data_5226 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5226 _Entry.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments and secondary structure determination of the Ssh10b from Hyperthermphilic Archaeon Sulfolobus shibatae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-12-07 _Entry.Accession_date 2001-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 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 Yu-Feng Tong . . . 5226 2 Qiu Cui . . . 5226 3 Yingang Feng . . . 5226 4 Li Huang . . . 5226 5 Jin-Feng Wang . . . 5226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 701 5226 '13C chemical shifts' 420 5226 '15N chemical shifts' 101 5226 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-11-25 . update BMRB 'Links to related BMRB entries inserted' 5226 2 . . 2002-12-27 . original author 'Original release' 5226 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6019 'P62A dimer' 5226 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5226 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012554 _Citation.DOI . _Citation.PubMed_ID 12018492 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments and secondary structure of the Ssh10b from Hyperthermphilic Archaeon Sulfolobus shibatae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _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 385 _Citation.Page_last 386 _Citation.Year 2002 _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 Yu-Feng Tong . . . 5226 1 2 Qiu Cui . . . 5226 1 3 Yingang Feng . . . 5226 1 4 Li Huang . . . 5226 1 5 Jin-Feng Wang . . . 5226 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5226 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10869069 _Citation.Full_citation ; Xue H, Guo R, Wen Y, Liu D, Huang L. An abundant DNA binding protein from the hyperthermophilic archaeon Sulfolobus shibatae affects DNA supercoiling in a temperature-dependent fashion. J Bacteriol. 2000 Jul;182(14):3929-33. ; _Citation.Title 'An abundant DNA binding protein from the hyperthermophilic archaeon Sulfolobus shibatae affects DNA supercoiling in a temperature-dependent fashion.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 182 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9193 _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 3929 _Citation.Page_last 3933 _Citation.Year 2000 _Citation.Details ; The DNA binding protein Ssh10b, a member of the Sac10b family, has been purified from the hyperthermophilic archaeon Sulfolobus shibatae. Ssh10b constitutes about 4% of the cellular protein. Electrophoretic mobility shift assays showed that Ssh10b first bound a double-stranded DNA fragment with an estimated binding size of approximately approximately 12 bp, forming distinct shifts, until the DNA was coated with the protein. Binding of more Ssh10b resulted in the formation of smears of lower mobilities. The migration pattern of the smearing Ssh10b-DNA complexes was affected by temperature, whereas that of complexes associated with the distinct shifts was not. Interestingly, Ssh10b was capable of constraining negative DNA supercoils in a temperature-dependent fashion. While the ability of the protein to constrain supercoils was weak at 25 degrees C, it was enhanced substantially at 45 degrees C or higher temperatures (up to 80 degrees C). Taken together, our data suggest that archaeal proteins of the Sac10b family may affect the topology of chromosomal DNA in thermophilic archaea at their growth temperatures. ; 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 H Xue H. . . 5226 2 2 R Guo R. . . 5226 2 3 Y Wen Y. . . 5226 2 4 D Liu D. . . 5226 2 5 L Huang L. . . 5226 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ssh10b _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ssh10b _Assembly.Entry_ID 5226 _Assembly.ID 1 _Assembly.Name 'Ssh10b dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5226 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 'Ssh10b subunit 1' 1 $Ssh10b . . . native . . 1 . . 5226 1 2 'Ssh10b subunit 2' 1 $Ssh10b . . . native . . 1 . . 5226 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ssh10b dimer' system 5226 1 Ssh10b abbreviation 5226 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'histone-like DNA binding protein' 5226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ssh10b _Entity.Sf_category entity _Entity.Sf_framecode Ssh10b _Entity.Entry_ID 5226 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ssh10b _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 ; MSSGTPTPSNVVLIGKKPVM NYVLAALTLLNQGVSEIVIK ARGRAISKAVDTVEIVRNRF LPDKIEIKEIRVGSQVVTSQ DGRQSRVSTIEIAIRKK ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6019 . P62A . . . . . 100.00 97 98.97 98.97 7.73e-59 . . . . 5226 1 2 no PDB 1H0X . "Structure Of Alba: An Archaeal Chromatin Protein Modulated By Acetylation" . . . . . 100.00 100 100.00 100.00 7.29e-60 . . . . 5226 1 3 no PDB 1H0Y . "Structure Of Alba: An Archaeal Chromatin Protein Modulated By Acetylation" . . . . . 100.00 100 100.00 100.00 7.29e-60 . . . . 5226 1 4 no PDB 1Y9X . "Solution Structure Of Archaeon Dna-Binding Protein Ssh10b" . . . . . 100.00 97 98.97 98.97 7.73e-59 . . . . 5226 1 5 no PDB 2BKY . "Crystal Structure Of The Alba1:alba2 Heterodimer From Sulfolobus Solfataricus" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 6 no PDB 3WBM . "Crystal Structure Of Protein-rna Complex" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 7 no EMBL CAA67066 . "unknown [Sulfolobus shibatae B12]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 8 no EMBL CAC12668 . "putative histone-like protein [Sulfolobus solfataricus]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 9 no GB AAK41236 . "DNA binding protein SSO10b [Sulfolobus solfataricus P2]" . . . . . 100.00 100 100.00 100.00 7.29e-60 . . . . 5226 1 10 no GB ACP35357 . "DNA-binding protein Alba [Sulfolobus islandicus L.S.2.15]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 11 no GB ACP38017 . "DNA-binding protein Alba [Sulfolobus islandicus M.14.25]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 12 no GB ACP45513 . "DNA-binding protein Alba [Sulfolobus islandicus Y.G.57.14]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 13 no GB ACP48689 . "DNA-binding protein Alba [Sulfolobus islandicus Y.N.15.51]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 14 no REF NP_342446 . "DNA/RNA-binding protein albA [Sulfolobus solfataricus P2]" . . . . . 100.00 100 100.00 100.00 7.29e-60 . . . . 5226 1 15 no REF WP_009992406 . "MULTISPECIES: DNA-binding protein [Sulfolobus]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 16 no REF WP_010923153 . "DNA-binding protein [Sulfolobus solfataricus]" . . . . . 100.00 100 100.00 100.00 7.29e-60 . . . . 5226 1 17 no REF YP_002829315 . "DNA/RNA-binding protein albA [Sulfolobus islandicus M.14.25]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 18 no REF YP_002832002 . "DNA/RNA-binding protein albA [Sulfolobus islandicus L.S.2.15]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 19 no SP P60848 . "RecName: Full=DNA/RNA-binding protein Alba 1; AltName: Full=Ssh10b [Sulfolobus shibatae]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 20 no SP P60849 . "RecName: Full=DNA/RNA-binding protein Alba 1; AltName: Full=Sso10b [Sulfolobus solfataricus P2]" . . . . . 100.00 97 100.00 100.00 7.59e-60 . . . . 5226 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ssh10b common 5226 1 Ssh10b abbreviation 5226 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5226 1 2 . SER . 5226 1 3 . SER . 5226 1 4 . GLY . 5226 1 5 . THR . 5226 1 6 . PRO . 5226 1 7 . THR . 5226 1 8 . PRO . 5226 1 9 . SER . 5226 1 10 . ASN . 5226 1 11 . VAL . 5226 1 12 . VAL . 5226 1 13 . LEU . 5226 1 14 . ILE . 5226 1 15 . GLY . 5226 1 16 . LYS . 5226 1 17 . LYS . 5226 1 18 . PRO . 5226 1 19 . VAL . 5226 1 20 . MET . 5226 1 21 . ASN . 5226 1 22 . TYR . 5226 1 23 . VAL . 5226 1 24 . LEU . 5226 1 25 . ALA . 5226 1 26 . ALA . 5226 1 27 . LEU . 5226 1 28 . THR . 5226 1 29 . LEU . 5226 1 30 . LEU . 5226 1 31 . ASN . 5226 1 32 . GLN . 5226 1 33 . GLY . 5226 1 34 . VAL . 5226 1 35 . SER . 5226 1 36 . GLU . 5226 1 37 . ILE . 5226 1 38 . VAL . 5226 1 39 . ILE . 5226 1 40 . LYS . 5226 1 41 . ALA . 5226 1 42 . ARG . 5226 1 43 . GLY . 5226 1 44 . ARG . 5226 1 45 . ALA . 5226 1 46 . ILE . 5226 1 47 . SER . 5226 1 48 . LYS . 5226 1 49 . ALA . 5226 1 50 . VAL . 5226 1 51 . ASP . 5226 1 52 . THR . 5226 1 53 . VAL . 5226 1 54 . GLU . 5226 1 55 . ILE . 5226 1 56 . VAL . 5226 1 57 . ARG . 5226 1 58 . ASN . 5226 1 59 . ARG . 5226 1 60 . PHE . 5226 1 61 . LEU . 5226 1 62 . PRO . 5226 1 63 . ASP . 5226 1 64 . LYS . 5226 1 65 . ILE . 5226 1 66 . GLU . 5226 1 67 . ILE . 5226 1 68 . LYS . 5226 1 69 . GLU . 5226 1 70 . ILE . 5226 1 71 . ARG . 5226 1 72 . VAL . 5226 1 73 . GLY . 5226 1 74 . SER . 5226 1 75 . GLN . 5226 1 76 . VAL . 5226 1 77 . VAL . 5226 1 78 . THR . 5226 1 79 . SER . 5226 1 80 . GLN . 5226 1 81 . ASP . 5226 1 82 . GLY . 5226 1 83 . ARG . 5226 1 84 . GLN . 5226 1 85 . SER . 5226 1 86 . ARG . 5226 1 87 . VAL . 5226 1 88 . SER . 5226 1 89 . THR . 5226 1 90 . ILE . 5226 1 91 . GLU . 5226 1 92 . ILE . 5226 1 93 . ALA . 5226 1 94 . ILE . 5226 1 95 . ARG . 5226 1 96 . LYS . 5226 1 97 . LYS . 5226 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5226 1 . SER 2 2 5226 1 . SER 3 3 5226 1 . GLY 4 4 5226 1 . THR 5 5 5226 1 . PRO 6 6 5226 1 . THR 7 7 5226 1 . PRO 8 8 5226 1 . SER 9 9 5226 1 . ASN 10 10 5226 1 . VAL 11 11 5226 1 . VAL 12 12 5226 1 . LEU 13 13 5226 1 . ILE 14 14 5226 1 . GLY 15 15 5226 1 . LYS 16 16 5226 1 . LYS 17 17 5226 1 . PRO 18 18 5226 1 . VAL 19 19 5226 1 . MET 20 20 5226 1 . ASN 21 21 5226 1 . TYR 22 22 5226 1 . VAL 23 23 5226 1 . LEU 24 24 5226 1 . ALA 25 25 5226 1 . ALA 26 26 5226 1 . LEU 27 27 5226 1 . THR 28 28 5226 1 . LEU 29 29 5226 1 . LEU 30 30 5226 1 . ASN 31 31 5226 1 . GLN 32 32 5226 1 . GLY 33 33 5226 1 . VAL 34 34 5226 1 . SER 35 35 5226 1 . GLU 36 36 5226 1 . ILE 37 37 5226 1 . VAL 38 38 5226 1 . ILE 39 39 5226 1 . LYS 40 40 5226 1 . ALA 41 41 5226 1 . ARG 42 42 5226 1 . GLY 43 43 5226 1 . ARG 44 44 5226 1 . ALA 45 45 5226 1 . ILE 46 46 5226 1 . SER 47 47 5226 1 . LYS 48 48 5226 1 . ALA 49 49 5226 1 . VAL 50 50 5226 1 . ASP 51 51 5226 1 . THR 52 52 5226 1 . VAL 53 53 5226 1 . GLU 54 54 5226 1 . ILE 55 55 5226 1 . VAL 56 56 5226 1 . ARG 57 57 5226 1 . ASN 58 58 5226 1 . ARG 59 59 5226 1 . PHE 60 60 5226 1 . LEU 61 61 5226 1 . PRO 62 62 5226 1 . ASP 63 63 5226 1 . LYS 64 64 5226 1 . ILE 65 65 5226 1 . GLU 66 66 5226 1 . ILE 67 67 5226 1 . LYS 68 68 5226 1 . GLU 69 69 5226 1 . ILE 70 70 5226 1 . ARG 71 71 5226 1 . VAL 72 72 5226 1 . GLY 73 73 5226 1 . SER 74 74 5226 1 . GLN 75 75 5226 1 . VAL 76 76 5226 1 . VAL 77 77 5226 1 . THR 78 78 5226 1 . SER 79 79 5226 1 . GLN 80 80 5226 1 . ASP 81 81 5226 1 . GLY 82 82 5226 1 . ARG 83 83 5226 1 . GLN 84 84 5226 1 . SER 85 85 5226 1 . ARG 86 86 5226 1 . VAL 87 87 5226 1 . SER 88 88 5226 1 . THR 89 89 5226 1 . ILE 90 90 5226 1 . GLU 91 91 5226 1 . ILE 92 92 5226 1 . ALA 93 93 5226 1 . ILE 94 94 5226 1 . ARG 95 95 5226 1 . LYS 96 96 5226 1 . LYS 97 97 5226 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 5226 _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 $Ssh10b . 2286 . . 'Sulfolobus shibatae' 'Sulfolobus shibatae' . . Archaea Crenarchaeota Sulfolobus shibatae . . . . . . . . 51178 . . . . . . . . . . . . 5226 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 5226 _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 $Ssh10b . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5226 _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 Ssh10b '[U-95% 13C; U-98% 15N]' . . 1 $Ssh10b . . 1.5 . . mM . . . . 5226 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5226 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.1 na 5226 1 temperature 310 0.1 K 5226 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5226 _Software.ID 1 _Software.Name Felix _Software.Version 98.0 _Software.Details 'Home-written macroes for processing spectra.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5226 1 'peak assignments' 5226 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceDMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5226 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AvanceDMX . 600 . . . 5226 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 5226 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 4 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 6 HBANNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 7 HBA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 10 P(i+1) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 11 P(i-1) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 12 P(15Ni,1Hi+1) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 13 P(15Ni,1Hi-1) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5226 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBANNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name P(i+1) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name P(i-1) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name P(15Ni,1Hi+1) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5226 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name P(15Ni,1Hi-1) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'The P(i+1),P(i-1),P(15Ni,1Hi+1),P(15Ni,1Hi-1) are proline selective experiments.' 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 5226 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5226 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5226 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5226 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_C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_C _Assigned_chem_shift_list.Entry_ID 5226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCA 1 $sample_1 . 5226 1 2 HNCACB 1 $sample_1 . 5226 1 3 CBCA(CO)NH 1 $sample_1 . 5226 1 4 HNCACO 1 $sample_1 . 5226 1 5 HNCO 1 $sample_1 . 5226 1 6 HBANNH 1 $sample_1 . 5226 1 7 HBA(CO)NH 1 $sample_1 . 5226 1 8 C(CO)NH 1 $sample_1 . 5226 1 9 HCCH-TOCSY 1 $sample_1 . 5226 1 10 P(i+1) 1 $sample_1 . 5226 1 11 P(i-1) 1 $sample_1 . 5226 1 12 P(15Ni,1Hi+1) 1 $sample_1 . 5226 1 13 P(15Ni,1Hi-1) 1 $sample_1 . 5226 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 3 3 SER HA H 1 4.542 0.02 . 1 . . . . . . . . 5226 1 2 . 1 1 3 3 SER HB2 H 1 3.888 0.02 . 1 . . . . . . . . 5226 1 3 . 1 1 3 3 SER HB3 H 1 3.888 0.02 . 1 . . . . . . . . 5226 1 4 . 1 1 3 3 SER CA C 13 58.553 0.24 . 1 . . . . . . . . 5226 1 5 . 1 1 3 3 SER C C 13 174.703 0.12 . 1 . . . . . . . . 5226 1 6 . 1 1 3 3 SER CB C 13 64.001 0.27 . 1 . . . . . . . . 5226 1 7 . 1 1 4 4 GLY H H 1 8.414 0.01 . 1 . . . . . . . . 5226 1 8 . 1 1 4 4 GLY HA2 H 1 4.000 0.02 . 1 . . . . . . . . 5226 1 9 . 1 1 4 4 GLY HA3 H 1 4.000 0.02 . 1 . . . . . . . . 5226 1 10 . 1 1 4 4 GLY N N 15 111.423 0.07 . 1 . . . . . . . . 5226 1 11 . 1 1 4 4 GLY CA C 13 45.273 0.24 . 1 . . . . . . . . 5226 1 12 . 1 1 4 4 GLY C C 13 173.893 0.12 . 1 . . . . . . . . 5226 1 13 . 1 1 5 5 THR H H 1 8.047 0.01 . 1 . . . . . . . . 5226 1 14 . 1 1 5 5 THR HA H 1 4.608 0.02 . 1 . . . . . . . . 5226 1 15 . 1 1 5 5 THR HB H 1 4.115 0.02 . 1 . . . . . . . . 5226 1 16 . 1 1 5 5 THR HG21 H 1 1.222 0.02 . 1 . . . . . . . . 5226 1 17 . 1 1 5 5 THR HG22 H 1 1.222 0.02 . 1 . . . . . . . . 5226 1 18 . 1 1 5 5 THR HG23 H 1 1.222 0.02 . 1 . . . . . . . . 5226 1 19 . 1 1 5 5 THR N N 15 117.111 0.07 . 1 . . . . . . . . 5226 1 20 . 1 1 5 5 THR CA C 13 59.761 0.24 . 1 . . . . . . . . 5226 1 21 . 1 1 5 5 THR C C 13 172.939 0.12 . 1 . . . . . . . . 5226 1 22 . 1 1 5 5 THR CB C 13 69.805 0.27 . 1 . . . . . . . . 5226 1 23 . 1 1 5 5 THR CG2 C 13 21.467 0.28 . 1 . . . . . . . . 5226 1 24 . 1 1 6 6 PRO HA H 1 4.476 0.02 . 1 . . . . . . . . 5226 1 25 . 1 1 6 6 PRO HB2 H 1 1.875 0.02 . 2 . . . . . . . . 5226 1 26 . 1 1 6 6 PRO HB3 H 1 2.275 0.02 . 2 . . . . . . . . 5226 1 27 . 1 1 6 6 PRO HG2 H 1 1.991 0.02 . 1 . . . . . . . . 5226 1 28 . 1 1 6 6 PRO HG3 H 1 1.991 0.02 . 1 . . . . . . . . 5226 1 29 . 1 1 6 6 PRO HD2 H 1 3.844 0.02 . 2 . . . . . . . . 5226 1 30 . 1 1 6 6 PRO HD3 H 1 3.699 0.02 . 2 . . . . . . . . 5226 1 31 . 1 1 6 6 PRO N N 15 139.887 0.16 . 1 . . . . . . . . 5226 1 32 . 1 1 6 6 PRO CA C 13 63.185 0.24 . 1 . . . . . . . . 5226 1 33 . 1 1 6 6 PRO C C 13 176.830 0.12 . 1 . . . . . . . . 5226 1 34 . 1 1 6 6 PRO CB C 13 32.204 0.27 . 1 . . . . . . . . 5226 1 35 . 1 1 6 6 PRO CG C 13 27.235 0.28 . 1 . . . . . . . . 5226 1 36 . 1 1 6 6 PRO CD C 13 51.216 0.28 . 1 . . . . . . . . 5226 1 37 . 1 1 7 7 THR H H 1 8.262 0.01 . 1 . . . . . . . . 5226 1 38 . 1 1 7 7 THR HA H 1 4.526 0.02 . 1 . . . . . . . . 5226 1 39 . 1 1 7 7 THR HB H 1 4.099 0.02 . 1 . . . . . . . . 5226 1 40 . 1 1 7 7 THR HG21 H 1 1.255 0.02 . 1 . . . . . . . . 5226 1 41 . 1 1 7 7 THR HG22 H 1 1.255 0.02 . 1 . . . . . . . . 5226 1 42 . 1 1 7 7 THR HG23 H 1 1.255 0.02 . 1 . . . . . . . . 5226 1 43 . 1 1 7 7 THR N N 15 118.326 0.07 . 1 . . . . . . . . 5226 1 44 . 1 1 7 7 THR CA C 13 59.831 0.24 . 1 . . . . . . . . 5226 1 45 . 1 1 7 7 THR C C 13 172.939 0.12 . 1 . . . . . . . . 5226 1 46 . 1 1 7 7 THR CB C 13 69.751 0.27 . 1 . . . . . . . . 5226 1 47 . 1 1 7 7 THR CG2 C 13 21.600 0.28 . 1 . . . . . . . . 5226 1 48 . 1 1 8 8 PRO HA H 1 4.453 0.02 . 1 . . . . . . . . 5226 1 49 . 1 1 8 8 PRO HB2 H 1 1.925 0.02 . 2 . . . . . . . . 5226 1 50 . 1 1 8 8 PRO HB3 H 1 2.321 0.02 . 2 . . . . . . . . 5226 1 51 . 1 1 8 8 PRO HG2 H 1 1.990 0.02 . 1 . . . . . . . . 5226 1 52 . 1 1 8 8 PRO HG3 H 1 1.990 0.02 . 1 . . . . . . . . 5226 1 53 . 1 1 8 8 PRO HD2 H 1 3.654 0.02 . 2 . . . . . . . . 5226 1 54 . 1 1 8 8 PRO HD3 H 1 3.847 0.02 . 2 . . . . . . . . 5226 1 55 . 1 1 8 8 PRO N N 15 139.859 0.16 . 1 . . . . . . . . 5226 1 56 . 1 1 8 8 PRO CA C 13 63.100 0.24 . 1 . . . . . . . . 5226 1 57 . 1 1 8 8 PRO C C 13 176.958 0.12 . 1 . . . . . . . . 5226 1 58 . 1 1 8 8 PRO CB C 13 32.332 0.27 . 1 . . . . . . . . 5226 1 59 . 1 1 8 8 PRO CG C 13 27.459 0.28 . 1 . . . . . . . . 5226 1 60 . 1 1 8 8 PRO CD C 13 51.216 0.28 . 1 . . . . . . . . 5226 1 61 . 1 1 9 9 SER H H 1 8.369 0.01 . 1 . . . . . . . . 5226 1 62 . 1 1 9 9 SER HA H 1 4.455 0.02 . 1 . . . . . . . . 5226 1 63 . 1 1 9 9 SER HB2 H 1 3.957 0.02 . 2 . . . . . . . . 5226 1 64 . 1 1 9 9 SER HB3 H 1 3.855 0.02 . 2 . . . . . . . . 5226 1 65 . 1 1 9 9 SER N N 15 115.973 0.07 . 1 . . . . . . . . 5226 1 66 . 1 1 9 9 SER CA C 13 58.565 0.24 . 1 . . . . . . . . 5226 1 67 . 1 1 9 9 SER C C 13 174.519 0.12 . 1 . . . . . . . . 5226 1 68 . 1 1 9 9 SER CB C 13 63.781 0.27 . 1 . . . . . . . . 5226 1 69 . 1 1 10 10 ASN H H 1 8.231 0.01 . 1 . . . . . . . . 5226 1 70 . 1 1 10 10 ASN HA H 1 4.795 0.02 . 1 . . . . . . . . 5226 1 71 . 1 1 10 10 ASN HB2 H 1 2.658 0.02 . 2 . . . . . . . . 5226 1 72 . 1 1 10 10 ASN HB3 H 1 3.468 0.02 . 2 . . . . . . . . 5226 1 73 . 1 1 10 10 ASN HD21 H 1 7.279 0.02 . 2 . . . . . . . . 5226 1 74 . 1 1 10 10 ASN HD22 H 1 6.848 0.02 . 2 . . . . . . . . 5226 1 75 . 1 1 10 10 ASN N N 15 122.239 0.07 . 1 . . . . . . . . 5226 1 76 . 1 1 10 10 ASN ND2 N 15 110.701 0.07 . 1 . . . . . . . . 5226 1 77 . 1 1 10 10 ASN CA C 13 52.713 0.24 . 1 . . . . . . . . 5226 1 78 . 1 1 10 10 ASN C C 13 173.097 0.12 . 1 . . . . . . . . 5226 1 79 . 1 1 10 10 ASN CB C 13 38.292 0.27 . 1 . . . . . . . . 5226 1 80 . 1 1 11 11 VAL H H 1 7.500 0.01 . 1 . . . . . . . . 5226 1 81 . 1 1 11 11 VAL HA H 1 4.876 0.02 . 1 . . . . . . . . 5226 1 82 . 1 1 11 11 VAL HB H 1 1.875 0.02 . 1 . . . . . . . . 5226 1 83 . 1 1 11 11 VAL HG11 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 84 . 1 1 11 11 VAL HG12 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 85 . 1 1 11 11 VAL HG13 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 86 . 1 1 11 11 VAL HG21 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 87 . 1 1 11 11 VAL HG22 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 88 . 1 1 11 11 VAL HG23 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 89 . 1 1 11 11 VAL N N 15 119.477 0.07 . 1 . . . . . . . . 5226 1 90 . 1 1 11 11 VAL CA C 13 60.824 0.24 . 1 . . . . . . . . 5226 1 91 . 1 1 11 11 VAL C C 13 176.106 0.12 . 1 . . . . . . . . 5226 1 92 . 1 1 11 11 VAL CB C 13 34.239 0.27 . 1 . . . . . . . . 5226 1 93 . 1 1 11 11 VAL CG1 C 13 21.435 0.28 . 1 . . . . . . . . 5226 1 94 . 1 1 11 11 VAL CG2 C 13 21.435 0.28 . 1 . . . . . . . . 5226 1 95 . 1 1 12 12 VAL H H 1 9.175 0.01 . 1 . . . . . . . . 5226 1 96 . 1 1 12 12 VAL HA H 1 4.096 0.02 . 1 . . . . . . . . 5226 1 97 . 1 1 12 12 VAL HB H 1 2.013 0.02 . 1 . . . . . . . . 5226 1 98 . 1 1 12 12 VAL HG11 H 1 0.985 0.02 . 2 . . . . . . . . 5226 1 99 . 1 1 12 12 VAL HG12 H 1 0.985 0.02 . 2 . . . . . . . . 5226 1 100 . 1 1 12 12 VAL HG13 H 1 0.985 0.02 . 2 . . . . . . . . 5226 1 101 . 1 1 12 12 VAL HG21 H 1 0.737 0.02 . 2 . . . . . . . . 5226 1 102 . 1 1 12 12 VAL HG22 H 1 0.737 0.02 . 2 . . . . . . . . 5226 1 103 . 1 1 12 12 VAL HG23 H 1 0.737 0.02 . 2 . . . . . . . . 5226 1 104 . 1 1 12 12 VAL N N 15 129.808 0.07 . 1 . . . . . . . . 5226 1 105 . 1 1 12 12 VAL CA C 13 61.648 0.24 . 1 . . . . . . . . 5226 1 106 . 1 1 12 12 VAL C C 13 173.556 0.12 . 1 . . . . . . . . 5226 1 107 . 1 1 12 12 VAL CB C 13 33.564 0.27 . 1 . . . . . . . . 5226 1 108 . 1 1 12 12 VAL CG1 C 13 20.650 0.28 . 1 . . . . . . . . 5226 1 109 . 1 1 12 12 VAL CG2 C 13 20.650 0.28 . 1 . . . . . . . . 5226 1 110 . 1 1 13 13 LEU H H 1 8.319 0.01 . 1 . . . . . . . . 5226 1 111 . 1 1 13 13 LEU HA H 1 4.636 0.02 . 1 . . . . . . . . 5226 1 112 . 1 1 13 13 LEU HB2 H 1 1.377 0.02 . 2 . . . . . . . . 5226 1 113 . 1 1 13 13 LEU HB3 H 1 1.602 0.02 . 2 . . . . . . . . 5226 1 114 . 1 1 13 13 LEU HG H 1 1.378 0.02 . 1 . . . . . . . . 5226 1 115 . 1 1 13 13 LEU HD11 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 116 . 1 1 13 13 LEU HD12 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 117 . 1 1 13 13 LEU HD13 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 118 . 1 1 13 13 LEU HD21 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 119 . 1 1 13 13 LEU HD22 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 120 . 1 1 13 13 LEU HD23 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 121 . 1 1 13 13 LEU N N 15 129.441 0.07 . 1 . . . . . . . . 5226 1 122 . 1 1 13 13 LEU CA C 13 53.628 0.24 . 1 . . . . . . . . 5226 1 123 . 1 1 13 13 LEU C C 13 176.359 0.12 . 1 . . . . . . . . 5226 1 124 . 1 1 13 13 LEU CB C 13 42.418 0.27 . 1 . . . . . . . . 5226 1 125 . 1 1 13 13 LEU CG C 13 27.177 0.28 . 1 . . . . . . . . 5226 1 126 . 1 1 13 13 LEU CD1 C 13 23.933 0.28 . 2 . . . . . . . . 5226 1 127 . 1 1 13 13 LEU CD2 C 13 25.252 0.28 . 2 . . . . . . . . 5226 1 128 . 1 1 14 14 ILE H H 1 8.619 0.01 . 1 . . . . . . . . 5226 1 129 . 1 1 14 14 ILE HA H 1 2.643 0.02 . 1 . . . . . . . . 5226 1 130 . 1 1 14 14 ILE HB H 1 1.940 0.02 . 1 . . . . . . . . 5226 1 131 . 1 1 14 14 ILE HG12 H 1 0.665 0.02 . 2 . . . . . . . . 5226 1 132 . 1 1 14 14 ILE HG13 H 1 1.581 0.02 . 2 . . . . . . . . 5226 1 133 . 1 1 14 14 ILE HG21 H 1 0.620 0.02 . 1 . . . . . . . . 5226 1 134 . 1 1 14 14 ILE HG22 H 1 0.620 0.02 . 1 . . . . . . . . 5226 1 135 . 1 1 14 14 ILE HG23 H 1 0.620 0.02 . 1 . . . . . . . . 5226 1 136 . 1 1 14 14 ILE HD11 H 1 0.313 0.02 . 1 . . . . . . . . 5226 1 137 . 1 1 14 14 ILE HD12 H 1 0.313 0.02 . 1 . . . . . . . . 5226 1 138 . 1 1 14 14 ILE HD13 H 1 0.313 0.02 . 1 . . . . . . . . 5226 1 139 . 1 1 14 14 ILE N N 15 126.926 0.07 . 1 . . . . . . . . 5226 1 140 . 1 1 14 14 ILE CA C 13 59.425 0.24 . 1 . . . . . . . . 5226 1 141 . 1 1 14 14 ILE C C 13 175.037 0.12 . 1 . . . . . . . . 5226 1 142 . 1 1 14 14 ILE CB C 13 34.458 0.27 . 1 . . . . . . . . 5226 1 143 . 1 1 14 14 ILE CG1 C 13 26.662 0.28 . 1 . . . . . . . . 5226 1 144 . 1 1 14 14 ILE CG2 C 13 18.415 0.28 . 1 . . . . . . . . 5226 1 145 . 1 1 14 14 ILE CD1 C 13 10.088 0.28 . 1 . . . . . . . . 5226 1 146 . 1 1 15 15 GLY H H 1 6.164 0.01 . 1 . . . . . . . . 5226 1 147 . 1 1 15 15 GLY HA2 H 1 3.906 0.02 . 1 . . . . . . . . 5226 1 148 . 1 1 15 15 GLY HA3 H 1 3.906 0.02 . 1 . . . . . . . . 5226 1 149 . 1 1 15 15 GLY N N 15 117.974 0.07 . 1 . . . . . . . . 5226 1 150 . 1 1 15 15 GLY CA C 13 45.786 0.24 . 1 . . . . . . . . 5226 1 151 . 1 1 15 15 GLY C C 13 174.592 0.12 . 1 . . . . . . . . 5226 1 152 . 1 1 16 16 LYS H H 1 8.695 0.01 . 1 . . . . . . . . 5226 1 153 . 1 1 16 16 LYS HA H 1 4.248 0.02 . 1 . . . . . . . . 5226 1 154 . 1 1 16 16 LYS HB2 H 1 1.822 0.02 . 2 . . . . . . . . 5226 1 155 . 1 1 16 16 LYS HB3 H 1 1.998 0.02 . 2 . . . . . . . . 5226 1 156 . 1 1 16 16 LYS HG2 H 1 1.483 0.02 . 1 . . . . . . . . 5226 1 157 . 1 1 16 16 LYS HG3 H 1 1.483 0.02 . 1 . . . . . . . . 5226 1 158 . 1 1 16 16 LYS HD2 H 1 1.711 0.02 . 1 . . . . . . . . 5226 1 159 . 1 1 16 16 LYS HD3 H 1 1.711 0.02 . 1 . . . . . . . . 5226 1 160 . 1 1 16 16 LYS HE2 H 1 3.016 0.02 . 1 . . . . . . . . 5226 1 161 . 1 1 16 16 LYS HE3 H 1 3.016 0.02 . 1 . . . . . . . . 5226 1 162 . 1 1 16 16 LYS N N 15 122.035 0.07 . 1 . . . . . . . . 5226 1 163 . 1 1 16 16 LYS CA C 13 57.490 0.24 . 1 . . . . . . . . 5226 1 164 . 1 1 16 16 LYS C C 13 177.242 0.12 . 1 . . . . . . . . 5226 1 165 . 1 1 16 16 LYS CB C 13 33.603 0.27 . 1 . . . . . . . . 5226 1 166 . 1 1 16 16 LYS CG C 13 25.014 0.28 . 1 . . . . . . . . 5226 1 167 . 1 1 16 16 LYS CD C 13 29.626 0.28 . 1 . . . . . . . . 5226 1 168 . 1 1 16 16 LYS CE C 13 42.189 0.28 . 1 . . . . . . . . 5226 1 169 . 1 1 17 17 LYS H H 1 7.976 0.01 . 1 . . . . . . . . 5226 1 170 . 1 1 17 17 LYS HA H 1 4.449 0.02 . 1 . . . . . . . . 5226 1 171 . 1 1 17 17 LYS HB2 H 1 1.523 0.02 . 2 . . . . . . . . 5226 1 172 . 1 1 17 17 LYS HB3 H 1 1.651 0.02 . 2 . . . . . . . . 5226 1 173 . 1 1 17 17 LYS HE2 H 1 2.995 0.02 . 1 . . . . . . . . 5226 1 174 . 1 1 17 17 LYS HE3 H 1 2.995 0.02 . 1 . . . . . . . . 5226 1 175 . 1 1 17 17 LYS N N 15 119.729 0.07 . 1 . . . . . . . . 5226 1 176 . 1 1 17 17 LYS CA C 13 56.153 0.24 . 1 . . . . . . . . 5226 1 177 . 1 1 17 17 LYS C C 13 173.225 0.12 . 1 . . . . . . . . 5226 1 178 . 1 1 17 17 LYS CB C 13 29.928 0.27 . 1 . . . . . . . . 5226 1 179 . 1 1 17 17 LYS CE C 13 42.331 0.28 . 1 . . . . . . . . 5226 1 180 . 1 1 18 18 PRO HA H 1 4.469 0.02 . 1 . . . . . . . . 5226 1 181 . 1 1 18 18 PRO HB2 H 1 1.800 0.02 . 2 . . . . . . . . 5226 1 182 . 1 1 18 18 PRO HB3 H 1 2.499 0.02 . 2 . . . . . . . . 5226 1 183 . 1 1 18 18 PRO HG2 H 1 2.060 0.02 . 1 . . . . . . . . 5226 1 184 . 1 1 18 18 PRO HG3 H 1 2.060 0.02 . 1 . . . . . . . . 5226 1 185 . 1 1 18 18 PRO HD2 H 1 3.432 0.02 . 2 . . . . . . . . 5226 1 186 . 1 1 18 18 PRO HD3 H 1 3.840 0.02 . 2 . . . . . . . . 5226 1 187 . 1 1 18 18 PRO N N 15 135.806 0.16 . 1 . . . . . . . . 5226 1 188 . 1 1 18 18 PRO CA C 13 63.544 0.24 . 1 . . . . . . . . 5226 1 189 . 1 1 18 18 PRO C C 13 177.705 0.12 . 1 . . . . . . . . 5226 1 190 . 1 1 18 18 PRO CB C 13 32.334 0.27 . 1 . . . . . . . . 5226 1 191 . 1 1 18 18 PRO CG C 13 28.285 0.28 . 1 . . . . . . . . 5226 1 192 . 1 1 18 18 PRO CD C 13 50.577 0.28 . 1 . . . . . . . . 5226 1 193 . 1 1 19 19 VAL H H 1 8.704 0.01 . 1 . . . . . . . . 5226 1 194 . 1 1 19 19 VAL HA H 1 3.939 0.02 . 1 . . . . . . . . 5226 1 195 . 1 1 19 19 VAL HB H 1 2.253 0.02 . 1 . . . . . . . . 5226 1 196 . 1 1 19 19 VAL HG11 H 1 1.180 0.02 . 2 . . . . . . . . 5226 1 197 . 1 1 19 19 VAL HG12 H 1 1.180 0.02 . 2 . . . . . . . . 5226 1 198 . 1 1 19 19 VAL HG13 H 1 1.180 0.02 . 2 . . . . . . . . 5226 1 199 . 1 1 19 19 VAL HG21 H 1 0.986 0.02 . 2 . . . . . . . . 5226 1 200 . 1 1 19 19 VAL HG22 H 1 0.986 0.02 . 2 . . . . . . . . 5226 1 201 . 1 1 19 19 VAL HG23 H 1 0.986 0.02 . 2 . . . . . . . . 5226 1 202 . 1 1 19 19 VAL N N 15 122.638 0.07 . 1 . . . . . . . . 5226 1 203 . 1 1 19 19 VAL CA C 13 66.746 0.24 . 1 . . . . . . . . 5226 1 204 . 1 1 19 19 VAL C C 13 177.150 0.12 . 1 . . . . . . . . 5226 1 205 . 1 1 19 19 VAL CB C 13 32.214 0.27 . 1 . . . . . . . . 5226 1 206 . 1 1 19 19 VAL CG1 C 13 24.151 0.28 . 2 . . . . . . . . 5226 1 207 . 1 1 19 19 VAL CG2 C 13 20.321 0.28 . 2 . . . . . . . . 5226 1 208 . 1 1 20 20 MET H H 1 8.642 0.01 . 1 . . . . . . . . 5226 1 209 . 1 1 20 20 MET HA H 1 4.464 0.02 . 1 . . . . . . . . 5226 1 210 . 1 1 20 20 MET HB2 H 1 2.088 0.02 . 2 . . . . . . . . 5226 1 211 . 1 1 20 20 MET HB3 H 1 2.018 0.02 . 2 . . . . . . . . 5226 1 212 . 1 1 20 20 MET HG2 H 1 2.696 0.02 . 2 . . . . . . . . 5226 1 213 . 1 1 20 20 MET HG3 H 1 2.769 0.02 . 2 . . . . . . . . 5226 1 214 . 1 1 20 20 MET N N 15 118.344 0.07 . 1 . . . . . . . . 5226 1 215 . 1 1 20 20 MET CA C 13 56.305 0.24 . 1 . . . . . . . . 5226 1 216 . 1 1 20 20 MET C C 13 178.095 0.12 . 1 . . . . . . . . 5226 1 217 . 1 1 20 20 MET CB C 13 29.749 0.27 . 1 . . . . . . . . 5226 1 218 . 1 1 20 20 MET CG C 13 32.651 0.28 . 1 . . . . . . . . 5226 1 219 . 1 1 21 21 ASN H H 1 7.977 0.01 . 1 . . . . . . . . 5226 1 220 . 1 1 21 21 ASN HA H 1 4.087 0.02 . 1 . . . . . . . . 5226 1 221 . 1 1 21 21 ASN HB2 H 1 2.120 0.02 . 2 . . . . . . . . 5226 1 222 . 1 1 21 21 ASN HB3 H 1 2.235 0.02 . 2 . . . . . . . . 5226 1 223 . 1 1 21 21 ASN HD21 H 1 7.065 0.02 . 2 . . . . . . . . 5226 1 224 . 1 1 21 21 ASN HD22 H 1 6.740 0.02 . 2 . . . . . . . . 5226 1 225 . 1 1 21 21 ASN N N 15 117.338 0.07 . 1 . . . . . . . . 5226 1 226 . 1 1 21 21 ASN ND2 N 15 112.406 0.07 . 1 . . . . . . . . 5226 1 227 . 1 1 21 21 ASN CA C 13 57.539 0.24 . 1 . . . . . . . . 5226 1 228 . 1 1 21 21 ASN C C 13 177.742 0.12 . 1 . . . . . . . . 5226 1 229 . 1 1 21 21 ASN CB C 13 38.407 0.27 . 1 . . . . . . . . 5226 1 230 . 1 1 22 22 TYR H H 1 7.186 0.01 . 1 . . . . . . . . 5226 1 231 . 1 1 22 22 TYR HA H 1 4.249 0.02 . 1 . . . . . . . . 5226 1 232 . 1 1 22 22 TYR HB2 H 1 2.921 0.02 . 2 . . . . . . . . 5226 1 233 . 1 1 22 22 TYR HB3 H 1 3.064 0.02 . 2 . . . . . . . . 5226 1 234 . 1 1 22 22 TYR HE1 H 1 7.070 0.02 . 1 . . . . . . . . 5226 1 235 . 1 1 22 22 TYR HE2 H 1 7.070 0.02 . 1 . . . . . . . . 5226 1 236 . 1 1 22 22 TYR N N 15 120.370 0.07 . 1 . . . . . . . . 5226 1 237 . 1 1 22 22 TYR CA C 13 60.721 0.24 . 1 . . . . . . . . 5226 1 238 . 1 1 22 22 TYR C C 13 177.177 0.12 . 1 . . . . . . . . 5226 1 239 . 1 1 22 22 TYR CB C 13 38.098 0.27 . 1 . . . . . . . . 5226 1 240 . 1 1 22 22 TYR CE1 C 13 120.118 0.28 . 1 . . . . . . . . 5226 1 241 . 1 1 22 22 TYR CE2 C 13 120.118 0.28 . 1 . . . . . . . . 5226 1 242 . 1 1 23 23 VAL H H 1 8.012 0.01 . 1 . . . . . . . . 5226 1 243 . 1 1 23 23 VAL HA H 1 3.357 0.02 . 1 . . . . . . . . 5226 1 244 . 1 1 23 23 VAL HB H 1 2.356 0.02 . 1 . . . . . . . . 5226 1 245 . 1 1 23 23 VAL HG11 H 1 0.735 0.02 . 2 . . . . . . . . 5226 1 246 . 1 1 23 23 VAL HG12 H 1 0.735 0.02 . 2 . . . . . . . . 5226 1 247 . 1 1 23 23 VAL HG13 H 1 0.735 0.02 . 2 . . . . . . . . 5226 1 248 . 1 1 23 23 VAL HG21 H 1 1.282 0.02 . 2 . . . . . . . . 5226 1 249 . 1 1 23 23 VAL HG22 H 1 1.282 0.02 . 2 . . . . . . . . 5226 1 250 . 1 1 23 23 VAL HG23 H 1 1.282 0.02 . 2 . . . . . . . . 5226 1 251 . 1 1 23 23 VAL N N 15 122.200 0.07 . 1 . . . . . . . . 5226 1 252 . 1 1 23 23 VAL CA C 13 66.398 0.24 . 1 . . . . . . . . 5226 1 253 . 1 1 23 23 VAL C C 13 177.640 0.12 . 1 . . . . . . . . 5226 1 254 . 1 1 23 23 VAL CB C 13 32.242 0.27 . 1 . . . . . . . . 5226 1 255 . 1 1 23 23 VAL CG1 C 13 21.129 0.28 . 2 . . . . . . . . 5226 1 256 . 1 1 23 23 VAL CG2 C 13 23.837 0.28 . 2 . . . . . . . . 5226 1 257 . 1 1 24 24 LEU H H 1 8.132 0.01 . 1 . . . . . . . . 5226 1 258 . 1 1 24 24 LEU HA H 1 3.895 0.02 . 1 . . . . . . . . 5226 1 259 . 1 1 24 24 LEU HB2 H 1 1.498 0.02 . 2 . . . . . . . . 5226 1 260 . 1 1 24 24 LEU HB3 H 1 1.718 0.02 . 2 . . . . . . . . 5226 1 261 . 1 1 24 24 LEU HG H 1 1.676 0.02 . 1 . . . . . . . . 5226 1 262 . 1 1 24 24 LEU HD11 H 1 0.723 0.02 . 2 . . . . . . . . 5226 1 263 . 1 1 24 24 LEU HD12 H 1 0.723 0.02 . 2 . . . . . . . . 5226 1 264 . 1 1 24 24 LEU HD13 H 1 0.723 0.02 . 2 . . . . . . . . 5226 1 265 . 1 1 24 24 LEU HD21 H 1 0.791 0.02 . 2 . . . . . . . . 5226 1 266 . 1 1 24 24 LEU HD22 H 1 0.791 0.02 . 2 . . . . . . . . 5226 1 267 . 1 1 24 24 LEU HD23 H 1 0.791 0.02 . 2 . . . . . . . . 5226 1 268 . 1 1 24 24 LEU N N 15 118.056 0.07 . 1 . . . . . . . . 5226 1 269 . 1 1 24 24 LEU CA C 13 57.954 0.24 . 1 . . . . . . . . 5226 1 270 . 1 1 24 24 LEU C C 13 180.204 0.12 . 1 . . . . . . . . 5226 1 271 . 1 1 24 24 LEU CB C 13 40.707 0.27 . 1 . . . . . . . . 5226 1 272 . 1 1 24 24 LEU CG C 13 27.391 0.28 . 1 . . . . . . . . 5226 1 273 . 1 1 24 24 LEU CD1 C 13 22.816 0.28 . 2 . . . . . . . . 5226 1 274 . 1 1 24 24 LEU CD2 C 13 24.468 0.28 . 2 . . . . . . . . 5226 1 275 . 1 1 25 25 ALA H H 1 7.521 0.01 . 1 . . . . . . . . 5226 1 276 . 1 1 25 25 ALA HA H 1 4.111 0.02 . 1 . . . . . . . . 5226 1 277 . 1 1 25 25 ALA HB1 H 1 1.607 0.02 . 1 . . . . . . . . 5226 1 278 . 1 1 25 25 ALA HB2 H 1 1.607 0.02 . 1 . . . . . . . . 5226 1 279 . 1 1 25 25 ALA HB3 H 1 1.607 0.02 . 1 . . . . . . . . 5226 1 280 . 1 1 25 25 ALA N N 15 123.889 0.07 . 1 . . . . . . . . 5226 1 281 . 1 1 25 25 ALA CA C 13 55.633 0.24 . 1 . . . . . . . . 5226 1 282 . 1 1 25 25 ALA C C 13 180.119 0.12 . 1 . . . . . . . . 5226 1 283 . 1 1 25 25 ALA CB C 13 18.176 0.27 . 1 . . . . . . . . 5226 1 284 . 1 1 26 26 ALA H H 1 8.127 0.01 . 1 . . . . . . . . 5226 1 285 . 1 1 26 26 ALA HA H 1 3.906 0.02 . 1 . . . . . . . . 5226 1 286 . 1 1 26 26 ALA HB1 H 1 1.350 0.02 . 1 . . . . . . . . 5226 1 287 . 1 1 26 26 ALA HB2 H 1 1.350 0.02 . 1 . . . . . . . . 5226 1 288 . 1 1 26 26 ALA HB3 H 1 1.350 0.02 . 1 . . . . . . . . 5226 1 289 . 1 1 26 26 ALA N N 15 120.875 0.07 . 1 . . . . . . . . 5226 1 290 . 1 1 26 26 ALA CA C 13 55.205 0.24 . 1 . . . . . . . . 5226 1 291 . 1 1 26 26 ALA C C 13 178.848 0.12 . 1 . . . . . . . . 5226 1 292 . 1 1 26 26 ALA CB C 13 17.586 0.27 . 1 . . . . . . . . 5226 1 293 . 1 1 27 27 LEU H H 1 8.583 0.01 . 1 . . . . . . . . 5226 1 294 . 1 1 27 27 LEU HA H 1 3.884 0.02 . 1 . . . . . . . . 5226 1 295 . 1 1 27 27 LEU HB2 H 1 1.435 0.02 . 2 . . . . . . . . 5226 1 296 . 1 1 27 27 LEU HB3 H 1 1.749 0.02 . 2 . . . . . . . . 5226 1 297 . 1 1 27 27 LEU HG H 1 0.762 0.02 . 1 . . . . . . . . 5226 1 298 . 1 1 27 27 LEU HD11 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 299 . 1 1 27 27 LEU HD12 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 300 . 1 1 27 27 LEU HD13 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 301 . 1 1 27 27 LEU HD21 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 302 . 1 1 27 27 LEU HD22 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 303 . 1 1 27 27 LEU HD23 H 1 0.465 0.02 . 1 . . . . . . . . 5226 1 304 . 1 1 27 27 LEU N N 15 117.475 0.07 . 1 . . . . . . . . 5226 1 305 . 1 1 27 27 LEU CA C 13 57.966 0.24 . 1 . . . . . . . . 5226 1 306 . 1 1 27 27 LEU C C 13 179.048 0.12 . 1 . . . . . . . . 5226 1 307 . 1 1 27 27 LEU CB C 13 41.575 0.27 . 1 . . . . . . . . 5226 1 308 . 1 1 27 27 LEU CG C 13 23.588 0.28 . 1 . . . . . . . . 5226 1 309 . 1 1 27 27 LEU CD1 C 13 25.880 0.28 . 1 . . . . . . . . 5226 1 310 . 1 1 27 27 LEU CD2 C 13 25.880 0.28 . 1 . . . . . . . . 5226 1 311 . 1 1 28 28 THR H H 1 8.272 0.01 . 1 . . . . . . . . 5226 1 312 . 1 1 28 28 THR HA H 1 3.887 0.02 . 1 . . . . . . . . 5226 1 313 . 1 1 28 28 THR HB H 1 4.284 0.02 . 1 . . . . . . . . 5226 1 314 . 1 1 28 28 THR HG21 H 1 1.183 0.02 . 1 . . . . . . . . 5226 1 315 . 1 1 28 28 THR HG22 H 1 1.183 0.02 . 1 . . . . . . . . 5226 1 316 . 1 1 28 28 THR HG23 H 1 1.183 0.02 . 1 . . . . . . . . 5226 1 317 . 1 1 28 28 THR N N 15 116.672 0.07 . 1 . . . . . . . . 5226 1 318 . 1 1 28 28 THR CA C 13 67.239 0.24 . 1 . . . . . . . . 5226 1 319 . 1 1 28 28 THR C C 13 176.330 0.12 . 1 . . . . . . . . 5226 1 320 . 1 1 28 28 THR CB C 13 68.709 0.27 . 1 . . . . . . . . 5226 1 321 . 1 1 28 28 THR CG2 C 13 21.130 0.28 . 1 . . . . . . . . 5226 1 322 . 1 1 29 29 LEU H H 1 7.201 0.01 . 1 . . . . . . . . 5226 1 323 . 1 1 29 29 LEU HA H 1 4.040 0.02 . 1 . . . . . . . . 5226 1 324 . 1 1 29 29 LEU HB2 H 1 1.233 0.02 . 2 . . . . . . . . 5226 1 325 . 1 1 29 29 LEU HB3 H 1 1.986 0.02 . 2 . . . . . . . . 5226 1 326 . 1 1 29 29 LEU HG H 1 1.800 0.02 . 1 . . . . . . . . 5226 1 327 . 1 1 29 29 LEU HD11 H 1 0.816 0.02 . 2 . . . . . . . . 5226 1 328 . 1 1 29 29 LEU HD12 H 1 0.816 0.02 . 2 . . . . . . . . 5226 1 329 . 1 1 29 29 LEU HD13 H 1 0.816 0.02 . 2 . . . . . . . . 5226 1 330 . 1 1 29 29 LEU HD21 H 1 0.888 0.02 . 2 . . . . . . . . 5226 1 331 . 1 1 29 29 LEU HD22 H 1 0.888 0.02 . 2 . . . . . . . . 5226 1 332 . 1 1 29 29 LEU HD23 H 1 0.888 0.02 . 2 . . . . . . . . 5226 1 333 . 1 1 29 29 LEU N N 15 121.258 0.07 . 1 . . . . . . . . 5226 1 334 . 1 1 29 29 LEU CA C 13 58.302 0.24 . 1 . . . . . . . . 5226 1 335 . 1 1 29 29 LEU C C 13 179.195 0.12 . 1 . . . . . . . . 5226 1 336 . 1 1 29 29 LEU CB C 13 42.541 0.27 . 1 . . . . . . . . 5226 1 337 . 1 1 29 29 LEU CG C 13 27.210 0.28 . 1 . . . . . . . . 5226 1 338 . 1 1 29 29 LEU CD1 C 13 25.978 0.28 . 2 . . . . . . . . 5226 1 339 . 1 1 29 29 LEU CD2 C 13 23.145 0.28 . 2 . . . . . . . . 5226 1 340 . 1 1 30 30 LEU H H 1 8.049 0.01 . 1 . . . . . . . . 5226 1 341 . 1 1 30 30 LEU HA H 1 4.289 0.02 . 1 . . . . . . . . 5226 1 342 . 1 1 30 30 LEU HB2 H 1 1.248 0.02 . 2 . . . . . . . . 5226 1 343 . 1 1 30 30 LEU HB3 H 1 1.872 0.02 . 2 . . . . . . . . 5226 1 344 . 1 1 30 30 LEU HG H 1 1.788 0.02 . 1 . . . . . . . . 5226 1 345 . 1 1 30 30 LEU HD11 H 1 0.616 0.02 . 2 . . . . . . . . 5226 1 346 . 1 1 30 30 LEU HD12 H 1 0.616 0.02 . 2 . . . . . . . . 5226 1 347 . 1 1 30 30 LEU HD13 H 1 0.616 0.02 . 2 . . . . . . . . 5226 1 348 . 1 1 30 30 LEU HD21 H 1 0.758 0.02 . 2 . . . . . . . . 5226 1 349 . 1 1 30 30 LEU HD22 H 1 0.758 0.02 . 2 . . . . . . . . 5226 1 350 . 1 1 30 30 LEU HD23 H 1 0.758 0.02 . 2 . . . . . . . . 5226 1 351 . 1 1 30 30 LEU N N 15 119.254 0.07 . 1 . . . . . . . . 5226 1 352 . 1 1 30 30 LEU CA C 13 57.763 0.24 . 1 . . . . . . . . 5226 1 353 . 1 1 30 30 LEU C C 13 180.952 0.12 . 1 . . . . . . . . 5226 1 354 . 1 1 30 30 LEU CB C 13 41.989 0.27 . 1 . . . . . . . . 5226 1 355 . 1 1 30 30 LEU CG C 13 27.047 0.28 . 1 . . . . . . . . 5226 1 356 . 1 1 30 30 LEU CD1 C 13 26.300 0.28 . 2 . . . . . . . . 5226 1 357 . 1 1 30 30 LEU CD2 C 13 23.101 0.28 . 2 . . . . . . . . 5226 1 358 . 1 1 31 31 ASN H H 1 8.572 0.01 . 1 . . . . . . . . 5226 1 359 . 1 1 31 31 ASN HA H 1 4.649 0.02 . 1 . . . . . . . . 5226 1 360 . 1 1 31 31 ASN HB2 H 1 2.913 0.02 . 1 . . . . . . . . 5226 1 361 . 1 1 31 31 ASN HB3 H 1 2.913 0.02 . 1 . . . . . . . . 5226 1 362 . 1 1 31 31 ASN HD21 H 1 7.452 0.02 . 2 . . . . . . . . 5226 1 363 . 1 1 31 31 ASN HD22 H 1 6.698 0.02 . 2 . . . . . . . . 5226 1 364 . 1 1 31 31 ASN N N 15 118.787 0.07 . 1 . . . . . . . . 5226 1 365 . 1 1 31 31 ASN ND2 N 15 110.782 0.07 . 1 . . . . . . . . 5226 1 366 . 1 1 31 31 ASN CA C 13 55.024 0.24 . 1 . . . . . . . . 5226 1 367 . 1 1 31 31 ASN C C 13 176.804 0.12 . 1 . . . . . . . . 5226 1 368 . 1 1 31 31 ASN CB C 13 38.389 0.27 . 1 . . . . . . . . 5226 1 369 . 1 1 32 32 GLN H H 1 7.770 0.01 . 1 . . . . . . . . 5226 1 370 . 1 1 32 32 GLN HA H 1 4.456 0.02 . 1 . . . . . . . . 5226 1 371 . 1 1 32 32 GLN HB2 H 1 2.288 0.02 . 1 . . . . . . . . 5226 1 372 . 1 1 32 32 GLN HB3 H 1 2.288 0.02 . 1 . . . . . . . . 5226 1 373 . 1 1 32 32 GLN HG2 H 1 2.598 0.02 . 2 . . . . . . . . 5226 1 374 . 1 1 32 32 GLN HG3 H 1 2.545 0.02 . 2 . . . . . . . . 5226 1 375 . 1 1 32 32 GLN HE21 H 1 7.164 0.02 . 2 . . . . . . . . 5226 1 376 . 1 1 32 32 GLN HE22 H 1 6.656 0.02 . 2 . . . . . . . . 5226 1 377 . 1 1 32 32 GLN N N 15 119.315 0.07 . 1 . . . . . . . . 5226 1 378 . 1 1 32 32 GLN NE2 N 15 109.993 0.07 . 1 . . . . . . . . 5226 1 379 . 1 1 32 32 GLN CA C 13 56.153 0.24 . 1 . . . . . . . . 5226 1 380 . 1 1 32 32 GLN C C 13 176.372 0.12 . 1 . . . . . . . . 5226 1 381 . 1 1 32 32 GLN CB C 13 29.004 0.27 . 1 . . . . . . . . 5226 1 382 . 1 1 32 32 GLN CG C 13 34.363 0.28 . 1 . . . . . . . . 5226 1 383 . 1 1 33 33 GLY H H 1 7.687 0.01 . 1 . . . . . . . . 5226 1 384 . 1 1 33 33 GLY HA2 H 1 3.704 0.02 . 2 . . . . . . . . 5226 1 385 . 1 1 33 33 GLY HA3 H 1 4.272 0.02 . 2 . . . . . . . . 5226 1 386 . 1 1 33 33 GLY N N 15 106.695 0.07 . 1 . . . . . . . . 5226 1 387 . 1 1 33 33 GLY CA C 13 45.684 0.24 . 1 . . . . . . . . 5226 1 388 . 1 1 33 33 GLY C C 13 174.467 0.12 . 1 . . . . . . . . 5226 1 389 . 1 1 34 34 VAL H H 1 7.450 0.01 . 1 . . . . . . . . 5226 1 390 . 1 1 34 34 VAL HA H 1 4.025 0.02 . 1 . . . . . . . . 5226 1 391 . 1 1 34 34 VAL HB H 1 1.886 0.02 . 1 . . . . . . . . 5226 1 392 . 1 1 34 34 VAL HG11 H 1 0.883 0.02 . 2 . . . . . . . . 5226 1 393 . 1 1 34 34 VAL HG12 H 1 0.883 0.02 . 2 . . . . . . . . 5226 1 394 . 1 1 34 34 VAL HG13 H 1 0.883 0.02 . 2 . . . . . . . . 5226 1 395 . 1 1 34 34 VAL HG21 H 1 0.943 0.02 . 2 . . . . . . . . 5226 1 396 . 1 1 34 34 VAL HG22 H 1 0.943 0.02 . 2 . . . . . . . . 5226 1 397 . 1 1 34 34 VAL HG23 H 1 0.943 0.02 . 2 . . . . . . . . 5226 1 398 . 1 1 34 34 VAL N N 15 122.352 0.07 . 1 . . . . . . . . 5226 1 399 . 1 1 34 34 VAL CA C 13 62.781 0.24 . 1 . . . . . . . . 5226 1 400 . 1 1 34 34 VAL C C 13 175.783 0.12 . 1 . . . . . . . . 5226 1 401 . 1 1 34 34 VAL CB C 13 31.183 0.27 . 1 . . . . . . . . 5226 1 402 . 1 1 34 34 VAL CG1 C 13 21.169 0.28 . 2 . . . . . . . . 5226 1 403 . 1 1 34 34 VAL CG2 C 13 22.566 0.28 . 2 . . . . . . . . 5226 1 404 . 1 1 35 35 SER H H 1 8.266 0.01 . 1 . . . . . . . . 5226 1 405 . 1 1 35 35 SER HA H 1 4.236 0.02 . 1 . . . . . . . . 5226 1 406 . 1 1 35 35 SER HB2 H 1 3.968 0.02 . 1 . . . . . . . . 5226 1 407 . 1 1 35 35 SER HB3 H 1 3.968 0.02 . 1 . . . . . . . . 5226 1 408 . 1 1 35 35 SER N N 15 119.686 0.07 . 1 . . . . . . . . 5226 1 409 . 1 1 35 35 SER CA C 13 60.721 0.24 . 1 . . . . . . . . 5226 1 410 . 1 1 35 35 SER C C 13 173.334 0.12 . 1 . . . . . . . . 5226 1 411 . 1 1 35 35 SER CB C 13 64.023 0.27 . 1 . . . . . . . . 5226 1 412 . 1 1 36 36 GLU H H 1 7.316 0.01 . 1 . . . . . . . . 5226 1 413 . 1 1 36 36 GLU HA H 1 5.292 0.02 . 1 . . . . . . . . 5226 1 414 . 1 1 36 36 GLU HB2 H 1 1.889 0.02 . 1 . . . . . . . . 5226 1 415 . 1 1 36 36 GLU HB3 H 1 1.889 0.02 . 1 . . . . . . . . 5226 1 416 . 1 1 36 36 GLU HG2 H 1 2.083 0.02 . 1 . . . . . . . . 5226 1 417 . 1 1 36 36 GLU HG3 H 1 2.083 0.02 . 1 . . . . . . . . 5226 1 418 . 1 1 36 36 GLU N N 15 119.453 0.07 . 1 . . . . . . . . 5226 1 419 . 1 1 36 36 GLU CA C 13 55.127 0.24 . 1 . . . . . . . . 5226 1 420 . 1 1 36 36 GLU C C 13 175.294 0.12 . 1 . . . . . . . . 5226 1 421 . 1 1 36 36 GLU CB C 13 32.954 0.27 . 1 . . . . . . . . 5226 1 422 . 1 1 36 36 GLU CG C 13 36.416 0.28 . 1 . . . . . . . . 5226 1 423 . 1 1 37 37 ILE H H 1 8.589 0.01 . 1 . . . . . . . . 5226 1 424 . 1 1 37 37 ILE HA H 1 4.985 0.02 . 1 . . . . . . . . 5226 1 425 . 1 1 37 37 ILE HB H 1 1.705 0.02 . 1 . . . . . . . . 5226 1 426 . 1 1 37 37 ILE HG12 H 1 0.915 0.02 . 2 . . . . . . . . 5226 1 427 . 1 1 37 37 ILE HG13 H 1 1.301 0.02 . 2 . . . . . . . . 5226 1 428 . 1 1 37 37 ILE HG21 H 1 0.796 0.02 . 1 . . . . . . . . 5226 1 429 . 1 1 37 37 ILE HG22 H 1 0.796 0.02 . 1 . . . . . . . . 5226 1 430 . 1 1 37 37 ILE HG23 H 1 0.796 0.02 . 1 . . . . . . . . 5226 1 431 . 1 1 37 37 ILE HD11 H 1 0.785 0.02 . 1 . . . . . . . . 5226 1 432 . 1 1 37 37 ILE HD12 H 1 0.785 0.02 . 1 . . . . . . . . 5226 1 433 . 1 1 37 37 ILE HD13 H 1 0.785 0.02 . 1 . . . . . . . . 5226 1 434 . 1 1 37 37 ILE N N 15 120.182 0.07 . 1 . . . . . . . . 5226 1 435 . 1 1 37 37 ILE CA C 13 58.925 0.24 . 1 . . . . . . . . 5226 1 436 . 1 1 37 37 ILE C C 13 173.806 0.12 . 1 . . . . . . . . 5226 1 437 . 1 1 37 37 ILE CB C 13 41.984 0.27 . 1 . . . . . . . . 5226 1 438 . 1 1 37 37 ILE CG1 C 13 27.126 0.28 . 1 . . . . . . . . 5226 1 439 . 1 1 37 37 ILE CG2 C 13 18.553 0.28 . 1 . . . . . . . . 5226 1 440 . 1 1 37 37 ILE CD1 C 13 15.348 0.28 . 1 . . . . . . . . 5226 1 441 . 1 1 38 38 VAL H H 1 8.525 0.01 . 1 . . . . . . . . 5226 1 442 . 1 1 38 38 VAL HA H 1 4.832 0.02 . 1 . . . . . . . . 5226 1 443 . 1 1 38 38 VAL HB H 1 1.824 0.02 . 1 . . . . . . . . 5226 1 444 . 1 1 38 38 VAL HG11 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 445 . 1 1 38 38 VAL HG12 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 446 . 1 1 38 38 VAL HG13 H 1 0.748 0.02 . 2 . . . . . . . . 5226 1 447 . 1 1 38 38 VAL HG21 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 448 . 1 1 38 38 VAL HG22 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 449 . 1 1 38 38 VAL HG23 H 1 0.852 0.02 . 2 . . . . . . . . 5226 1 450 . 1 1 38 38 VAL N N 15 123.099 0.07 . 1 . . . . . . . . 5226 1 451 . 1 1 38 38 VAL CA C 13 61.037 0.24 . 1 . . . . . . . . 5226 1 452 . 1 1 38 38 VAL C C 13 174.208 0.12 . 1 . . . . . . . . 5226 1 453 . 1 1 38 38 VAL CB C 13 34.632 0.27 . 1 . . . . . . . . 5226 1 454 . 1 1 38 38 VAL CG1 C 13 21.454 0.28 . 1 . . . . . . . . 5226 1 455 . 1 1 38 38 VAL CG2 C 13 21.454 0.28 . 1 . . . . . . . . 5226 1 456 . 1 1 39 39 ILE H H 1 9.257 0.01 . 1 . . . . . . . . 5226 1 457 . 1 1 39 39 ILE HA H 1 4.823 0.02 . 1 . . . . . . . . 5226 1 458 . 1 1 39 39 ILE HB H 1 1.869 0.02 . 1 . . . . . . . . 5226 1 459 . 1 1 39 39 ILE HG12 H 1 1.264 0.02 . 2 . . . . . . . . 5226 1 460 . 1 1 39 39 ILE HG13 H 1 1.412 0.02 . 2 . . . . . . . . 5226 1 461 . 1 1 39 39 ILE HG21 H 1 0.853 0.02 . 1 . . . . . . . . 5226 1 462 . 1 1 39 39 ILE HG22 H 1 0.853 0.02 . 1 . . . . . . . . 5226 1 463 . 1 1 39 39 ILE HG23 H 1 0.853 0.02 . 1 . . . . . . . . 5226 1 464 . 1 1 39 39 ILE HD11 H 1 0.734 0.02 . 1 . . . . . . . . 5226 1 465 . 1 1 39 39 ILE HD12 H 1 0.734 0.02 . 1 . . . . . . . . 5226 1 466 . 1 1 39 39 ILE HD13 H 1 0.734 0.02 . 1 . . . . . . . . 5226 1 467 . 1 1 39 39 ILE N N 15 129.621 0.07 . 1 . . . . . . . . 5226 1 468 . 1 1 39 39 ILE CA C 13 59.730 0.24 . 1 . . . . . . . . 5226 1 469 . 1 1 39 39 ILE C C 13 175.190 0.12 . 1 . . . . . . . . 5226 1 470 . 1 1 39 39 ILE CB C 13 38.637 0.27 . 1 . . . . . . . . 5226 1 471 . 1 1 39 39 ILE CG1 C 13 28.898 0.28 . 1 . . . . . . . . 5226 1 472 . 1 1 39 39 ILE CG2 C 13 18.655 0.28 . 1 . . . . . . . . 5226 1 473 . 1 1 39 39 ILE CD1 C 13 12.948 0.28 . 1 . . . . . . . . 5226 1 474 . 1 1 40 40 LYS H H 1 8.574 0.01 . 1 . . . . . . . . 5226 1 475 . 1 1 40 40 LYS HA H 1 5.357 0.02 . 1 . . . . . . . . 5226 1 476 . 1 1 40 40 LYS HB2 H 1 1.779 0.02 . 2 . . . . . . . . 5226 1 477 . 1 1 40 40 LYS HB3 H 1 1.500 0.02 . 2 . . . . . . . . 5226 1 478 . 1 1 40 40 LYS HG2 H 1 1.134 0.02 . 2 . . . . . . . . 5226 1 479 . 1 1 40 40 LYS HG3 H 1 1.340 0.02 . 2 . . . . . . . . 5226 1 480 . 1 1 40 40 LYS HD2 H 1 1.524 0.02 . 1 . . . . . . . . 5226 1 481 . 1 1 40 40 LYS HD3 H 1 1.524 0.02 . 1 . . . . . . . . 5226 1 482 . 1 1 40 40 LYS HE2 H 1 2.726 0.02 . 1 . . . . . . . . 5226 1 483 . 1 1 40 40 LYS HE3 H 1 2.726 0.02 . 1 . . . . . . . . 5226 1 484 . 1 1 40 40 LYS N N 15 126.988 0.07 . 1 . . . . . . . . 5226 1 485 . 1 1 40 40 LYS CA C 13 54.718 0.24 . 1 . . . . . . . . 5226 1 486 . 1 1 40 40 LYS C C 13 174.151 0.12 . 1 . . . . . . . . 5226 1 487 . 1 1 40 40 LYS CB C 13 37.327 0.27 . 1 . . . . . . . . 5226 1 488 . 1 1 40 40 LYS CG C 13 26.075 0.28 . 1 . . . . . . . . 5226 1 489 . 1 1 40 40 LYS CD C 13 30.138 0.28 . 1 . . . . . . . . 5226 1 490 . 1 1 40 40 LYS CE C 13 42.008 0.28 . 1 . . . . . . . . 5226 1 491 . 1 1 41 41 ALA H H 1 8.392 0.01 . 1 . . . . . . . . 5226 1 492 . 1 1 41 41 ALA HA H 1 4.658 0.02 . 1 . . . . . . . . 5226 1 493 . 1 1 41 41 ALA HB1 H 1 1.062 0.02 . 1 . . . . . . . . 5226 1 494 . 1 1 41 41 ALA HB2 H 1 1.062 0.02 . 1 . . . . . . . . 5226 1 495 . 1 1 41 41 ALA HB3 H 1 1.062 0.02 . 1 . . . . . . . . 5226 1 496 . 1 1 41 41 ALA N N 15 121.411 0.07 . 1 . . . . . . . . 5226 1 497 . 1 1 41 41 ALA CA C 13 50.883 0.24 . 1 . . . . . . . . 5226 1 498 . 1 1 41 41 ALA C C 13 174.606 0.12 . 1 . . . . . . . . 5226 1 499 . 1 1 41 41 ALA CB C 13 26.006 0.27 . 1 . . . . . . . . 5226 1 500 . 1 1 42 42 ARG H H 1 8.419 0.01 . 1 . . . . . . . . 5226 1 501 . 1 1 42 42 ARG HA H 1 5.240 0.02 . 1 . . . . . . . . 5226 1 502 . 1 1 42 42 ARG HB2 H 1 1.714 0.02 . 1 . . . . . . . . 5226 1 503 . 1 1 42 42 ARG HB3 H 1 1.714 0.02 . 1 . . . . . . . . 5226 1 504 . 1 1 42 42 ARG HG2 H 1 1.455 0.02 . 2 . . . . . . . . 5226 1 505 . 1 1 42 42 ARG HG3 H 1 1.519 0.02 . 2 . . . . . . . . 5226 1 506 . 1 1 42 42 ARG HD2 H 1 3.017 0.02 . 1 . . . . . . . . 5226 1 507 . 1 1 42 42 ARG HD3 H 1 3.017 0.02 . 1 . . . . . . . . 5226 1 508 . 1 1 42 42 ARG N N 15 117.476 0.07 . 1 . . . . . . . . 5226 1 509 . 1 1 42 42 ARG CA C 13 53.792 0.24 . 1 . . . . . . . . 5226 1 510 . 1 1 42 42 ARG C C 13 176.686 0.12 . 1 . . . . . . . . 5226 1 511 . 1 1 42 42 ARG CB C 13 34.359 0.27 . 1 . . . . . . . . 5226 1 512 . 1 1 42 42 ARG CG C 13 26.708 0.28 . 1 . . . . . . . . 5226 1 513 . 1 1 42 42 ARG CD C 13 44.021 0.28 . 1 . . . . . . . . 5226 1 514 . 1 1 43 43 GLY H H 1 9.113 0.01 . 1 . . . . . . . . 5226 1 515 . 1 1 43 43 GLY HA2 H 1 3.950 0.02 . 2 . . . . . . . . 5226 1 516 . 1 1 43 43 GLY HA3 H 1 4.026 0.02 . 2 . . . . . . . . 5226 1 517 . 1 1 43 43 GLY N N 15 110.470 0.07 . 1 . . . . . . . . 5226 1 518 . 1 1 43 43 GLY CA C 13 46.556 0.24 . 1 . . . . . . . . 5226 1 519 . 1 1 43 43 GLY C C 13 175.785 0.12 . 1 . . . . . . . . 5226 1 520 . 1 1 44 44 ARG H H 1 8.956 0.01 . 1 . . . . . . . . 5226 1 521 . 1 1 44 44 ARG HA H 1 4.120 0.02 . 1 . . . . . . . . 5226 1 522 . 1 1 44 44 ARG HB2 H 1 1.959 0.02 . 1 . . . . . . . . 5226 1 523 . 1 1 44 44 ARG HB3 H 1 1.959 0.02 . 1 . . . . . . . . 5226 1 524 . 1 1 44 44 ARG HG2 H 1 1.760 0.02 . 2 . . . . . . . . 5226 1 525 . 1 1 44 44 ARG HG3 H 1 1.834 0.02 . 2 . . . . . . . . 5226 1 526 . 1 1 44 44 ARG HD2 H 1 3.275 0.02 . 1 . . . . . . . . 5226 1 527 . 1 1 44 44 ARG HD3 H 1 3.275 0.02 . 1 . . . . . . . . 5226 1 528 . 1 1 44 44 ARG N N 15 125.141 0.07 . 1 . . . . . . . . 5226 1 529 . 1 1 44 44 ARG CA C 13 58.514 0.24 . 1 . . . . . . . . 5226 1 530 . 1 1 44 44 ARG C C 13 178.100 0.12 . 1 . . . . . . . . 5226 1 531 . 1 1 44 44 ARG CB C 13 30.140 0.27 . 1 . . . . . . . . 5226 1 532 . 1 1 44 44 ARG CG C 13 27.944 0.28 . 1 . . . . . . . . 5226 1 533 . 1 1 44 44 ARG CD C 13 43.568 0.28 . 1 . . . . . . . . 5226 1 534 . 1 1 45 45 ALA H H 1 7.734 0.01 . 1 . . . . . . . . 5226 1 535 . 1 1 45 45 ALA HA H 1 4.249 0.02 . 1 . . . . . . . . 5226 1 536 . 1 1 45 45 ALA HB1 H 1 1.525 0.02 . 1 . . . . . . . . 5226 1 537 . 1 1 45 45 ALA HB2 H 1 1.525 0.02 . 1 . . . . . . . . 5226 1 538 . 1 1 45 45 ALA HB3 H 1 1.525 0.02 . 1 . . . . . . . . 5226 1 539 . 1 1 45 45 ALA N N 15 120.418 0.07 . 1 . . . . . . . . 5226 1 540 . 1 1 45 45 ALA CA C 13 53.331 0.24 . 1 . . . . . . . . 5226 1 541 . 1 1 45 45 ALA C C 13 177.514 0.12 . 1 . . . . . . . . 5226 1 542 . 1 1 45 45 ALA CB C 13 18.531 0.27 . 1 . . . . . . . . 5226 1 543 . 1 1 46 46 ILE H H 1 8.010 0.01 . 1 . . . . . . . . 5226 1 544 . 1 1 46 46 ILE HA H 1 3.255 0.02 . 1 . . . . . . . . 5226 1 545 . 1 1 46 46 ILE HB H 1 1.602 0.02 . 1 . . . . . . . . 5226 1 546 . 1 1 46 46 ILE HG12 H 1 1.610 0.02 . 2 . . . . . . . . 5226 1 547 . 1 1 46 46 ILE HG13 H 1 0.625 0.02 . 2 . . . . . . . . 5226 1 548 . 1 1 46 46 ILE HG21 H 1 0.635 0.02 . 1 . . . . . . . . 5226 1 549 . 1 1 46 46 ILE HG22 H 1 0.635 0.02 . 1 . . . . . . . . 5226 1 550 . 1 1 46 46 ILE HG23 H 1 0.635 0.02 . 1 . . . . . . . . 5226 1 551 . 1 1 46 46 ILE HD11 H 1 0.643 0.02 . 1 . . . . . . . . 5226 1 552 . 1 1 46 46 ILE HD12 H 1 0.643 0.02 . 1 . . . . . . . . 5226 1 553 . 1 1 46 46 ILE HD13 H 1 0.643 0.02 . 1 . . . . . . . . 5226 1 554 . 1 1 46 46 ILE N N 15 121.540 0.07 . 1 . . . . . . . . 5226 1 555 . 1 1 46 46 ILE CA C 13 66.501 0.24 . 1 . . . . . . . . 5226 1 556 . 1 1 46 46 ILE C C 13 177.847 0.12 . 1 . . . . . . . . 5226 1 557 . 1 1 46 46 ILE CB C 13 38.060 0.27 . 1 . . . . . . . . 5226 1 558 . 1 1 46 46 ILE CG1 C 13 30.152 0.28 . 1 . . . . . . . . 5226 1 559 . 1 1 46 46 ILE CG2 C 13 16.627 0.28 . 1 . . . . . . . . 5226 1 560 . 1 1 46 46 ILE CD1 C 13 14.047 0.28 . 1 . . . . . . . . 5226 1 561 . 1 1 47 47 SER H H 1 7.484 0.01 . 1 . . . . . . . . 5226 1 562 . 1 1 47 47 SER HA H 1 3.929 0.02 . 1 . . . . . . . . 5226 1 563 . 1 1 47 47 SER HB2 H 1 3.741 0.02 . 1 . . . . . . . . 5226 1 564 . 1 1 47 47 SER HB3 H 1 3.741 0.02 . 1 . . . . . . . . 5226 1 565 . 1 1 47 47 SER N N 15 113.328 0.07 . 1 . . . . . . . . 5226 1 566 . 1 1 47 47 SER CA C 13 62.569 0.24 . 1 . . . . . . . . 5226 1 567 . 1 1 47 47 SER C C 13 174.565 0.12 . 1 . . . . . . . . 5226 1 568 . 1 1 47 47 SER CB C 13 62.537 0.27 . 1 . . . . . . . . 5226 1 569 . 1 1 48 48 LYS H H 1 6.741 0.01 . 1 . . . . . . . . 5226 1 570 . 1 1 48 48 LYS HA H 1 4.256 0.02 . 1 . . . . . . . . 5226 1 571 . 1 1 48 48 LYS HB2 H 1 1.795 0.02 . 2 . . . . . . . . 5226 1 572 . 1 1 48 48 LYS HB3 H 1 2.028 0.02 . 2 . . . . . . . . 5226 1 573 . 1 1 48 48 LYS HG2 H 1 1.747 0.02 . 2 . . . . . . . . 5226 1 574 . 1 1 48 48 LYS HG3 H 1 1.425 0.02 . 2 . . . . . . . . 5226 1 575 . 1 1 48 48 LYS HD2 H 1 1.774 0.02 . 1 . . . . . . . . 5226 1 576 . 1 1 48 48 LYS HD3 H 1 1.774 0.02 . 1 . . . . . . . . 5226 1 577 . 1 1 48 48 LYS HE2 H 1 2.981 0.02 . 2 . . . . . . . . 5226 1 578 . 1 1 48 48 LYS HE3 H 1 3.082 0.02 . 2 . . . . . . . . 5226 1 579 . 1 1 48 48 LYS N N 15 122.985 0.07 . 1 . . . . . . . . 5226 1 580 . 1 1 48 48 LYS CA C 13 58.473 0.24 . 1 . . . . . . . . 5226 1 581 . 1 1 48 48 LYS C C 13 179.631 0.12 . 1 . . . . . . . . 5226 1 582 . 1 1 48 48 LYS CB C 13 32.665 0.27 . 1 . . . . . . . . 5226 1 583 . 1 1 48 48 LYS CG C 13 25.094 0.28 . 1 . . . . . . . . 5226 1 584 . 1 1 48 48 LYS CD C 13 30.093 0.28 . 1 . . . . . . . . 5226 1 585 . 1 1 48 48 LYS CE C 13 41.776 0.28 . 1 . . . . . . . . 5226 1 586 . 1 1 49 49 ALA H H 1 8.032 0.01 . 1 . . . . . . . . 5226 1 587 . 1 1 49 49 ALA HA H 1 3.783 0.02 . 1 . . . . . . . . 5226 1 588 . 1 1 49 49 ALA HB1 H 1 1.268 0.02 . 1 . . . . . . . . 5226 1 589 . 1 1 49 49 ALA HB2 H 1 1.268 0.02 . 1 . . . . . . . . 5226 1 590 . 1 1 49 49 ALA HB3 H 1 1.268 0.02 . 1 . . . . . . . . 5226 1 591 . 1 1 49 49 ALA N N 15 125.077 0.07 . 1 . . . . . . . . 5226 1 592 . 1 1 49 49 ALA CA C 13 55.502 0.24 . 1 . . . . . . . . 5226 1 593 . 1 1 49 49 ALA C C 13 178.091 0.12 . 1 . . . . . . . . 5226 1 594 . 1 1 49 49 ALA CB C 13 18.547 0.27 . 1 . . . . . . . . 5226 1 595 . 1 1 50 50 VAL H H 1 7.273 0.01 . 1 . . . . . . . . 5226 1 596 . 1 1 50 50 VAL HA H 1 3.369 0.02 . 1 . . . . . . . . 5226 1 597 . 1 1 50 50 VAL HB H 1 2.107 0.02 . 1 . . . . . . . . 5226 1 598 . 1 1 50 50 VAL HG11 H 1 0.907 0.02 . 2 . . . . . . . . 5226 1 599 . 1 1 50 50 VAL HG12 H 1 0.907 0.02 . 2 . . . . . . . . 5226 1 600 . 1 1 50 50 VAL HG13 H 1 0.907 0.02 . 2 . . . . . . . . 5226 1 601 . 1 1 50 50 VAL HG21 H 1 1.047 0.02 . 2 . . . . . . . . 5226 1 602 . 1 1 50 50 VAL HG22 H 1 1.047 0.02 . 2 . . . . . . . . 5226 1 603 . 1 1 50 50 VAL HG23 H 1 1.047 0.02 . 2 . . . . . . . . 5226 1 604 . 1 1 50 50 VAL N N 15 117.645 0.07 . 1 . . . . . . . . 5226 1 605 . 1 1 50 50 VAL CA C 13 67.393 0.24 . 1 . . . . . . . . 5226 1 606 . 1 1 50 50 VAL C C 13 177.273 0.12 . 1 . . . . . . . . 5226 1 607 . 1 1 50 50 VAL CB C 13 30.765 0.27 . 1 . . . . . . . . 5226 1 608 . 1 1 50 50 VAL CG1 C 13 22.800 0.28 . 1 . . . . . . . . 5226 1 609 . 1 1 50 50 VAL CG2 C 13 22.800 0.28 . 1 . . . . . . . . 5226 1 610 . 1 1 51 51 ASP H H 1 8.281 0.01 . 1 . . . . . . . . 5226 1 611 . 1 1 51 51 ASP HA H 1 4.112 0.02 . 1 . . . . . . . . 5226 1 612 . 1 1 51 51 ASP HB2 H 1 2.547 0.02 . 2 . . . . . . . . 5226 1 613 . 1 1 51 51 ASP HB3 H 1 2.870 0.02 . 2 . . . . . . . . 5226 1 614 . 1 1 51 51 ASP N N 15 119.206 0.07 . 1 . . . . . . . . 5226 1 615 . 1 1 51 51 ASP CA C 13 58.052 0.24 . 1 . . . . . . . . 5226 1 616 . 1 1 51 51 ASP C C 13 177.262 0.12 . 1 . . . . . . . . 5226 1 617 . 1 1 51 51 ASP CB C 13 41.105 0.27 . 1 . . . . . . . . 5226 1 618 . 1 1 52 52 THR H H 1 7.944 0.01 . 1 . . . . . . . . 5226 1 619 . 1 1 52 52 THR HA H 1 3.566 0.02 . 1 . . . . . . . . 5226 1 620 . 1 1 52 52 THR HB H 1 4.388 0.02 . 1 . . . . . . . . 5226 1 621 . 1 1 52 52 THR HG21 H 1 0.911 0.02 . 1 . . . . . . . . 5226 1 622 . 1 1 52 52 THR HG22 H 1 0.911 0.02 . 1 . . . . . . . . 5226 1 623 . 1 1 52 52 THR HG23 H 1 0.911 0.02 . 1 . . . . . . . . 5226 1 624 . 1 1 52 52 THR N N 15 115.213 0.07 . 1 . . . . . . . . 5226 1 625 . 1 1 52 52 THR CA C 13 67.703 0.24 . 1 . . . . . . . . 5226 1 626 . 1 1 52 52 THR C C 13 175.749 0.12 . 1 . . . . . . . . 5226 1 627 . 1 1 52 52 THR CB C 13 68.847 0.27 . 1 . . . . . . . . 5226 1 628 . 1 1 52 52 THR CG2 C 13 19.856 0.28 . 1 . . . . . . . . 5226 1 629 . 1 1 53 53 VAL H H 1 7.428 0.01 . 1 . . . . . . . . 5226 1 630 . 1 1 53 53 VAL HA H 1 3.301 0.02 . 1 . . . . . . . . 5226 1 631 . 1 1 53 53 VAL HB H 1 2.233 0.02 . 1 . . . . . . . . 5226 1 632 . 1 1 53 53 VAL HG11 H 1 0.918 0.02 . 2 . . . . . . . . 5226 1 633 . 1 1 53 53 VAL HG12 H 1 0.918 0.02 . 2 . . . . . . . . 5226 1 634 . 1 1 53 53 VAL HG13 H 1 0.918 0.02 . 2 . . . . . . . . 5226 1 635 . 1 1 53 53 VAL HG21 H 1 1.044 0.02 . 2 . . . . . . . . 5226 1 636 . 1 1 53 53 VAL HG22 H 1 1.044 0.02 . 2 . . . . . . . . 5226 1 637 . 1 1 53 53 VAL HG23 H 1 1.044 0.02 . 2 . . . . . . . . 5226 1 638 . 1 1 53 53 VAL N N 15 119.734 0.07 . 1 . . . . . . . . 5226 1 639 . 1 1 53 53 VAL CA C 13 67.290 0.24 . 1 . . . . . . . . 5226 1 640 . 1 1 53 53 VAL C C 13 176.933 0.12 . 1 . . . . . . . . 5226 1 641 . 1 1 53 53 VAL CB C 13 31.681 0.27 . 1 . . . . . . . . 5226 1 642 . 1 1 53 53 VAL CG1 C 13 21.341 0.28 . 2 . . . . . . . . 5226 1 643 . 1 1 53 53 VAL CG2 C 13 24.172 0.28 . 2 . . . . . . . . 5226 1 644 . 1 1 54 54 GLU H H 1 8.516 0.01 . 1 . . . . . . . . 5226 1 645 . 1 1 54 54 GLU HA H 1 3.898 0.02 . 1 . . . . . . . . 5226 1 646 . 1 1 54 54 GLU HB2 H 1 1.876 0.02 . 2 . . . . . . . . 5226 1 647 . 1 1 54 54 GLU HB3 H 1 2.024 0.02 . 2 . . . . . . . . 5226 1 648 . 1 1 54 54 GLU HG2 H 1 2.308 0.02 . 2 . . . . . . . . 5226 1 649 . 1 1 54 54 GLU HG3 H 1 2.107 0.02 . 2 . . . . . . . . 5226 1 650 . 1 1 54 54 GLU N N 15 119.705 0.07 . 1 . . . . . . . . 5226 1 651 . 1 1 54 54 GLU CA C 13 58.873 0.24 . 1 . . . . . . . . 5226 1 652 . 1 1 54 54 GLU C C 13 179.878 0.12 . 1 . . . . . . . . 5226 1 653 . 1 1 54 54 GLU CB C 13 30.751 0.27 . 1 . . . . . . . . 5226 1 654 . 1 1 54 54 GLU CG C 13 37.118 0.28 . 1 . . . . . . . . 5226 1 655 . 1 1 55 55 ILE H H 1 8.710 0.01 . 1 . . . . . . . . 5226 1 656 . 1 1 55 55 ILE HA H 1 3.737 0.02 . 1 . . . . . . . . 5226 1 657 . 1 1 55 55 ILE HB H 1 1.824 0.02 . 1 . . . . . . . . 5226 1 658 . 1 1 55 55 ILE HG12 H 1 0.940 0.02 . 2 . . . . . . . . 5226 1 659 . 1 1 55 55 ILE HG13 H 1 1.864 0.02 . 2 . . . . . . . . 5226 1 660 . 1 1 55 55 ILE HG21 H 1 1.049 0.02 . 1 . . . . . . . . 5226 1 661 . 1 1 55 55 ILE HG22 H 1 1.049 0.02 . 1 . . . . . . . . 5226 1 662 . 1 1 55 55 ILE HG23 H 1 1.049 0.02 . 1 . . . . . . . . 5226 1 663 . 1 1 55 55 ILE HD11 H 1 0.791 0.02 . 1 . . . . . . . . 5226 1 664 . 1 1 55 55 ILE HD12 H 1 0.791 0.02 . 1 . . . . . . . . 5226 1 665 . 1 1 55 55 ILE HD13 H 1 0.791 0.02 . 1 . . . . . . . . 5226 1 666 . 1 1 55 55 ILE N N 15 122.582 0.07 . 1 . . . . . . . . 5226 1 667 . 1 1 55 55 ILE CA C 13 66.140 0.24 . 1 . . . . . . . . 5226 1 668 . 1 1 55 55 ILE C C 13 179.434 0.12 . 1 . . . . . . . . 5226 1 669 . 1 1 55 55 ILE CB C 13 37.939 0.27 . 1 . . . . . . . . 5226 1 670 . 1 1 55 55 ILE CG1 C 13 29.635 0.28 . 1 . . . . . . . . 5226 1 671 . 1 1 55 55 ILE CG2 C 13 19.267 0.28 . 1 . . . . . . . . 5226 1 672 . 1 1 55 55 ILE CD1 C 13 14.277 0.28 . 1 . . . . . . . . 5226 1 673 . 1 1 56 56 VAL H H 1 8.183 0.01 . 1 . . . . . . . . 5226 1 674 . 1 1 56 56 VAL HA H 1 3.561 0.02 . 1 . . . . . . . . 5226 1 675 . 1 1 56 56 VAL HB H 1 2.236 0.02 . 1 . . . . . . . . 5226 1 676 . 1 1 56 56 VAL HG11 H 1 0.783 0.02 . 2 . . . . . . . . 5226 1 677 . 1 1 56 56 VAL HG12 H 1 0.783 0.02 . 2 . . . . . . . . 5226 1 678 . 1 1 56 56 VAL HG13 H 1 0.783 0.02 . 2 . . . . . . . . 5226 1 679 . 1 1 56 56 VAL HG21 H 1 1.065 0.02 . 2 . . . . . . . . 5226 1 680 . 1 1 56 56 VAL HG22 H 1 1.065 0.02 . 2 . . . . . . . . 5226 1 681 . 1 1 56 56 VAL HG23 H 1 1.065 0.02 . 2 . . . . . . . . 5226 1 682 . 1 1 56 56 VAL N N 15 120.542 0.07 . 1 . . . . . . . . 5226 1 683 . 1 1 56 56 VAL CA C 13 68.317 0.24 . 1 . . . . . . . . 5226 1 684 . 1 1 56 56 VAL C C 13 177.565 0.12 . 1 . . . . . . . . 5226 1 685 . 1 1 56 56 VAL CB C 13 31.638 0.27 . 1 . . . . . . . . 5226 1 686 . 1 1 56 56 VAL CG1 C 13 21.720 0.28 . 2 . . . . . . . . 5226 1 687 . 1 1 56 56 VAL CG2 C 13 24.992 0.28 . 2 . . . . . . . . 5226 1 688 . 1 1 57 57 ARG H H 1 8.588 0.01 . 1 . . . . . . . . 5226 1 689 . 1 1 57 57 ARG HA H 1 3.906 0.02 . 1 . . . . . . . . 5226 1 690 . 1 1 57 57 ARG HB2 H 1 1.701 0.02 . 2 . . . . . . . . 5226 1 691 . 1 1 57 57 ARG HB3 H 1 1.917 0.02 . 2 . . . . . . . . 5226 1 692 . 1 1 57 57 ARG HG2 H 1 1.650 0.02 . 1 . . . . . . . . 5226 1 693 . 1 1 57 57 ARG HG3 H 1 1.650 0.02 . 1 . . . . . . . . 5226 1 694 . 1 1 57 57 ARG HD2 H 1 3.106 0.02 . 2 . . . . . . . . 5226 1 695 . 1 1 57 57 ARG HD3 H 1 2.940 0.02 . 2 . . . . . . . . 5226 1 696 . 1 1 57 57 ARG N N 15 116.563 0.07 . 1 . . . . . . . . 5226 1 697 . 1 1 57 57 ARG CA C 13 59.387 0.24 . 1 . . . . . . . . 5226 1 698 . 1 1 57 57 ARG C C 13 176.249 0.12 . 1 . . . . . . . . 5226 1 699 . 1 1 57 57 ARG CB C 13 31.180 0.27 . 1 . . . . . . . . 5226 1 700 . 1 1 57 57 ARG CG C 13 27.188 0.28 . 1 . . . . . . . . 5226 1 701 . 1 1 57 57 ARG CD C 13 44.381 0.28 . 1 . . . . . . . . 5226 1 702 . 1 1 58 58 ASN H H 1 7.754 0.01 . 1 . . . . . . . . 5226 1 703 . 1 1 58 58 ASN HA H 1 4.752 0.02 . 1 . . . . . . . . 5226 1 704 . 1 1 58 58 ASN HB2 H 1 2.746 0.02 . 2 . . . . . . . . 5226 1 705 . 1 1 58 58 ASN HB3 H 1 2.642 0.02 . 2 . . . . . . . . 5226 1 706 . 1 1 58 58 ASN HD21 H 1 7.669 0.02 . 2 . . . . . . . . 5226 1 707 . 1 1 58 58 ASN HD22 H 1 6.636 0.02 . 2 . . . . . . . . 5226 1 708 . 1 1 58 58 ASN N N 15 113.828 0.07 . 1 . . . . . . . . 5226 1 709 . 1 1 58 58 ASN ND2 N 15 113.645 0.07 . 1 . . . . . . . . 5226 1 710 . 1 1 58 58 ASN CA C 13 55.127 0.24 . 1 . . . . . . . . 5226 1 711 . 1 1 58 58 ASN C C 13 175.686 0.12 . 1 . . . . . . . . 5226 1 712 . 1 1 58 58 ASN CB C 13 40.099 0.27 . 1 . . . . . . . . 5226 1 713 . 1 1 59 59 ARG H H 1 8.007 0.01 . 1 . . . . . . . . 5226 1 714 . 1 1 59 59 ARG HA H 1 4.265 0.02 . 1 . . . . . . . . 5226 1 715 . 1 1 59 59 ARG HB2 H 1 1.658 0.02 . 2 . . . . . . . . 5226 1 716 . 1 1 59 59 ARG HB3 H 1 1.779 0.02 . 2 . . . . . . . . 5226 1 717 . 1 1 59 59 ARG HG2 H 1 1.306 0.02 . 2 . . . . . . . . 5226 1 718 . 1 1 59 59 ARG HG3 H 1 1.150 0.02 . 2 . . . . . . . . 5226 1 719 . 1 1 59 59 ARG HD2 H 1 2.981 0.02 . 2 . . . . . . . . 5226 1 720 . 1 1 59 59 ARG HD3 H 1 2.891 0.02 . 2 . . . . . . . . 5226 1 721 . 1 1 59 59 ARG N N 15 117.756 0.07 . 1 . . . . . . . . 5226 1 722 . 1 1 59 59 ARG CA C 13 56.426 0.24 . 1 . . . . . . . . 5226 1 723 . 1 1 59 59 ARG C C 13 176.004 0.12 . 1 . . . . . . . . 5226 1 724 . 1 1 59 59 ARG CB C 13 30.682 0.27 . 1 . . . . . . . . 5226 1 725 . 1 1 59 59 ARG CG C 13 26.705 0.28 . 1 . . . . . . . . 5226 1 726 . 1 1 59 59 ARG CD C 13 42.992 0.28 . 1 . . . . . . . . 5226 1 727 . 1 1 60 60 PHE H H 1 7.181 0.01 . 1 . . . . . . . . 5226 1 728 . 1 1 60 60 PHE HA H 1 4.628 0.02 . 1 . . . . . . . . 5226 1 729 . 1 1 60 60 PHE HB2 H 1 2.886 0.02 . 2 . . . . . . . . 5226 1 730 . 1 1 60 60 PHE HB3 H 1 3.197 0.02 . 2 . . . . . . . . 5226 1 731 . 1 1 60 60 PHE N N 15 116.404 0.07 . 1 . . . . . . . . 5226 1 732 . 1 1 60 60 PHE CA C 13 59.438 0.24 . 1 . . . . . . . . 5226 1 733 . 1 1 60 60 PHE C C 13 175.327 0.12 . 1 . . . . . . . . 5226 1 734 . 1 1 60 60 PHE CB C 13 42.329 0.27 . 1 . . . . . . . . 5226 1 735 . 1 1 61 61 LEU H H 1 8.261 0.01 . 1 . . . . . . . . 5226 1 736 . 1 1 61 61 LEU HA H 1 4.697 0.02 . 1 . . . . . . . . 5226 1 737 . 1 1 61 61 LEU HB2 H 1 1.575 0.02 . 1 . . . . . . . . 5226 1 738 . 1 1 61 61 LEU HB3 H 1 1.575 0.02 . 1 . . . . . . . . 5226 1 739 . 1 1 61 61 LEU HG H 1 0.799 0.02 . 1 . . . . . . . . 5226 1 740 . 1 1 61 61 LEU HD11 H 1 0.845 0.02 . 2 . . . . . . . . 5226 1 741 . 1 1 61 61 LEU HD12 H 1 0.845 0.02 . 2 . . . . . . . . 5226 1 742 . 1 1 61 61 LEU HD13 H 1 0.845 0.02 . 2 . . . . . . . . 5226 1 743 . 1 1 61 61 LEU HD21 H 1 0.940 0.02 . 2 . . . . . . . . 5226 1 744 . 1 1 61 61 LEU HD22 H 1 0.940 0.02 . 2 . . . . . . . . 5226 1 745 . 1 1 61 61 LEU HD23 H 1 0.940 0.02 . 2 . . . . . . . . 5226 1 746 . 1 1 61 61 LEU N N 15 121.326 0.07 . 1 . . . . . . . . 5226 1 747 . 1 1 61 61 LEU CA C 13 53.323 0.24 . 1 . . . . . . . . 5226 1 748 . 1 1 61 61 LEU C C 13 174.041 0.12 . 1 . . . . . . . . 5226 1 749 . 1 1 61 61 LEU CB C 13 42.736 0.27 . 1 . . . . . . . . 5226 1 750 . 1 1 61 61 LEU CG C 13 24.409 0.28 . 1 . . . . . . . . 5226 1 751 . 1 1 61 61 LEU CD1 C 13 26.940 0.28 . 2 . . . . . . . . 5226 1 752 . 1 1 61 61 LEU CD2 C 13 23.525 0.28 . 2 . . . . . . . . 5226 1 753 . 1 1 62 62 PRO HA H 1 4.561 0.02 . 1 . . . . . . . . 5226 1 754 . 1 1 62 62 PRO HB2 H 1 1.905 0.02 . 2 . . . . . . . . 5226 1 755 . 1 1 62 62 PRO HB3 H 1 2.240 0.02 . 2 . . . . . . . . 5226 1 756 . 1 1 62 62 PRO HG2 H 1 2.017 0.02 . 1 . . . . . . . . 5226 1 757 . 1 1 62 62 PRO HG3 H 1 2.017 0.02 . 1 . . . . . . . . 5226 1 758 . 1 1 62 62 PRO HD2 H 1 3.532 0.02 . 2 . . . . . . . . 5226 1 759 . 1 1 62 62 PRO HD3 H 1 3.326 0.02 . 2 . . . . . . . . 5226 1 760 . 1 1 62 62 PRO CA C 13 64.592 0.24 . 1 . . . . . . . . 5226 1 761 . 1 1 62 62 PRO C C 13 177.653 0.12 . 1 . . . . . . . . 5226 1 762 . 1 1 62 62 PRO CB C 13 31.423 0.27 . 1 . . . . . . . . 5226 1 763 . 1 1 62 62 PRO CG C 13 27.843 0.28 . 1 . . . . . . . . 5226 1 764 . 1 1 62 62 PRO CD C 13 50.471 0.28 . 1 . . . . . . . . 5226 1 765 . 1 1 63 63 ASP H H 1 8.600 0.01 . 1 . . . . . . . . 5226 1 766 . 1 1 63 63 ASP HA H 1 4.472 0.02 . 1 . . . . . . . . 5226 1 767 . 1 1 63 63 ASP HB2 H 1 2.841 0.02 . 1 . . . . . . . . 5226 1 768 . 1 1 63 63 ASP HB3 H 1 2.841 0.02 . 1 . . . . . . . . 5226 1 769 . 1 1 63 63 ASP N N 15 116.584 0.07 . 1 . . . . . . . . 5226 1 770 . 1 1 63 63 ASP CA C 13 55.743 0.24 . 1 . . . . . . . . 5226 1 771 . 1 1 63 63 ASP C C 13 176.379 0.12 . 1 . . . . . . . . 5226 1 772 . 1 1 63 63 ASP CB C 13 40.551 0.27 . 1 . . . . . . . . 5226 1 773 . 1 1 64 64 LYS H H 1 7.807 0.01 . 1 . . . . . . . . 5226 1 774 . 1 1 64 64 LYS HA H 1 4.510 0.02 . 1 . . . . . . . . 5226 1 775 . 1 1 64 64 LYS HB2 H 1 1.702 0.02 . 2 . . . . . . . . 5226 1 776 . 1 1 64 64 LYS HB3 H 1 2.067 0.02 . 2 . . . . . . . . 5226 1 777 . 1 1 64 64 LYS HG2 H 1 1.449 0.02 . 1 . . . . . . . . 5226 1 778 . 1 1 64 64 LYS HG3 H 1 1.449 0.02 . 1 . . . . . . . . 5226 1 779 . 1 1 64 64 LYS HD2 H 1 1.640 0.02 . 1 . . . . . . . . 5226 1 780 . 1 1 64 64 LYS HD3 H 1 1.640 0.02 . 1 . . . . . . . . 5226 1 781 . 1 1 64 64 LYS HE2 H 1 3.014 0.02 . 1 . . . . . . . . 5226 1 782 . 1 1 64 64 LYS HE3 H 1 3.014 0.02 . 1 . . . . . . . . 5226 1 783 . 1 1 64 64 LYS N N 15 116.962 0.07 . 1 . . . . . . . . 5226 1 784 . 1 1 64 64 LYS CA C 13 56.111 0.24 . 1 . . . . . . . . 5226 1 785 . 1 1 64 64 LYS C C 13 175.785 0.12 . 1 . . . . . . . . 5226 1 786 . 1 1 64 64 LYS CB C 13 34.405 0.27 . 1 . . . . . . . . 5226 1 787 . 1 1 64 64 LYS CG C 13 24.968 0.28 . 1 . . . . . . . . 5226 1 788 . 1 1 64 64 LYS CD C 13 28.768 0.28 . 1 . . . . . . . . 5226 1 789 . 1 1 64 64 LYS CE C 13 42.270 0.28 . 1 . . . . . . . . 5226 1 790 . 1 1 65 65 ILE H H 1 7.761 0.01 . 1 . . . . . . . . 5226 1 791 . 1 1 65 65 ILE HA H 1 4.986 0.02 . 1 . . . . . . . . 5226 1 792 . 1 1 65 65 ILE HB H 1 1.924 0.02 . 1 . . . . . . . . 5226 1 793 . 1 1 65 65 ILE HG12 H 1 1.332 0.02 . 2 . . . . . . . . 5226 1 794 . 1 1 65 65 ILE HG13 H 1 1.113 0.02 . 2 . . . . . . . . 5226 1 795 . 1 1 65 65 ILE HG21 H 1 0.684 0.02 . 1 . . . . . . . . 5226 1 796 . 1 1 65 65 ILE HG22 H 1 0.684 0.02 . 1 . . . . . . . . 5226 1 797 . 1 1 65 65 ILE HG23 H 1 0.684 0.02 . 1 . . . . . . . . 5226 1 798 . 1 1 65 65 ILE HD11 H 1 0.446 0.02 . 1 . . . . . . . . 5226 1 799 . 1 1 65 65 ILE HD12 H 1 0.446 0.02 . 1 . . . . . . . . 5226 1 800 . 1 1 65 65 ILE HD13 H 1 0.446 0.02 . 1 . . . . . . . . 5226 1 801 . 1 1 65 65 ILE N N 15 117.423 0.07 . 1 . . . . . . . . 5226 1 802 . 1 1 65 65 ILE CA C 13 57.539 0.24 . 1 . . . . . . . . 5226 1 803 . 1 1 65 65 ILE C C 13 174.491 0.12 . 1 . . . . . . . . 5226 1 804 . 1 1 65 65 ILE CB C 13 39.591 0.27 . 1 . . . . . . . . 5226 1 805 . 1 1 65 65 ILE CG1 C 13 26.921 0.28 . 1 . . . . . . . . 5226 1 806 . 1 1 65 65 ILE CG2 C 13 18.341 0.28 . 1 . . . . . . . . 5226 1 807 . 1 1 65 65 ILE CD1 C 13 11.120 0.28 . 1 . . . . . . . . 5226 1 808 . 1 1 66 66 GLU H H 1 9.095 0.01 . 1 . . . . . . . . 5226 1 809 . 1 1 66 66 GLU HA H 1 4.667 0.02 . 1 . . . . . . . . 5226 1 810 . 1 1 66 66 GLU HB2 H 1 1.863 0.02 . 1 . . . . . . . . 5226 1 811 . 1 1 66 66 GLU HB3 H 1 1.863 0.02 . 1 . . . . . . . . 5226 1 812 . 1 1 66 66 GLU HG2 H 1 1.997 0.02 . 2 . . . . . . . . 5226 1 813 . 1 1 66 66 GLU HG3 H 1 2.054 0.02 . 2 . . . . . . . . 5226 1 814 . 1 1 66 66 GLU N N 15 125.558 0.07 . 1 . . . . . . . . 5226 1 815 . 1 1 66 66 GLU CA C 13 53.986 0.24 . 1 . . . . . . . . 5226 1 816 . 1 1 66 66 GLU C C 13 175.267 0.12 . 1 . . . . . . . . 5226 1 817 . 1 1 66 66 GLU CB C 13 33.538 0.27 . 1 . . . . . . . . 5226 1 818 . 1 1 66 66 GLU CG C 13 35.675 0.28 . 1 . . . . . . . . 5226 1 819 . 1 1 67 67 ILE H H 1 8.861 0.01 . 1 . . . . . . . . 5226 1 820 . 1 1 67 67 ILE HA H 1 4.197 0.02 . 1 . . . . . . . . 5226 1 821 . 1 1 67 67 ILE HB H 1 1.926 0.02 . 1 . . . . . . . . 5226 1 822 . 1 1 67 67 ILE HG12 H 1 0.864 0.02 . 2 . . . . . . . . 5226 1 823 . 1 1 67 67 ILE HG13 H 1 1.494 0.02 . 2 . . . . . . . . 5226 1 824 . 1 1 67 67 ILE HG21 H 1 0.776 0.02 . 1 . . . . . . . . 5226 1 825 . 1 1 67 67 ILE HG22 H 1 0.776 0.02 . 1 . . . . . . . . 5226 1 826 . 1 1 67 67 ILE HG23 H 1 0.776 0.02 . 1 . . . . . . . . 5226 1 827 . 1 1 67 67 ILE HD11 H 1 0.721 0.02 . 1 . . . . . . . . 5226 1 828 . 1 1 67 67 ILE HD12 H 1 0.721 0.02 . 1 . . . . . . . . 5226 1 829 . 1 1 67 67 ILE HD13 H 1 0.721 0.02 . 1 . . . . . . . . 5226 1 830 . 1 1 67 67 ILE N N 15 125.058 0.07 . 1 . . . . . . . . 5226 1 831 . 1 1 67 67 ILE CA C 13 61.525 0.24 . 1 . . . . . . . . 5226 1 832 . 1 1 67 67 ILE C C 13 175.419 0.12 . 1 . . . . . . . . 5226 1 833 . 1 1 67 67 ILE CB C 13 36.768 0.27 . 1 . . . . . . . . 5226 1 834 . 1 1 67 67 ILE CG1 C 13 27.863 0.28 . 1 . . . . . . . . 5226 1 835 . 1 1 67 67 ILE CG2 C 13 17.806 0.28 . 1 . . . . . . . . 5226 1 836 . 1 1 67 67 ILE CD1 C 13 12.889 0.28 . 1 . . . . . . . . 5226 1 837 . 1 1 68 68 LYS H H 1 8.960 0.01 . 1 . . . . . . . . 5226 1 838 . 1 1 68 68 LYS HA H 1 4.191 0.02 . 1 . . . . . . . . 5226 1 839 . 1 1 68 68 LYS HB2 H 1 1.476 0.02 . 2 . . . . . . . . 5226 1 840 . 1 1 68 68 LYS HB3 H 1 1.622 0.02 . 2 . . . . . . . . 5226 1 841 . 1 1 68 68 LYS HG2 H 1 1.249 0.02 . 2 . . . . . . . . 5226 1 842 . 1 1 68 68 LYS HG3 H 1 1.397 0.02 . 2 . . . . . . . . 5226 1 843 . 1 1 68 68 LYS HD2 H 1 1.438 0.02 . 2 . . . . . . . . 5226 1 844 . 1 1 68 68 LYS HD3 H 1 1.537 0.02 . 2 . . . . . . . . 5226 1 845 . 1 1 68 68 LYS HE2 H 1 2.865 0.02 . 1 . . . . . . . . 5226 1 846 . 1 1 68 68 LYS HE3 H 1 2.865 0.02 . 1 . . . . . . . . 5226 1 847 . 1 1 68 68 LYS N N 15 131.445 0.07 . 1 . . . . . . . . 5226 1 848 . 1 1 68 68 LYS CA C 13 57.551 0.24 . 1 . . . . . . . . 5226 1 849 . 1 1 68 68 LYS C C 13 176.224 0.12 . 1 . . . . . . . . 5226 1 850 . 1 1 68 68 LYS CB C 13 33.984 0.27 . 1 . . . . . . . . 5226 1 851 . 1 1 68 68 LYS CG C 13 24.514 0.28 . 1 . . . . . . . . 5226 1 852 . 1 1 68 68 LYS CD C 13 29.340 0.28 . 1 . . . . . . . . 5226 1 853 . 1 1 68 68 LYS CE C 13 41.726 0.28 . 1 . . . . . . . . 5226 1 854 . 1 1 69 69 GLU H H 1 7.514 0.01 . 1 . . . . . . . . 5226 1 855 . 1 1 69 69 GLU HA H 1 4.535 0.02 . 1 . . . . . . . . 5226 1 856 . 1 1 69 69 GLU HB2 H 1 1.975 0.02 . 1 . . . . . . . . 5226 1 857 . 1 1 69 69 GLU HB3 H 1 1.975 0.02 . 1 . . . . . . . . 5226 1 858 . 1 1 69 69 GLU HG2 H 1 2.173 0.02 . 1 . . . . . . . . 5226 1 859 . 1 1 69 69 GLU HG3 H 1 2.173 0.02 . 1 . . . . . . . . 5226 1 860 . 1 1 69 69 GLU N N 15 115.179 0.07 . 1 . . . . . . . . 5226 1 861 . 1 1 69 69 GLU CA C 13 56.118 0.24 . 1 . . . . . . . . 5226 1 862 . 1 1 69 69 GLU C C 13 173.571 0.12 . 1 . . . . . . . . 5226 1 863 . 1 1 69 69 GLU CB C 13 33.251 0.27 . 1 . . . . . . . . 5226 1 864 . 1 1 69 69 GLU CG C 13 36.046 0.28 . 1 . . . . . . . . 5226 1 865 . 1 1 70 70 ILE H H 1 8.390 0.01 . 1 . . . . . . . . 5226 1 866 . 1 1 70 70 ILE HA H 1 4.863 0.02 . 1 . . . . . . . . 5226 1 867 . 1 1 70 70 ILE HB H 1 1.614 0.02 . 1 . . . . . . . . 5226 1 868 . 1 1 70 70 ILE HG12 H 1 0.894 0.02 . 2 . . . . . . . . 5226 1 869 . 1 1 70 70 ILE HG13 H 1 1.503 0.02 . 2 . . . . . . . . 5226 1 870 . 1 1 70 70 ILE HG21 H 1 0.740 0.02 . 1 . . . . . . . . 5226 1 871 . 1 1 70 70 ILE HG22 H 1 0.740 0.02 . 1 . . . . . . . . 5226 1 872 . 1 1 70 70 ILE HG23 H 1 0.740 0.02 . 1 . . . . . . . . 5226 1 873 . 1 1 70 70 ILE HD11 H 1 0.839 0.02 . 1 . . . . . . . . 5226 1 874 . 1 1 70 70 ILE HD12 H 1 0.839 0.02 . 1 . . . . . . . . 5226 1 875 . 1 1 70 70 ILE HD13 H 1 0.839 0.02 . 1 . . . . . . . . 5226 1 876 . 1 1 70 70 ILE N N 15 123.682 0.07 . 1 . . . . . . . . 5226 1 877 . 1 1 70 70 ILE CA C 13 61.168 0.24 . 1 . . . . . . . . 5226 1 878 . 1 1 70 70 ILE C C 13 174.241 0.12 . 1 . . . . . . . . 5226 1 879 . 1 1 70 70 ILE CB C 13 40.518 0.27 . 1 . . . . . . . . 5226 1 880 . 1 1 70 70 ILE CG1 C 13 28.241 0.28 . 1 . . . . . . . . 5226 1 881 . 1 1 70 70 ILE CG2 C 13 17.816 0.28 . 1 . . . . . . . . 5226 1 882 . 1 1 70 70 ILE CD1 C 13 14.617 0.28 . 1 . . . . . . . . 5226 1 883 . 1 1 71 71 ARG H H 1 9.017 0.01 . 1 . . . . . . . . 5226 1 884 . 1 1 71 71 ARG HA H 1 4.864 0.02 . 1 . . . . . . . . 5226 1 885 . 1 1 71 71 ARG HB2 H 1 1.611 0.02 . 2 . . . . . . . . 5226 1 886 . 1 1 71 71 ARG HB3 H 1 1.750 0.02 . 2 . . . . . . . . 5226 1 887 . 1 1 71 71 ARG HG2 H 1 1.494 0.02 . 1 . . . . . . . . 5226 1 888 . 1 1 71 71 ARG HG3 H 1 1.494 0.02 . 1 . . . . . . . . 5226 1 889 . 1 1 71 71 ARG HD2 H 1 3.057 0.02 . 2 . . . . . . . . 5226 1 890 . 1 1 71 71 ARG HD3 H 1 3.179 0.02 . 2 . . . . . . . . 5226 1 891 . 1 1 71 71 ARG N N 15 125.974 0.07 . 1 . . . . . . . . 5226 1 892 . 1 1 71 71 ARG CA C 13 54.543 0.24 . 1 . . . . . . . . 5226 1 893 . 1 1 71 71 ARG C C 13 176.248 0.12 . 1 . . . . . . . . 5226 1 894 . 1 1 71 71 ARG CB C 13 33.711 0.27 . 1 . . . . . . . . 5226 1 895 . 1 1 71 71 ARG CG C 13 27.286 0.28 . 1 . . . . . . . . 5226 1 896 . 1 1 71 71 ARG CD C 13 43.532 0.28 . 1 . . . . . . . . 5226 1 897 . 1 1 72 72 VAL H H 1 8.751 0.01 . 1 . . . . . . . . 5226 1 898 . 1 1 72 72 VAL HA H 1 5.113 0.02 . 1 . . . . . . . . 5226 1 899 . 1 1 72 72 VAL HB H 1 2.209 0.02 . 1 . . . . . . . . 5226 1 900 . 1 1 72 72 VAL HG11 H 1 0.830 0.02 . 2 . . . . . . . . 5226 1 901 . 1 1 72 72 VAL HG12 H 1 0.830 0.02 . 2 . . . . . . . . 5226 1 902 . 1 1 72 72 VAL HG13 H 1 0.830 0.02 . 2 . . . . . . . . 5226 1 903 . 1 1 72 72 VAL HG21 H 1 0.867 0.02 . 2 . . . . . . . . 5226 1 904 . 1 1 72 72 VAL HG22 H 1 0.867 0.02 . 2 . . . . . . . . 5226 1 905 . 1 1 72 72 VAL HG23 H 1 0.867 0.02 . 2 . . . . . . . . 5226 1 906 . 1 1 72 72 VAL N N 15 119.675 0.07 . 1 . . . . . . . . 5226 1 907 . 1 1 72 72 VAL CA C 13 58.925 0.24 . 1 . . . . . . . . 5226 1 908 . 1 1 72 72 VAL C C 13 175.043 0.12 . 1 . . . . . . . . 5226 1 909 . 1 1 72 72 VAL CB C 13 34.333 0.27 . 1 . . . . . . . . 5226 1 910 . 1 1 72 72 VAL CG1 C 13 18.922 0.28 . 2 . . . . . . . . 5226 1 911 . 1 1 72 72 VAL CG2 C 13 22.492 0.28 . 2 . . . . . . . . 5226 1 912 . 1 1 73 73 GLY H H 1 7.862 0.01 . 1 . . . . . . . . 5226 1 913 . 1 1 73 73 GLY HA2 H 1 3.677 0.02 . 2 . . . . . . . . 5226 1 914 . 1 1 73 73 GLY HA3 H 1 4.204 0.02 . 2 . . . . . . . . 5226 1 915 . 1 1 73 73 GLY N N 15 111.177 0.07 . 1 . . . . . . . . 5226 1 916 . 1 1 73 73 GLY CA C 13 45.590 0.24 . 1 . . . . . . . . 5226 1 917 . 1 1 73 73 GLY C C 13 172.206 0.12 . 1 . . . . . . . . 5226 1 918 . 1 1 74 74 SER H H 1 7.886 0.01 . 1 . . . . . . . . 5226 1 919 . 1 1 74 74 SER HA H 1 5.479 0.02 . 1 . . . . . . . . 5226 1 920 . 1 1 74 74 SER HB2 H 1 3.727 0.02 . 2 . . . . . . . . 5226 1 921 . 1 1 74 74 SER HB3 H 1 3.593 0.02 . 2 . . . . . . . . 5226 1 922 . 1 1 74 74 SER N N 15 112.955 0.07 . 1 . . . . . . . . 5226 1 923 . 1 1 74 74 SER CA C 13 58.427 0.24 . 1 . . . . . . . . 5226 1 924 . 1 1 74 74 SER C C 13 173.185 0.12 . 1 . . . . . . . . 5226 1 925 . 1 1 74 74 SER CB C 13 67.499 0.27 . 1 . . . . . . . . 5226 1 926 . 1 1 75 75 GLN H H 1 9.164 0.01 . 1 . . . . . . . . 5226 1 927 . 1 1 75 75 GLN HA H 1 4.599 0.02 . 1 . . . . . . . . 5226 1 928 . 1 1 75 75 GLN HB2 H 1 1.727 0.02 . 2 . . . . . . . . 5226 1 929 . 1 1 75 75 GLN HB3 H 1 1.892 0.02 . 2 . . . . . . . . 5226 1 930 . 1 1 75 75 GLN HG2 H 1 2.177 0.02 . 1 . . . . . . . . 5226 1 931 . 1 1 75 75 GLN HG3 H 1 2.177 0.02 . 1 . . . . . . . . 5226 1 932 . 1 1 75 75 GLN HE21 H 1 7.361 0.02 . 2 . . . . . . . . 5226 1 933 . 1 1 75 75 GLN HE22 H 1 6.700 0.02 . 2 . . . . . . . . 5226 1 934 . 1 1 75 75 GLN N N 15 122.118 0.07 . 1 . . . . . . . . 5226 1 935 . 1 1 75 75 GLN NE2 N 15 111.272 0.07 . 1 . . . . . . . . 5226 1 936 . 1 1 75 75 GLN CA C 13 54.238 0.24 . 1 . . . . . . . . 5226 1 937 . 1 1 75 75 GLN C C 13 174.209 0.12 . 1 . . . . . . . . 5226 1 938 . 1 1 75 75 GLN CB C 13 32.629 0.27 . 1 . . . . . . . . 5226 1 939 . 1 1 75 75 GLN CG C 13 33.810 0.28 . 1 . . . . . . . . 5226 1 940 . 1 1 76 76 VAL H H 1 8.537 0.01 . 1 . . . . . . . . 5226 1 941 . 1 1 76 76 VAL HA H 1 4.603 0.02 . 1 . . . . . . . . 5226 1 942 . 1 1 76 76 VAL HB H 1 1.878 0.02 . 1 . . . . . . . . 5226 1 943 . 1 1 76 76 VAL HG11 H 1 0.853 0.02 . 2 . . . . . . . . 5226 1 944 . 1 1 76 76 VAL HG12 H 1 0.853 0.02 . 2 . . . . . . . . 5226 1 945 . 1 1 76 76 VAL HG13 H 1 0.853 0.02 . 2 . . . . . . . . 5226 1 946 . 1 1 76 76 VAL HG21 H 1 0.779 0.02 . 2 . . . . . . . . 5226 1 947 . 1 1 76 76 VAL HG22 H 1 0.779 0.02 . 2 . . . . . . . . 5226 1 948 . 1 1 76 76 VAL HG23 H 1 0.779 0.02 . 2 . . . . . . . . 5226 1 949 . 1 1 76 76 VAL N N 15 124.462 0.07 . 1 . . . . . . . . 5226 1 950 . 1 1 76 76 VAL CA C 13 62.345 0.24 . 1 . . . . . . . . 5226 1 951 . 1 1 76 76 VAL C C 13 176.126 0.12 . 1 . . . . . . . . 5226 1 952 . 1 1 76 76 VAL CB C 13 32.315 0.27 . 1 . . . . . . . . 5226 1 953 . 1 1 76 76 VAL CG1 C 13 21.370 0.28 . 1 . . . . . . . . 5226 1 954 . 1 1 76 76 VAL CG2 C 13 21.370 0.28 . 1 . . . . . . . . 5226 1 955 . 1 1 77 77 VAL H H 1 8.838 0.01 . 1 . . . . . . . . 5226 1 956 . 1 1 77 77 VAL HA H 1 4.437 0.02 . 1 . . . . . . . . 5226 1 957 . 1 1 77 77 VAL HB H 1 1.996 0.02 . 1 . . . . . . . . 5226 1 958 . 1 1 77 77 VAL HG11 H 1 0.762 0.02 . 2 . . . . . . . . 5226 1 959 . 1 1 77 77 VAL HG12 H 1 0.762 0.02 . 2 . . . . . . . . 5226 1 960 . 1 1 77 77 VAL HG13 H 1 0.762 0.02 . 2 . . . . . . . . 5226 1 961 . 1 1 77 77 VAL HG21 H 1 0.800 0.02 . 2 . . . . . . . . 5226 1 962 . 1 1 77 77 VAL HG22 H 1 0.800 0.02 . 2 . . . . . . . . 5226 1 963 . 1 1 77 77 VAL HG23 H 1 0.800 0.02 . 2 . . . . . . . . 5226 1 964 . 1 1 77 77 VAL N N 15 126.976 0.07 . 1 . . . . . . . . 5226 1 965 . 1 1 77 77 VAL CA C 13 60.340 0.24 . 1 . . . . . . . . 5226 1 966 . 1 1 77 77 VAL C C 13 175.200 0.12 . 1 . . . . . . . . 5226 1 967 . 1 1 77 77 VAL CB C 13 34.801 0.27 . 1 . . . . . . . . 5226 1 968 . 1 1 77 77 VAL CG1 C 13 19.994 0.28 . 2 . . . . . . . . 5226 1 969 . 1 1 77 77 VAL CG2 C 13 21.322 0.28 . 2 . . . . . . . . 5226 1 970 . 1 1 78 78 THR H H 1 8.500 0.01 . 1 . . . . . . . . 5226 1 971 . 1 1 78 78 THR HA H 1 4.892 0.02 . 1 . . . . . . . . 5226 1 972 . 1 1 78 78 THR HB H 1 3.953 0.02 . 1 . . . . . . . . 5226 1 973 . 1 1 78 78 THR HG21 H 1 1.193 0.02 . 1 . . . . . . . . 5226 1 974 . 1 1 78 78 THR HG22 H 1 1.193 0.02 . 1 . . . . . . . . 5226 1 975 . 1 1 78 78 THR HG23 H 1 1.193 0.02 . 1 . . . . . . . . 5226 1 976 . 1 1 78 78 THR N N 15 121.544 0.07 . 1 . . . . . . . . 5226 1 977 . 1 1 78 78 THR CA C 13 61.691 0.24 . 1 . . . . . . . . 5226 1 978 . 1 1 78 78 THR C C 13 175.079 0.12 . 1 . . . . . . . . 5226 1 979 . 1 1 78 78 THR CB C 13 69.652 0.27 . 1 . . . . . . . . 5226 1 980 . 1 1 78 78 THR CG2 C 13 21.446 0.28 . 1 . . . . . . . . 5226 1 981 . 1 1 79 79 SER H H 1 8.862 0.01 . 1 . . . . . . . . 5226 1 982 . 1 1 79 79 SER HA H 1 4.604 0.02 . 1 . . . . . . . . 5226 1 983 . 1 1 79 79 SER HB2 H 1 4.197 0.02 . 2 . . . . . . . . 5226 1 984 . 1 1 79 79 SER HB3 H 1 3.958 0.02 . 2 . . . . . . . . 5226 1 985 . 1 1 79 79 SER N N 15 122.819 0.07 . 1 . . . . . . . . 5226 1 986 . 1 1 79 79 SER CA C 13 57.594 0.24 . 1 . . . . . . . . 5226 1 987 . 1 1 79 79 SER C C 13 176.314 0.12 . 1 . . . . . . . . 5226 1 988 . 1 1 79 79 SER CB C 13 64.655 0.27 . 1 . . . . . . . . 5226 1 989 . 1 1 80 80 GLN H H 1 8.900 0.01 . 1 . . . . . . . . 5226 1 990 . 1 1 80 80 GLN HA H 1 4.090 0.02 . 1 . . . . . . . . 5226 1 991 . 1 1 80 80 GLN HB2 H 1 2.132 0.02 . 1 . . . . . . . . 5226 1 992 . 1 1 80 80 GLN HB3 H 1 2.132 0.02 . 1 . . . . . . . . 5226 1 993 . 1 1 80 80 GLN HG2 H 1 2.451 0.02 . 1 . . . . . . . . 5226 1 994 . 1 1 80 80 GLN HG3 H 1 2.451 0.02 . 1 . . . . . . . . 5226 1 995 . 1 1 80 80 GLN HE21 H 1 7.524 0.02 . 2 . . . . . . . . 5226 1 996 . 1 1 80 80 GLN HE22 H 1 6.819 0.02 . 2 . . . . . . . . 5226 1 997 . 1 1 80 80 GLN N N 15 122.511 0.07 . 1 . . . . . . . . 5226 1 998 . 1 1 80 80 GLN NE2 N 15 112.186 0.07 . 1 . . . . . . . . 5226 1 999 . 1 1 80 80 GLN CA C 13 58.867 0.24 . 1 . . . . . . . . 5226 1 1000 . 1 1 80 80 GLN C C 13 176.030 0.12 . 1 . . . . . . . . 5226 1 1001 . 1 1 80 80 GLN CB C 13 28.406 0.27 . 1 . . . . . . . . 5226 1 1002 . 1 1 80 80 GLN CG C 13 33.900 0.28 . 1 . . . . . . . . 5226 1 1003 . 1 1 81 81 ASP H H 1 8.052 0.01 . 1 . . . . . . . . 5226 1 1004 . 1 1 81 81 ASP HA H 1 4.533 0.02 . 1 . . . . . . . . 5226 1 1005 . 1 1 81 81 ASP HB2 H 1 2.622 0.02 . 2 . . . . . . . . 5226 1 1006 . 1 1 81 81 ASP HB3 H 1 2.953 0.02 . 2 . . . . . . . . 5226 1 1007 . 1 1 81 81 ASP N N 15 116.145 0.07 . 1 . . . . . . . . 5226 1 1008 . 1 1 81 81 ASP CA C 13 53.382 0.24 . 1 . . . . . . . . 5226 1 1009 . 1 1 81 81 ASP C C 13 176.671 0.12 . 1 . . . . . . . . 5226 1 1010 . 1 1 81 81 ASP CB C 13 40.090 0.27 . 1 . . . . . . . . 5226 1 1011 . 1 1 82 82 GLY H H 1 8.005 0.01 . 1 . . . . . . . . 5226 1 1012 . 1 1 82 82 GLY HA2 H 1 3.538 0.02 . 2 . . . . . . . . 5226 1 1013 . 1 1 82 82 GLY HA3 H 1 4.200 0.02 . 2 . . . . . . . . 5226 1 1014 . 1 1 82 82 GLY N N 15 108.466 0.07 . 1 . . . . . . . . 5226 1 1015 . 1 1 82 82 GLY CA C 13 45.565 0.24 . 1 . . . . . . . . 5226 1 1016 . 1 1 82 82 GLY C C 13 174.455 0.12 . 1 . . . . . . . . 5226 1 1017 . 1 1 83 83 ARG H H 1 7.699 0.01 . 1 . . . . . . . . 5226 1 1018 . 1 1 83 83 ARG HA H 1 4.334 0.02 . 1 . . . . . . . . 5226 1 1019 . 1 1 83 83 ARG HB2 H 1 1.796 0.02 . 1 . . . . . . . . 5226 1 1020 . 1 1 83 83 ARG HB3 H 1 1.796 0.02 . 1 . . . . . . . . 5226 1 1021 . 1 1 83 83 ARG HG2 H 1 1.531 0.02 . 1 . . . . . . . . 5226 1 1022 . 1 1 83 83 ARG HG3 H 1 1.531 0.02 . 1 . . . . . . . . 5226 1 1023 . 1 1 83 83 ARG HD2 H 1 3.167 0.02 . 1 . . . . . . . . 5226 1 1024 . 1 1 83 83 ARG HD3 H 1 3.167 0.02 . 1 . . . . . . . . 5226 1 1025 . 1 1 83 83 ARG N N 15 121.173 0.07 . 1 . . . . . . . . 5226 1 1026 . 1 1 83 83 ARG CA C 13 56.116 0.24 . 1 . . . . . . . . 5226 1 1027 . 1 1 83 83 ARG C C 13 175.991 0.12 . 1 . . . . . . . . 5226 1 1028 . 1 1 83 83 ARG CB C 13 30.793 0.27 . 1 . . . . . . . . 5226 1 1029 . 1 1 83 83 ARG CG C 13 27.713 0.28 . 1 . . . . . . . . 5226 1 1030 . 1 1 83 83 ARG CD C 13 43.384 0.28 . 1 . . . . . . . . 5226 1 1031 . 1 1 84 84 GLN H H 1 8.575 0.01 . 1 . . . . . . . . 5226 1 1032 . 1 1 84 84 GLN HA H 1 5.129 0.02 . 1 . . . . . . . . 5226 1 1033 . 1 1 84 84 GLN HB2 H 1 1.814 0.02 . 2 . . . . . . . . 5226 1 1034 . 1 1 84 84 GLN HB3 H 1 1.929 0.02 . 2 . . . . . . . . 5226 1 1035 . 1 1 84 84 GLN HG2 H 1 2.332 0.02 . 2 . . . . . . . . 5226 1 1036 . 1 1 84 84 GLN HG3 H 1 2.246 0.02 . 2 . . . . . . . . 5226 1 1037 . 1 1 84 84 GLN HE21 H 1 7.336 0.02 . 2 . . . . . . . . 5226 1 1038 . 1 1 84 84 GLN HE22 H 1 6.729 0.02 . 2 . . . . . . . . 5226 1 1039 . 1 1 84 84 GLN N N 15 122.650 0.07 . 1 . . . . . . . . 5226 1 1040 . 1 1 84 84 GLN NE2 N 15 111.908 0.07 . 1 . . . . . . . . 5226 1 1041 . 1 1 84 84 GLN CA C 13 55.308 0.24 . 1 . . . . . . . . 5226 1 1042 . 1 1 84 84 GLN C C 13 176.099 0.12 . 1 . . . . . . . . 5226 1 1043 . 1 1 84 84 GLN CB C 13 31.096 0.27 . 1 . . . . . . . . 5226 1 1044 . 1 1 84 84 GLN CG C 13 34.462 0.28 . 1 . . . . . . . . 5226 1 1045 . 1 1 85 85 SER H H 1 8.803 0.01 . 1 . . . . . . . . 5226 1 1046 . 1 1 85 85 SER HA H 1 4.680 0.02 . 1 . . . . . . . . 5226 1 1047 . 1 1 85 85 SER HB2 H 1 3.698 0.02 . 2 . . . . . . . . 5226 1 1048 . 1 1 85 85 SER HB3 H 1 3.739 0.02 . 2 . . . . . . . . 5226 1 1049 . 1 1 85 85 SER N N 15 118.379 0.07 . 1 . . . . . . . . 5226 1 1050 . 1 1 85 85 SER CA C 13 57.436 0.24 . 1 . . . . . . . . 5226 1 1051 . 1 1 85 85 SER C C 13 172.142 0.12 . 1 . . . . . . . . 5226 1 1052 . 1 1 85 85 SER CB C 13 65.400 0.27 . 1 . . . . . . . . 5226 1 1053 . 1 1 86 86 ARG H H 1 8.472 0.01 . 1 . . . . . . . . 5226 1 1054 . 1 1 86 86 ARG HA H 1 5.009 0.02 . 1 . . . . . . . . 5226 1 1055 . 1 1 86 86 ARG HB2 H 1 1.694 0.02 . 1 . . . . . . . . 5226 1 1056 . 1 1 86 86 ARG HB3 H 1 1.694 0.02 . 1 . . . . . . . . 5226 1 1057 . 1 1 86 86 ARG HG2 H 1 1.397 0.02 . 2 . . . . . . . . 5226 1 1058 . 1 1 86 86 ARG HG3 H 1 1.521 0.02 . 2 . . . . . . . . 5226 1 1059 . 1 1 86 86 ARG HD2 H 1 3.011 0.02 . 2 . . . . . . . . 5226 1 1060 . 1 1 86 86 ARG HD3 H 1 3.142 0.02 . 2 . . . . . . . . 5226 1 1061 . 1 1 86 86 ARG N N 15 123.783 0.07 . 1 . . . . . . . . 5226 1 1062 . 1 1 86 86 ARG CA C 13 55.590 0.24 . 1 . . . . . . . . 5226 1 1063 . 1 1 86 86 ARG C C 13 175.550 0.12 . 1 . . . . . . . . 5226 1 1064 . 1 1 86 86 ARG CB C 13 31.528 0.27 . 1 . . . . . . . . 5226 1 1065 . 1 1 86 86 ARG CG C 13 26.607 0.28 . 1 . . . . . . . . 5226 1 1066 . 1 1 86 86 ARG CD C 13 42.275 0.28 . 1 . . . . . . . . 5226 1 1067 . 1 1 87 87 VAL H H 1 9.037 0.01 . 1 . . . . . . . . 5226 1 1068 . 1 1 87 87 VAL HA H 1 4.568 0.02 . 1 . . . . . . . . 5226 1 1069 . 1 1 87 87 VAL HB H 1 1.960 0.02 . 1 . . . . . . . . 5226 1 1070 . 1 1 87 87 VAL HG11 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1071 . 1 1 87 87 VAL HG12 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1072 . 1 1 87 87 VAL HG13 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1073 . 1 1 87 87 VAL HG21 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1074 . 1 1 87 87 VAL HG22 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1075 . 1 1 87 87 VAL HG23 H 1 0.937 0.02 . 1 . . . . . . . . 5226 1 1076 . 1 1 87 87 VAL N N 15 125.554 0.07 . 1 . . . . . . . . 5226 1 1077 . 1 1 87 87 VAL CA C 13 60.253 0.24 . 1 . . . . . . . . 5226 1 1078 . 1 1 87 87 VAL C C 13 174.858 0.12 . 1 . . . . . . . . 5226 1 1079 . 1 1 87 87 VAL CB C 13 35.420 0.27 . 1 . . . . . . . . 5226 1 1080 . 1 1 87 87 VAL CG1 C 13 21.009 0.28 . 1 . . . . . . . . 5226 1 1081 . 1 1 87 87 VAL CG2 C 13 21.009 0.28 . 1 . . . . . . . . 5226 1 1082 . 1 1 88 88 SER H H 1 9.174 0.01 . 1 . . . . . . . . 5226 1 1083 . 1 1 88 88 SER HA H 1 5.192 0.02 . 1 . . . . . . . . 5226 1 1084 . 1 1 88 88 SER HB2 H 1 3.709 0.02 . 2 . . . . . . . . 5226 1 1085 . 1 1 88 88 SER HB3 H 1 3.830 0.02 . 2 . . . . . . . . 5226 1 1086 . 1 1 88 88 SER N N 15 123.642 0.07 . 1 . . . . . . . . 5226 1 1087 . 1 1 88 88 SER CA C 13 59.425 0.24 . 1 . . . . . . . . 5226 1 1088 . 1 1 88 88 SER C C 13 173.452 0.12 . 1 . . . . . . . . 5226 1 1089 . 1 1 88 88 SER CB C 13 64.455 0.27 . 1 . . . . . . . . 5226 1 1090 . 1 1 89 89 THR H H 1 8.917 0.01 . 1 . . . . . . . . 5226 1 1091 . 1 1 89 89 THR HA H 1 5.007 0.02 . 1 . . . . . . . . 5226 1 1092 . 1 1 89 89 THR HB H 1 4.201 0.02 . 1 . . . . . . . . 5226 1 1093 . 1 1 89 89 THR HG21 H 1 0.929 0.02 . 1 . . . . . . . . 5226 1 1094 . 1 1 89 89 THR HG22 H 1 0.929 0.02 . 1 . . . . . . . . 5226 1 1095 . 1 1 89 89 THR HG23 H 1 0.929 0.02 . 1 . . . . . . . . 5226 1 1096 . 1 1 89 89 THR N N 15 114.930 0.07 . 1 . . . . . . . . 5226 1 1097 . 1 1 89 89 THR CA C 13 60.133 0.24 . 1 . . . . . . . . 5226 1 1098 . 1 1 89 89 THR C C 13 172.511 0.12 . 1 . . . . . . . . 5226 1 1099 . 1 1 89 89 THR CB C 13 71.567 0.27 . 1 . . . . . . . . 5226 1 1100 . 1 1 89 89 THR CG2 C 13 21.155 0.28 . 1 . . . . . . . . 5226 1 1101 . 1 1 90 90 ILE H H 1 8.547 0.01 . 1 . . . . . . . . 5226 1 1102 . 1 1 90 90 ILE HA H 1 5.185 0.02 . 1 . . . . . . . . 5226 1 1103 . 1 1 90 90 ILE HB H 1 1.387 0.02 . 1 . . . . . . . . 5226 1 1104 . 1 1 90 90 ILE HG12 H 1 0.912 0.02 . 2 . . . . . . . . 5226 1 1105 . 1 1 90 90 ILE HG13 H 1 1.667 0.02 . 2 . . . . . . . . 5226 1 1106 . 1 1 90 90 ILE HG21 H 1 0.730 0.02 . 1 . . . . . . . . 5226 1 1107 . 1 1 90 90 ILE HG22 H 1 0.730 0.02 . 1 . . . . . . . . 5226 1 1108 . 1 1 90 90 ILE HG23 H 1 0.730 0.02 . 1 . . . . . . . . 5226 1 1109 . 1 1 90 90 ILE HD11 H 1 0.505 0.02 . 1 . . . . . . . . 5226 1 1110 . 1 1 90 90 ILE HD12 H 1 0.505 0.02 . 1 . . . . . . . . 5226 1 1111 . 1 1 90 90 ILE HD13 H 1 0.505 0.02 . 1 . . . . . . . . 5226 1 1112 . 1 1 90 90 ILE N N 15 118.019 0.07 . 1 . . . . . . . . 5226 1 1113 . 1 1 90 90 ILE CA C 13 60.057 0.24 . 1 . . . . . . . . 5226 1 1114 . 1 1 90 90 ILE C C 13 172.383 0.12 . 1 . . . . . . . . 5226 1 1115 . 1 1 90 90 ILE CB C 13 43.378 0.27 . 1 . . . . . . . . 5226 1 1116 . 1 1 90 90 ILE CG1 C 13 30.388 0.28 . 1 . . . . . . . . 5226 1 1117 . 1 1 90 90 ILE CG2 C 13 17.968 0.28 . 1 . . . . . . . . 5226 1 1118 . 1 1 90 90 ILE CD1 C 13 13.615 0.28 . 1 . . . . . . . . 5226 1 1119 . 1 1 91 91 GLU H H 1 8.425 0.01 . 1 . . . . . . . . 5226 1 1120 . 1 1 91 91 GLU HA H 1 5.112 0.02 . 1 . . . . . . . . 5226 1 1121 . 1 1 91 91 GLU HB2 H 1 1.797 0.02 . 1 . . . . . . . . 5226 1 1122 . 1 1 91 91 GLU HB3 H 1 1.797 0.02 . 1 . . . . . . . . 5226 1 1123 . 1 1 91 91 GLU HG2 H 1 2.195 0.02 . 2 . . . . . . . . 5226 1 1124 . 1 1 91 91 GLU HG3 H 1 1.967 0.02 . 2 . . . . . . . . 5226 1 1125 . 1 1 91 91 GLU N N 15 125.563 0.07 . 1 . . . . . . . . 5226 1 1126 . 1 1 91 91 GLU CA C 13 55.067 0.24 . 1 . . . . . . . . 5226 1 1127 . 1 1 91 91 GLU C C 13 174.952 0.12 . 1 . . . . . . . . 5226 1 1128 . 1 1 91 91 GLU CB C 13 33.155 0.27 . 1 . . . . . . . . 5226 1 1129 . 1 1 91 91 GLU CG C 13 36.448 0.28 . 1 . . . . . . . . 5226 1 1130 . 1 1 92 92 ILE H H 1 9.383 0.01 . 1 . . . . . . . . 5226 1 1131 . 1 1 92 92 ILE HA H 1 4.705 0.02 . 1 . . . . . . . . 5226 1 1132 . 1 1 92 92 ILE HB H 1 1.742 0.02 . 1 . . . . . . . . 5226 1 1133 . 1 1 92 92 ILE HG12 H 1 1.535 0.02 . 1 . . . . . . . . 5226 1 1134 . 1 1 92 92 ILE HG13 H 1 1.535 0.02 . 1 . . . . . . . . 5226 1 1135 . 1 1 92 92 ILE HG21 H 1 0.860 0.02 . 1 . . . . . . . . 5226 1 1136 . 1 1 92 92 ILE HG22 H 1 0.860 0.02 . 1 . . . . . . . . 5226 1 1137 . 1 1 92 92 ILE HG23 H 1 0.860 0.02 . 1 . . . . . . . . 5226 1 1138 . 1 1 92 92 ILE HD11 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1139 . 1 1 92 92 ILE HD12 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1140 . 1 1 92 92 ILE HD13 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1141 . 1 1 92 92 ILE N N 15 124.469 0.07 . 1 . . . . . . . . 5226 1 1142 . 1 1 92 92 ILE CA C 13 60.732 0.24 . 1 . . . . . . . . 5226 1 1143 . 1 1 92 92 ILE C C 13 173.861 0.12 . 1 . . . . . . . . 5226 1 1144 . 1 1 92 92 ILE CB C 13 40.905 0.27 . 1 . . . . . . . . 5226 1 1145 . 1 1 92 92 ILE CG1 C 13 28.036 0.28 . 1 . . . . . . . . 5226 1 1146 . 1 1 92 92 ILE CG2 C 13 18.380 0.28 . 1 . . . . . . . . 5226 1 1147 . 1 1 92 92 ILE CD1 C 13 14.553 0.28 . 1 . . . . . . . . 5226 1 1148 . 1 1 93 93 ALA H H 1 9.021 0.01 . 1 . . . . . . . . 5226 1 1149 . 1 1 93 93 ALA HA H 1 5.468 0.02 . 1 . . . . . . . . 5226 1 1150 . 1 1 93 93 ALA HB1 H 1 1.394 0.02 . 1 . . . . . . . . 5226 1 1151 . 1 1 93 93 ALA HB2 H 1 1.394 0.02 . 1 . . . . . . . . 5226 1 1152 . 1 1 93 93 ALA HB3 H 1 1.394 0.02 . 1 . . . . . . . . 5226 1 1153 . 1 1 93 93 ALA N N 15 131.496 0.07 . 1 . . . . . . . . 5226 1 1154 . 1 1 93 93 ALA CA C 13 50.578 0.24 . 1 . . . . . . . . 5226 1 1155 . 1 1 93 93 ALA C C 13 177.043 0.12 . 1 . . . . . . . . 5226 1 1156 . 1 1 93 93 ALA CB C 13 20.503 0.27 . 1 . . . . . . . . 5226 1 1157 . 1 1 94 94 ILE H H 1 9.145 0.01 . 1 . . . . . . . . 5226 1 1158 . 1 1 94 94 ILE HA H 1 5.245 0.02 . 1 . . . . . . . . 5226 1 1159 . 1 1 94 94 ILE HB H 1 1.730 0.02 . 1 . . . . . . . . 5226 1 1160 . 1 1 94 94 ILE HG12 H 1 1.463 0.02 . 2 . . . . . . . . 5226 1 1161 . 1 1 94 94 ILE HG13 H 1 1.027 0.02 . 2 . . . . . . . . 5226 1 1162 . 1 1 94 94 ILE HG21 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 1163 . 1 1 94 94 ILE HG22 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 1164 . 1 1 94 94 ILE HG23 H 1 0.794 0.02 . 1 . . . . . . . . 5226 1 1165 . 1 1 94 94 ILE HD11 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1166 . 1 1 94 94 ILE HD12 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1167 . 1 1 94 94 ILE HD13 H 1 0.707 0.02 . 1 . . . . . . . . 5226 1 1168 . 1 1 94 94 ILE N N 15 119.310 0.07 . 1 . . . . . . . . 5226 1 1169 . 1 1 94 94 ILE CA C 13 58.925 0.24 . 1 . . . . . . . . 5226 1 1170 . 1 1 94 94 ILE C C 13 173.577 0.12 . 1 . . . . . . . . 5226 1 1171 . 1 1 94 94 ILE CB C 13 41.209 0.27 . 1 . . . . . . . . 5226 1 1172 . 1 1 94 94 ILE CG1 C 13 26.372 0.28 . 1 . . . . . . . . 5226 1 1173 . 1 1 94 94 ILE CG2 C 13 18.817 0.28 . 1 . . . . . . . . 5226 1 1174 . 1 1 94 94 ILE CD1 C 13 13.508 0.28 . 1 . . . . . . . . 5226 1 1175 . 1 1 95 95 ARG H H 1 8.910 0.01 . 1 . . . . . . . . 5226 1 1176 . 1 1 95 95 ARG HA H 1 5.413 0.02 . 1 . . . . . . . . 5226 1 1177 . 1 1 95 95 ARG HB2 H 1 1.766 0.02 . 1 . . . . . . . . 5226 1 1178 . 1 1 95 95 ARG HB3 H 1 1.766 0.02 . 1 . . . . . . . . 5226 1 1179 . 1 1 95 95 ARG HG2 H 1 1.522 0.02 . 1 . . . . . . . . 5226 1 1180 . 1 1 95 95 ARG HG3 H 1 1.522 0.02 . 1 . . . . . . . . 5226 1 1181 . 1 1 95 95 ARG HD2 H 1 3.156 0.02 . 2 . . . . . . . . 5226 1 1182 . 1 1 95 95 ARG HD3 H 1 3.095 0.02 . 2 . . . . . . . . 5226 1 1183 . 1 1 95 95 ARG N N 15 120.723 0.07 . 1 . . . . . . . . 5226 1 1184 . 1 1 95 95 ARG CA C 13 53.756 0.24 . 1 . . . . . . . . 5226 1 1185 . 1 1 95 95 ARG C C 13 174.679 0.12 . 1 . . . . . . . . 5226 1 1186 . 1 1 95 95 ARG CB C 13 35.313 0.27 . 1 . . . . . . . . 5226 1 1187 . 1 1 95 95 ARG CG C 13 27.092 0.28 . 1 . . . . . . . . 5226 1 1188 . 1 1 95 95 ARG CD C 13 43.936 0.28 . 1 . . . . . . . . 5226 1 1189 . 1 1 96 96 LYS H H 1 8.596 0.01 . 1 . . . . . . . . 5226 1 1190 . 1 1 96 96 LYS HA H 1 4.748 0.02 . 1 . . . . . . . . 5226 1 1191 . 1 1 96 96 LYS HB2 H 1 1.583 0.02 . 2 . . . . . . . . 5226 1 1192 . 1 1 96 96 LYS HB3 H 1 1.895 0.02 . 2 . . . . . . . . 5226 1 1193 . 1 1 96 96 LYS HG2 H 1 1.426 0.02 . 2 . . . . . . . . 5226 1 1194 . 1 1 96 96 LYS HG3 H 1 1.505 0.02 . 2 . . . . . . . . 5226 1 1195 . 1 1 96 96 LYS HD2 H 1 1.692 0.02 . 1 . . . . . . . . 5226 1 1196 . 1 1 96 96 LYS HD3 H 1 1.692 0.02 . 1 . . . . . . . . 5226 1 1197 . 1 1 96 96 LYS HE2 H 1 2.941 0.02 . 1 . . . . . . . . 5226 1 1198 . 1 1 96 96 LYS HE3 H 1 2.941 0.02 . 1 . . . . . . . . 5226 1 1199 . 1 1 96 96 LYS N N 15 124.902 0.07 . 1 . . . . . . . . 5226 1 1200 . 1 1 96 96 LYS CA C 13 56.112 0.24 . 1 . . . . . . . . 5226 1 1201 . 1 1 96 96 LYS C C 13 175.559 0.12 . 1 . . . . . . . . 5226 1 1202 . 1 1 96 96 LYS CB C 13 33.981 0.27 . 1 . . . . . . . . 5226 1 1203 . 1 1 96 96 LYS CG C 13 25.257 0.28 . 1 . . . . . . . . 5226 1 1204 . 1 1 96 96 LYS CD C 13 29.834 0.28 . 1 . . . . . . . . 5226 1 1205 . 1 1 96 96 LYS CE C 13 42.175 0.28 . 1 . . . . . . . . 5226 1 1206 . 1 1 97 97 LYS H H 1 8.190 0.01 . 1 . . . . . . . . 5226 1 1207 . 1 1 97 97 LYS HA H 1 4.070 0.02 . 1 . . . . . . . . 5226 1 1208 . 1 1 97 97 LYS HB2 H 1 1.451 0.02 . 2 . . . . . . . . 5226 1 1209 . 1 1 97 97 LYS HB3 H 1 1.727 0.02 . 2 . . . . . . . . 5226 1 1210 . 1 1 97 97 LYS HG2 H 1 1.248 0.02 . 1 . . . . . . . . 5226 1 1211 . 1 1 97 97 LYS HG3 H 1 1.248 0.02 . 1 . . . . . . . . 5226 1 1212 . 1 1 97 97 LYS HD2 H 1 1.558 0.02 . 1 . . . . . . . . 5226 1 1213 . 1 1 97 97 LYS HD3 H 1 1.558 0.02 . 1 . . . . . . . . 5226 1 1214 . 1 1 97 97 LYS HE2 H 1 2.855 0.02 . 1 . . . . . . . . 5226 1 1215 . 1 1 97 97 LYS HE3 H 1 2.855 0.02 . 1 . . . . . . . . 5226 1 1216 . 1 1 97 97 LYS N N 15 131.905 0.07 . 1 . . . . . . . . 5226 1 1217 . 1 1 97 97 LYS CA C 13 57.987 0.24 . 1 . . . . . . . . 5226 1 1218 . 1 1 97 97 LYS C C 13 181.066 0.12 . 1 . . . . . . . . 5226 1 1219 . 1 1 97 97 LYS CB C 13 33.916 0.27 . 1 . . . . . . . . 5226 1 1220 . 1 1 97 97 LYS CG C 13 25.183 0.28 . 1 . . . . . . . . 5226 1 1221 . 1 1 97 97 LYS CD C 13 29.398 0.28 . 1 . . . . . . . . 5226 1 1222 . 1 1 97 97 LYS CE C 13 41.920 0.28 . 1 . . . . . . . . 5226 1 stop_ save_