85 85 ALA H H 1 8.630 . . 1 . . . . . . . . 4114 1 1003 . 1 1 85 85 ALA HA H 1 4.010 . . 1 . . . . . . . . 4114 1 1004 . 1 1 85 85 ALA HB1 H 1 1.500 . . 1 . . . . . . . . 4114 1 1005 . 1 1 85 85 ALA HB2 H 1 1.500 . . 1 . . . . . . . . 4114 1 1006 . 1 1 85 85 ALA HB3 H 1 1.500 . . 1 . . . . . . . . 4114 1 1007 . 1 1 85 85 ALA CA C 13 55.530 . . 1 . . . . . . . . 4114 1 1008 . 1 1 85 85 ALA CB C 13 17.270 . . 1 . . . . . . . . 4114 1 1009 . 1 1 85 85 ALA N N 15 119.450 . . 1 . . . . . . . . 4114 1 1010 . 1 1 86 86 LYS H H 1 7.130 . . 1 . . . . . . . . 4114 1 1011 . 1 1 86 86 LYS HA H 1 4.040 . . 1 . . . . . . . . 4114 1 1012 . 1 1 86 86 LYS HB3 H 1 1.964 . . 1 . . . . . . . . 4114 1 1013 . 1 1 86 86 LYS HB2 H 1 1.910 . . 1 . . . . . . . . 4114 1 1014 . 1 1 86 86 LYS HG2 H 1 1.840 . . 1 . . . . . . . . 4114 1 1015 . 1 1 86 86 LYS HG3 H 1 1.510 . . 1 . . . . . . . . 4114 1 1016 . 1 1 86 86 LYS HD2 H 1 1.740 . . 1 . . . . . . . . 4114 1 1017 . 1 1 86 86 LYS HD3 H 1 1.660 . . 1 . . . . . . . . 4114 1 1018 . 1 1 86 86 LYS HE2 H 1 2.980 . . 1 . . . . . . . . 4114 1 1019 . 1 1 86 86 LYS HE3 H 1 2.870 . . 1 . . . . . . . . 4114 1 1020 . 1 1 86 86 LYS CA C 13 59.180 . . 1 . . . . . . . . 4114 1 1021 . 1 1 86 86 LYS CB C 13 32.850 . . 1 . . . . . . . . 4114 1 1022 . 1 1 86 86 LYS CG C 13 23.570 . . 1 . . . . . . . . 4114 1 1023 . 1 1 86 86 LYS CD C 13 29.620 . . 1 . . . . . . . . 4114 1 1024 . 1 1 86 86 LYS CE C 13 42.000 . . 1 . . . . . . . . 4114 1 1025 . 1 1 86 86 LYS N N 15 115.650 . . 1 . . . . . . . . 4114 1 1026 . 1 1 86 86 LYS NZ N 15 7.770 . . 1 . . . . . . . . 4114 1 1027 . 1 1 87 87 LEU H H 1 4.300 . . 1 . . . . . . . . 4114 1 1028 . 1 1 87 87 LEU HB2 H 1 2.070 . . 1 . . . . . . . . 4114 1 1029 . 1 1 87 87 LEU HB3 H 1 1.790 . . 1 . . . . . . . . 4114 1 1030 . 1 1 87 87 LEU HG H 1 1.640 . . 1 . . . . . . . . 4114 1 1031 . 1 1 87 87 LEU HD11 H 1 0.930 . . 2 . . . . . . . . 4114 1 1032 . 1 1 87 87 LEU HD12 H 1 0.930 . . 2 . . . . . . . . 4114 1 1033 . 1 1 87 87 LEU HD13 H 1 0.930 . . 2 . . . . . . . . 4114 1 1034 . 1 1 87 87 LEU HD21 H 1 0.880 . . 2 . . . . . . . . 4114 1 1035 . 1 1 87 87 LEU HD22 H 1 0.880 . . 2 . . . . . . . . 4114 1 1036 . 1 1 87 87 LEU HD23 H 1 0.880 . . 2 . . . . . . . . 4114 1 1037 . 1 1 87 87 LEU CA C 13 54.690 . . 1 . . . . . . . . 4114 1 1038 . 1 1 87 87 LEU N N 15 116.840 . . 1 . . . . . . . . 4114 1 1039 . 1 1 88 88 LEU H H 1 7.620 . . 1 . . . . . . . . 4114 1 1040 . 1 1 88 88 LEU HA H 1 4.880 . . 1 . . . . . . . . 4114 1 1041 . 1 1 88 88 LEU HB2 H 1 1.910 . . 1 . . . . . . . . 4114 1 1042 . 1 1 88 88 LEU HB3 H 1 1.480 . . 1 . . . . . . . . 4114 1 1043 . 1 1 88 88 LEU HG H 1 1.660 . . 1 . . . . . . . . 4114 1 1044 . 1 1 88 88 LEU HD11 H 1 1.200 . . 2 . . . . . . . . 4114 1 1045 . 1 1 88 88 LEU HD12 H 1 1.200 . . 2 . . . . . . . . 4114 1 1046 . 1 1 88 88 LEU HD13 H 1 1.200 . . 2 . . . . . . . . 4114 1 1047 . 1 1 88 88 LEU HD21 H 1 1.150 . . 2 . . . . . . . . 4114 1 1048 . 1 1 88 88 LEU HD22 H 1 1.150 . . 2 . . . . . . . . 4114 1 1049 . 1 1 88 88 LEU HD23 H 1 1.150 . . 2 . . . . . . . . 4114 1 1050 . 1 1 88 88 LEU CA C 13 51.445 . . 1 . . . . . . . . 4114 1 1051 . 1 1 88 88 LEU N N 15 120.170 . . 1 . . . . . . . . 4114 1 1052 . 1 1 89 89 PRO HA H 1 4.270 . . 1 . . . . . . . . 4114 1 1053 . 1 1 89 89 PRO HB2 H 1 2.240 . . 1 . . . . . . . . 4114 1 1054 . 1 1 89 89 PRO HB3 H 1 1.820 . . 1 . . . . . . . . 4114 1 1055 . 1 1 89 89 PRO HG2 H 1 2.160 . . 1 . . . . . . . . 4114 1 1056 . 1 1 89 89 PRO HG3 H 1 1.950 . . 1 . . . . . . . . 4114 1 1057 . 1 1 89 89 PRO HD2 H 1 3.680 . . 1 . . . . . . . . 4114 1 1058 . 1 1 89 89 PRO HD3 H 1 3.680 . . 1 . . . . . . . . 4114 1 1059 . 1 1 90 90 GLY H H 1 8.860 . . 1 . . . . . . . . 4114 1 1060 . 1 1 90 90 GLY HA2 H 1 4.100 . . 1 . . . . . . . . 4114 1 1061 . 1 1 90 90 GLY HA3 H 1 3.680 . . 1 . . . . . . . . 4114 1 1062 . 1 1 90 90 GLY CA C 13 45.300 . . 1 . . . . . . . . 4114 1 1063 . 1 1 90 90 GLY N N 15 112.080 . . 1 . . . . . . . . 4114 1 1064 . 1 1 91 91 ARG H H 1 8.030 . . 1 . . . . . . . . 4114 1 1065 . 1 1 91 91 ARG HA H 1 4.830 . . 1 . . . . . . . . 4114 1 1066 . 1 1 91 91 ARG HB2 H 1 2.380 . . 1 . . . . . . . . 4114 1 1067 . 1 1 91 91 ARG HB3 H 1 1.700 . . 1 . . . . . . . . 4114 1 1068 . 1 1 91 91 ARG HD2 H 1 2.690 . . 1 . . . . . . . . 4114 1 1069 . 1 1 91 91 ARG HD3 H 1 2.150 . . 1 . . . . . . . . 4114 1 1070 . 1 1 91 91 ARG HE H 1 7.140 . . 1 . . . . . . . . 4114 1 1071 . 1 1 91 91 ARG CA C 13 52.462 . . 1 . . . . . . . . 4114 1 1072 . 1 1 91 91 ARG CB C 13 32.027 . . 1 . . . . . . . . 4114 1 1073 . 1 1 91 91 ARG CD C 13 42.723 . . 1 . . . . . . . . 4114 1 1074 . 1 1 91 91 ARG N N 15 117.550 . . 1 . . . . . . . . 4114 1 1075 . 1 1 91 91 ARG NE N 15 83.400 . . 1 . . . . . . . . 4114 1 1076 . 1 1 92 92 THR H H 1 7.810 . . 1 . . . . . . . . 4114 1 1077 . 1 1 92 92 THR HA H 1 4.720 . . 1 . . . . . . . . 4114 1 1078 . 1 1 92 92 THR HB H 1 4.740 . . 1 . . . . . . . . 4114 1 1079 . 1 1 92 92 THR HG21 H 1 1.350 . . 1 . . . . . . . . 4114 1 1080 . 1 1 92 92 THR HG22 H 1 1.350 . . 1 . . . . . . . . 4114 1 1081 . 1 1 92 92 THR HG23 H 1 1.350 . . 1 . . . . . . . . 4114 1 1082 . 1 1 92 92 THR CA C 13 59.818 . . 1 . . . . . . . . 4114 1 1083 . 1 1 92 92 THR CB C 13 71.953 . . 1 . . . . . . . . 4114 1 1084 . 1 1 92 92 THR CG2 C 13 21.869 . . 1 . . . . . . . . 4114 1 1085 . 1 1 92 92 THR N N 15 110.890 . . 1 . . . . . . . . 4114 1 1086 . 1 1 93 93 ASP H H 1 9.020 . . 1 . . . . . . . . 4114 1 1087 . 1 1 93 93 ASP HA H 1 3.980 . . 1 . . . . . . . . 4114 1 1088 . 1 1 93 93 ASP HB2 H 1 2.700 . . 1 . . . . . . . . 4114 1 1089 . 1 1 93 93 ASP HB3 H 1 2.700 . . 1 . . . . . . . . 4114 1 1090 . 1 1 93 93 ASP CA C 13 57.730 . . 1 . . . . . . . . 4114 1 1091 . 1 1 93 93 ASP CB C 13 38.621 . . 1 . . . . . . . . 4114 1 1092 . 1 1 93 93 ASP N N 15 120.400 . . 1 . . . . . . . . 4114 1 1093 . 1 1 94 94 ASN H H 1 8.830 . . 1 . . . . . . . . 4114 1 1094 . 1 1 94 94 ASN HA H 1 4.260 . . 1 . . . . . . . . 4114 1 1095 . 1 1 94 94 ASN HB2 H 1 2.740 . . 1 . . . . . . . . 4114 1 1096 . 1 1 94 94 ASN HB3 H 1 2.660 . . 1 . . . . . . . . 4114 1 1097 . 1 1 94 94 ASN HD21 H 1 7.800 . . 1 . . . . . . . . 4114 1 1098 . 1 1 94 94 ASN HD22 H 1 7.160 . . 1 . . . . . . . . 4114 1 1099 . 1 1 94 94 ASN CA C 13 56.280 . . 1 . . . . . . . . 4114 1 1100 . 1 1 94 94 ASN CB C 13 38.850 . . 1 . . . . . . . . 4114 1 1101 . 1 1 94 94 ASN N N 15 118.980 . . 1 . . . . . . . . 4114 1 1102 . 1 1 94 94 ASN ND2 N 15 114.140 . . 1 . . . . . . . . 4114 1 1103 . 1 1 95 95 ALA H H 1 8.080 . . 1 . . . . . . . . 4114 1 1104 . 1 1 95 95 ALA HA H 1 4.330 . . 1 . . . . . . . . 4114 1 1105 . 1 1 95 95 ALA HB1 H 1 1.830 . . 1 . . . . . . . . 4114 1 1106 . 1 1 95 95 ALA HB2 H 1 1.830 . . 1 . . . . . . . . 4114 1 1107 . 1 1 95 95 ALA HB3 H 1 1.830 . . 1 . . . . . . . . 4114 1 1108 . 1 1 95 95 ALA CA C 13 55.430 . . 1 . . . . . . . . 4114 1 1109 . 1 1 95 95 ALA CB C 13 18.720 . . 1 . . . . . . . . 4114 1 1110 . 1 1 95 95 ALA N N 15 122.780 . . 1 . . . . . . . . 4114 1 1111 . 1 1 96 96 VAL H H 1 8.480 . . 1 . . . . . . . . 4114 1 1112 . 1 1 96 96 VAL HA H 1 3.610 . . 1 . . . . . . . . 4114 1 1113 . 1 1 96 96 VAL HB H 1 2.460 . . 1 . . . . . . . . 4114 1 1114 . 1 1 96 96 VAL HG11 H 1 1.340 . . 2 . . . . . . . . 4114 1 1115 . 1 1 96 96 VAL HG12 H 1 1.340 . . 2 . . . . . . . . 4114 1 1116 . 1 1 96 96 VAL HG13 H 1 1.340 . . 2 . . . . . . . . 4114 1 1117 . 1 1 96 96 VAL HG21 H 1 1.250 . . 2 . . . . . . . . 4114 1 1118 . 1 1 96 96 VAL HG22 H 1 1.250 . . 2 . . . . . . . . 4114 1 1119 . 1 1 96 96 VAL HG23 H 1 1.250 . . 2 . . . . . . . . 4114 1 1120 . 1 1 96 96 VAL CA C 13 67.390 . . 1 . . . . . . . . 4114 1 1121 . 1 1 96 96 VAL CB C 13 32.050 . . 1 . . . . . . . . 4114 1 1122 . 1 1 96 96 VAL CG1 C 13 24.420 . . 1 . . . . . . . . 4114 1 1123 . 1 1 96 96 VAL CG2 C 13 22.520 . . 1 . . . . . . . . 4114 1 1124 . 1 1 96 96 VAL N N 15 118.980 . . 1 . . . . . . . . 4114 1 1125 . 1 1 97 97 LYS H H 1 8.000 . . 1 . . . . . . . . 4114 1 1126 . 1 1 97 97 LYS HA H 1 4.240 . . 1 . . . . . . . . 4114 1 1127 . 1 1 97 97 LYS HB2 H 1 1.300 . . 1 . . . . . . . . 4114 1 1128 . 1 1 97 97 LYS HB3 H 1 0.500 . . 1 . . . . . . . . 4114 1 1129 . 1 1 97 97 LYS HG2 H 1 0.710 . . 1 . . . . . . . . 4114 1 1130 . 1 1 97 97 LYS HG3 H 1 0.440 . . 1 . . . . . . . . 4114 1 1131 . 1 1 97 97 LYS HD2 H 1 1.500 . . 1 . . . . . . . . 4114 1 1132 . 1 1 97 97 LYS HD3 H 1 1.380 . . 1 . . . . . . . . 4114 1 1133 . 1 1 97 97 LYS HE2 H 1 2.870 . . 1 . . . . . . . . 4114 1 1134 . 1 1 97 97 LYS HE3 H 1 2.870 . . 1 . . . . . . . . 4114 1 1135 . 1 1 97 97 LYS CA C 13 59.400 . . 1 . . . . . . . . 4114 1 1136 . 1 1 97 97 LYS CB C 13 32.130 . . 1 . . . . . . . . 4114 1 1137 . 1 1 97 97 LYS CG C 13 24.262 . . 1 . . . . . . . . 4114 1 1138 . 1 1 97 97 LYS CD C 13 29.560 . . 1 . . . . . . . . 4114 1 1139 . 1 1 97 97 LYS CE C 13 41.700 . . 1 . . . . . . . . 4114 1 1140 . 1 1 97 97 LYS N N 15 121.350 . . 1 . . . . . . . . 4114 1 1141 . 1 1 98 98 ASN H H 1 8.240 . . 1 . . . . . . . . 4114 1 1142 . 1 1 98 98 ASN HA H 1 4.380 . . 1 . . . . . . . . 4114 1 1143 . 1 1 98 98 ASN HB2 H 1 2.870 . . 1 . . . . . . . . 4114 1 1144 . 1 1 98 98 ASN HB3 H 1 2.840 . . 1 . . . . . . . . 4114 1 1145 . 1 1 98 98 ASN HD21 H 1 7.610 . . 1 . . . . . . . . 4114 1 1146 . 1 1 98 98 ASN HD22 H 1 6.930 . . 1 . . . . . . . . 4114 1 1147 . 1 1 98 98 ASN CA C 13 55.830 . . 1 . . . . . . . . 4114 1 1148 . 1 1 98 98 ASN CB C 13 37.700 . . 1 . . . . . . . . 4114 1 1149 . 1 1 98 98 ASN N N 15 115.650 . . 1 . . . . . . . . 4114 1 1150 . 1 1 98 98 ASN ND2 N 15 112.440 . . 1 . . . . . . . . 4114 1 1151 . 1 1 99 99 HIS H H 1 8.170 . . 1 . . . . . . . . 4114 1 1152 . 1 1 99 99 HIS HA H 1 4.250 . . 1 . . . . . . . . 4114 1 1153 . 1 1 99 99 HIS HB2 H 1 2.660 . . 1 . . . . . . . . 4114 1 1154 . 1 1 99 99 HIS HB3 H 1 2.450 . . 1 . . . . . . . . 4114 1 1155 . 1 1 99 99 HIS HD2 H 1 5.690 . . 1 . . . . . . . . 4114 1 1156 . 1 1 99 99 HIS HE1 H 1 8.360 . . 1 . . . . . . . . 4114 1 1157 . 1 1 99 99 HIS CA C 13 58.700 . . 1 . . . . . . . . 4114 1 1158 . 1 1 99 99 HIS CB C 13 28.364 . . 1 . . . . . . . . 4114 1 1159 . 1 1 99 99 HIS CD2 C 13 119.200 . . 1 . . . . . . . . 4114 1 1160 . 1 1 99 99 HIS CE1 C 13 137.600 . . 1 . . . . . . . . 4114 1 1161 . 1 1 99 99 HIS N N 15 120.640 . . 1 . . . . . . . . 4114 1 1162 . 1 1 100 100 TRP H H 1 8.860 . . 1 . . . . . . . . 4114 1 1163 . 1 1 100 100 TRP HA H 1 3.860 . . 1 . . . . . . . . 4114 1 1164 . 1 1 100 100 TRP HB3 H 1 3.140 . . 1 . . . . . . . . 4114 1 1165 . 1 1 100 100 TRP HB2 H 1 2.980 . . 1 . . . . . . . . 4114 1 1166 . 1 1 100 100 TRP HD1 H 1 7.080 . . 1 . . . . . . . . 4114 1 1167 . 1 1 100 100 TRP HE1 H 1 10.250 . . 1 . . . . . . . . 4114 1 1168 . 1 1 100 100 TRP HE3 H 1 7.240 . . 1 . . . . . . . . 4114 1 1169 . 1 1 100 100 TRP HZ2 H 1 7.090 . . 1 . . . . . . . . 4114 1 1170 . 1 1 100 100 TRP HZ3 H 1 6.930 . . 1 . . . . . . . . 4114 1 1171 . 1 1 100 100 TRP HH2 H 1 7.050 . . 1 . . . . . . . . 4114 1 1172 . 1 1 100 100 TRP CA C 13 60.840 . . 1 . . . . . . . . 4114 1 1173 . 1 1 100 100 TRP CB C 13 28.876 . . 1 . . . . . . . . 4114 1 1174 . 1 1 100 100 TRP CD1 C 13 128.100 . . 1 . . . . . . . . 4114 1 1175 . 1 1 100 100 TRP CE3 C 13 120.079 . . 1 . . . . . . . . 4114 1 1176 . 1 1 100 100 TRP CZ2 C 13 125.052 . . 1 . . . . . . . . 4114 1 1177 . 1 1 100 100 TRP CZ3 C 13 121.322 . . 1 . . . . . . . . 4114 1 1178 . 1 1 100 100 TRP CH2 C 13 125.052 . . 1 . . . . . . . . 4114 1 1179 . 1 1 100 100 TRP N N 15 122.300 . . 1 . . . . . . . . 4114 1 1180 . 1 1 100 100 TRP NE1 N 15 129.100 . . 1 . . . . . . . . 4114 1 1181 . 1 1 101 101 ASN H H 1 8.110 . . 1 . . . . . . . . 4114 1 1182 . 1 1 101 101 ASN HA H 1 4.120 . . 1 . . . . . . . . 4114 1 1183 . 1 1 101 101 ASN HB2 H 1 2.800 . . 1 . . . . . . . . 4114 1 1184 . 1 1 101 101 ASN HB3 H 1 2.700 . . 1 . . . . . . . . 4114 1 1185 . 1 1 101 101 ASN HD21 H 1 7.590 . . 1 . . . . . . . . 4114 1 1186 . 1 1 101 101 ASN HD22 H 1 7.033 . . 1 . . . . . . . . 4114 1 1187 . 1 1 101 101 ASN CA C 13 55.880 . . 1 . . . . . . . . 4114 1 1188 . 1 1 101 101 ASN CB C 13 38.550 . . 1 . . . . . . . . 4114 1 1189 . 1 1 101 101 ASN N N 15 114.700 . . 1 . . . . . . . . 4114 1 1190 . 1 1 101 101 ASN ND2 N 15 112.440 . . 1 . . . . . . . . 4114 1 1191 . 1 1 102 102 SER H H 1 7.970 . . 1 . . . . . . . . 4114 1 1192 . 1 1 102 102 SER HA H 1 4.260 . . 1 . . . . . . . . 4114 1 1193 . 1 1 102 102 SER HB2 H 1 3.890 . . 1 . . . . . . . . 4114 1 1194 . 1 1 102 102 SER HB3 H 1 3.840 . . 1 . . . . . . . . 4114 1 1195 . 1 1 102 102 SER CA C 13 60.080 . . 1 . . . . . . . . 4114 1 1196 . 1 1 102 102 SER CB C 13 63.980 . . 1 . . . . . . . . 4114 1 1197 . 1 1 102 102 SER N N 15 112.560 . . 1 . . . . . . . . 4114 1 1198 . 1 1 103 103 THR H H 1 7.360 . . 1 . . . . . . . . 4114 1 1199 . 1 1 103 103 THR HA H 1 4.160 . . 1 . . . . . . . . 4114 1 1200 . 1 1 103 103 THR HB H 1 3.570 . . 1 . . . . . . . . 4114 1 1201 . 1 1 103 103 THR HG21 H 1 0.900 . . 1 . . . . . . . . 4114 1 1202 . 1 1 103 103 THR HG22 H 1 0.900 . . 1 . . . . . . . . 4114 1 1203 . 1 1 103 103 THR HG23 H 1 0.900 . . 1 . . . . . . . . 4114 1 1204 . 1 1 103 103 THR CA C 13 63.920 . . 1 . . . . . . . . 4114 1 1205 . 1 1 103 103 THR CB C 13 70.070 . . 1 . . . . . . . . 4114 1 1206 . 1 1 103 103 THR CG2 C 13 21.188 . . 1 . . . . . . . . 4114 1 1207 . 1 1 103 103 THR N N 15 114.460 . . 1 . . . . . . . . 4114 1 1208 . 1 1 104 104 ILE H H 1 7.270 . . 1 . . . . . . . . 4114 1 1209 . 1 1 104 104 ILE HA H 1 3.680 . . 1 . . . . . . . . 4114 1 1210 . 1 1 104 104 ILE HB H 1 1.480 . . 1 . . . . . . . . 4114 1 1211 . 1 1 104 104 ILE HG12 H 1 0.990 . . 1 . . . . . . . . 4114 1 1212 . 1 1 104 104 ILE HG13 H 1 0.760 . . 1 . . . . . . . . 4114 1 1213 . 1 1 104 104 ILE HG21 H 1 0.680 . . 1 . . . . . . . . 4114 1 1214 . 1 1 104 104 ILE HG22 H 1 0.680 . . 1 . . . . . . . . 4114 1 1215 . 1 1 104 104 ILE HG23 H 1 0.680 . . 1 . . . . . . . . 4114 1 1216 . 1 1 104 104 ILE HD11 H 1 0.680 . . 1 . . . . . . . . 4114 1 1217 . 1 1 104 104 ILE HD12 H 1 0.680 . . 1 . . . . . . . . 4114 1 1218 . 1 1 104 104 ILE HD13 H 1 0.680 . . 1 . . . . . . . . 4114 1 1219 . 1 1 104 104 ILE CA C 13 62.480 . . 1 . . . . . . . . 4114 1 1220 . 1 1 104 104 ILE CB C 13 37.500 . . 1 . . . . . . . . 4114 1 1221 . 1 1 104 104 ILE CG1 C 13 27.220 . . 1 . . . . . . . . 4114 1 1222 . 1 1 104 104 ILE CG2 C 13 18.120 . . 1 . . . . . . . . 4114 1 1223 . 1 1 104 104 ILE CD1 C 13 12.620 . . 1 . . . . . . . . 4114 1 1224 . 1 1 104 104 ILE N N 15 120.880 . . 1 . . . . . . . . 4114 1 1225 . 1 1 105 105 LYS H H 1 7.860 . . 1 . . . . . . . . 4114 1 1226 . 1 1 105 105 LYS HA H 1 3.520 . . 1 . . . . . . . . 4114 1 1227 . 1 1 105 105 LYS HB2 H 1 1.160 . . 1 . . . . . . . . 4114 1 1228 . 1 1 105 105 LYS HB3 H 1 1.040 . . 1 . . . . . . . . 4114 1 1229 . 1 1 105 105 LYS HG2 H 1 1.160 . . 1 . . . . . . . . 4114 1 1230 . 1 1 105 105 LYS HG3 H 1 1.160 . . 1 . . . . . . . . 4114 1 1231 . 1 1 105 105 LYS HD2 H 1 1.580 . . 1 . . . . . . . . 4114 1 1232 . 1 1 105 105 LYS HD3 H 1 1.520 . . 1 . . . . . . . . 4114 1 1233 . 1 1 105 105 LYS HE2 H 1 2.920 . . 1 . . . . . . . . 4114 1 1234 . 1 1 105 105 LYS HE3 H 1 2.890 . . 1 . . . . . . . . 4114 1 1235 . 1 1 105 105 LYS CA C 13 57.180 . . 1 . . . . . . . . 4114 1 1236 . 1 1 105 105 LYS CB C 13 32.000 . . 1 . . . . . . . . 4114 1 1237 . 1 1 105 105 LYS CG C 13 24.420 . . 1 . . . . . . . . 4114 1 1238 . 1 1 105 105 LYS CD C 13 29.170 . . 1 . . . . . . . . 4114 1 1239 . 1 1 105 105 LYS CE C 13 41.700 . . 1 . . . . . . . . 4114 1 1240 . 1 1 105 105 LYS N N 15 121.830 . . 1 . . . . . . . . 4114 1 1241 . 1 1 106 106 ARG H H 1 7.710 . . 1 . . . . . . . . 4114 1 1242 . 1 1 106 106 ARG HA H 1 4.180 . . 1 . . . . . . . . 4114 1 1243 . 1 1 106 106 ARG HB2 H 1 1.770 . . 1 . . . . . . . . 4114 1 1244 . 1 1 106 106 ARG HB3 H 1 1.670 . . 1 . . . . . . . . 4114 1 1245 . 1 1 106 106 ARG HG2 H 1 1.500 . . 1 . . . . . . . . 4114 1 1246 . 1 1 106 106 ARG HG3 H 1 1.500 . . 1 . . . . . . . . 4114 1 1247 . 1 1 106 106 ARG HD2 H 1 3.120 . . 1 . . . . . . . . 4114 1 1248 . 1 1 106 106 ARG HD3 H 1 3.120 . . 1 . . . . . . . . 4114 1 1249 . 1 1 106 106 ARG HE H 1 7.155 . . 1 . . . . . . . . 4114 1 1250 . 1 1 106 106 ARG CA C 13 56.130 . . 1 . . . . . . . . 4114 1 1251 . 1 1 106 106 ARG CB C 13 30.500 . . 1 . . . . . . . . 4114 1 1252 . 1 1 106 106 ARG CG C 13 27.020 . . 1 . . . . . . . . 4114 1 1253 . 1 1 106 106 ARG CD C 13 43.200 . . 1 . . . . . . . . 4114 1 1254 . 1 1 106 106 ARG N N 15 119.690 . . 1 . . . . . . . . 4114 1 1255 . 1 1 106 106 ARG NE N 15 84.300 . . 1 . . . . . . . . 4114 1 1256 . 1 1 107 107 LYS H H 1 8.120 . . 1 . . . . . . . . 4114 1 1257 . 1 1 107 107 LYS HA H 1 4.230 . . 1 . . . . . . . . 4114 1 1258 . 1 1 107 107 LYS HB2 H 1 1.800 . . 1 . . . . . . . . 4114 1 1259 . 1 1 107 107 LYS HB3 H 1 1.780 . . 1 . . . . . . . . 4114 1 1260 . 1 1 107 107 LYS HG2 H 1 1.420 . . 1 . . . . . . . . 4114 1 1261 . 1 1 107 107 LYS HG3 H 1 1.330 . . 1 . . . . . . . . 4114 1 1262 . 1 1 107 107 LYS HD2 H 1 1.610 . . 1 . . . . . . . . 4114 1 1263 . 1 1 107 107 LYS HD3 H 1 1.610 . . 1 . . . . . . . . 4114 1 1264 . 1 1 107 107 LYS HE2 H 1 2.880 . . 1 . . . . . . . . 4114 1 1265 . 1 1 107 107 LYS HE3 H 1 2.880 . . 1 . . . . . . . . 4114 1 1266 . 1 1 107 107 LYS CA C 13 56.650 . . 1 . . . . . . . . 4114 1 1267 . 1 1 107 107 LYS CB C 13 33.000 . . 1 . . . . . . . . 4114 1 1268 . 1 1 107 107 LYS CG C 13 24.720 . . 1 . . . . . . . . 4114 1 1269 . 1 1 107 107 LYS CD C 13 29.050 . . 1 . . . . . . . . 4114 1 1270 . 1 1 107 107 LYS CE C 13 41.850 . . 1 . . . . . . . . 4114 1 1271 . 1 1 107 107 LYS N N 15 121.830 . . 1 . . . . . . . . 4114 1 1272 . 1 1 107 107 LYS NZ N 15 8.010 . . 1 . . . . . . . . 4114 1 1273 . 1 1 108 108 VAL HA H 1 4.170 . . 1 . . . . . . . . 4114 1 1274 . 1 1 108 108 VAL HB H 1 2.110 . . 1 . . . . . . . . 4114 1 1275 . 1 1 108 108 VAL HG11 H 1 0.947 . . 2 . . . . . . . . 4114 1 1276 . 1 1 108 108 VAL HG12 H 1 0.947 . . 2 . . . . . . . . 4114 1 1277 . 1 1 108 108 VAL HG13 H 1 0.947 . . 2 . . . . . . . . 4114 1 1278 . 1 1 108 108 VAL HG21 H 1 0.937 . . 2 . . . . . . . . 4114 1 1279 . 1 1 108 108 VAL HG22 H 1 0.937 . . 2 . . . . . . . . 4114 1 1280 . 1 1 108 108 VAL HG23 H 1 0.937 . . 2 . . . . . . . . 4114 1 1281 . 1 1 108 108 VAL CA C 13 62.230 . . 1 . . . . . . . . 4114 1 1282 . 1 1 108 108 VAL CB C 13 33.100 . . 1 . . . . . . . . 4114 1 1283 . 1 1 108 108 VAL CG1 C 13 20.370 . . 1 . . . . . . . . 4114 1 1284 . 1 1 108 108 VAL CG2 C 13 21.281 . . 1 . . . . . . . . 4114 1 1285 . 1 1 108 108 VAL N N 15 119.690 . . 1 . . . . . . . . 4114 1 1286 . 1 1 109 109 ASP H H 1 8.400 . . 1 . . . . . . . . 4114 1 1287 . 1 1 109 109 ASP HA H 1 4.720 . . 1 . . . . . . . . 4114 1 1288 . 1 1 109 109 ASP HB2 H 1 2.780 . . 1 . . . . . . . . 4114 1 1289 . 1 1 109 109 ASP HB3 H 1 2.630 . . 1 . . . . . . . . 4114 1 1290 . 1 1 109 109 ASP CA C 13 54.680 . . 1 . . . . . . . . 4114 1 1291 . 1 1 109 109 ASP CB C 13 41.300 . . 1 . . . . . . . . 4114 1 1292 . 1 1 109 109 ASP N N 15 123.970 . . 1 . . . . . . . . 4114 1 1293 . 1 1 110 110 THR H H 1 7.770 . . 1 . . . . . . . . 4114 1 1294 . 1 1 110 110 THR HA H 1 4.130 . . 1 . . . . . . . . 4114 1 1295 . 1 1 110 110 THR HB H 1 4.240 . . 1 . . . . . . . . 4114 1 1296 . 1 1 110 110 THR HG21 H 1 1.160 . . 1 . . . . . . . . 4114 1 1297 . 1 1 110 110 THR HG22 H 1 1.160 . . 1 . . . . . . . . 4114 1 1298 . 1 1 110 110 THR HG23 H 1 1.160 . . 1 . . . . . . . . 4114 1 1299 . 1 1 110 110 THR CA C 13 63.578 . . 1 . . . . . . . . 4114 1 1300 . 1 1 110 110 THR CB C 13 70.927 . . 1 . . . . . . . . 4114 1 1301 . 1 1 110 110 THR CG2 C 13 22.402 . . 1 . . . . . . . . 4114 1 1302 . 1 1 110 110 THR N N 15 119.210 . . 1 . . . . . . . . 4114 1 stop_ save_