data_4697 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4697 _Entry.Title ; Structure of the fMet-tRNAfMet-binding domain of B. stearothermophilus initiation factor IF2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-22 _Entry.Accession_date 2000-03-22 _Entry.Last_release_date . _Entry.Original_release_date . _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 Sylvie Meunier . . . 4697 2 Roberto Spurio . . . 4697 3 Michael Czisch . . . 4697 4 Rainer Wechselberger . . . 4697 5 Marc Guennuegues . . . 4697 6 Claudio Gualerzi . O. . 4697 7 Rolf Boelens . . . 4697 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4697 heteronucl_NOEs 1 4697 heteronucl_T1_relaxation 1 4697 heteronucl_T2_relaxation 1 4697 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 4697 '15N chemical shifts' 122 4697 '1H chemical shifts' 688 4697 'heteronuclear NOE values' 90 4697 'T1 relaxation values' 90 4697 'T2 relaxation values' 90 4697 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2001-07-09 . original author 'Original release' 4697 1 . . 2006-06-01 . update BMRB 'Addition of relaxation data by Hans Wienk from Bijvoet Center for Biomolecular Research NMR Spectroscopy Research Group' 4697 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7088 'IF2 domain III-IV' 4697 PDB 1D1N 'BMRB Entry Tracking System' 4697 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4697 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20237627 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 8 _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 1918 _Citation.Page_last 1926 _Citation.Year 2000 _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 Sylvie Meunier . . . 4697 1 2 Roberto Spurio . . . 4697 1 3 Michael Czisch . . . 4697 1 4 Rainer Wechselberger . . . 4697 1 5 Marc Guennuegues . . . 4697 1 6 Claudio Gualerzi . O . 4697 1 7 Rolf Boelens . . . 4697 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial translation' 4697 1 NMR 4697 1 protein 4697 1 'protein biosynthesis' 4697 1 ribosome 4697 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IF2_C-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IF2_C-2 _Assembly.Entry_ID 4697 _Assembly.ID 1 _Assembly.Name 'fMet-tRNA binding domain of initiation factor IF2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 4697 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 'IF2 C-2' 1 $IF2_C-2 . . . native . . . . . 4697 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'fMet-tRNA binding domain of initiation factor IF2' system 4697 1 'IF2 C-2' abbreviation 4697 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF2_C-2 _Entity.Sf_category entity _Entity.Sf_framecode IF2_C-2 _Entity.Entry_ID 4697 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fMet-tRNA binding domain of initiation factor IF2' _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 ; EIEAAMKGMLDPEYEEKVIG QAEVRQTFKVSKVGTIAGCY VTDGKITRDSKVRLIRQGIV VYEGEIDSLKRYKDDVREVA QGYECGLTIKNFNDIKEGDV IEAYVMQEVARA ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1D1N . "Solution Structure Of The Fmet-Trnafmet Binding Domain Of Becillus Stearothermophillus Translation Initiation Factor If2" . . . . . 88.39 99 100.00 100.00 1.29e-61 . . . . 4697 1 2 no DBJ BAD75548 . "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" . . . . . 65.18 709 100.00 100.00 1.60e-39 . . . . 4697 1 3 no DBJ GAD12201 . "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" . . . . . 100.00 734 99.11 100.00 4.48e-68 . . . . 4697 1 4 no DBJ GAJ59418 . "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" . . . . . 100.00 739 99.11 100.00 4.39e-68 . . . . 4697 1 5 no EMBL CAA27987 . "unnamed protein product [Geobacillus stearothermophilus]" . . . . . 100.00 741 100.00 100.00 3.66e-68 . . . . 4697 1 6 no GB ABO66491 . "Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" . . . . . 100.00 735 98.21 100.00 2.35e-67 . . . . 4697 1 7 no GB ACX78663 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" . . . . . 100.00 739 99.11 100.00 4.39e-68 . . . . 4697 1 8 no GB ADI27260 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 100.00 739 99.11 100.00 4.26e-68 . . . . 4697 1 9 no GB ADU93636 . "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" . . . . . 100.00 739 99.11 100.00 4.39e-68 . . . . 4697 1 10 no GB AEV18768 . "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 100.00 739 99.11 100.00 4.39e-68 . . . . 4697 1 11 no REF WP_008878544 . "translation initiation factor IF-2 [Geobacillus sp. G11MC16]" . . . . . 100.00 735 98.21 100.00 2.28e-67 . . . . 4697 1 12 no REF WP_011230763 . "translation initiation factor IF-2 [Geobacillus kaustophilus]" . . . . . 65.18 709 100.00 100.00 1.60e-39 . . . . 4697 1 13 no REF WP_011887154 . "translation initiation factor IF-2 [Geobacillus thermodenitrificans]" . . . . . 100.00 735 98.21 100.00 2.35e-67 . . . . 4697 1 14 no REF WP_013145729 . "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" . . . . . 100.00 739 99.11 100.00 4.26e-68 . . . . 4697 1 15 no REF WP_013523417 . "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" . . . . . 100.00 739 99.11 100.00 4.39e-68 . . . . 4697 1 16 no SP A4IMD7 . "RecName: Full=Translation initiation factor IF-2" . . . . . 100.00 735 98.21 100.00 2.35e-67 . . . . 4697 1 17 no SP P04766 . "RecName: Full=Translation initiation factor IF-2" . . . . . 100.00 741 100.00 100.00 3.66e-68 . . . . 4697 1 18 no SP Q5L0I8 . "RecName: Full=Translation initiation factor IF-2" . . . . . 65.18 709 100.00 100.00 1.60e-39 . . . . 4697 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fMet-tRNA binding domain of initiation factor IF2' common 4697 1 'IF2 C-2' abbreviation 4697 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 . GLU . 4697 1 2 . ILE . 4697 1 3 . GLU . 4697 1 4 . ALA . 4697 1 5 . ALA . 4697 1 6 . MET . 4697 1 7 . LYS . 4697 1 8 . GLY . 4697 1 9 . MET . 4697 1 10 . LEU . 4697 1 11 . ASP . 4697 1 12 . PRO . 4697 1 13 . GLU . 4697 1 14 . TYR . 4697 1 15 . GLU . 4697 1 16 . GLU . 4697 1 17 . LYS . 4697 1 18 . VAL . 4697 1 19 . ILE . 4697 1 20 . GLY . 4697 1 21 . GLN . 4697 1 22 . ALA . 4697 1 23 . GLU . 4697 1 24 . VAL . 4697 1 25 . ARG . 4697 1 26 . GLN . 4697 1 27 . THR . 4697 1 28 . PHE . 4697 1 29 . LYS . 4697 1 30 . VAL . 4697 1 31 . SER . 4697 1 32 . LYS . 4697 1 33 . VAL . 4697 1 34 . GLY . 4697 1 35 . THR . 4697 1 36 . ILE . 4697 1 37 . ALA . 4697 1 38 . GLY . 4697 1 39 . CYS . 4697 1 40 . TYR . 4697 1 41 . VAL . 4697 1 42 . THR . 4697 1 43 . ASP . 4697 1 44 . GLY . 4697 1 45 . LYS . 4697 1 46 . ILE . 4697 1 47 . THR . 4697 1 48 . ARG . 4697 1 49 . ASP . 4697 1 50 . SER . 4697 1 51 . LYS . 4697 1 52 . VAL . 4697 1 53 . ARG . 4697 1 54 . LEU . 4697 1 55 . ILE . 4697 1 56 . ARG . 4697 1 57 . GLN . 4697 1 58 . GLY . 4697 1 59 . ILE . 4697 1 60 . VAL . 4697 1 61 . VAL . 4697 1 62 . TYR . 4697 1 63 . GLU . 4697 1 64 . GLY . 4697 1 65 . GLU . 4697 1 66 . ILE . 4697 1 67 . ASP . 4697 1 68 . SER . 4697 1 69 . LEU . 4697 1 70 . LYS . 4697 1 71 . ARG . 4697 1 72 . TYR . 4697 1 73 . LYS . 4697 1 74 . ASP . 4697 1 75 . ASP . 4697 1 76 . VAL . 4697 1 77 . ARG . 4697 1 78 . GLU . 4697 1 79 . VAL . 4697 1 80 . ALA . 4697 1 81 . GLN . 4697 1 82 . GLY . 4697 1 83 . TYR . 4697 1 84 . GLU . 4697 1 85 . CYS . 4697 1 86 . GLY . 4697 1 87 . LEU . 4697 1 88 . THR . 4697 1 89 . ILE . 4697 1 90 . LYS . 4697 1 91 . ASN . 4697 1 92 . PHE . 4697 1 93 . ASN . 4697 1 94 . ASP . 4697 1 95 . ILE . 4697 1 96 . LYS . 4697 1 97 . GLU . 4697 1 98 . GLY . 4697 1 99 . ASP . 4697 1 100 . VAL . 4697 1 101 . ILE . 4697 1 102 . GLU . 4697 1 103 . ALA . 4697 1 104 . TYR . 4697 1 105 . VAL . 4697 1 106 . MET . 4697 1 107 . GLN . 4697 1 108 . GLU . 4697 1 109 . VAL . 4697 1 110 . ALA . 4697 1 111 . ARG . 4697 1 112 . ALA . 4697 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 . GLU 1 1 4697 1 . ILE 2 2 4697 1 . GLU 3 3 4697 1 . ALA 4 4 4697 1 . ALA 5 5 4697 1 . MET 6 6 4697 1 . LYS 7 7 4697 1 . GLY 8 8 4697 1 . MET 9 9 4697 1 . LEU 10 10 4697 1 . ASP 11 11 4697 1 . PRO 12 12 4697 1 . GLU 13 13 4697 1 . TYR 14 14 4697 1 . GLU 15 15 4697 1 . GLU 16 16 4697 1 . LYS 17 17 4697 1 . VAL 18 18 4697 1 . ILE 19 19 4697 1 . GLY 20 20 4697 1 . GLN 21 21 4697 1 . ALA 22 22 4697 1 . GLU 23 23 4697 1 . VAL 24 24 4697 1 . ARG 25 25 4697 1 . GLN 26 26 4697 1 . THR 27 27 4697 1 . PHE 28 28 4697 1 . LYS 29 29 4697 1 . VAL 30 30 4697 1 . SER 31 31 4697 1 . LYS 32 32 4697 1 . VAL 33 33 4697 1 . GLY 34 34 4697 1 . THR 35 35 4697 1 . ILE 36 36 4697 1 . ALA 37 37 4697 1 . GLY 38 38 4697 1 . CYS 39 39 4697 1 . TYR 40 40 4697 1 . VAL 41 41 4697 1 . THR 42 42 4697 1 . ASP 43 43 4697 1 . GLY 44 44 4697 1 . LYS 45 45 4697 1 . ILE 46 46 4697 1 . THR 47 47 4697 1 . ARG 48 48 4697 1 . ASP 49 49 4697 1 . SER 50 50 4697 1 . LYS 51 51 4697 1 . VAL 52 52 4697 1 . ARG 53 53 4697 1 . LEU 54 54 4697 1 . ILE 55 55 4697 1 . ARG 56 56 4697 1 . GLN 57 57 4697 1 . GLY 58 58 4697 1 . ILE 59 59 4697 1 . VAL 60 60 4697 1 . VAL 61 61 4697 1 . TYR 62 62 4697 1 . GLU 63 63 4697 1 . GLY 64 64 4697 1 . GLU 65 65 4697 1 . ILE 66 66 4697 1 . ASP 67 67 4697 1 . SER 68 68 4697 1 . LEU 69 69 4697 1 . LYS 70 70 4697 1 . ARG 71 71 4697 1 . TYR 72 72 4697 1 . LYS 73 73 4697 1 . ASP 74 74 4697 1 . ASP 75 75 4697 1 . VAL 76 76 4697 1 . ARG 77 77 4697 1 . GLU 78 78 4697 1 . VAL 79 79 4697 1 . ALA 80 80 4697 1 . GLN 81 81 4697 1 . GLY 82 82 4697 1 . TYR 83 83 4697 1 . GLU 84 84 4697 1 . CYS 85 85 4697 1 . GLY 86 86 4697 1 . LEU 87 87 4697 1 . THR 88 88 4697 1 . ILE 89 89 4697 1 . LYS 90 90 4697 1 . ASN 91 91 4697 1 . PHE 92 92 4697 1 . ASN 93 93 4697 1 . ASP 94 94 4697 1 . ILE 95 95 4697 1 . LYS 96 96 4697 1 . GLU 97 97 4697 1 . GLY 98 98 4697 1 . ASP 99 99 4697 1 . VAL 100 100 4697 1 . ILE 101 101 4697 1 . GLU 102 102 4697 1 . ALA 103 103 4697 1 . TYR 104 104 4697 1 . VAL 105 105 4697 1 . MET 106 106 4697 1 . GLN 107 107 4697 1 . GLU 108 108 4697 1 . VAL 109 109 4697 1 . ALA 110 110 4697 1 . ARG 111 111 4697 1 . ALA 112 112 4697 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 4697 _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 $IF2_C-2 . 1422 organism . 'Bacillus stearothermophilus' 'Bacillus stearothermophilus' . . Bacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 4697 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 4697 _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 $IF2_C-2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4697 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4697 _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 'fMet-tRNA binding domain of initiation factor IF2' '[U-98% 15N]' . . 1 $IF2_C-2 . . 1.5 . . mM . . . . 4697 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4697 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fMet-tRNA binding domain of initiation factor IF2' '[U-10% 13C; U-98% 15N]' . . 1 $IF2_C-2 . . 1.5 . . mM . . . . 4697 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions _Sample_condition_list.Entry_ID 4697 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.200 0.01 M 4697 1 pH 5.2 0.1 pH 4697 1 temperature 312 1 K 4697 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4697 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4697 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4697 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 4697 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4697 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4697 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4697 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4697 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4697 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4697 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _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 . 4697 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 GLU C C 13 176.807 . . . . . . . . . . . 4697 1 2 . 1 1 1 1 GLU CA C 13 58.320 . . . . . . . . . . . 4697 1 3 . 1 1 1 1 GLU HA H 1 4.098 . . . . . . . . . . . 4697 1 4 . 1 1 1 1 GLU H H 1 8.733 . . . . . . . . . . . 4697 1 5 . 1 1 1 1 GLU N N 15 122.631 . . . . . . . . . . . 4697 1 6 . 1 1 2 2 ILE C C 13 176.313 . . . . . . . . . . . 4697 1 7 . 1 1 2 2 ILE CA C 13 58.753 . . . . . . . . . . . 4697 1 8 . 1 1 2 2 ILE HA H 1 4.494 . . . . . . . . . . . 4697 1 9 . 1 1 2 2 ILE HB H 1 2.359 . . . . . . . . . . . 4697 1 10 . 1 1 2 2 ILE H H 1 8.118 . . . . . . . . . . . 4697 1 11 . 1 1 2 2 ILE N N 15 121.449 . . . . . . . . . . . 4697 1 12 . 1 1 3 3 GLU C C 13 176.955 . . . . . . . . . . . 4697 1 13 . 1 1 3 3 GLU CA C 13 57.531 . . . . . . . . . . . 4697 1 14 . 1 1 3 3 GLU HA H 1 4.089 . . . . . . . . . . . 4697 1 15 . 1 1 3 3 GLU HB3 H 1 2.272 . . . . . . . . . . . 4697 1 16 . 1 1 3 3 GLU HB2 H 1 1.987 . . . . . . . . . . . 4697 1 17 . 1 1 3 3 GLU HG3 H 1 1.623 . . . . . . . . . . . 4697 1 18 . 1 1 3 3 GLU H H 1 8.081 . . . . . . . . . . . 4697 1 19 . 1 1 3 3 GLU N N 15 122.646 . . . . . . . . . . . 4697 1 20 . 1 1 4 4 ALA C C 13 178.311 . . . . . . . . . . . 4697 1 21 . 1 1 4 4 ALA CA C 13 53.670 . . . . . . . . . . . 4697 1 22 . 1 1 4 4 ALA CB C 13 32.985 . . . . . . . . . . . 4697 1 23 . 1 1 4 4 ALA HA H 1 3.963 . . . . . . . . . . . 4697 1 24 . 1 1 4 4 ALA HB1 H 1 1.881 . . . . . . . . . . . 4697 1 25 . 1 1 4 4 ALA HB2 H 1 1.881 . . . . . . . . . . . 4697 1 26 . 1 1 4 4 ALA HB3 H 1 1.881 . . . . . . . . . . . 4697 1 27 . 1 1 4 4 ALA H H 1 8.100 . . . . . . . . . . . 4697 1 28 . 1 1 4 4 ALA N N 15 124.649 . . . . . . . . . . . 4697 1 29 . 1 1 5 5 ALA C C 13 178.446 . . . . . . . . . . . 4697 1 30 . 1 1 5 5 ALA CA C 13 53.278 . . . . . . . . . . . 4697 1 31 . 1 1 5 5 ALA HA H 1 4.239 . . . . . . . . . . . 4697 1 32 . 1 1 5 5 ALA H H 1 7.952 . . . . . . . . . . . 4697 1 33 . 1 1 5 5 ALA N N 15 122.658 . . . . . . . . . . . 4697 1 34 . 1 1 6 6 MET C C 13 178.309 . . . . . . . . . . . 4697 1 35 . 1 1 6 6 MET CA C 13 56.032 . . . . . . . . . . . 4697 1 36 . 1 1 6 6 MET CB C 13 30.248 . . . . . . . . . . . 4697 1 37 . 1 1 6 6 MET HA H 1 4.350 . . . . . . . . . . . 4697 1 38 . 1 1 6 6 MET HB3 H 1 2.431 . . . . . . . . . . . 4697 1 39 . 1 1 6 6 MET HB2 H 1 2.525 . . . . . . . . . . . 4697 1 40 . 1 1 6 6 MET HG3 H 1 1.992 . . . . . . . . . . . 4697 1 41 . 1 1 6 6 MET HG2 H 1 2.019 . . . . . . . . . . . 4697 1 42 . 1 1 6 6 MET H H 1 7.910 . . . . . . . . . . . 4697 1 43 . 1 1 6 6 MET N N 15 119.102 . . . . . . . . . . . 4697 1 44 . 1 1 7 7 LYS C C 13 177.077 . . . . . . . . . . . 4697 1 45 . 1 1 7 7 LYS CA C 13 57.080 . . . . . . . . . . . 4697 1 46 . 1 1 7 7 LYS HA H 1 4.237 . . . . . . . . . . . 4697 1 47 . 1 1 7 7 LYS H H 1 7.958 . . . . . . . . . . . 4697 1 48 . 1 1 7 7 LYS N N 15 122.156 . . . . . . . . . . . 4697 1 49 . 1 1 8 8 GLY C C 13 174.171 . . . . . . . . . . . 4697 1 50 . 1 1 8 8 GLY CA C 13 45.576 . . . . . . . . . . . 4697 1 51 . 1 1 8 8 GLY HA3 H 1 3.909 . . . . . . . . . . . 4697 1 52 . 1 1 8 8 GLY H H 1 8.208 . . . . . . . . . . . 4697 1 53 . 1 1 8 8 GLY N N 15 110.330 . . . . . . . . . . . 4697 1 54 . 1 1 9 9 MET C C 13 175.787 . . . . . . . . . . . 4697 1 55 . 1 1 9 9 MET CA C 13 55.794 . . . . . . . . . . . 4697 1 56 . 1 1 9 9 MET CB C 13 41.600 . . . . . . . . . . . 4697 1 57 . 1 1 9 9 MET H H 1 7.969 . . . . . . . . . . . 4697 1 58 . 1 1 9 9 MET N N 15 120.525 . . . . . . . . . . . 4697 1 59 . 1 1 10 10 LEU CA C 13 54.907 . . . . . . . . . . . 4697 1 60 . 1 1 10 10 LEU HA H 1 4.346 . . . . . . . . . . . 4697 1 61 . 1 1 10 10 LEU H H 1 8.007 . . . . . . . . . . . 4697 1 62 . 1 1 10 10 LEU N N 15 123.276 . . . . . . . . . . . 4697 1 63 . 1 1 12 12 PRO C C 13 176.099 . . . . . . . . . . . 4697 1 64 . 1 1 12 12 PRO CA C 13 63.259 . . . . . . . . . . . 4697 1 65 . 1 1 13 13 GLU C C 13 175.219 . . . . . . . . . . . 4697 1 66 . 1 1 13 13 GLU CA C 13 55.917 . . . . . . . . . . . 4697 1 67 . 1 1 13 13 GLU HA H 1 4.320 . . . . . . . . . . . 4697 1 68 . 1 1 13 13 GLU HB3 H 1 1.943 . . . . . . . . . . . 4697 1 69 . 1 1 13 13 GLU HB2 H 1 1.834 . . . . . . . . . . . 4697 1 70 . 1 1 13 13 GLU HG3 H 1 2.271 . . . . . . . . . . . 4697 1 71 . 1 1 13 13 GLU HG2 H 1 2.151 . . . . . . . . . . . 4697 1 72 . 1 1 13 13 GLU H H 1 8.267 . . . . . . . . . . . 4697 1 73 . 1 1 13 13 GLU N N 15 121.039 . . . . . . . . . . . 4697 1 74 . 1 1 14 14 TYR C C 13 175.112 . . . . . . . . . . . 4697 1 75 . 1 1 14 14 TYR CA C 13 57.009 . . . . . . . . . . . 4697 1 76 . 1 1 14 14 TYR HA H 1 5.093 . . . . . . . . . . . 4697 1 77 . 1 1 14 14 TYR HB3 H 1 1.827 . . . . . . . . . . . 4697 1 78 . 1 1 14 14 TYR HB2 H 1 1.637 . . . . . . . . . . . 4697 1 79 . 1 1 14 14 TYR H H 1 8.107 . . . . . . . . . . . 4697 1 80 . 1 1 14 14 TYR N N 15 120.291 . . . . . . . . . . . 4697 1 81 . 1 1 15 15 GLU C C 13 174.710 . . . . . . . . . . . 4697 1 82 . 1 1 15 15 GLU CA C 13 54.263 . . . . . . . . . . . 4697 1 83 . 1 1 15 15 GLU HA H 1 4.720 . . . . . . . . . . . 4697 1 84 . 1 1 15 15 GLU HB3 H 1 2.161 . . . . . . . . . . . 4697 1 85 . 1 1 15 15 GLU HB2 H 1 1.947 . . . . . . . . . . . 4697 1 86 . 1 1 15 15 GLU HG3 H 1 2.233 . . . . . . . . . . . 4697 1 87 . 1 1 15 15 GLU HG2 H 1 2.233 . . . . . . . . . . . 4697 1 88 . 1 1 15 15 GLU H H 1 9.122 . . . . . . . . . . . 4697 1 89 . 1 1 15 15 GLU N N 15 121.528 . . . . . . . . . . . 4697 1 90 . 1 1 16 16 GLU C C 13 176.065 . . . . . . . . . . . 4697 1 91 . 1 1 16 16 GLU CA C 13 56.116 . . . . . . . . . . . 4697 1 92 . 1 1 16 16 GLU HA H 1 4.895 . . . . . . . . . . . 4697 1 93 . 1 1 16 16 GLU HB3 H 1 1.849 . . . . . . . . . . . 4697 1 94 . 1 1 16 16 GLU HB2 H 1 1.701 . . . . . . . . . . . 4697 1 95 . 1 1 16 16 GLU HG3 H 1 2.197 . . . . . . . . . . . 4697 1 96 . 1 1 16 16 GLU HG2 H 1 2.055 . . . . . . . . . . . 4697 1 97 . 1 1 16 16 GLU H H 1 8.530 . . . . . . . . . . . 4697 1 98 . 1 1 16 16 GLU N N 15 123.953 . . . . . . . . . . . 4697 1 99 . 1 1 17 17 LYS C C 13 175.174 . . . . . . . . . . . 4697 1 100 . 1 1 17 17 LYS CA C 13 54.774 . . . . . . . . . . . 4697 1 101 . 1 1 17 17 LYS HA H 1 4.621 . . . . . . . . . . . 4697 1 102 . 1 1 17 17 LYS HB3 H 1 1.765 . . . . . . . . . . . 4697 1 103 . 1 1 17 17 LYS HB2 H 1 1.556 . . . . . . . . . . . 4697 1 104 . 1 1 17 17 LYS HD3 H 1 1.566 . . . . . . . . . . . 4697 1 105 . 1 1 17 17 LYS HD2 H 1 1.566 . . . . . . . . . . . 4697 1 106 . 1 1 17 17 LYS HE3 H 1 2.900 . . . . . . . . . . . 4697 1 107 . 1 1 17 17 LYS HE2 H 1 2.900 . . . . . . . . . . . 4697 1 108 . 1 1 17 17 LYS HG3 H 1 1.322 . . . . . . . . . . . 4697 1 109 . 1 1 17 17 LYS HG2 H 1 1.175 . . . . . . . . . . . 4697 1 110 . 1 1 17 17 LYS H H 1 9.122 . . . . . . . . . . . 4697 1 111 . 1 1 17 17 LYS N N 15 127.233 . . . . . . . . . . . 4697 1 112 . 1 1 18 18 VAL C C 13 177.220 . . . . . . . . . . . 4697 1 113 . 1 1 18 18 VAL CA C 13 64.071 . . . . . . . . . . . 4697 1 114 . 1 1 18 18 VAL HA H 1 4.261 . . . . . . . . . . . 4697 1 115 . 1 1 18 18 VAL HB H 1 1.984 . . . . . . . . . . . 4697 1 116 . 1 1 18 18 VAL HG11 H 1 1.057 . . . . . . . . . . . 4697 1 117 . 1 1 18 18 VAL HG12 H 1 1.057 . . . . . . . . . . . 4697 1 118 . 1 1 18 18 VAL HG13 H 1 1.057 . . . . . . . . . . . 4697 1 119 . 1 1 18 18 VAL HG21 H 1 0.903 . . . . . . . . . . . 4697 1 120 . 1 1 18 18 VAL HG22 H 1 0.903 . . . . . . . . . . . 4697 1 121 . 1 1 18 18 VAL HG23 H 1 0.903 . . . . . . . . . . . 4697 1 122 . 1 1 18 18 VAL H H 1 8.717 . . . . . . . . . . . 4697 1 123 . 1 1 18 18 VAL N N 15 129.150 . . . . . . . . . . . 4697 1 124 . 1 1 19 19 ILE C C 13 176.315 . . . . . . . . . . . 4697 1 125 . 1 1 19 19 ILE CA C 13 61.147 . . . . . . . . . . . 4697 1 126 . 1 1 19 19 ILE HB H 1 1.912 . . . . . . . . . . . 4697 1 127 . 1 1 19 19 ILE H H 1 9.195 . . . . . . . . . . . 4697 1 128 . 1 1 19 19 ILE N N 15 124.143 . . . . . . . . . . . 4697 1 129 . 1 1 20 20 GLY C C 13 171.540 . . . . . . . . . . . 4697 1 130 . 1 1 20 20 GLY CA C 13 46.820 . . . . . . . . . . . 4697 1 131 . 1 1 20 20 GLY HA3 H 1 4.489 . . . . . . . . . . . 4697 1 132 . 1 1 20 20 GLY H H 1 7.820 . . . . . . . . . . . 4697 1 133 . 1 1 20 20 GLY N N 15 112.129 . . . . . . . . . . . 4697 1 134 . 1 1 21 21 GLN C C 13 173.828 . . . . . . . . . . . 4697 1 135 . 1 1 21 21 GLN CA C 13 46.820 . . . . . . . . . . . 4697 1 136 . 1 1 21 21 GLN CB C 13 33.691 . . . . . . . . . . . 4697 1 137 . 1 1 21 21 GLN HA H 1 5.535 . . . . . . . . . . . 4697 1 138 . 1 1 21 21 GLN HB3 H 1 1.999 . . . . . . . . . . . 4697 1 139 . 1 1 21 21 GLN HB2 H 1 1.941 . . . . . . . . . . . 4697 1 140 . 1 1 21 21 GLN HE21 H 1 7.486 . . . . . . . . . . . 4697 1 141 . 1 1 21 21 GLN HE22 H 1 6.811 . . . . . . . . . . . 4697 1 142 . 1 1 21 21 GLN HG3 H 1 2.361 . . . . . . . . . . . 4697 1 143 . 1 1 21 21 GLN HG2 H 1 2.270 . . . . . . . . . . . 4697 1 144 . 1 1 21 21 GLN H H 1 8.532 . . . . . . . . . . . 4697 1 145 . 1 1 21 21 GLN N N 15 117.567 . . . . . . . . . . . 4697 1 146 . 1 1 21 21 GLN NE2 N 15 113.521 . . . . . . . . . . . 4697 1 147 . 1 1 22 22 ALA C C 13 174.702 . . . . . . . . . . . 4697 1 148 . 1 1 22 22 ALA CA C 13 50.200 . . . . . . . . . . . 4697 1 149 . 1 1 22 22 ALA CB C 13 23.421 . . . . . . . . . . . 4697 1 150 . 1 1 22 22 ALA HA H 1 5.329 . . . . . . . . . . . 4697 1 151 . 1 1 22 22 ALA HB1 H 1 1.137 . . . . . . . . . . . 4697 1 152 . 1 1 22 22 ALA HB2 H 1 1.137 . . . . . . . . . . . 4697 1 153 . 1 1 22 22 ALA HB3 H 1 1.137 . . . . . . . . . . . 4697 1 154 . 1 1 22 22 ALA H H 1 9.412 . . . . . . . . . . . 4697 1 155 . 1 1 22 22 ALA N N 15 123.497 . . . . . . . . . . . 4697 1 156 . 1 1 23 23 GLU C C 13 176.338 . . . . . . . . . . . 4697 1 157 . 1 1 23 23 GLU CA C 13 54.561 . . . . . . . . . . . 4697 1 158 . 1 1 23 23 GLU CB C 13 32.757 . . . . . . . . . . . 4697 1 159 . 1 1 23 23 GLU HA H 1 4.994 . . . . . . . . . . . 4697 1 160 . 1 1 23 23 GLU HB3 H 1 2.124 . . . . . . . . . . . 4697 1 161 . 1 1 23 23 GLU HB2 H 1 2.030 . . . . . . . . . . . 4697 1 162 . 1 1 23 23 GLU HG3 H 1 2.337 . . . . . . . . . . . 4697 1 163 . 1 1 23 23 GLU HG2 H 1 2.325 . . . . . . . . . . . 4697 1 164 . 1 1 23 23 GLU H H 1 8.862 . . . . . . . . . . . 4697 1 165 . 1 1 23 23 GLU N N 15 121.281 . . . . . . . . . . . 4697 1 166 . 1 1 24 24 VAL C C 13 176.358 . . . . . . . . . . . 4697 1 167 . 1 1 24 24 VAL CA C 13 63.403 . . . . . . . . . . . 4697 1 168 . 1 1 24 24 VAL CB C 13 32.875 . . . . . . . . . . . 4697 1 169 . 1 1 24 24 VAL HA H 1 4.213 . . . . . . . . . . . 4697 1 170 . 1 1 24 24 VAL HB H 1 2.334 . . . . . . . . . . . 4697 1 171 . 1 1 24 24 VAL HG11 H 1 0.835 . . . . . . . . . . . 4697 1 172 . 1 1 24 24 VAL HG12 H 1 0.835 . . . . . . . . . . . 4697 1 173 . 1 1 24 24 VAL HG13 H 1 0.835 . . . . . . . . . . . 4697 1 174 . 1 1 24 24 VAL HG21 H 1 0.672 . . . . . . . . . . . 4697 1 175 . 1 1 24 24 VAL HG22 H 1 0.672 . . . . . . . . . . . 4697 1 176 . 1 1 24 24 VAL HG23 H 1 0.672 . . . . . . . . . . . 4697 1 177 . 1 1 24 24 VAL H H 1 8.999 . . . . . . . . . . . 4697 1 178 . 1 1 24 24 VAL N N 15 125.633 . . . . . . . . . . . 4697 1 179 . 1 1 25 25 ARG C C 13 175.768 . . . . . . . . . . . 4697 1 180 . 1 1 25 25 ARG CA C 13 56.893 . . . . . . . . . . . 4697 1 181 . 1 1 25 25 ARG CB C 13 31.847 . . . . . . . . . . . 4697 1 182 . 1 1 25 25 ARG HA H 1 4.504 . . . . . . . . . . . 4697 1 183 . 1 1 25 25 ARG HB3 H 1 1.901 . . . . . . . . . . . 4697 1 184 . 1 1 25 25 ARG HB2 H 1 1.826 . . . . . . . . . . . 4697 1 185 . 1 1 25 25 ARG HD3 H 1 3.138 . . . . . . . . . . . 4697 1 186 . 1 1 25 25 ARG HD2 H 1 3.138 . . . . . . . . . . . 4697 1 187 . 1 1 25 25 ARG HE H 1 7.392 . . . . . . . . . . . 4697 1 188 . 1 1 25 25 ARG HG3 H 1 1.612 . . . . . . . . . . . 4697 1 189 . 1 1 25 25 ARG HG2 H 1 1.612 . . . . . . . . . . . 4697 1 190 . 1 1 25 25 ARG H H 1 9.271 . . . . . . . . . . . 4697 1 191 . 1 1 25 25 ARG N N 15 132.457 . . . . . . . . . . . 4697 1 192 . 1 1 25 25 ARG NE N 15 125.118 . . . . . . . . . . . 4697 1 193 . 1 1 26 26 GLN C C 13 173.957 . . . . . . . . . . . 4697 1 194 . 1 1 26 26 GLN CA C 13 55.110 . . . . . . . . . . . 4697 1 195 . 1 1 26 26 GLN CB C 13 33.323 . . . . . . . . . . . 4697 1 196 . 1 1 26 26 GLN HA H 1 4.690 . . . . . . . . . . . 4697 1 197 . 1 1 26 26 GLN HB3 H 1 1.900 . . . . . . . . . . . 4697 1 198 . 1 1 26 26 GLN HB2 H 1 1.833 . . . . . . . . . . . 4697 1 199 . 1 1 26 26 GLN HE21 H 1 7.427 . . . . . . . . . . . 4697 1 200 . 1 1 26 26 GLN HE22 H 1 6.789 . . . . . . . . . . . 4697 1 201 . 1 1 26 26 GLN HG3 H 1 2.177 . . . . . . . . . . . 4697 1 202 . 1 1 26 26 GLN HG2 H 1 2.107 . . . . . . . . . . . 4697 1 203 . 1 1 26 26 GLN H H 1 8.186 . . . . . . . . . . . 4697 1 204 . 1 1 26 26 GLN N N 15 117.605 . . . . . . . . . . . 4697 1 205 . 1 1 26 26 GLN NE2 N 15 112.783 . . . . . . . . . . . 4697 1 206 . 1 1 27 27 THR C C 13 172.856 . . . . . . . . . . . 4697 1 207 . 1 1 27 27 THR CA C 13 59.702 . . . . . . . . . . . 4697 1 208 . 1 1 27 27 THR CB C 13 71.943 . . . . . . . . . . . 4697 1 209 . 1 1 27 27 THR HA H 1 5.126 . . . . . . . . . . . 4697 1 210 . 1 1 27 27 THR HB H 1 3.869 . . . . . . . . . . . 4697 1 211 . 1 1 27 27 THR HG21 H 1 0.827 . . . . . . . . . . . 4697 1 212 . 1 1 27 27 THR HG22 H 1 0.827 . . . . . . . . . . . 4697 1 213 . 1 1 27 27 THR HG23 H 1 0.827 . . . . . . . . . . . 4697 1 214 . 1 1 27 27 THR H H 1 8.353 . . . . . . . . . . . 4697 1 215 . 1 1 27 27 THR N N 15 113.167 . . . . . . . . . . . 4697 1 216 . 1 1 28 28 PHE C C 13 174.227 . . . . . . . . . . . 4697 1 217 . 1 1 28 28 PHE CA C 13 56.170 . . . . . . . . . . . 4697 1 218 . 1 1 28 28 PHE CB C 13 41.146 . . . . . . . . . . . 4697 1 219 . 1 1 28 28 PHE HA H 1 4.859 . . . . . . . . . . . 4697 1 220 . 1 1 28 28 PHE HB3 H 1 3.093 . . . . . . . . . . . 4697 1 221 . 1 1 28 28 PHE HB2 H 1 2.847 . . . . . . . . . . . 4697 1 222 . 1 1 28 28 PHE HD1 H 1 7.087 . . . . . . . . . . . 4697 1 223 . 1 1 28 28 PHE HD2 H 1 7.087 . . . . . . . . . . . 4697 1 224 . 1 1 28 28 PHE HE1 H 1 7.144 . . . . . . . . . . . 4697 1 225 . 1 1 28 28 PHE HE2 H 1 7.144 . . . . . . . . . . . 4697 1 226 . 1 1 28 28 PHE H H 1 8.766 . . . . . . . . . . . 4697 1 227 . 1 1 28 28 PHE N N 15 120.561 . . . . . . . . . . . 4697 1 228 . 1 1 29 29 LYS C C 13 175.988 . . . . . . . . . . . 4697 1 229 . 1 1 29 29 LYS CA C 13 56.095 . . . . . . . . . . . 4697 1 230 . 1 1 29 29 LYS CB C 13 32.849 . . . . . . . . . . . 4697 1 231 . 1 1 29 29 LYS HA H 1 4.779 . . . . . . . . . . . 4697 1 232 . 1 1 29 29 LYS HB3 H 1 1.726 . . . . . . . . . . . 4697 1 233 . 1 1 29 29 LYS HB2 H 1 1.626 . . . . . . . . . . . 4697 1 234 . 1 1 29 29 LYS HD3 H 1 1.628 . . . . . . . . . . . 4697 1 235 . 1 1 29 29 LYS HD2 H 1 1.628 . . . . . . . . . . . 4697 1 236 . 1 1 29 29 LYS HE3 H 1 2.922 . . . . . . . . . . . 4697 1 237 . 1 1 29 29 LYS HE2 H 1 2.922 . . . . . . . . . . . 4697 1 238 . 1 1 29 29 LYS HG3 H 1 1.411 . . . . . . . . . . . 4697 1 239 . 1 1 29 29 LYS HG2 H 1 1.350 . . . . . . . . . . . 4697 1 240 . 1 1 29 29 LYS H H 1 8.712 . . . . . . . . . . . 4697 1 241 . 1 1 29 29 LYS N N 15 125.793 . . . . . . . . . . . 4697 1 242 . 1 1 30 30 VAL C C 13 176.352 . . . . . . . . . . . 4697 1 243 . 1 1 30 30 VAL CA C 13 61.587 . . . . . . . . . . . 4697 1 244 . 1 1 30 30 VAL CB C 13 33.830 . . . . . . . . . . . 4697 1 245 . 1 1 30 30 VAL HA H 1 4.276 . . . . . . . . . . . 4697 1 246 . 1 1 30 30 VAL HB H 1 1.950 . . . . . . . . . . . 4697 1 247 . 1 1 30 30 VAL HG11 H 1 0.942 . . . . . . . . . . . 4697 1 248 . 1 1 30 30 VAL HG12 H 1 0.942 . . . . . . . . . . . 4697 1 249 . 1 1 30 30 VAL HG13 H 1 0.942 . . . . . . . . . . . 4697 1 250 . 1 1 30 30 VAL HG21 H 1 0.887 . . . . . . . . . . . 4697 1 251 . 1 1 30 30 VAL HG22 H 1 0.887 . . . . . . . . . . . 4697 1 252 . 1 1 30 30 VAL HG23 H 1 0.887 . . . . . . . . . . . 4697 1 253 . 1 1 30 30 VAL H H 1 8.386 . . . . . . . . . . . 4697 1 254 . 1 1 30 30 VAL N N 15 126.420 . . . . . . . . . . . 4697 1 255 . 1 1 31 31 SER C C 13 174.900 . . . . . . . . . . . 4697 1 256 . 1 1 31 31 SER CA C 13 60.281 . . . . . . . . . . . 4697 1 257 . 1 1 31 31 SER HA H 1 4.165 . . . . . . . . . . . 4697 1 258 . 1 1 31 31 SER HB3 H 1 3.918 . . . . . . . . . . . 4697 1 259 . 1 1 31 31 SER HB2 H 1 3.918 . . . . . . . . . . . 4697 1 260 . 1 1 31 31 SER H H 1 8.746 . . . . . . . . . . . 4697 1 261 . 1 1 31 31 SER N N 15 125.242 . . . . . . . . . . . 4697 1 262 . 1 1 32 32 LYS C C 13 176.272 . . . . . . . . . . . 4697 1 263 . 1 1 32 32 LYS CA C 13 59.244 . . . . . . . . . . . 4697 1 264 . 1 1 32 32 LYS CB C 13 31.422 . . . . . . . . . . . 4697 1 265 . 1 1 32 32 LYS HA H 1 3.925 . . . . . . . . . . . 4697 1 266 . 1 1 32 32 LYS HB3 H 1 2.085 . . . . . . . . . . . 4697 1 267 . 1 1 32 32 LYS HB2 H 1 1.941 . . . . . . . . . . . 4697 1 268 . 1 1 32 32 LYS HD3 H 1 1.660 . . . . . . . . . . . 4697 1 269 . 1 1 32 32 LYS HD2 H 1 1.660 . . . . . . . . . . . 4697 1 270 . 1 1 32 32 LYS HE3 H 1 2.963 . . . . . . . . . . . 4697 1 271 . 1 1 32 32 LYS HE2 H 1 2.963 . . . . . . . . . . . 4697 1 272 . 1 1 32 32 LYS HG3 H 1 1.445 . . . . . . . . . . . 4697 1 273 . 1 1 32 32 LYS HG2 H 1 1.392 . . . . . . . . . . . 4697 1 274 . 1 1 32 32 LYS H H 1 8.533 . . . . . . . . . . . 4697 1 275 . 1 1 32 32 LYS N N 15 119.957 . . . . . . . . . . . 4697 1 276 . 1 1 33 33 VAL C C 13 175.474 . . . . . . . . . . . 4697 1 277 . 1 1 33 33 VAL CA C 13 63.668 . . . . . . . . . . . 4697 1 278 . 1 1 33 33 VAL CB C 13 34.102 . . . . . . . . . . . 4697 1 279 . 1 1 33 33 VAL HA H 1 4.091 . . . . . . . . . . . 4697 1 280 . 1 1 33 33 VAL HB H 1 1.825 . . . . . . . . . . . 4697 1 281 . 1 1 33 33 VAL HG11 H 1 0.842 . . . . . . . . . . . 4697 1 282 . 1 1 33 33 VAL HG12 H 1 0.842 . . . . . . . . . . . 4697 1 283 . 1 1 33 33 VAL HG13 H 1 0.842 . . . . . . . . . . . 4697 1 284 . 1 1 33 33 VAL HG21 H 1 0.813 . . . . . . . . . . . 4697 1 285 . 1 1 33 33 VAL HG22 H 1 0.813 . . . . . . . . . . . 4697 1 286 . 1 1 33 33 VAL HG23 H 1 0.813 . . . . . . . . . . . 4697 1 287 . 1 1 33 33 VAL H H 1 7.872 . . . . . . . . . . . 4697 1 288 . 1 1 33 33 VAL N N 15 119.251 . . . . . . . . . . . 4697 1 289 . 1 1 34 34 GLY C C 13 172.490 . . . . . . . . . . . 4697 1 290 . 1 1 34 34 GLY CA C 13 44.861 . . . . . . . . . . . 4697 1 291 . 1 1 34 34 GLY HA3 H 1 4.338 . . . . . . . . . . . 4697 1 292 . 1 1 34 34 GLY HA2 H 1 3.711 . . . . . . . . . . . 4697 1 293 . 1 1 34 34 GLY H H 1 8.082 . . . . . . . . . . . 4697 1 294 . 1 1 34 34 GLY N N 15 109.440 . . . . . . . . . . . 4697 1 295 . 1 1 35 35 THR C C 13 172.755 . . . . . . . . . . . 4697 1 296 . 1 1 35 35 THR CA C 13 62.108 . . . . . . . . . . . 4697 1 297 . 1 1 35 35 THR CB C 13 70.531 . . . . . . . . . . . 4697 1 298 . 1 1 35 35 THR HA H 1 4.862 . . . . . . . . . . . 4697 1 299 . 1 1 35 35 THR HB H 1 4.037 . . . . . . . . . . . 4697 1 300 . 1 1 35 35 THR HG21 H 1 1.073 . . . . . . . . . . . 4697 1 301 . 1 1 35 35 THR HG22 H 1 1.073 . . . . . . . . . . . 4697 1 302 . 1 1 35 35 THR HG23 H 1 1.073 . . . . . . . . . . . 4697 1 303 . 1 1 35 35 THR H H 1 8.285 . . . . . . . . . . . 4697 1 304 . 1 1 35 35 THR N N 15 121.207 . . . . . . . . . . . 4697 1 305 . 1 1 36 36 ILE C C 13 174.841 . . . . . . . . . . . 4697 1 306 . 1 1 36 36 ILE CA C 13 60.495 . . . . . . . . . . . 4697 1 307 . 1 1 36 36 ILE HA H 1 4.210 . . . . . . . . . . . 4697 1 308 . 1 1 36 36 ILE HB H 1 1.644 . . . . . . . . . . . 4697 1 309 . 1 1 36 36 ILE HG21 H 1 0.728 . . . . . . . . . . . 4697 1 310 . 1 1 36 36 ILE HG22 H 1 0.728 . . . . . . . . . . . 4697 1 311 . 1 1 36 36 ILE HG23 H 1 0.728 . . . . . . . . . . . 4697 1 312 . 1 1 36 36 ILE H H 1 9.029 . . . . . . . . . . . 4697 1 313 . 1 1 36 36 ILE N N 15 128.282 . . . . . . . . . . . 4697 1 314 . 1 1 37 37 ALA C C 13 175.883 . . . . . . . . . . . 4697 1 315 . 1 1 37 37 ALA CA C 13 50.512 . . . . . . . . . . . 4697 1 316 . 1 1 37 37 ALA HA H 1 4.685 . . . . . . . . . . . 4697 1 317 . 1 1 37 37 ALA HB1 H 1 1.300 . . . . . . . . . . . 4697 1 318 . 1 1 37 37 ALA HB2 H 1 1.300 . . . . . . . . . . . 4697 1 319 . 1 1 37 37 ALA HB3 H 1 1.300 . . . . . . . . . . . 4697 1 320 . 1 1 37 37 ALA H H 1 9.216 . . . . . . . . . . . 4697 1 321 . 1 1 37 37 ALA N N 15 130.562 . . . . . . . . . . . 4697 1 322 . 1 1 38 38 GLY C C 13 173.850 . . . . . . . . . . . 4697 1 323 . 1 1 38 38 GLY CA C 13 46.425 . . . . . . . . . . . 4697 1 324 . 1 1 38 38 GLY HA3 H 1 4.953 . . . . . . . . . . . 4697 1 325 . 1 1 38 38 GLY HA2 H 1 3.659 . . . . . . . . . . . 4697 1 326 . 1 1 38 38 GLY H H 1 9.466 . . . . . . . . . . . 4697 1 327 . 1 1 38 38 GLY N N 15 117.056 . . . . . . . . . . . 4697 1 328 . 1 1 39 39 CYS C C 13 173.461 . . . . . . . . . . . 4697 1 329 . 1 1 39 39 CYS CA C 13 57.646 . . . . . . . . . . . 4697 1 330 . 1 1 39 39 CYS CB C 13 32.243 . . . . . . . . . . . 4697 1 331 . 1 1 39 39 CYS HA H 1 5.671 . . . . . . . . . . . 4697 1 332 . 1 1 39 39 CYS HB3 H 1 2.884 . . . . . . . . . . . 4697 1 333 . 1 1 39 39 CYS HB2 H 1 2.330 . . . . . . . . . . . 4697 1 334 . 1 1 39 39 CYS HG H 1 1.942 . . . . . . . . . . . 4697 1 335 . 1 1 39 39 CYS H H 1 9.241 . . . . . . . . . . . 4697 1 336 . 1 1 39 39 CYS N N 15 124.454 . . . . . . . . . . . 4697 1 337 . 1 1 40 40 TYR C C 13 174.599 . . . . . . . . . . . 4697 1 338 . 1 1 40 40 TYR CA C 13 57.174 . . . . . . . . . . . 4697 1 339 . 1 1 40 40 TYR CB C 13 41.842 . . . . . . . . . . . 4697 1 340 . 1 1 40 40 TYR HA H 1 4.901 . . . . . . . . . . . 4697 1 341 . 1 1 40 40 TYR HB3 H 1 2.829 . . . . . . . . . . . 4697 1 342 . 1 1 40 40 TYR HB2 H 1 2.829 . . . . . . . . . . . 4697 1 343 . 1 1 40 40 TYR HD1 H 1 6.819 . . . . . . . . . . . 4697 1 344 . 1 1 40 40 TYR HD2 H 1 6.819 . . . . . . . . . . . 4697 1 345 . 1 1 40 40 TYR HE1 H 1 6.637 . . . . . . . . . . . 4697 1 346 . 1 1 40 40 TYR HE2 H 1 6.637 . . . . . . . . . . . 4697 1 347 . 1 1 40 40 TYR H H 1 8.747 . . . . . . . . . . . 4697 1 348 . 1 1 40 40 TYR N N 15 123.814 . . . . . . . . . . . 4697 1 349 . 1 1 41 41 VAL C C 13 174.845 . . . . . . . . . . . 4697 1 350 . 1 1 41 41 VAL CA C 13 63.955 . . . . . . . . . . . 4697 1 351 . 1 1 41 41 VAL CB C 13 30.544 . . . . . . . . . . . 4697 1 352 . 1 1 41 41 VAL HA H 1 3.965 . . . . . . . . . . . 4697 1 353 . 1 1 41 41 VAL HB H 1 2.139 . . . . . . . . . . . 4697 1 354 . 1 1 41 41 VAL HG11 H 1 0.672 . . . . . . . . . . . 4697 1 355 . 1 1 41 41 VAL HG12 H 1 0.672 . . . . . . . . . . . 4697 1 356 . 1 1 41 41 VAL HG13 H 1 0.672 . . . . . . . . . . . 4697 1 357 . 1 1 41 41 VAL HG21 H 1 0.672 . . . . . . . . . . . 4697 1 358 . 1 1 41 41 VAL HG22 H 1 0.672 . . . . . . . . . . . 4697 1 359 . 1 1 41 41 VAL HG23 H 1 0.672 . . . . . . . . . . . 4697 1 360 . 1 1 41 41 VAL H H 1 7.834 . . . . . . . . . . . 4697 1 361 . 1 1 41 41 VAL N N 15 130.186 . . . . . . . . . . . 4697 1 362 . 1 1 42 42 THR C C 13 175.896 . . . . . . . . . . . 4697 1 363 . 1 1 42 42 THR CA C 13 62.909 . . . . . . . . . . . 4697 1 364 . 1 1 42 42 THR HA H 1 4.218 . . . . . . . . . . . 4697 1 365 . 1 1 42 42 THR HB H 1 4.284 . . . . . . . . . . . 4697 1 366 . 1 1 42 42 THR HG21 H 1 1.375 . . . . . . . . . . . 4697 1 367 . 1 1 42 42 THR HG22 H 1 1.375 . . . . . . . . . . . 4697 1 368 . 1 1 42 42 THR HG23 H 1 1.375 . . . . . . . . . . . 4697 1 369 . 1 1 42 42 THR H H 1 8.564 . . . . . . . . . . . 4697 1 370 . 1 1 42 42 THR N N 15 121.984 . . . . . . . . . . . 4697 1 371 . 1 1 43 43 ASP C C 13 174.585 . . . . . . . . . . . 4697 1 372 . 1 1 43 43 ASP CA C 13 54.186 . . . . . . . . . . . 4697 1 373 . 1 1 43 43 ASP CB C 13 45.083 . . . . . . . . . . . 4697 1 374 . 1 1 43 43 ASP HA H 1 4.790 . . . . . . . . . . . 4697 1 375 . 1 1 43 43 ASP HB3 H 1 2.561 . . . . . . . . . . . 4697 1 376 . 1 1 43 43 ASP HB2 H 1 2.337 . . . . . . . . . . . 4697 1 377 . 1 1 43 43 ASP H H 1 7.709 . . . . . . . . . . . 4697 1 378 . 1 1 43 43 ASP N N 15 121.502 . . . . . . . . . . . 4697 1 379 . 1 1 44 44 GLY C C 13 172.767 . . . . . . . . . . . 4697 1 380 . 1 1 44 44 GLY CA C 13 46.587 . . . . . . . . . . . 4697 1 381 . 1 1 44 44 GLY HA3 H 1 3.576 . . . . . . . . . . . 4697 1 382 . 1 1 44 44 GLY H H 1 8.390 . . . . . . . . . . . 4697 1 383 . 1 1 44 44 GLY N N 15 112.610 . . . . . . . . . . . 4697 1 384 . 1 1 45 45 LYS C C 13 172.616 . . . . . . . . . . . 4697 1 385 . 1 1 45 45 LYS CA C 13 54.665 . . . . . . . . . . . 4697 1 386 . 1 1 45 45 LYS CB C 13 35.643 . . . . . . . . . . . 4697 1 387 . 1 1 45 45 LYS HA H 1 5.058 . . . . . . . . . . . 4697 1 388 . 1 1 45 45 LYS HB3 H 1 1.399 . . . . . . . . . . . 4697 1 389 . 1 1 45 45 LYS H H 1 9.030 . . . . . . . . . . . 4697 1 390 . 1 1 45 45 LYS N N 15 125.204 . . . . . . . . . . . 4697 1 391 . 1 1 46 46 ILE C C 13 175.416 . . . . . . . . . . . 4697 1 392 . 1 1 46 46 ILE CA C 13 59.388 . . . . . . . . . . . 4697 1 393 . 1 1 46 46 ILE CB C 13 39.326 . . . . . . . . . . . 4697 1 394 . 1 1 46 46 ILE HA H 1 4.073 . . . . . . . . . . . 4697 1 395 . 1 1 46 46 ILE HB H 1 1.515 . . . . . . . . . . . 4697 1 396 . 1 1 46 46 ILE HD11 H 1 0.523 . . . . . . . . . . . 4697 1 397 . 1 1 46 46 ILE HD12 H 1 0.523 . . . . . . . . . . . 4697 1 398 . 1 1 46 46 ILE HD13 H 1 0.523 . . . . . . . . . . . 4697 1 399 . 1 1 46 46 ILE HG13 H 1 1.173 . . . . . . . . . . . 4697 1 400 . 1 1 46 46 ILE HG12 H 1 1.136 . . . . . . . . . . . 4697 1 401 . 1 1 46 46 ILE HG21 H 1 0.656 . . . . . . . . . . . 4697 1 402 . 1 1 46 46 ILE HG22 H 1 0.656 . . . . . . . . . . . 4697 1 403 . 1 1 46 46 ILE HG23 H 1 0.656 . . . . . . . . . . . 4697 1 404 . 1 1 46 46 ILE H H 1 8.225 . . . . . . . . . . . 4697 1 405 . 1 1 46 46 ILE N N 15 116.246 . . . . . . . . . . . 4697 1 406 . 1 1 47 47 THR C C 13 175.240 . . . . . . . . . . . 4697 1 407 . 1 1 47 47 THR CA C 13 58.776 . . . . . . . . . . . 4697 1 408 . 1 1 47 47 THR CB C 13 71.286 . . . . . . . . . . . 4697 1 409 . 1 1 47 47 THR HA H 1 5.251 . . . . . . . . . . . 4697 1 410 . 1 1 47 47 THR HB H 1 4.532 . . . . . . . . . . . 4697 1 411 . 1 1 47 47 THR HG21 H 1 1.008 . . . . . . . . . . . 4697 1 412 . 1 1 47 47 THR HG22 H 1 1.008 . . . . . . . . . . . 4697 1 413 . 1 1 47 47 THR HG23 H 1 1.008 . . . . . . . . . . . 4697 1 414 . 1 1 47 47 THR H H 1 6.960 . . . . . . . . . . . 4697 1 415 . 1 1 47 47 THR N N 15 114.110 . . . . . . . . . . . 4697 1 416 . 1 1 48 48 ARG C C 13 174.940 . . . . . . . . . . . 4697 1 417 . 1 1 48 48 ARG CA C 13 57.933 . . . . . . . . . . . 4697 1 418 . 1 1 48 48 ARG CB C 13 29.605 . . . . . . . . . . . 4697 1 419 . 1 1 48 48 ARG HA H 1 3.914 . . . . . . . . . . . 4697 1 420 . 1 1 48 48 ARG HB3 H 1 1.912 . . . . . . . . . . . 4697 1 421 . 1 1 48 48 ARG HB2 H 1 1.987 . . . . . . . . . . . 4697 1 422 . 1 1 48 48 ARG HD3 H 1 3.244 . . . . . . . . . . . 4697 1 423 . 1 1 48 48 ARG HD2 H 1 3.244 . . . . . . . . . . . 4697 1 424 . 1 1 48 48 ARG HE H 1 7.281 . . . . . . . . . . . 4697 1 425 . 1 1 48 48 ARG HG3 H 1 1.772 . . . . . . . . . . . 4697 1 426 . 1 1 48 48 ARG HG2 H 1 1.655 . . . . . . . . . . . 4697 1 427 . 1 1 48 48 ARG H H 1 8.366 . . . . . . . . . . . 4697 1 428 . 1 1 48 48 ARG N N 15 121.422 . . . . . . . . . . . 4697 1 429 . 1 1 48 48 ARG NE N 15 125.372 . . . . . . . . . . . 4697 1 430 . 1 1 49 49 ASP C C 13 175.762 . . . . . . . . . . . 4697 1 431 . 1 1 49 49 ASP CA C 13 53.079 . . . . . . . . . . . 4697 1 432 . 1 1 49 49 ASP CB C 13 40.552 . . . . . . . . . . . 4697 1 433 . 1 1 49 49 ASP HA H 1 4.778 . . . . . . . . . . . 4697 1 434 . 1 1 49 49 ASP HB3 H 1 2.683 . . . . . . . . . . . 4697 1 435 . 1 1 49 49 ASP HB2 H 1 2.683 . . . . . . . . . . . 4697 1 436 . 1 1 49 49 ASP H H 1 7.918 . . . . . . . . . . . 4697 1 437 . 1 1 49 49 ASP N N 15 116.127 . . . . . . . . . . . 4697 1 438 . 1 1 50 50 SER C C 13 174.441 . . . . . . . . . . . 4697 1 439 . 1 1 50 50 SER CA C 13 60.568 . . . . . . . . . . . 4697 1 440 . 1 1 50 50 SER CB C 13 64.285 . . . . . . . . . . . 4697 1 441 . 1 1 50 50 SER HA H 1 4.159 . . . . . . . . . . . 4697 1 442 . 1 1 50 50 SER HB3 H 1 3.868 . . . . . . . . . . . 4697 1 443 . 1 1 50 50 SER HB2 H 1 3.868 . . . . . . . . . . . 4697 1 444 . 1 1 50 50 SER H H 1 7.380 . . . . . . . . . . . 4697 1 445 . 1 1 50 50 SER N N 15 118.467 . . . . . . . . . . . 4697 1 446 . 1 1 51 51 LYS C C 13 175.975 . . . . . . . . . . . 4697 1 447 . 1 1 51 51 LYS CA C 13 55.269 . . . . . . . . . . . 4697 1 448 . 1 1 51 51 LYS HA H 1 4.451 . . . . . . . . . . . 4697 1 449 . 1 1 51 51 LYS HB3 H 1 0.265 . . . . . . . . . . . 4697 1 450 . 1 1 51 51 LYS HB2 H 1 1.238 . . . . . . . . . . . 4697 1 451 . 1 1 51 51 LYS HD3 H 1 1.474 . . . . . . . . . . . 4697 1 452 . 1 1 51 51 LYS HD2 H 1 1.474 . . . . . . . . . . . 4697 1 453 . 1 1 51 51 LYS HE3 H 1 2.892 . . . . . . . . . . . 4697 1 454 . 1 1 51 51 LYS HE2 H 1 2.892 . . . . . . . . . . . 4697 1 455 . 1 1 51 51 LYS HG3 H 1 1.238 . . . . . . . . . . . 4697 1 456 . 1 1 51 51 LYS HG2 H 1 1.238 . . . . . . . . . . . 4697 1 457 . 1 1 51 51 LYS H H 1 8.351 . . . . . . . . . . . 4697 1 458 . 1 1 51 51 LYS N N 15 122.690 . . . . . . . . . . . 4697 1 459 . 1 1 52 52 VAL C C 13 174.898 . . . . . . . . . . . 4697 1 460 . 1 1 52 52 VAL CA C 13 58.261 . . . . . . . . . . . 4697 1 461 . 1 1 52 52 VAL CB C 13 36.415 . . . . . . . . . . . 4697 1 462 . 1 1 52 52 VAL CG2 C 13 18.779 . . . . . . . . . . . 4697 1 463 . 1 1 52 52 VAL HA H 1 5.709 . . . . . . . . . . . 4697 1 464 . 1 1 52 52 VAL HB H 1 1.812 . . . . . . . . . . . 4697 1 465 . 1 1 52 52 VAL HG11 H 1 0.698 . . . . . . . . . . . 4697 1 466 . 1 1 52 52 VAL HG12 H 1 0.698 . . . . . . . . . . . 4697 1 467 . 1 1 52 52 VAL HG13 H 1 0.698 . . . . . . . . . . . 4697 1 468 . 1 1 52 52 VAL HG21 H 1 0.598 . . . . . . . . . . . 4697 1 469 . 1 1 52 52 VAL HG22 H 1 0.598 . . . . . . . . . . . 4697 1 470 . 1 1 52 52 VAL HG23 H 1 0.598 . . . . . . . . . . . 4697 1 471 . 1 1 52 52 VAL H H 1 8.168 . . . . . . . . . . . 4697 1 472 . 1 1 52 52 VAL N N 15 111.734 . . . . . . . . . . . 4697 1 473 . 1 1 53 53 ARG C C 13 173.553 . . . . . . . . . . . 4697 1 474 . 1 1 53 53 ARG CA C 13 54.508 . . . . . . . . . . . 4697 1 475 . 1 1 53 53 ARG CB C 13 33.676 . . . . . . . . . . . 4697 1 476 . 1 1 53 53 ARG HA H 1 5.091 . . . . . . . . . . . 4697 1 477 . 1 1 53 53 ARG HB3 H 1 1.825 . . . . . . . . . . . 4697 1 478 . 1 1 53 53 ARG HB2 H 1 1.825 . . . . . . . . . . . 4697 1 479 . 1 1 53 53 ARG HD3 H 1 3.037 . . . . . . . . . . . 4697 1 480 . 1 1 53 53 ARG HD2 H 1 3.037 . . . . . . . . . . . 4697 1 481 . 1 1 53 53 ARG HE H 1 7.406 . . . . . . . . . . . 4697 1 482 . 1 1 53 53 ARG HG3 H 1 1.609 . . . . . . . . . . . 4697 1 483 . 1 1 53 53 ARG HG2 H 1 1.609 . . . . . . . . . . . 4697 1 484 . 1 1 53 53 ARG H H 1 9.156 . . . . . . . . . . . 4697 1 485 . 1 1 53 53 ARG N N 15 122.488 . . . . . . . . . . . 4697 1 486 . 1 1 53 53 ARG NE N 15 123.715 . . . . . . . . . . . 4697 1 487 . 1 1 54 54 LEU C C 13 174.820 . . . . . . . . . . . 4697 1 488 . 1 1 54 54 LEU CA C 13 53.931 . . . . . . . . . . . 4697 1 489 . 1 1 54 54 LEU HA H 1 5.115 . . . . . . . . . . . 4697 1 490 . 1 1 54 54 LEU HB3 H 1 1.869 . . . . . . . . . . . 4697 1 491 . 1 1 54 54 LEU HB2 H 1 1.869 . . . . . . . . . . . 4697 1 492 . 1 1 54 54 LEU HG H 1 0.968 . . . . . . . . . . . 4697 1 493 . 1 1 54 54 LEU H H 1 8.880 . . . . . . . . . . . 4697 1 494 . 1 1 54 54 LEU N N 15 128.092 . . . . . . . . . . . 4697 1 495 . 1 1 55 55 ILE C C 13 174.491 . . . . . . . . . . . 4697 1 496 . 1 1 55 55 ILE CA C 13 60.799 . . . . . . . . . . . 4697 1 497 . 1 1 55 55 ILE CB C 13 45.437 . . . . . . . . . . . 4697 1 498 . 1 1 55 55 ILE HA H 1 4.685 . . . . . . . . . . . 4697 1 499 . 1 1 55 55 ILE HB H 1 1.703 . . . . . . . . . . . 4697 1 500 . 1 1 55 55 ILE HG13 H 1 0.715 . . . . . . . . . . . 4697 1 501 . 1 1 55 55 ILE HG12 H 1 0.715 . . . . . . . . . . . 4697 1 502 . 1 1 55 55 ILE HG21 H 1 0.638 . . . . . . . . . . . 4697 1 503 . 1 1 55 55 ILE HG22 H 1 0.638 . . . . . . . . . . . 4697 1 504 . 1 1 55 55 ILE HG23 H 1 0.638 . . . . . . . . . . . 4697 1 505 . 1 1 55 55 ILE H H 1 9.890 . . . . . . . . . . . 4697 1 506 . 1 1 55 55 ILE N N 15 130.411 . . . . . . . . . . . 4697 1 507 . 1 1 56 56 ARG C C 13 175.788 . . . . . . . . . . . 4697 1 508 . 1 1 56 56 ARG CA C 13 55.120 . . . . . . . . . . . 4697 1 509 . 1 1 56 56 ARG HA H 1 4.762 . . . . . . . . . . . 4697 1 510 . 1 1 56 56 ARG HB3 H 1 1.670 . . . . . . . . . . . 4697 1 511 . 1 1 56 56 ARG HB2 H 1 1.670 . . . . . . . . . . . 4697 1 512 . 1 1 56 56 ARG HD3 H 1 3.279 . . . . . . . . . . . 4697 1 513 . 1 1 56 56 ARG HD2 H 1 3.279 . . . . . . . . . . . 4697 1 514 . 1 1 56 56 ARG HE H 1 9.596 . . . . . . . . . . . 4697 1 515 . 1 1 56 56 ARG HG3 H 1 1.424 . . . . . . . . . . . 4697 1 516 . 1 1 56 56 ARG HG2 H 1 1.424 . . . . . . . . . . . 4697 1 517 . 1 1 56 56 ARG H H 1 9.294 . . . . . . . . . . . 4697 1 518 . 1 1 56 56 ARG N N 15 131.834 . . . . . . . . . . . 4697 1 519 . 1 1 56 56 ARG NE N 15 125.854 . . . . . . . . . . . 4697 1 520 . 1 1 57 57 GLN C C 13 175.873 . . . . . . . . . . . 4697 1 521 . 1 1 57 57 GLN CA C 13 56.943 . . . . . . . . . . . 4697 1 522 . 1 1 57 57 GLN CB C 13 26.906 . . . . . . . . . . . 4697 1 523 . 1 1 57 57 GLN HA H 1 3.866 . . . . . . . . . . . 4697 1 524 . 1 1 57 57 GLN HB3 H 1 2.297 . . . . . . . . . . . 4697 1 525 . 1 1 57 57 GLN HB2 H 1 2.059 . . . . . . . . . . . 4697 1 526 . 1 1 57 57 GLN HE21 H 1 7.471 . . . . . . . . . . . 4697 1 527 . 1 1 57 57 GLN HE22 H 1 7.069 . . . . . . . . . . . 4697 1 528 . 1 1 57 57 GLN HG3 H 1 2.352 . . . . . . . . . . . 4697 1 529 . 1 1 57 57 GLN HG2 H 1 2.352 . . . . . . . . . . . 4697 1 530 . 1 1 57 57 GLN H H 1 9.396 . . . . . . . . . . . 4697 1 531 . 1 1 57 57 GLN N N 15 128.438 . . . . . . . . . . . 4697 1 532 . 1 1 57 57 GLN NE2 N 15 116.971 . . . . . . . . . . . 4697 1 533 . 1 1 58 58 GLY C C 13 173.403 . . . . . . . . . . . 4697 1 534 . 1 1 58 58 GLY CA C 13 45.472 . . . . . . . . . . . 4697 1 535 . 1 1 58 58 GLY HA3 H 1 4.133 . . . . . . . . . . . 4697 1 536 . 1 1 58 58 GLY HA2 H 1 3.422 . . . . . . . . . . . 4697 1 537 . 1 1 58 58 GLY H H 1 8.099 . . . . . . . . . . . 4697 1 538 . 1 1 58 58 GLY N N 15 103.541 . . . . . . . . . . . 4697 1 539 . 1 1 59 59 ILE C C 13 175.203 . . . . . . . . . . . 4697 1 540 . 1 1 59 59 ILE CA C 13 59.002 . . . . . . . . . . . 4697 1 541 . 1 1 59 59 ILE HA H 1 4.295 . . . . . . . . . . . 4697 1 542 . 1 1 59 59 ILE HB H 1 1.952 . . . . . . . . . . . 4697 1 543 . 1 1 59 59 ILE HG13 H 1 1.441 . . . . . . . . . . . 4697 1 544 . 1 1 59 59 ILE HG12 H 1 1.217 . . . . . . . . . . . 4697 1 545 . 1 1 59 59 ILE HG21 H 1 0.821 . . . . . . . . . . . 4697 1 546 . 1 1 59 59 ILE HG22 H 1 0.821 . . . . . . . . . . . 4697 1 547 . 1 1 59 59 ILE HG23 H 1 0.821 . . . . . . . . . . . 4697 1 548 . 1 1 59 59 ILE H H 1 7.619 . . . . . . . . . . . 4697 1 549 . 1 1 59 59 ILE N N 15 123.083 . . . . . . . . . . . 4697 1 550 . 1 1 60 60 VAL C C 13 176.338 . . . . . . . . . . . 4697 1 551 . 1 1 60 60 VAL CA C 13 63.709 . . . . . . . . . . . 4697 1 552 . 1 1 60 60 VAL HA H 1 4.105 . . . . . . . . . . . 4697 1 553 . 1 1 60 60 VAL HB H 1 2.007 . . . . . . . . . . . 4697 1 554 . 1 1 60 60 VAL HG11 H 1 0.899 . . . . . . . . . . . 4697 1 555 . 1 1 60 60 VAL HG12 H 1 0.899 . . . . . . . . . . . 4697 1 556 . 1 1 60 60 VAL HG13 H 1 0.899 . . . . . . . . . . . 4697 1 557 . 1 1 60 60 VAL HG21 H 1 0.795 . . . . . . . . . . . 4697 1 558 . 1 1 60 60 VAL HG22 H 1 0.795 . . . . . . . . . . . 4697 1 559 . 1 1 60 60 VAL HG23 H 1 0.795 . . . . . . . . . . . 4697 1 560 . 1 1 60 60 VAL H H 1 8.621 . . . . . . . . . . . 4697 1 561 . 1 1 60 60 VAL N N 15 128.239 . . . . . . . . . . . 4697 1 562 . 1 1 61 61 VAL C C 13 175.686 . . . . . . . . . . . 4697 1 563 . 1 1 61 61 VAL CA C 13 62.463 . . . . . . . . . . . 4697 1 564 . 1 1 61 61 VAL CG1 C 13 21.047 . . . . . . . . . . . 4697 1 565 . 1 1 61 61 VAL HA H 1 4.267 . . . . . . . . . . . 4697 1 566 . 1 1 61 61 VAL HB H 1 2.129 . . . . . . . . . . . 4697 1 567 . 1 1 61 61 VAL HG11 H 1 1.056 . . . . . . . . . . . 4697 1 568 . 1 1 61 61 VAL HG12 H 1 1.056 . . . . . . . . . . . 4697 1 569 . 1 1 61 61 VAL HG13 H 1 1.056 . . . . . . . . . . . 4697 1 570 . 1 1 61 61 VAL HG21 H 1 0.897 . . . . . . . . . . . 4697 1 571 . 1 1 61 61 VAL HG22 H 1 0.897 . . . . . . . . . . . 4697 1 572 . 1 1 61 61 VAL HG23 H 1 0.897 . . . . . . . . . . . 4697 1 573 . 1 1 61 61 VAL H H 1 9.064 . . . . . . . . . . . 4697 1 574 . 1 1 61 61 VAL N N 15 127.515 . . . . . . . . . . . 4697 1 575 . 1 1 62 62 TYR C C 13 172.100 . . . . . . . . . . . 4697 1 576 . 1 1 62 62 TYR CA C 13 58.909 . . . . . . . . . . . 4697 1 577 . 1 1 62 62 TYR CB C 13 42.088 . . . . . . . . . . . 4697 1 578 . 1 1 62 62 TYR HA H 1 4.348 . . . . . . . . . . . 4697 1 579 . 1 1 62 62 TYR HB3 H 1 2.589 . . . . . . . . . . . 4697 1 580 . 1 1 62 62 TYR HB2 H 1 1.645 . . . . . . . . . . . 4697 1 581 . 1 1 62 62 TYR HD1 H 1 6.431 . . . . . . . . . . . 4697 1 582 . 1 1 62 62 TYR HD2 H 1 6.431 . . . . . . . . . . . 4697 1 583 . 1 1 62 62 TYR HE1 H 1 6.635 . . . . . . . . . . . 4697 1 584 . 1 1 62 62 TYR HE2 H 1 6.635 . . . . . . . . . . . 4697 1 585 . 1 1 62 62 TYR H H 1 7.407 . . . . . . . . . . . 4697 1 586 . 1 1 62 62 TYR N N 15 120.384 . . . . . . . . . . . 4697 1 587 . 1 1 63 63 GLU C C 13 174.381 . . . . . . . . . . . 4697 1 588 . 1 1 63 63 GLU CA C 13 54.866 . . . . . . . . . . . 4697 1 589 . 1 1 63 63 GLU CB C 13 32.117 . . . . . . . . . . . 4697 1 590 . 1 1 63 63 GLU HA H 1 4.971 . . . . . . . . . . . 4697 1 591 . 1 1 63 63 GLU HB3 H 1 1.874 . . . . . . . . . . . 4697 1 592 . 1 1 63 63 GLU HB2 H 1 1.668 . . . . . . . . . . . 4697 1 593 . 1 1 63 63 GLU HG3 H 1 2.143 . . . . . . . . . . . 4697 1 594 . 1 1 63 63 GLU HG2 H 1 2.057 . . . . . . . . . . . 4697 1 595 . 1 1 63 63 GLU H H 1 6.726 . . . . . . . . . . . 4697 1 596 . 1 1 63 63 GLU N N 15 127.842 . . . . . . . . . . . 4697 1 597 . 1 1 64 64 GLY C C 13 172.582 . . . . . . . . . . . 4697 1 598 . 1 1 64 64 GLY CA C 13 46.240 . . . . . . . . . . . 4697 1 599 . 1 1 64 64 GLY HA3 H 1 4.122 . . . . . . . . . . . 4697 1 600 . 1 1 64 64 GLY HA2 H 1 3.933 . . . . . . . . . . . 4697 1 601 . 1 1 64 64 GLY H H 1 8.713 . . . . . . . . . . . 4697 1 602 . 1 1 64 64 GLY N N 15 111.038 . . . . . . . . . . . 4697 1 603 . 1 1 65 65 GLU C C 13 175.167 . . . . . . . . . . . 4697 1 604 . 1 1 65 65 GLU CA C 13 55.181 . . . . . . . . . . . 4697 1 605 . 1 1 65 65 GLU CB C 13 33.601 . . . . . . . . . . . 4697 1 606 . 1 1 65 65 GLU HA H 1 4.892 . . . . . . . . . . . 4697 1 607 . 1 1 65 65 GLU HB3 H 1 2.141 . . . . . . . . . . . 4697 1 608 . 1 1 65 65 GLU HB2 H 1 1.915 . . . . . . . . . . . 4697 1 609 . 1 1 65 65 GLU HG3 H 1 2.216 . . . . . . . . . . . 4697 1 610 . 1 1 65 65 GLU HG2 H 1 2.216 . . . . . . . . . . . 4697 1 611 . 1 1 65 65 GLU H H 1 8.589 . . . . . . . . . . . 4697 1 612 . 1 1 65 65 GLU N N 15 124.262 . . . . . . . . . . . 4697 1 613 . 1 1 66 66 ILE C C 13 175.340 . . . . . . . . . . . 4697 1 614 . 1 1 66 66 ILE CA C 13 61.917 . . . . . . . . . . . 4697 1 615 . 1 1 66 66 ILE HA H 1 4.145 . . . . . . . . . . . 4697 1 616 . 1 1 66 66 ILE HB H 1 2.002 . . . . . . . . . . . 4697 1 617 . 1 1 66 66 ILE HG13 H 1 1.678 . . . . . . . . . . . 4697 1 618 . 1 1 66 66 ILE HG12 H 1 1.678 . . . . . . . . . . . 4697 1 619 . 1 1 66 66 ILE HG21 H 1 0.939 . . . . . . . . . . . 4697 1 620 . 1 1 66 66 ILE HG22 H 1 0.939 . . . . . . . . . . . 4697 1 621 . 1 1 66 66 ILE HG23 H 1 0.939 . . . . . . . . . . . 4697 1 622 . 1 1 66 66 ILE H H 1 8.410 . . . . . . . . . . . 4697 1 623 . 1 1 66 66 ILE N N 15 123.743 . . . . . . . . . . . 4697 1 624 . 1 1 67 67 ASP C C 13 174.613 . . . . . . . . . . . 4697 1 625 . 1 1 67 67 ASP CA C 13 54.420 . . . . . . . . . . . 4697 1 626 . 1 1 67 67 ASP CB C 13 42.506 . . . . . . . . . . . 4697 1 627 . 1 1 67 67 ASP HA H 1 4.896 . . . . . . . . . . . 4697 1 628 . 1 1 67 67 ASP HB3 H 1 2.705 . . . . . . . . . . . 4697 1 629 . 1 1 67 67 ASP HB2 H 1 2.192 . . . . . . . . . . . 4697 1 630 . 1 1 67 67 ASP H H 1 8.905 . . . . . . . . . . . 4697 1 631 . 1 1 67 67 ASP N N 15 127.570 . . . . . . . . . . . 4697 1 632 . 1 1 68 68 SER C C 13 170.989 . . . . . . . . . . . 4697 1 633 . 1 1 68 68 SER CA C 13 57.962 . . . . . . . . . . . 4697 1 634 . 1 1 68 68 SER CB C 13 65.628 . . . . . . . . . . . 4697 1 635 . 1 1 68 68 SER HA H 1 4.442 . . . . . . . . . . . 4697 1 636 . 1 1 68 68 SER HB3 H 1 3.769 . . . . . . . . . . . 4697 1 637 . 1 1 68 68 SER HB2 H 1 3.682 . . . . . . . . . . . 4697 1 638 . 1 1 68 68 SER H H 1 7.603 . . . . . . . . . . . 4697 1 639 . 1 1 68 68 SER N N 15 114.048 . . . . . . . . . . . 4697 1 640 . 1 1 69 69 LEU C C 13 174.131 . . . . . . . . . . . 4697 1 641 . 1 1 69 69 LEU CA C 13 54.988 . . . . . . . . . . . 4697 1 642 . 1 1 69 69 LEU CB C 13 45.371 . . . . . . . . . . . 4697 1 643 . 1 1 69 69 LEU HA H 1 4.936 . . . . . . . . . . . 4697 1 644 . 1 1 69 69 LEU HB3 H 1 1.938 . . . . . . . . . . . 4697 1 645 . 1 1 69 69 LEU HB2 H 1 1.938 . . . . . . . . . . . 4697 1 646 . 1 1 69 69 LEU HD11 H 1 0.463 . . . . . . . . . . . 4697 1 647 . 1 1 69 69 LEU HD12 H 1 0.463 . . . . . . . . . . . 4697 1 648 . 1 1 69 69 LEU HD13 H 1 0.463 . . . . . . . . . . . 4697 1 649 . 1 1 69 69 LEU HD21 H 1 0.463 . . . . . . . . . . . 4697 1 650 . 1 1 69 69 LEU HD22 H 1 0.463 . . . . . . . . . . . 4697 1 651 . 1 1 69 69 LEU HD23 H 1 0.463 . . . . . . . . . . . 4697 1 652 . 1 1 69 69 LEU HG H 1 1.119 . . . . . . . . . . . 4697 1 653 . 1 1 69 69 LEU H H 1 8.270 . . . . . . . . . . . 4697 1 654 . 1 1 69 69 LEU N N 15 124.998 . . . . . . . . . . . 4697 1 655 . 1 1 70 70 LYS C C 13 176.469 . . . . . . . . . . . 4697 1 656 . 1 1 70 70 LYS CA C 13 54.794 . . . . . . . . . . . 4697 1 657 . 1 1 70 70 LYS CB C 13 38.435 . . . . . . . . . . . 4697 1 658 . 1 1 70 70 LYS HA H 1 5.323 . . . . . . . . . . . 4697 1 659 . 1 1 70 70 LYS HB3 H 1 1.467 . . . . . . . . . . . 4697 1 660 . 1 1 70 70 LYS HB2 H 1 1.467 . . . . . . . . . . . 4697 1 661 . 1 1 70 70 LYS H H 1 9.085 . . . . . . . . . . . 4697 1 662 . 1 1 70 70 LYS N N 15 125.587 . . . . . . . . . . . 4697 1 663 . 1 1 71 71 ARG C C 13 175.826 . . . . . . . . . . . 4697 1 664 . 1 1 71 71 ARG CA C 13 55.988 . . . . . . . . . . . 4697 1 665 . 1 1 71 71 ARG CB C 13 31.677 . . . . . . . . . . . 4697 1 666 . 1 1 71 71 ARG HA H 1 4.386 . . . . . . . . . . . 4697 1 667 . 1 1 71 71 ARG HB3 H 1 1.718 . . . . . . . . . . . 4697 1 668 . 1 1 71 71 ARG HB2 H 1 1.524 . . . . . . . . . . . 4697 1 669 . 1 1 71 71 ARG H H 1 8.430 . . . . . . . . . . . 4697 1 670 . 1 1 71 71 ARG N N 15 121.825 . . . . . . . . . . . 4697 1 671 . 1 1 72 72 TYR C C 13 175.219 . . . . . . . . . . . 4697 1 672 . 1 1 72 72 TYR CA C 13 59.593 . . . . . . . . . . . 4697 1 673 . 1 1 72 72 TYR CB C 13 35.165 . . . . . . . . . . . 4697 1 674 . 1 1 72 72 TYR HA H 1 4.035 . . . . . . . . . . . 4697 1 675 . 1 1 72 72 TYR HB3 H 1 3.321 . . . . . . . . . . . 4697 1 676 . 1 1 72 72 TYR HB2 H 1 3.187 . . . . . . . . . . . 4697 1 677 . 1 1 72 72 TYR HD1 H 1 7.100 . . . . . . . . . . . 4697 1 678 . 1 1 72 72 TYR HD2 H 1 7.100 . . . . . . . . . . . 4697 1 679 . 1 1 72 72 TYR HE1 H 1 6.865 . . . . . . . . . . . 4697 1 680 . 1 1 72 72 TYR HE2 H 1 6.865 . . . . . . . . . . . 4697 1 681 . 1 1 72 72 TYR H H 1 8.924 . . . . . . . . . . . 4697 1 682 . 1 1 72 72 TYR N N 15 126.079 . . . . . . . . . . . 4697 1 683 . 1 1 73 73 LYS C C 13 176.168 . . . . . . . . . . . 4697 1 684 . 1 1 73 73 LYS CA C 13 57.080 . . . . . . . . . . . 4697 1 685 . 1 1 73 73 LYS CB C 13 32.388 . . . . . . . . . . . 4697 1 686 . 1 1 73 73 LYS HA H 1 4.142 . . . . . . . . . . . 4697 1 687 . 1 1 73 73 LYS HB3 H 1 1.908 . . . . . . . . . . . 4697 1 688 . 1 1 73 73 LYS HB2 H 1 1.824 . . . . . . . . . . . 4697 1 689 . 1 1 73 73 LYS HD3 H 1 1.590 . . . . . . . . . . . 4697 1 690 . 1 1 73 73 LYS HD2 H 1 1.590 . . . . . . . . . . . 4697 1 691 . 1 1 73 73 LYS HE3 H 1 2.925 . . . . . . . . . . . 4697 1 692 . 1 1 73 73 LYS HE2 H 1 2.925 . . . . . . . . . . . 4697 1 693 . 1 1 73 73 LYS HG3 H 1 1.257 . . . . . . . . . . . 4697 1 694 . 1 1 73 73 LYS HG2 H 1 1.264 . . . . . . . . . . . 4697 1 695 . 1 1 73 73 LYS H H 1 8.096 . . . . . . . . . . . 4697 1 696 . 1 1 73 73 LYS N N 15 120.251 . . . . . . . . . . . 4697 1 697 . 1 1 74 74 ASP C C 13 175.167 . . . . . . . . . . . 4697 1 698 . 1 1 74 74 ASP CA C 13 56.005 . . . . . . . . . . . 4697 1 699 . 1 1 74 74 ASP CB C 13 42.615 . . . . . . . . . . . 4697 1 700 . 1 1 74 74 ASP HA H 1 4.850 . . . . . . . . . . . 4697 1 701 . 1 1 74 74 ASP HB3 H 1 2.622 . . . . . . . . . . . 4697 1 702 . 1 1 74 74 ASP HB2 H 1 2.622 . . . . . . . . . . . 4697 1 703 . 1 1 74 74 ASP H H 1 7.997 . . . . . . . . . . . 4697 1 704 . 1 1 74 74 ASP N N 15 121.768 . . . . . . . . . . . 4697 1 705 . 1 1 75 75 ASP C C 13 176.272 . . . . . . . . . . . 4697 1 706 . 1 1 75 75 ASP CA C 13 55.540 . . . . . . . . . . . 4697 1 707 . 1 1 75 75 ASP CB C 13 41.816 . . . . . . . . . . . 4697 1 708 . 1 1 75 75 ASP HA H 1 4.948 . . . . . . . . . . . 4697 1 709 . 1 1 75 75 ASP HB3 H 1 2.659 . . . . . . . . . . . 4697 1 710 . 1 1 75 75 ASP HB2 H 1 2.490 . . . . . . . . . . . 4697 1 711 . 1 1 75 75 ASP H H 1 8.451 . . . . . . . . . . . 4697 1 712 . 1 1 75 75 ASP N N 15 123.959 . . . . . . . . . . . 4697 1 713 . 1 1 76 76 VAL C C 13 175.058 . . . . . . . . . . . 4697 1 714 . 1 1 76 76 VAL CA C 13 59.318 . . . . . . . . . . . 4697 1 715 . 1 1 76 76 VAL CB C 13 35.624 . . . . . . . . . . . 4697 1 716 . 1 1 76 76 VAL CG2 C 13 19.118 . . . . . . . . . . . 4697 1 717 . 1 1 76 76 VAL HA H 1 4.778 . . . . . . . . . . . 4697 1 718 . 1 1 76 76 VAL HB H 1 2.213 . . . . . . . . . . . 4697 1 719 . 1 1 76 76 VAL HG11 H 1 0.896 . . . . . . . . . . . 4697 1 720 . 1 1 76 76 VAL HG12 H 1 0.896 . . . . . . . . . . . 4697 1 721 . 1 1 76 76 VAL HG13 H 1 0.896 . . . . . . . . . . . 4697 1 722 . 1 1 76 76 VAL HG21 H 1 0.474 . . . . . . . . . . . 4697 1 723 . 1 1 76 76 VAL HG22 H 1 0.474 . . . . . . . . . . . 4697 1 724 . 1 1 76 76 VAL HG23 H 1 0.474 . . . . . . . . . . . 4697 1 725 . 1 1 76 76 VAL H H 1 8.243 . . . . . . . . . . . 4697 1 726 . 1 1 76 76 VAL N N 15 116.808 . . . . . . . . . . . 4697 1 727 . 1 1 77 77 ARG C C 13 176.392 . . . . . . . . . . . 4697 1 728 . 1 1 77 77 ARG CA C 13 57.626 . . . . . . . . . . . 4697 1 729 . 1 1 77 77 ARG CB C 13 31.238 . . . . . . . . . . . 4697 1 730 . 1 1 77 77 ARG HA H 1 4.137 . . . . . . . . . . . 4697 1 731 . 1 1 77 77 ARG HB3 H 1 1.908 . . . . . . . . . . . 4697 1 732 . 1 1 77 77 ARG HB2 H 1 1.790 . . . . . . . . . . . 4697 1 733 . 1 1 77 77 ARG HD3 H 1 3.186 . . . . . . . . . . . 4697 1 734 . 1 1 77 77 ARG HD2 H 1 3.186 . . . . . . . . . . . 4697 1 735 . 1 1 77 77 ARG HE H 1 7.261 . . . . . . . . . . . 4697 1 736 . 1 1 77 77 ARG HG3 H 1 1.690 . . . . . . . . . . . 4697 1 737 . 1 1 77 77 ARG HG2 H 1 1.648 . . . . . . . . . . . 4697 1 738 . 1 1 77 77 ARG H H 1 8.502 . . . . . . . . . . . 4697 1 739 . 1 1 77 77 ARG N N 15 120.492 . . . . . . . . . . . 4697 1 740 . 1 1 77 77 ARG NE N 15 136.162 . . . . . . . . . . . 4697 1 741 . 1 1 78 78 GLU C C 13 173.650 . . . . . . . . . . . 4697 1 742 . 1 1 78 78 GLU CA C 13 54.505 . . . . . . . . . . . 4697 1 743 . 1 1 78 78 GLU CB C 13 33.344 . . . . . . . . . . . 4697 1 744 . 1 1 78 78 GLU HA H 1 5.078 . . . . . . . . . . . 4697 1 745 . 1 1 78 78 GLU HB3 H 1 1.892 . . . . . . . . . . . 4697 1 746 . 1 1 78 78 GLU HB2 H 1 1.699 . . . . . . . . . . . 4697 1 747 . 1 1 78 78 GLU HG3 H 1 1.979 . . . . . . . . . . . 4697 1 748 . 1 1 78 78 GLU HG2 H 1 1.979 . . . . . . . . . . . 4697 1 749 . 1 1 78 78 GLU H H 1 7.398 . . . . . . . . . . . 4697 1 750 . 1 1 78 78 GLU N N 15 114.989 . . . . . . . . . . . 4697 1 751 . 1 1 79 79 VAL C C 13 173.241 . . . . . . . . . . . 4697 1 752 . 1 1 79 79 VAL CA C 13 62.202 . . . . . . . . . . . 4697 1 753 . 1 1 79 79 VAL CB C 13 34.561 . . . . . . . . . . . 4697 1 754 . 1 1 79 79 VAL HA H 1 3.989 . . . . . . . . . . . 4697 1 755 . 1 1 79 79 VAL HB H 1 1.634 . . . . . . . . . . . 4697 1 756 . 1 1 79 79 VAL HG11 H 1 0.854 . . . . . . . . . . . 4697 1 757 . 1 1 79 79 VAL HG12 H 1 0.854 . . . . . . . . . . . 4697 1 758 . 1 1 79 79 VAL HG13 H 1 0.854 . . . . . . . . . . . 4697 1 759 . 1 1 79 79 VAL HG21 H 1 0.669 . . . . . . . . . . . 4697 1 760 . 1 1 79 79 VAL HG22 H 1 0.669 . . . . . . . . . . . 4697 1 761 . 1 1 79 79 VAL HG23 H 1 0.669 . . . . . . . . . . . 4697 1 762 . 1 1 79 79 VAL H H 1 8.601 . . . . . . . . . . . 4697 1 763 . 1 1 79 79 VAL N N 15 121.851 . . . . . . . . . . . 4697 1 764 . 1 1 80 80 ALA C C 13 175.531 . . . . . . . . . . . 4697 1 765 . 1 1 80 80 ALA CA C 13 51.026 . . . . . . . . . . . 4697 1 766 . 1 1 80 80 ALA CB C 13 21.972 . . . . . . . . . . . 4697 1 767 . 1 1 80 80 ALA HA H 1 4.728 . . . . . . . . . . . 4697 1 768 . 1 1 80 80 ALA HB1 H 1 1.481 . . . . . . . . . . . 4697 1 769 . 1 1 80 80 ALA HB2 H 1 1.481 . . . . . . . . . . . 4697 1 770 . 1 1 80 80 ALA HB3 H 1 1.481 . . . . . . . . . . . 4697 1 771 . 1 1 80 80 ALA H H 1 7.978 . . . . . . . . . . . 4697 1 772 . 1 1 80 80 ALA N N 15 130.171 . . . . . . . . . . . 4697 1 773 . 1 1 81 81 GLN C C 13 175.849 . . . . . . . . . . . 4697 1 774 . 1 1 81 81 GLN CA C 13 56.590 . . . . . . . . . . . 4697 1 775 . 1 1 81 81 GLN CB C 13 28.710 . . . . . . . . . . . 4697 1 776 . 1 1 81 81 GLN HB3 H 1 2.037 . . . . . . . . . . . 4697 1 777 . 1 1 81 81 GLN HB2 H 1 1.951 . . . . . . . . . . . 4697 1 778 . 1 1 81 81 GLN HE21 H 1 7.288 . . . . . . . . . . . 4697 1 779 . 1 1 81 81 GLN HE22 H 1 6.829 . . . . . . . . . . . 4697 1 780 . 1 1 81 81 GLN HG3 H 1 2.213 . . . . . . . . . . . 4697 1 781 . 1 1 81 81 GLN HG2 H 1 2.213 . . . . . . . . . . . 4697 1 782 . 1 1 81 81 GLN H H 1 7.351 . . . . . . . . . . . 4697 1 783 . 1 1 81 81 GLN N N 15 116.610 . . . . . . . . . . . 4697 1 784 . 1 1 81 81 GLN NE2 N 15 112.800 . . . . . . . . . . . 4697 1 785 . 1 1 82 82 GLY C C 13 173.509 . . . . . . . . . . . 4697 1 786 . 1 1 82 82 GLY HA3 H 1 4.070 . . . . . . . . . . . 4697 1 787 . 1 1 82 82 GLY HA2 H 1 3.579 . . . . . . . . . . . 4697 1 788 . 1 1 82 82 GLY H H 1 8.715 . . . . . . . . . . . 4697 1 789 . 1 1 82 82 GLY N N 15 112.211 . . . . . . . . . . . 4697 1 790 . 1 1 83 83 TYR C C 13 174.246 . . . . . . . . . . . 4697 1 791 . 1 1 83 83 TYR CA C 13 57.159 . . . . . . . . . . . 4697 1 792 . 1 1 83 83 TYR HA H 1 4.731 . . . . . . . . . . . 4697 1 793 . 1 1 83 83 TYR HB3 H 1 3.033 . . . . . . . . . . . 4697 1 794 . 1 1 83 83 TYR HB2 H 1 2.902 . . . . . . . . . . . 4697 1 795 . 1 1 83 83 TYR HD1 H 1 7.172 . . . . . . . . . . . 4697 1 796 . 1 1 83 83 TYR HD2 H 1 7.172 . . . . . . . . . . . 4697 1 797 . 1 1 83 83 TYR HE1 H 1 6.850 . . . . . . . . . . . 4697 1 798 . 1 1 83 83 TYR HE2 H 1 6.850 . . . . . . . . . . . 4697 1 799 . 1 1 83 83 TYR H H 1 7.341 . . . . . . . . . . . 4697 1 800 . 1 1 83 83 TYR N N 15 118.995 . . . . . . . . . . . 4697 1 801 . 1 1 84 84 GLU C C 13 176.154 . . . . . . . . . . . 4697 1 802 . 1 1 84 84 GLU CA C 13 54.664 . . . . . . . . . . . 4697 1 803 . 1 1 84 84 GLU CB C 13 32.161 . . . . . . . . . . . 4697 1 804 . 1 1 84 84 GLU HA H 1 5.470 . . . . . . . . . . . 4697 1 805 . 1 1 84 84 GLU HB3 H 1 2.051 . . . . . . . . . . . 4697 1 806 . 1 1 84 84 GLU HB2 H 1 2.208 . . . . . . . . . . . 4697 1 807 . 1 1 84 84 GLU HG3 H 1 2.531 . . . . . . . . . . . 4697 1 808 . 1 1 84 84 GLU HG2 H 1 2.414 . . . . . . . . . . . 4697 1 809 . 1 1 84 84 GLU H H 1 8.227 . . . . . . . . . . . 4697 1 810 . 1 1 84 84 GLU N N 15 119.417 . . . . . . . . . . . 4697 1 811 . 1 1 85 85 CYS C C 13 172.381 . . . . . . . . . . . 4697 1 812 . 1 1 85 85 CYS CA C 13 56.135 . . . . . . . . . . . 4697 1 813 . 1 1 85 85 CYS CB C 13 32.525 . . . . . . . . . . . 4697 1 814 . 1 1 85 85 CYS HA H 1 5.243 . . . . . . . . . . . 4697 1 815 . 1 1 85 85 CYS HB3 H 1 2.994 . . . . . . . . . . . 4697 1 816 . 1 1 85 85 CYS HB2 H 1 2.928 . . . . . . . . . . . 4697 1 817 . 1 1 85 85 CYS H H 1 8.703 . . . . . . . . . . . 4697 1 818 . 1 1 85 85 CYS N N 15 114.446 . . . . . . . . . . . 4697 1 819 . 1 1 86 86 GLY C C 13 174.131 . . . . . . . . . . . 4697 1 820 . 1 1 86 86 GLY CA C 13 44.149 . . . . . . . . . . . 4697 1 821 . 1 1 86 86 GLY HA3 H 1 5.440 . . . . . . . . . . . 4697 1 822 . 1 1 86 86 GLY HA2 H 1 3.395 . . . . . . . . . . . 4697 1 823 . 1 1 86 86 GLY H H 1 9.014 . . . . . . . . . . . 4697 1 824 . 1 1 86 86 GLY N N 15 110.196 . . . . . . . . . . . 4697 1 825 . 1 1 87 87 LEU C C 13 175.012 . . . . . . . . . . . 4697 1 826 . 1 1 87 87 LEU CA C 13 54.337 . . . . . . . . . . . 4697 1 827 . 1 1 87 87 LEU CB C 13 46.739 . . . . . . . . . . . 4697 1 828 . 1 1 87 87 LEU HA H 1 5.262 . . . . . . . . . . . 4697 1 829 . 1 1 87 87 LEU HB3 H 1 1.838 . . . . . . . . . . . 4697 1 830 . 1 1 87 87 LEU HB2 H 1 1.838 . . . . . . . . . . . 4697 1 831 . 1 1 87 87 LEU HD11 H 1 0.701 . . . . . . . . . . . 4697 1 832 . 1 1 87 87 LEU HD12 H 1 0.701 . . . . . . . . . . . 4697 1 833 . 1 1 87 87 LEU HD13 H 1 0.701 . . . . . . . . . . . 4697 1 834 . 1 1 87 87 LEU HD21 H 1 0.701 . . . . . . . . . . . 4697 1 835 . 1 1 87 87 LEU HD22 H 1 0.701 . . . . . . . . . . . 4697 1 836 . 1 1 87 87 LEU HD23 H 1 0.701 . . . . . . . . . . . 4697 1 837 . 1 1 87 87 LEU HG H 1 1.770 . . . . . . . . . . . 4697 1 838 . 1 1 87 87 LEU H H 1 9.095 . . . . . . . . . . . 4697 1 839 . 1 1 87 87 LEU N N 15 126.246 . . . . . . . . . . . 4697 1 840 . 1 1 88 88 THR C C 13 173.784 . . . . . . . . . . . 4697 1 841 . 1 1 88 88 THR CA C 13 59.287 . . . . . . . . . . . 4697 1 842 . 1 1 88 88 THR HA H 1 4.776 . . . . . . . . . . . 4697 1 843 . 1 1 88 88 THR HB H 1 4.375 . . . . . . . . . . . 4697 1 844 . 1 1 88 88 THR HG21 H 1 1.154 . . . . . . . . . . . 4697 1 845 . 1 1 88 88 THR HG22 H 1 1.154 . . . . . . . . . . . 4697 1 846 . 1 1 88 88 THR HG23 H 1 1.154 . . . . . . . . . . . 4697 1 847 . 1 1 88 88 THR H H 1 8.256 . . . . . . . . . . . 4697 1 848 . 1 1 88 88 THR N N 15 112.415 . . . . . . . . . . . 4697 1 849 . 1 1 89 89 ILE C C 13 175.677 . . . . . . . . . . . 4697 1 850 . 1 1 89 89 ILE CA C 13 60.302 . . . . . . . . . . . 4697 1 851 . 1 1 89 89 ILE CB C 13 39.097 . . . . . . . . . . . 4697 1 852 . 1 1 89 89 ILE HA H 1 4.788 . . . . . . . . . . . 4697 1 853 . 1 1 89 89 ILE HB H 1 1.954 . . . . . . . . . . . 4697 1 854 . 1 1 89 89 ILE HD11 H 1 0.821 . . . . . . . . . . . 4697 1 855 . 1 1 89 89 ILE HD12 H 1 0.821 . . . . . . . . . . . 4697 1 856 . 1 1 89 89 ILE HD13 H 1 0.821 . . . . . . . . . . . 4697 1 857 . 1 1 89 89 ILE HG13 H 1 1.220 . . . . . . . . . . . 4697 1 858 . 1 1 89 89 ILE HG12 H 1 1.220 . . . . . . . . . . . 4697 1 859 . 1 1 89 89 ILE HG21 H 1 0.940 . . . . . . . . . . . 4697 1 860 . 1 1 89 89 ILE HG22 H 1 0.940 . . . . . . . . . . . 4697 1 861 . 1 1 89 89 ILE HG23 H 1 0.940 . . . . . . . . . . . 4697 1 862 . 1 1 89 89 ILE H H 1 9.495 . . . . . . . . . . . 4697 1 863 . 1 1 89 89 ILE N N 15 125.716 . . . . . . . . . . . 4697 1 864 . 1 1 90 90 LYS C C 13 177.165 . . . . . . . . . . . 4697 1 865 . 1 1 90 90 LYS CA C 13 58.463 . . . . . . . . . . . 4697 1 866 . 1 1 90 90 LYS CB C 13 32.943 . . . . . . . . . . . 4697 1 867 . 1 1 90 90 LYS HA H 1 3.963 . . . . . . . . . . . 4697 1 868 . 1 1 90 90 LYS HB3 H 1 1.839 . . . . . . . . . . . 4697 1 869 . 1 1 90 90 LYS HB2 H 1 2.075 . . . . . . . . . . . 4697 1 870 . 1 1 90 90 LYS HD3 H 1 1.674 . . . . . . . . . . . 4697 1 871 . 1 1 90 90 LYS HD2 H 1 1.674 . . . . . . . . . . . 4697 1 872 . 1 1 90 90 LYS HE3 H 1 2.972 . . . . . . . . . . . 4697 1 873 . 1 1 90 90 LYS HE2 H 1 2.972 . . . . . . . . . . . 4697 1 874 . 1 1 90 90 LYS HG3 H 1 1.553 . . . . . . . . . . . 4697 1 875 . 1 1 90 90 LYS HG2 H 1 1.347 . . . . . . . . . . . 4697 1 876 . 1 1 90 90 LYS H H 1 8.602 . . . . . . . . . . . 4697 1 877 . 1 1 90 90 LYS N N 15 128.597 . . . . . . . . . . . 4697 1 878 . 1 1 91 91 ASN C C 13 173.771 . . . . . . . . . . . 4697 1 879 . 1 1 91 91 ASN CA C 13 54.770 . . . . . . . . . . . 4697 1 880 . 1 1 91 91 ASN CB C 13 37.977 . . . . . . . . . . . 4697 1 881 . 1 1 91 91 ASN HA H 1 4.393 . . . . . . . . . . . 4697 1 882 . 1 1 91 91 ASN HB3 H 1 3.206 . . . . . . . . . . . 4697 1 883 . 1 1 91 91 ASN HB2 H 1 2.988 . . . . . . . . . . . 4697 1 884 . 1 1 91 91 ASN HD21 H 1 7.612 . . . . . . . . . . . 4697 1 885 . 1 1 91 91 ASN HD22 H 1 6.919 . . . . . . . . . . . 4697 1 886 . 1 1 91 91 ASN H H 1 9.179 . . . . . . . . . . . 4697 1 887 . 1 1 91 91 ASN N N 15 121.685 . . . . . . . . . . . 4697 1 888 . 1 1 91 91 ASN ND2 N 15 114.247 . . . . . . . . . . . 4697 1 889 . 1 1 92 92 PHE C C 13 173.288 . . . . . . . . . . . 4697 1 890 . 1 1 92 92 PHE CA C 13 59.916 . . . . . . . . . . . 4697 1 891 . 1 1 92 92 PHE CB C 13 42.194 . . . . . . . . . . . 4697 1 892 . 1 1 92 92 PHE HA H 1 4.350 . . . . . . . . . . . 4697 1 893 . 1 1 92 92 PHE HB3 H 1 2.283 . . . . . . . . . . . 4697 1 894 . 1 1 92 92 PHE HB2 H 1 2.165 . . . . . . . . . . . 4697 1 895 . 1 1 92 92 PHE HD1 H 1 6.543 . . . . . . . . . . . 4697 1 896 . 1 1 92 92 PHE HD2 H 1 6.543 . . . . . . . . . . . 4697 1 897 . 1 1 92 92 PHE HE1 H 1 7.050 . . . . . . . . . . . 4697 1 898 . 1 1 92 92 PHE HE2 H 1 7.050 . . . . . . . . . . . 4697 1 899 . 1 1 92 92 PHE H H 1 7.494 . . . . . . . . . . . 4697 1 900 . 1 1 92 92 PHE HZ H 1 7.178 . . . . . . . . . . . 4697 1 901 . 1 1 92 92 PHE N N 15 119.694 . . . . . . . . . . . 4697 1 902 . 1 1 93 93 ASN C C 13 175.173 . . . . . . . . . . . 4697 1 903 . 1 1 93 93 ASN CB C 13 41.035 . . . . . . . . . . . 4697 1 904 . 1 1 93 93 ASN HA H 1 4.828 . . . . . . . . . . . 4697 1 905 . 1 1 93 93 ASN HB3 H 1 2.737 . . . . . . . . . . . 4697 1 906 . 1 1 93 93 ASN HB2 H 1 2.481 . . . . . . . . . . . 4697 1 907 . 1 1 93 93 ASN H H 1 8.121 . . . . . . . . . . . 4697 1 908 . 1 1 93 93 ASN N N 15 123.401 . . . . . . . . . . . 4697 1 909 . 1 1 94 94 ASP C C 13 172.712 . . . . . . . . . . . 4697 1 910 . 1 1 94 94 ASP CA C 13 53.537 . . . . . . . . . . . 4697 1 911 . 1 1 94 94 ASP CB C 13 39.335 . . . . . . . . . . . 4697 1 912 . 1 1 94 94 ASP HA H 1 4.602 . . . . . . . . . . . 4697 1 913 . 1 1 94 94 ASP HB3 H 1 2.550 . . . . . . . . . . . 4697 1 914 . 1 1 94 94 ASP HB2 H 1 1.957 . . . . . . . . . . . 4697 1 915 . 1 1 94 94 ASP H H 1 5.430 . . . . . . . . . . . 4697 1 916 . 1 1 94 94 ASP N N 15 123.796 . . . . . . . . . . . 4697 1 917 . 1 1 95 95 ILE C C 13 174.171 . . . . . . . . . . . 4697 1 918 . 1 1 95 95 ILE CA C 13 60.404 . . . . . . . . . . . 4697 1 919 . 1 1 95 95 ILE CB C 13 41.056 . . . . . . . . . . . 4697 1 920 . 1 1 95 95 ILE HA H 1 4.022 . . . . . . . . . . . 4697 1 921 . 1 1 95 95 ILE HB H 1 1.298 . . . . . . . . . . . 4697 1 922 . 1 1 95 95 ILE HG21 H 1 0.906 . . . . . . . . . . . 4697 1 923 . 1 1 95 95 ILE HG22 H 1 0.906 . . . . . . . . . . . 4697 1 924 . 1 1 95 95 ILE HG23 H 1 0.906 . . . . . . . . . . . 4697 1 925 . 1 1 95 95 ILE H H 1 7.049 . . . . . . . . . . . 4697 1 926 . 1 1 95 95 ILE N N 15 122.135 . . . . . . . . . . . 4697 1 927 . 1 1 96 96 LYS C C 13 175.199 . . . . . . . . . . . 4697 1 928 . 1 1 96 96 LYS CA C 13 54.750 . . . . . . . . . . . 4697 1 929 . 1 1 96 96 LYS CB C 13 36.385 . . . . . . . . . . . 4697 1 930 . 1 1 96 96 LYS HA H 1 4.580 . . . . . . . . . . . 4697 1 931 . 1 1 96 96 LYS HB3 H 1 1.765 . . . . . . . . . . . 4697 1 932 . 1 1 96 96 LYS HB2 H 1 1.691 . . . . . . . . . . . 4697 1 933 . 1 1 96 96 LYS HG3 H 1 1.304 . . . . . . . . . . . 4697 1 934 . 1 1 96 96 LYS HG2 H 1 1.316 . . . . . . . . . . . 4697 1 935 . 1 1 96 96 LYS H H 1 9.132 . . . . . . . . . . . 4697 1 936 . 1 1 96 96 LYS N N 15 128.986 . . . . . . . . . . . 4697 1 937 . 1 1 97 97 GLU C C 13 177.767 . . . . . . . . . . . 4697 1 938 . 1 1 97 97 GLU CA C 13 58.885 . . . . . . . . . . . 4697 1 939 . 1 1 97 97 GLU CB C 13 28.611 . . . . . . . . . . . 4697 1 940 . 1 1 97 97 GLU HA H 1 3.560 . . . . . . . . . . . 4697 1 941 . 1 1 97 97 GLU H H 1 8.718 . . . . . . . . . . . 4697 1 942 . 1 1 97 97 GLU N N 15 122.356 . . . . . . . . . . . 4697 1 943 . 1 1 98 98 GLY C C 13 174.951 . . . . . . . . . . . 4697 1 944 . 1 1 98 98 GLY CA C 13 44.924 . . . . . . . . . . . 4697 1 945 . 1 1 98 98 GLY HA3 H 1 4.482 . . . . . . . . . . . 4697 1 946 . 1 1 98 98 GLY HA2 H 1 3.695 . . . . . . . . . . . 4697 1 947 . 1 1 98 98 GLY H H 1 9.061 . . . . . . . . . . . 4697 1 948 . 1 1 98 98 GLY N N 15 116.053 . . . . . . . . . . . 4697 1 949 . 1 1 99 99 ASP C C 13 174.325 . . . . . . . . . . . 4697 1 950 . 1 1 99 99 ASP CA C 13 55.866 . . . . . . . . . . . 4697 1 951 . 1 1 99 99 ASP CB C 13 41.406 . . . . . . . . . . . 4697 1 952 . 1 1 99 99 ASP HA H 1 4.789 . . . . . . . . . . . 4697 1 953 . 1 1 99 99 ASP HB3 H 1 2.676 . . . . . . . . . . . 4697 1 954 . 1 1 99 99 ASP HB2 H 1 2.547 . . . . . . . . . . . 4697 1 955 . 1 1 99 99 ASP H H 1 8.054 . . . . . . . . . . . 4697 1 956 . 1 1 99 99 ASP N N 15 124.856 . . . . . . . . . . . 4697 1 957 . 1 1 100 100 VAL C C 13 174.666 . . . . . . . . . . . 4697 1 958 . 1 1 100 100 VAL CA C 13 61.317 . . . . . . . . . . . 4697 1 959 . 1 1 100 100 VAL CB C 13 35.219 . . . . . . . . . . . 4697 1 960 . 1 1 100 100 VAL HA H 1 4.812 . . . . . . . . . . . 4697 1 961 . 1 1 100 100 VAL HB H 1 1.962 . . . . . . . . . . . 4697 1 962 . 1 1 100 100 VAL HG11 H 1 1.045 . . . . . . . . . . . 4697 1 963 . 1 1 100 100 VAL HG12 H 1 1.045 . . . . . . . . . . . 4697 1 964 . 1 1 100 100 VAL HG13 H 1 1.045 . . . . . . . . . . . 4697 1 965 . 1 1 100 100 VAL HG21 H 1 0.935 . . . . . . . . . . . 4697 1 966 . 1 1 100 100 VAL HG22 H 1 0.935 . . . . . . . . . . . 4697 1 967 . 1 1 100 100 VAL HG23 H 1 0.935 . . . . . . . . . . . 4697 1 968 . 1 1 100 100 VAL H H 1 8.950 . . . . . . . . . . . 4697 1 969 . 1 1 100 100 VAL N N 15 121.827 . . . . . . . . . . . 4697 1 970 . 1 1 101 101 ILE C C 13 174.690 . . . . . . . . . . . 4697 1 971 . 1 1 101 101 ILE CA C 13 59.174 . . . . . . . . . . . 4697 1 972 . 1 1 101 101 ILE CB C 13 40.554 . . . . . . . . . . . 4697 1 973 . 1 1 101 101 ILE HA H 1 4.923 . . . . . . . . . . . 4697 1 974 . 1 1 101 101 ILE HB H 1 1.638 . . . . . . . . . . . 4697 1 975 . 1 1 101 101 ILE HD11 H 1 0.686 . . . . . . . . . . . 4697 1 976 . 1 1 101 101 ILE HD12 H 1 0.686 . . . . . . . . . . . 4697 1 977 . 1 1 101 101 ILE HD13 H 1 0.686 . . . . . . . . . . . 4697 1 978 . 1 1 101 101 ILE HG13 H 1 0.978 . . . . . . . . . . . 4697 1 979 . 1 1 101 101 ILE HG12 H 1 1.449 . . . . . . . . . . . 4697 1 980 . 1 1 101 101 ILE HG21 H 1 0.712 . . . . . . . . . . . 4697 1 981 . 1 1 101 101 ILE HG22 H 1 0.712 . . . . . . . . . . . 4697 1 982 . 1 1 101 101 ILE HG23 H 1 0.712 . . . . . . . . . . . 4697 1 983 . 1 1 101 101 ILE H H 1 9.233 . . . . . . . . . . . 4697 1 984 . 1 1 101 101 ILE N N 15 127.069 . . . . . . . . . . . 4697 1 985 . 1 1 102 102 GLU C C 13 174.377 . . . . . . . . . . . 4697 1 986 . 1 1 102 102 GLU CA C 13 54.873 . . . . . . . . . . . 4697 1 987 . 1 1 102 102 GLU HA H 1 5.091 . . . . . . . . . . . 4697 1 988 . 1 1 102 102 GLU HB3 H 1 2.160 . . . . . . . . . . . 4697 1 989 . 1 1 102 102 GLU HB2 H 1 1.968 . . . . . . . . . . . 4697 1 990 . 1 1 102 102 GLU HG3 H 1 2.334 . . . . . . . . . . . 4697 1 991 . 1 1 102 102 GLU HG2 H 1 2.373 . . . . . . . . . . . 4697 1 992 . 1 1 102 102 GLU H H 1 9.191 . . . . . . . . . . . 4697 1 993 . 1 1 102 102 GLU N N 15 128.905 . . . . . . . . . . . 4697 1 994 . 1 1 103 103 ALA C C 13 176.612 . . . . . . . . . . . 4697 1 995 . 1 1 103 103 ALA CA C 13 50.157 . . . . . . . . . . . 4697 1 996 . 1 1 103 103 ALA CB C 13 21.082 . . . . . . . . . . . 4697 1 997 . 1 1 103 103 ALA HA H 1 5.665 . . . . . . . . . . . 4697 1 998 . 1 1 103 103 ALA HB1 H 1 1.404 . . . . . . . . . . . 4697 1 999 . 1 1 103 103 ALA HB2 H 1 1.404 . . . . . . . . . . . 4697 1 1000 . 1 1 103 103 ALA HB3 H 1 1.404 . . . . . . . . . . . 4697 1 1001 . 1 1 103 103 ALA H H 1 8.820 . . . . . . . . . . . 4697 1 1002 . 1 1 103 103 ALA N N 15 130.868 . . . . . . . . . . . 4697 1 1003 . 1 1 104 104 TYR C C 13 171.793 . . . . . . . . . . . 4697 1 1004 . 1 1 104 104 TYR CA C 13 55.922 . . . . . . . . . . . 4697 1 1005 . 1 1 104 104 TYR HA H 1 5.611 . . . . . . . . . . . 4697 1 1006 . 1 1 104 104 TYR HB3 H 1 2.782 . . . . . . . . . . . 4697 1 1007 . 1 1 104 104 TYR HB2 H 1 2.716 . . . . . . . . . . . 4697 1 1008 . 1 1 104 104 TYR HD1 H 1 6.666 . . . . . . . . . . . 4697 1 1009 . 1 1 104 104 TYR HD2 H 1 6.666 . . . . . . . . . . . 4697 1 1010 . 1 1 104 104 TYR HE1 H 1 6.440 . . . . . . . . . . . 4697 1 1011 . 1 1 104 104 TYR HE2 H 1 6.440 . . . . . . . . . . . 4697 1 1012 . 1 1 104 104 TYR H H 1 9.310 . . . . . . . . . . . 4697 1 1013 . 1 1 104 104 TYR N N 15 122.216 . . . . . . . . . . . 4697 1 1014 . 1 1 105 105 VAL C C 13 174.800 . . . . . . . . . . . 4697 1 1015 . 1 1 105 105 VAL CA C 13 58.825 . . . . . . . . . . . 4697 1 1016 . 1 1 105 105 VAL HA H 1 4.631 . . . . . . . . . . . 4697 1 1017 . 1 1 105 105 VAL HB H 1 2.082 . . . . . . . . . . . 4697 1 1018 . 1 1 105 105 VAL HG11 H 1 0.847 . . . . . . . . . . . 4697 1 1019 . 1 1 105 105 VAL HG12 H 1 0.847 . . . . . . . . . . . 4697 1 1020 . 1 1 105 105 VAL HG13 H 1 0.847 . . . . . . . . . . . 4697 1 1021 . 1 1 105 105 VAL HG21 H 1 0.847 . . . . . . . . . . . 4697 1 1022 . 1 1 105 105 VAL HG22 H 1 0.847 . . . . . . . . . . . 4697 1 1023 . 1 1 105 105 VAL HG23 H 1 0.847 . . . . . . . . . . . 4697 1 1024 . 1 1 105 105 VAL H H 1 8.743 . . . . . . . . . . . 4697 1 1025 . 1 1 105 105 VAL N N 15 113.745 . . . . . . . . . . . 4697 1 1026 . 1 1 106 106 MET C C 13 176.095 . . . . . . . . . . . 4697 1 1027 . 1 1 106 106 MET CA C 13 53.431 . . . . . . . . . . . 4697 1 1028 . 1 1 106 106 MET HA H 1 5.264 . . . . . . . . . . . 4697 1 1029 . 1 1 106 106 MET HB3 H 1 1.913 . . . . . . . . . . . 4697 1 1030 . 1 1 106 106 MET HB2 H 1 1.729 . . . . . . . . . . . 4697 1 1031 . 1 1 106 106 MET HG3 H 1 2.572 . . . . . . . . . . . 4697 1 1032 . 1 1 106 106 MET HG2 H 1 2.398 . . . . . . . . . . . 4697 1 1033 . 1 1 106 106 MET H H 1 8.427 . . . . . . . . . . . 4697 1 1034 . 1 1 106 106 MET N N 15 120.919 . . . . . . . . . . . 4697 1 1035 . 1 1 107 107 GLN C C 13 174.671 . . . . . . . . . . . 4697 1 1036 . 1 1 107 107 GLN CA C 13 54.463 . . . . . . . . . . . 4697 1 1037 . 1 1 107 107 GLN HA H 1 4.758 . . . . . . . . . . . 4697 1 1038 . 1 1 107 107 GLN HB3 H 1 2.047 . . . . . . . . . . . 4697 1 1039 . 1 1 107 107 GLN HB2 H 1 1.960 . . . . . . . . . . . 4697 1 1040 . 1 1 107 107 GLN HE21 H 1 7.498 . . . . . . . . . . . 4697 1 1041 . 1 1 107 107 GLN HE22 H 1 6.759 . . . . . . . . . . . 4697 1 1042 . 1 1 107 107 GLN HG3 H 1 2.282 . . . . . . . . . . . 4697 1 1043 . 1 1 107 107 GLN HG2 H 1 2.282 . . . . . . . . . . . 4697 1 1044 . 1 1 107 107 GLN H H 1 9.058 . . . . . . . . . . . 4697 1 1045 . 1 1 107 107 GLN N N 15 124.540 . . . . . . . . . . . 4697 1 1046 . 1 1 107 107 GLN NE2 N 15 112.830 . . . . . . . . . . . 4697 1 1047 . 1 1 108 108 GLU C C 13 176.460 . . . . . . . . . . . 4697 1 1048 . 1 1 108 108 GLU CA C 13 56.902 . . . . . . . . . . . 4697 1 1049 . 1 1 108 108 GLU HA H 1 4.213 . . . . . . . . . . . 4697 1 1050 . 1 1 108 108 GLU HB3 H 1 1.871 . . . . . . . . . . . 4697 1 1051 . 1 1 108 108 GLU HB2 H 1 1.871 . . . . . . . . . . . 4697 1 1052 . 1 1 108 108 GLU HG3 H 1 2.131 . . . . . . . . . . . 4697 1 1053 . 1 1 108 108 GLU HG2 H 1 2.131 . . . . . . . . . . . 4697 1 1054 . 1 1 108 108 GLU H H 1 8.834 . . . . . . . . . . . 4697 1 1055 . 1 1 108 108 GLU N N 15 127.069 . . . . . . . . . . . 4697 1 1056 . 1 1 109 109 VAL C C 13 175.377 . . . . . . . . . . . 4697 1 1057 . 1 1 109 109 VAL CA C 13 62.317 . . . . . . . . . . . 4697 1 1058 . 1 1 109 109 VAL CB C 13 32.963 . . . . . . . . . . . 4697 1 1059 . 1 1 109 109 VAL CG1 C 13 21.177 . . . . . . . . . . . 4697 1 1060 . 1 1 109 109 VAL CG2 C 13 20.822 . . . . . . . . . . . 4697 1 1061 . 1 1 109 109 VAL HA H 1 3.943 . . . . . . . . . . . 4697 1 1062 . 1 1 109 109 VAL HB H 1 1.848 . . . . . . . . . . . 4697 1 1063 . 1 1 109 109 VAL HG11 H 1 0.821 . . . . . . . . . . . 4697 1 1064 . 1 1 109 109 VAL HG12 H 1 0.821 . . . . . . . . . . . 4697 1 1065 . 1 1 109 109 VAL HG13 H 1 0.821 . . . . . . . . . . . 4697 1 1066 . 1 1 109 109 VAL HG21 H 1 0.771 . . . . . . . . . . . 4697 1 1067 . 1 1 109 109 VAL HG22 H 1 0.771 . . . . . . . . . . . 4697 1 1068 . 1 1 109 109 VAL HG23 H 1 0.771 . . . . . . . . . . . 4697 1 1069 . 1 1 109 109 VAL H H 1 8.233 . . . . . . . . . . . 4697 1 1070 . 1 1 109 109 VAL N N 15 125.558 . . . . . . . . . . . 4697 1 1071 . 1 1 110 110 ALA C C 13 177.200 . . . . . . . . . . . 4697 1 1072 . 1 1 110 110 ALA CA C 13 52.295 . . . . . . . . . . . 4697 1 1073 . 1 1 110 110 ALA CB C 13 19.291 . . . . . . . . . . . 4697 1 1074 . 1 1 110 110 ALA HA H 1 4.303 . . . . . . . . . . . 4697 1 1075 . 1 1 110 110 ALA HB1 H 1 1.328 . . . . . . . . . . . 4697 1 1076 . 1 1 110 110 ALA HB2 H 1 1.328 . . . . . . . . . . . 4697 1 1077 . 1 1 110 110 ALA HB3 H 1 1.328 . . . . . . . . . . . 4697 1 1078 . 1 1 110 110 ALA H H 1 8.272 . . . . . . . . . . . 4697 1 1079 . 1 1 110 110 ALA N N 15 129.538 . . . . . . . . . . . 4697 1 1080 . 1 1 111 111 ARG C C 13 174.912 . . . . . . . . . . . 4697 1 1081 . 1 1 111 111 ARG CA C 13 55.855 . . . . . . . . . . . 4697 1 1082 . 1 1 111 111 ARG CB C 13 31.112 . . . . . . . . . . . 4697 1 1083 . 1 1 111 111 ARG HA H 1 4.301 . . . . . . . . . . . 4697 1 1084 . 1 1 111 111 ARG HB3 H 1 1.829 . . . . . . . . . . . 4697 1 1085 . 1 1 111 111 ARG HB2 H 1 1.710 . . . . . . . . . . . 4697 1 1086 . 1 1 111 111 ARG HD3 H 1 3.157 . . . . . . . . . . . 4697 1 1087 . 1 1 111 111 ARG HD2 H 1 3.157 . . . . . . . . . . . 4697 1 1088 . 1 1 111 111 ARG HE H 1 7.192 . . . . . . . . . . . 4697 1 1089 . 1 1 111 111 ARG HG3 H 1 1.591 . . . . . . . . . . . 4697 1 1090 . 1 1 111 111 ARG HG2 H 1 1.591 . . . . . . . . . . . 4697 1 1091 . 1 1 111 111 ARG H H 1 8.209 . . . . . . . . . . . 4697 1 1092 . 1 1 111 111 ARG N N 15 123.016 . . . . . . . . . . . 4697 1 1093 . 1 1 111 111 ARG NE N 15 126.092 . . . . . . . . . . . 4697 1 1094 . 1 1 112 112 ALA CA C 13 53.749 . . . . . . . . . . . 4697 1 1095 . 1 1 112 112 ALA CB C 13 20.251 . . . . . . . . . . . 4697 1 1096 . 1 1 112 112 ALA HA H 1 4.092 . . . . . . . . . . . 4697 1 1097 . 1 1 112 112 ALA HB1 H 1 1.294 . . . . . . . . . . . 4697 1 1098 . 1 1 112 112 ALA HB2 H 1 1.294 . . . . . . . . . . . 4697 1 1099 . 1 1 112 112 ALA HB3 H 1 1.294 . . . . . . . . . . . 4697 1 1100 . 1 1 112 112 ALA H H 1 7.872 . . . . . . . . . . . 4697 1 1101 . 1 1 112 112 ALA N N 15 132.223 . . . . . . . . . . . 4697 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Entry_ID 4697 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions _Heteronucl_NOE_list.Spectrometer_frequency_1H . _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 4697 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 15 15 GLU . . . . . . 15 15 GLU . . . 0.4356 0.0456 . . . . . . . . . . 4697 1 2 . . . 17 17 LYS . . . . . . 17 17 LYS . . . 0.6498 0.0509 . . . . . . . . . . 4697 1 3 . . . 18 18 VAL . . . . . . 18 18 VAL . . . 0.7116 0.0390 . . . . . . . . . . 4697 1 4 . . . 19 19 ILE . . . . . . 19 19 ILE . . . 0.7602 0.0765 . . . . . . . . . . 4697 1 5 . . . 20 20 GLY . . . . . . 20 20 GLY . . . 0.7431 0.0328 . . . . . . . . . . 4697 1 6 . . . 21 21 GLN . . . . . . 21 21 GLN . . . 0.7381 0.0346 . . . . . . . . . . 4697 1 7 . . . 22 22 ALA . . . . . . 22 22 ALA . . . 0.7518 0.0406 . . . . . . . . . . 4697 1 8 . . . 23 23 GLU . . . . . . 23 23 GLU . . . 0.7307 0.0368 . . . . . . . . . . 4697 1 9 . . . 24 24 VAL . . . . . . 24 24 VAL . . . 0.7523 0.0321 . . . . . . . . . . 4697 1 10 . . . 25 25 ARG . . . . . . 25 25 ARG . . . 0.7281 0.0590 . . . . . . . . . . 4697 1 11 . . . 26 26 GLN . . . . . . 26 26 GLN . . . 0.7168 0.0296 . . . . . . . . . . 4697 1 12 . . . 27 27 THR . . . . . . 27 27 THR . . . 0.6923 0.0278 . . . . . . . . . . 4697 1 13 . . . 28 28 PHE . . . . . . 28 28 PHE . . . 0.7114 0.0378 . . . . . . . . . . 4697 1 14 . . . 29 29 LYS . . . . . . 29 29 LYS . . . 0.6571 0.0277 . . . . . . . . . . 4697 1 15 . . . 30 30 VAL . . . . . . 30 30 VAL . . . 0.5758 0.0326 . . . . . . . . . . 4697 1 16 . . . 31 31 SER . . . . . . 31 31 SER . . . 0.6158 0.0405 . . . . . . . . . . 4697 1 17 . . . 32 32 LYS . . . . . . 32 32 LYS . . . 0.4763 0.0309 . . . . . . . . . . 4697 1 18 . . . 34 34 GLY . . . . . . 34 34 GLY . . . 0.4829 0.0245 . . . . . . . . . . 4697 1 19 . . . 35 35 THR . . . . . . 35 35 THR . . . 0.6217 0.0274 . . . . . . . . . . 4697 1 20 . . . 36 36 ILE . . . . . . 36 36 ILE . . . 0.7981 0.0470 . . . . . . . . . . 4697 1 21 . . . 37 37 ALA . . . . . . 37 37 ALA . . . 0.7798 0.0432 . . . . . . . . . . 4697 1 22 . . . 38 38 GLY . . . . . . 38 38 GLY . . . 0.7891 0.0423 . . . . . . . . . . 4697 1 23 . . . 39 39 CYS . . . . . . 39 39 CYS . . . 0.7666 0.0473 . . . . . . . . . . 4697 1 24 . . . 40 40 TYR . . . . . . 40 40 TYR . . . 0.7599 0.0423 . . . . . . . . . . 4697 1 25 . . . 41 41 VAL . . . . . . 41 41 VAL . . . 0.7845 0.0402 . . . . . . . . . . 4697 1 26 . . . 42 42 THR . . . . . . 42 42 THR . . . 0.7589 0.0496 . . . . . . . . . . 4697 1 27 . . . 43 43 ASP . . . . . . 43 43 ASP . . . 0.7051 0.0294 . . . . . . . . . . 4697 1 28 . . . 44 44 GLY . . . . . . 44 44 GLY . . . 0.7043 0.0275 . . . . . . . . . . 4697 1 29 . . . 45 45 LYS . . . . . . 45 45 LYS . . . 0.7610 0.0435 . . . . . . . . . . 4697 1 30 . . . 46 46 ILE . . . . . . 46 46 ILE . . . 0.6988 0.0411 . . . . . . . . . . 4697 1 31 . . . 47 47 THR . . . . . . 47 47 THR . . . 0.6956 0.0429 . . . . . . . . . . 4697 1 32 . . . 48 48 ARG . . . . . . 48 48 ARG . . . 0.7153 0.0299 . . . . . . . . . . 4697 1 33 . . . 49 49 ASP . . . . . . 49 49 ASP . . . 0.6500 0.0331 . . . . . . . . . . 4697 1 34 . . . 50 50 SER . . . . . . 50 50 SER . . . 0.6331 0.0231 . . . . . . . . . . 4697 1 35 . . . 51 51 LYS . . . . . . 51 51 LYS . . . 0.7176 0.0396 . . . . . . . . . . 4697 1 36 . . . 52 52 VAL . . . . . . 52 52 VAL . . . 0.7079 0.0396 . . . . . . . . . . 4697 1 37 . . . 53 53 ARG . . . . . . 53 53 ARG . . . 0.7007 0.0431 . . . . . . . . . . 4697 1 38 . . . 54 54 LEU . . . . . . 54 54 LEU . . . 0.9070 0.0447 . . . . . . . . . . 4697 1 39 . . . 55 55 ILE . . . . . . 55 55 ILE . . . 0.7511 0.0433 . . . . . . . . . . 4697 1 40 . . . 56 56 ARG . . . . . . 56 56 ARG . . . 0.7730 0.0433 . . . . . . . . . . 4697 1 41 . . . 57 57 GLN . . . . . . 57 57 GLN . . . 0.7331 0.0311 . . . . . . . . . . 4697 1 42 . . . 58 58 GLY . . . . . . 58 58 GLY . . . 0.6997 0.0274 . . . . . . . . . . 4697 1 43 . . . 59 59 ILE . . . . . . 59 59 ILE . . . 0.7255 0.0269 . . . . . . . . . . 4697 1 44 . . . 60 60 VAL . . . . . . 60 60 VAL . . . 0.7437 0.0283 . . . . . . . . . . 4697 1 45 . . . 61 61 VAL . . . . . . 61 61 VAL . . . 0.7998 0.0489 . . . . . . . . . . 4697 1 46 . . . 62 62 TYR . . . . . . 62 62 TYR . . . 0.9475 0.0308 . . . . . . . . . . 4697 1 47 . . . 63 63 GLU . . . . . . 63 63 GLU . . . 0.6561 0.0314 . . . . . . . . . . 4697 1 48 . . . 64 64 GLY . . . . . . 64 64 GLY . . . 0.7099 0.0283 . . . . . . . . . . 4697 1 49 . . . 65 65 GLU . . . . . . 65 65 GLU . . . 0.5926 0.0260 . . . . . . . . . . 4697 1 50 . . . 67 67 ASP . . . . . . 67 67 ASP . . . 0.5379 0.0290 . . . . . . . . . . 4697 1 51 . . . 68 68 SER . . . . . . 68 68 SER . . . 0.5811 0.0243 . . . . . . . . . . 4697 1 52 . . . 69 69 LEU . . . . . . 69 69 LEU . . . 0.7007 0.0313 . . . . . . . . . . 4697 1 53 . . . 71 71 ARG . . . . . . 71 71 ARG . . . 0.7136 0.0370 . . . . . . . . . . 4697 1 54 . . . 72 72 TYR . . . . . . 72 72 TYR . . . 0.6751 0.0354 . . . . . . . . . . 4697 1 55 . . . 74 74 ASP . . . . . . 74 74 ASP . . . 0.6891 0.0267 . . . . . . . . . . 4697 1 56 . . . 76 76 VAL . . . . . . 76 76 VAL . . . 0.7341 0.0383 . . . . . . . . . . 4697 1 57 . . . 77 77 ARG . . . . . . 77 77 ARG . . . 0.7279 0.0360 . . . . . . . . . . 4697 1 58 . . . 78 78 GLU . . . . . . 78 78 GLU . . . 0.5609 0.0185 . . . . . . . . . . 4697 1 59 . . . 79 79 VAL . . . . . . 79 79 VAL . . . 0.7497 0.0426 . . . . . . . . . . 4697 1 60 . . . 80 80 ALA . . . . . . 80 80 ALA . . . 0.6851 0.0326 . . . . . . . . . . 4697 1 61 . . . 81 81 GLN . . . . . . 81 81 GLN . . . 0.6846 0.0244 . . . . . . . . . . 4697 1 62 . . . 82 82 GLY . . . . . . 82 82 GLY . . . 0.7440 0.0468 . . . . . . . . . . 4697 1 63 . . . 83 83 TYR . . . . . . 83 83 TYR . . . 0.6909 0.0331 . . . . . . . . . . 4697 1 64 . . . 84 84 GLU . . . . . . 84 84 GLU . . . 0.6566 0.0353 . . . . . . . . . . 4697 1 65 . . . 85 85 CYS . . . . . . 85 85 CYS . . . 0.7161 0.0298 . . . . . . . . . . 4697 1 66 . . . 86 86 GLY . . . . . . 86 86 GLY . . . 0.7118 0.0401 . . . . . . . . . . 4697 1 67 . . . 88 88 THR . . . . . . 88 88 THR . . . 0.6670 0.0402 . . . . . . . . . . 4697 1 68 . . . 89 89 ILE . . . . . . 89 89 ILE . . . 0.7422 0.0493 . . . . . . . . . . 4697 1 69 . . . 90 90 LYS . . . . . . 90 90 LYS . . . 0.7510 0.0323 . . . . . . . . . . 4697 1 70 . . . 91 91 ASN . . . . . . 91 91 ASN . . . 0.7379 0.0343 . . . . . . . . . . 4697 1 71 . . . 92 92 PHE . . . . . . 92 92 PHE . . . 0.6487 0.0199 . . . . . . . . . . 4697 1 72 . . . 93 93 ASN . . . . . . 93 93 ASN . . . 0.5431 0.0310 . . . . . . . . . . 4697 1 73 . . . 94 94 ASP . . . . . . 94 94 ASP . . . 0.7383 0.0284 . . . . . . . . . . 4697 1 74 . . . 95 95 ILE . . . . . . 95 95 ILE . . . 0.6489 0.0279 . . . . . . . . . . 4697 1 75 . . . 96 96 LYS . . . . . . 96 96 LYS . . . 0.7195 0.0415 . . . . . . . . . . 4697 1 76 . . . 98 98 GLY . . . . . . 98 98 GLY . . . 0.7360 0.0394 . . . . . . . . . . 4697 1 77 . . . 99 99 ASP . . . . . . 99 99 ASP . . . 0.6540 0.0240 . . . . . . . . . . 4697 1 78 . . . 100 100 VAL . . . . . . 100 100 VAL . . . 0.7501 0.0343 . . . . . . . . . . 4697 1 79 . . . 101 101 ILE . . . . . . 101 101 ILE . . . 0.7592 0.0395 . . . . . . . . . . 4697 1 80 . . . 102 102 GLU . . . . . . 102 102 GLU . . . 0.7379 0.0507 . . . . . . . . . . 4697 1 81 . . . 103 103 ALA . . . . . . 103 103 ALA . . . 0.7379 0.0376 . . . . . . . . . . 4697 1 82 . . . 104 104 TYR . . . . . . 104 104 TYR . . . 0.7464 0.0447 . . . . . . . . . . 4697 1 83 . . . 105 105 VAL . . . . . . 105 105 VAL . . . 0.7399 0.0467 . . . . . . . . . . 4697 1 84 . . . 106 106 MET . . . . . . 106 106 MET . . . 0.6487 0.0381 . . . . . . . . . . 4697 1 85 . . . 107 107 GLN . . . . . . 107 107 GLN . . . 0.5943 0.0428 . . . . . . . . . . 4697 1 86 . . . 108 108 GLU . . . . . . 108 108 GLU . . . 0.4463 0.1106 . . . . . . . . . . 4697 1 87 . . . 109 109 VAL . . . . . . 109 109 VAL . . . 0.3647 0.0295 . . . . . . . . . . 4697 1 88 . . . 110 110 ALA . . . . . . 110 110 ALA . . . -0.0840 0.0545 . . . . . . . . . . 4697 1 89 . . . 111 111 ARG . . . . . . 111 111 ARG . . . -0.3951 0.0585 . . . . . . . . . . 4697 1 90 . . . 112 112 ALA . . . . . . 112 112 ALA . . . -1.3831 0.0290 . . . . . . . . . . 4697 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_set_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_set_1 _Heteronucl_T1_list.Entry_ID 4697 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions _Heteronucl_T1_list.Spectrometer_frequency_1H . _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 4697 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 15 15 GLU N . . 0.5827 0.0052 . . . . . 4697 1 2 . 1 1 17 17 LYS N . . 0.5061 0.0070 . . . . . 4697 1 3 . 1 1 18 18 VAL N . . 0.5284 0.0136 . . . . . 4697 1 4 . 1 1 19 19 ILE N . . 0.4798 0.0063 . . . . . 4697 1 5 . 1 1 20 20 GLY N . . 0.4741 0.0082 . . . . . 4697 1 6 . 1 1 21 21 GLN N . . 0.4960 0.0095 . . . . . 4697 1 7 . 1 1 22 22 ALA N . . 0.5089 0.0074 . . . . . 4697 1 8 . 1 1 23 23 GLU N . . 0.4964 0.0103 . . . . . 4697 1 9 . 1 1 24 24 VAL N . . 0.5062 0.0078 . . . . . 4697 1 10 . 1 1 25 25 ARG N . . 0.4943 0.0043 . . . . . 4697 1 11 . 1 1 26 26 GLN N . . 0.5337 0.0110 . . . . . 4697 1 12 . 1 1 27 27 THR N . . 0.5627 0.0105 . . . . . 4697 1 13 . 1 1 28 28 PHE N . . 0.5424 0.0129 . . . . . 4697 1 14 . 1 1 29 29 LYS N . . 0.5722 0.0100 . . . . . 4697 1 15 . 1 1 30 30 VAL N . . 0.5865 0.0104 . . . . . 4697 1 16 . 1 1 31 31 SER N . . 0.4884 0.0206 . . . . . 4697 1 17 . 1 1 32 32 LYS N . . 0.5099 0.0125 . . . . . 4697 1 18 . 1 1 34 34 GLY N . . 0.5877 0.0087 . . . . . 4697 1 19 . 1 1 35 35 THR N . . 0.5739 0.0124 . . . . . 4697 1 20 . 1 1 36 36 ILE N . . 0.5433 0.0145 . . . . . 4697 1 21 . 1 1 37 37 ALA N . . 0.5018 0.0098 . . . . . 4697 1 22 . 1 1 38 38 GLY N . . 0.4810 0.0094 . . . . . 4697 1 23 . 1 1 39 39 CYS N . . 0.5006 0.0058 . . . . . 4697 1 24 . 1 1 40 40 TYR N . . 0.4856 0.0109 . . . . . 4697 1 25 . 1 1 41 41 VAL N . . 0.4887 0.0156 . . . . . 4697 1 26 . 1 1 42 42 THR N . . 0.4766 0.0515 . . . . . 4697 1 27 . 1 1 43 43 ASP N . . 0.4880 0.0076 . . . . . 4697 1 28 . 1 1 44 44 GLY N . . 0.5244 0.0070 . . . . . 4697 1 29 . 1 1 45 45 LYS N . . 0.5198 0.0046 . . . . . 4697 1 30 . 1 1 46 46 ILE N . . 0.5235 0.0067 . . . . . 4697 1 31 . 1 1 47 47 THR N . . 0.4908 0.0090 . . . . . 4697 1 32 . 1 1 48 48 ARG N . . 0.4876 0.0039 . . . . . 4697 1 33 . 1 1 49 49 ASP N . . 0.4704 0.0109 . . . . . 4697 1 34 . 1 1 50 50 SER N . . 0.5503 0.0105 . . . . . 4697 1 35 . 1 1 51 51 LYS N . . 0.5288 0.0076 . . . . . 4697 1 36 . 1 1 52 52 VAL N . . 0.4779 0.0065 . . . . . 4697 1 37 . 1 1 53 53 ARG N . . 0.4848 0.0057 . . . . . 4697 1 38 . 1 1 54 54 LEU N . . 0.5048 0.0134 . . . . . 4697 1 39 . 1 1 55 55 ILE N . . 0.4906 0.0068 . . . . . 4697 1 40 . 1 1 56 56 ARG N . . 0.5262 0.0076 . . . . . 4697 1 41 . 1 1 57 57 GLN N . . 0.5257 0.0139 . . . . . 4697 1 42 . 1 1 58 58 GLY N . . 0.5389 0.0055 . . . . . 4697 1 43 . 1 1 59 59 ILE N . . 0.5654 0.0130 . . . . . 4697 1 44 . 1 1 60 60 VAL N . . 0.5636 0.0108 . . . . . 4697 1 45 . 1 1 61 61 VAL N . . 0.5067 0.0088 . . . . . 4697 1 46 . 1 1 62 62 TYR N . . 0.4802 0.0092 . . . . . 4697 1 47 . 1 1 63 63 GLU N . . 0.5093 0.0065 . . . . . 4697 1 48 . 1 1 64 64 GLY N . . 0.5022 0.0102 . . . . . 4697 1 49 . 1 1 65 65 GLU N . . 0.5343 0.0105 . . . . . 4697 1 50 . 1 1 67 67 ASP N . . 0.5495 0.0091 . . . . . 4697 1 51 . 1 1 68 68 SER N . . 0.5328 0.0115 . . . . . 4697 1 52 . 1 1 69 69 LEU N . . 0.5010 0.0085 . . . . . 4697 1 53 . 1 1 71 71 ARG N . . 0.4959 0.0076 . . . . . 4697 1 54 . 1 1 72 72 TYR N . . 0.4994 0.0061 . . . . . 4697 1 55 . 1 1 74 74 ASP N . . 0.5068 0.0115 . . . . . 4697 1 56 . 1 1 76 76 VAL N . . 0.4999 0.0092 . . . . . 4697 1 57 . 1 1 77 77 ARG N . . 0.4997 0.0078 . . . . . 4697 1 58 . 1 1 78 78 GLU N . . 0.5907 0.0120 . . . . . 4697 1 59 . 1 1 79 79 VAL N . . 0.5267 0.0060 . . . . . 4697 1 60 . 1 1 80 80 ALA N . . 0.5308 0.0103 . . . . . 4697 1 61 . 1 1 81 81 GLN N . . 0.5961 0.0085 . . . . . 4697 1 62 . 1 1 82 82 GLY N . . 0.4801 0.0054 . . . . . 4697 1 63 . 1 1 83 83 TYR N . . 0.5416 0.0079 . . . . . 4697 1 64 . 1 1 84 84 GLU N . . 0.5256 0.0112 . . . . . 4697 1 65 . 1 1 85 85 CYS N . . 0.4855 0.0088 . . . . . 4697 1 66 . 1 1 86 86 GLY N . . 0.4714 0.0095 . . . . . 4697 1 67 . 1 1 88 88 THR N . . 0.4942 0.0080 . . . . . 4697 1 68 . 1 1 89 89 ILE N . . 0.5017 0.0095 . . . . . 4697 1 69 . 1 1 90 90 LYS N . . 0.5035 0.0065 . . . . . 4697 1 70 . 1 1 91 91 ASN N . . 0.5166 0.0109 . . . . . 4697 1 71 . 1 1 92 92 PHE N . . 0.5068 0.0102 . . . . . 4697 1 72 . 1 1 93 93 ASN N . . 0.5357 0.0148 . . . . . 4697 1 73 . 1 1 94 94 ASP N . . 0.5118 0.0125 . . . . . 4697 1 74 . 1 1 95 95 ILE N . . 0.5704 0.0103 . . . . . 4697 1 75 . 1 1 96 96 LYS N . . 0.5648 0.0073 . . . . . 4697 1 76 . 1 1 98 98 GLY N . . 0.4856 0.0061 . . . . . 4697 1 77 . 1 1 99 99 ASP N . . 0.5404 0.0064 . . . . . 4697 1 78 . 1 1 100 100 VAL N . . 0.5098 0.0049 . . . . . 4697 1 79 . 1 1 101 101 ILE N . . 0.5143 0.0097 . . . . . 4697 1 80 . 1 1 102 102 GLU N . . 0.4938 0.0073 . . . . . 4697 1 81 . 1 1 103 103 ALA N . . 0.4648 0.0105 . . . . . 4697 1 82 . 1 1 104 104 TYR N . . 0.4957 0.0091 . . . . . 4697 1 83 . 1 1 105 105 VAL N . . 0.4936 0.0069 . . . . . 4697 1 84 . 1 1 106 106 MET N . . 0.5548 0.0082 . . . . . 4697 1 85 . 1 1 107 107 GLN N . . 0.5407 0.0054 . . . . . 4697 1 86 . 1 1 108 108 GLU N . . 0.6143 0.0162 . . . . . 4697 1 87 . 1 1 109 109 VAL N . . 0.5766 0.0110 . . . . . 4697 1 88 . 1 1 110 110 ALA N . . 0.6648 0.0140 . . . . . 4697 1 89 . 1 1 111 111 ARG N . . 0.8356 0.0054 . . . . . 4697 1 90 . 1 1 112 112 ALA N . . 1.3356 0.0662 . . . . . 4697 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_set_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_set_1 _Heteronucl_T2_list.Entry_ID 4697 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H . _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 4697 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 15 15 GLU N . . 0.1300 0.0032 . . . . . . . 4697 1 2 . 1 1 17 17 LYS N . . 0.1257 0.0012 . . . . . . . 4697 1 3 . 1 1 18 18 VAL N . . 0.1157 0.0004 . . . . . . . 4697 1 4 . 1 1 19 19 ILE N . . 0.1073 0.0014 . . . . . . . 4697 1 5 . 1 1 20 20 GLY N . . 0.1027 0.0016 . . . . . . . 4697 1 6 . 1 1 21 21 GLN N . . 0.1053 0.0015 . . . . . . . 4697 1 7 . 1 1 22 22 ALA N . . 0.1113 0.0010 . . . . . . . 4697 1 8 . 1 1 23 23 GLU N . . 0.1042 0.0013 . . . . . . . 4697 1 9 . 1 1 24 24 VAL N . . 0.1011 0.0008 . . . . . . . 4697 1 10 . 1 1 25 25 ARG N . . 0.1084 0.0058 . . . . . . . 4697 1 11 . 1 1 26 26 GLN N . . 0.1059 0.0010 . . . . . . . 4697 1 12 . 1 1 27 27 THR N . . 0.1171 0.0023 . . . . . . . 4697 1 13 . 1 1 28 28 PHE N . . 0.0953 0.0011 . . . . . . . 4697 1 14 . 1 1 29 29 LYS N . . 0.1191 0.0006 . . . . . . . 4697 1 15 . 1 1 30 30 VAL N . . 0.1134 0.0006 . . . . . . . 4697 1 16 . 1 1 31 31 SER N . . 0.0910 0.0018 . . . . . . . 4697 1 17 . 1 1 32 32 LYS N . . 0.1303 0.0018 . . . . . . . 4697 1 18 . 1 1 34 34 GLY N . . 0.1306 0.0006 . . . . . . . 4697 1 19 . 1 1 35 35 THR N . . 0.1054 0.0011 . . . . . . . 4697 1 20 . 1 1 36 36 ILE N . . 0.0968 0.0012 . . . . . . . 4697 1 21 . 1 1 37 37 ALA N . . 0.0955 0.0017 . . . . . . . 4697 1 22 . 1 1 38 38 GLY N . . 0.1091 0.0011 . . . . . . . 4697 1 23 . 1 1 39 39 CYS N . . 0.1100 0.0023 . . . . . . . 4697 1 24 . 1 1 40 40 TYR N . . 0.1033 0.0005 . . . . . . . 4697 1 25 . 1 1 41 41 VAL N . . 0.0951 0.0016 . . . . . . . 4697 1 26 . 1 1 42 42 THR N . . 0.0948 0.0015 . . . . . . . 4697 1 27 . 1 1 43 43 ASP N . . 0.1062 0.0007 . . . . . . . 4697 1 28 . 1 1 44 44 GLY N . . 0.1294 0.0012 . . . . . . . 4697 1 29 . 1 1 45 45 LYS N . . 0.0913 0.0039 . . . . . . . 4697 1 30 . 1 1 46 46 ILE N . . 0.1062 0.0016 . . . . . . . 4697 1 31 . 1 1 47 47 THR N . . 0.0723 0.0109 . . . . . . . 4697 1 32 . 1 1 48 48 ARG N . . 0.1075 0.0016 . . . . . . . 4697 1 33 . 1 1 49 49 ASP N . . 0.1107 0.0012 . . . . . . . 4697 1 34 . 1 1 50 50 SER N . . 0.1064 0.0012 . . . . . . . 4697 1 35 . 1 1 51 51 LYS N . . 0.1068 0.0026 . . . . . . . 4697 1 36 . 1 1 52 52 VAL N . . 0.1182 0.0012 . . . . . . . 4697 1 37 . 1 1 53 53 ARG N . . 0.1103 0.0007 . . . . . . . 4697 1 38 . 1 1 54 54 LEU N . . 0.1092 0.0015 . . . . . . . 4697 1 39 . 1 1 55 55 ILE N . . 0.1119 0.0007 . . . . . . . 4697 1 40 . 1 1 56 56 ARG N . . 0.1051 0.0055 . . . . . . . 4697 1 41 . 1 1 57 57 GLN N . . 0.1091 0.0018 . . . . . . . 4697 1 42 . 1 1 58 58 GLY N . . 0.1096 0.0013 . . . . . . . 4697 1 43 . 1 1 59 59 ILE N . . 0.0915 0.0020 . . . . . . . 4697 1 44 . 1 1 60 60 VAL N . . 0.1100 0.0002 . . . . . . . 4697 1 45 . 1 1 61 61 VAL N . . 0.1079 0.0019 . . . . . . . 4697 1 46 . 1 1 62 62 TYR N . . 0.1062 0.0024 . . . . . . . 4697 1 47 . 1 1 63 63 GLU N . . 0.1191 0.0007 . . . . . . . 4697 1 48 . 1 1 64 64 GLY N . . 0.1164 0.0036 . . . . . . . 4697 1 49 . 1 1 65 65 GLU N . . 0.1286 0.0011 . . . . . . . 4697 1 50 . 1 1 67 67 ASP N . . 0.0916 0.0091 . . . . . . . 4697 1 51 . 1 1 68 68 SER N . . 0.1379 0.0029 . . . . . . . 4697 1 52 . 1 1 69 69 LEU N . . 0.1217 0.0021 . . . . . . . 4697 1 53 . 1 1 71 71 ARG N . . 0.1111 0.0016 . . . . . . . 4697 1 54 . 1 1 72 72 TYR N . . 0.1204 0.0022 . . . . . . . 4697 1 55 . 1 1 74 74 ASP N . . 0.1169 0.0018 . . . . . . . 4697 1 56 . 1 1 76 76 VAL N . . 0.1125 0.0012 . . . . . . . 4697 1 57 . 1 1 77 77 ARG N . . 0.1144 0.0016 . . . . . . . 4697 1 58 . 1 1 78 78 GLU N . . 0.1303 0.0032 . . . . . . . 4697 1 59 . 1 1 79 79 VAL N . . 0.0964 0.0008 . . . . . . . 4697 1 60 . 1 1 80 80 ALA N . . 0.1094 0.0009 . . . . . . . 4697 1 61 . 1 1 81 81 GLN N . . 0.1108 0.0027 . . . . . . . 4697 1 62 . 1 1 82 82 GLY N . . 0.1142 0.0017 . . . . . . . 4697 1 63 . 1 1 83 83 TYR N . . 0.0941 0.0009 . . . . . . . 4697 1 64 . 1 1 84 84 GLU N . . 0.1142 0.0023 . . . . . . . 4697 1 65 . 1 1 85 85 CYS N . . 0.1146 0.0028 . . . . . . . 4697 1 66 . 1 1 86 86 GLY N . . 0.1059 0.0034 . . . . . . . 4697 1 67 . 1 1 88 88 THR N . . 0.1084 0.0010 . . . . . . . 4697 1 68 . 1 1 89 89 ILE N . . 0.1000 0.0017 . . . . . . . 4697 1 69 . 1 1 90 90 LYS N . . 0.1026 0.0026 . . . . . . . 4697 1 70 . 1 1 91 91 ASN N . . 0.1111 0.0006 . . . . . . . 4697 1 71 . 1 1 92 92 PHE N . . 0.1081 0.0013 . . . . . . . 4697 1 72 . 1 1 93 93 ASN N . . 0.1244 0.0019 . . . . . . . 4697 1 73 . 1 1 94 94 ASP N . . 0.0985 0.0015 . . . . . . . 4697 1 74 . 1 1 95 95 ILE N . . 0.1141 0.0025 . . . . . . . 4697 1 75 . 1 1 96 96 LYS N . . 0.1015 0.0014 . . . . . . . 4697 1 76 . 1 1 98 98 GLY N . . 0.1114 0.0007 . . . . . . . 4697 1 77 . 1 1 99 99 ASP N . . 0.1169 0.0047 . . . . . . . 4697 1 78 . 1 1 100 100 VAL N . . 0.1011 0.0026 . . . . . . . 4697 1 79 . 1 1 101 101 ILE N . . 0.1056 0.0020 . . . . . . . 4697 1 80 . 1 1 102 102 GLU N . . 0.1167 0.0015 . . . . . . . 4697 1 81 . 1 1 103 103 ALA N . . 0.1104 0.0020 . . . . . . . 4697 1 82 . 1 1 104 104 TYR N . . 0.0993 0.0013 . . . . . . . 4697 1 83 . 1 1 105 105 VAL N . . 0.1074 0.0027 . . . . . . . 4697 1 84 . 1 1 106 106 MET N . . 0.1116 0.0012 . . . . . . . 4697 1 85 . 1 1 107 107 GLN N . . 0.1331 0.0030 . . . . . . . 4697 1 86 . 1 1 108 108 GLU N . . 0.1124 0.0026 . . . . . . . 4697 1 87 . 1 1 109 109 VAL N . . 0.1548 0.0022 . . . . . . . 4697 1 88 . 1 1 110 110 ALA N . . 0.2212 0.0188 . . . . . . . 4697 1 89 . 1 1 111 111 ARG N . . 0.3566 0.0062 . . . . . . . 4697 1 90 . 1 1 112 112 ALA N . . 0.9669 0.0479 . . . . . . . 4697 1 stop_ save_