data_4047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4047 _Entry.Title ; 1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three- Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 1997-07-27 _Entry.Accession_date 1997-07-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Hans Vis . . . 4047 2 Rolf Boelens . . . 4047 3 Matteo Mariani . . . 4047 4 Ralf Stroop . . . 4047 5 Constantin Vorgias . E. . 4047 6 Keith Wilson . S. . 4047 7 Robert Kaptein . . . 4047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 639 4047 '13C chemical shifts' 418 4047 '15N chemical shifts' 112 4047 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 . . 1999-08-18 . reformat BMRB 'format updated to NMR-STAR version 2.1' 4047 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4047 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 95086081 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Vis, H., Boelens, R., Mariani, M., Stroop, R., Vorgias, C. E., Wilson, K., and Kaptein, R., '1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three-Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy," Biochemistry 33, 14858-14870, (1994). ; _Citation.Title ; 1H, 13C, 15N Resonance Assignments and Secondary Structure Analysis of the HU Protein from Bacillus stearothermophilus Using Two- and Three- Dimensional Double- and Triple-Resonance Heteronuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 33 _Citation.Journal_issue 49 _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 14858 _Citation.Page_last 14870 _Citation.Year 1994 _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 Hans Vis . . . 4047 1 2 Rolf Boelens . . . 4047 1 3 Matteo Mariani . . . 4047 1 4 Ralf Stroop . . . 4047 1 5 Constantin Vorgias . E. . 4047 1 6 Keith Wilson . S. . 4047 1 7 Robert Kaptein . . . 4047 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4047 1 'nuclear magnetic resonance' 4047 1 'Histone-like protein' 4047 1 'resonance assignments' 4047 1 'HU Protein' 4047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HUBst _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HUBst _Assembly.Entry_ID 4047 _Assembly.ID 1 _Assembly.Name 'HU protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; HU protein binds non-specifically to both single and double-strnded DNA and to RNA. It is involved in transcription activation, in-site specific recombination, and in initiation of DNA replication. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4047 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 HUBst 1 $HUBst . . . native . . . . . 4047 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1hue . . . . . . 4047 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HU protein' system 4047 1 HUBst abbreviation 4047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HUBst _Entity.Sf_category entity _Entity.Sf_framecode HUBst _Entity.Entry_ID 4047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HU protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKTELINAVAETSGLSKKD ATKAVDAVFDSITEALRKGD KVQLIGFGNFEVRERAARKG RNPQTGEEMEIPASKVPAFK PGKALKDAVK ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HUE . "Histone-Like Protein" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 2 no PDB 1HUU . "Dna-Binding Protein Hu From Bacillus Stearothermophilus" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 3 no DBJ BAA07273 . "DNA binding protein HU [Geobacillus stearothermophilus]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 4 no DBJ BAD76500 . "DNA-binding protein HU (DNA-binding protein II) [Geobacillus kaustophilus HTA426]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 5 no DBJ GAD12440 . "DNA-binding protein HU [Geobacillus kaustophilus GBlys]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 6 no DBJ GAJ40216 . "DNA-binding protein HU [Geobacillus caldoxylosilyticus NBRC 107762]" . . . . . 100.00 90 98.89 100.00 5.46e-55 . . . . 4047 1 7 no DBJ GAJ58439 . "DNA-binding protein HU DNA-binding protein II [Geobacillus thermoleovorans B23]" . . . . . 100.00 93 100.00 100.00 1.37e-55 . . . . 4047 1 8 no GB AAA22532 . "hubst, partial [Geobacillus stearothermophilus]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 9 no GB AAA22533 . "hubcalx, partial [, partial [[Bacillus] caldotenax]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 10 no GB AAA22534 . "hubcald, partial [, partial [[Bacillus] caldolyticus]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 11 no GB ABO67501 . "DNA binding protein HU [Geobacillus thermodenitrificans NG80-2]" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 12 no GB ACS24864 . "histone family protein DNA-binding protein [Geobacillus sp. WCH70]" . . . . . 100.00 90 97.78 100.00 2.46e-54 . . . . 4047 1 13 no PRF 2106156A . "DNA-binding protein HU" . . . . . 101.11 90 97.80 97.80 2.48e-51 . . . . 4047 1 14 no REF WP_015864289 . "transcriptional regulator [Geobacillus sp. WCH70]" . . . . . 100.00 90 97.78 100.00 2.46e-54 . . . . 4047 1 15 no REF WP_017436779 . "MULTISPECIES: transcriptional regulator [Geobacillus]" . . . . . 100.00 90 98.89 100.00 5.46e-55 . . . . 4047 1 16 no REF WP_020755319 . "MULTISPECIES: DNA-binding protein HU [Bacillaceae]" . . . . . 100.00 93 100.00 100.00 1.37e-55 . . . . 4047 1 17 no REF WP_033013995 . "MULTISPECIES: DNA-binding protein [Geobacillus]" . . . . . 100.00 93 100.00 100.00 1.31e-55 . . . . 4047 1 18 no REF WP_044731005 . "DNA-binding protein [Geobacillus kaustophilus]" . . . . . 100.00 93 98.89 98.89 6.03e-55 . . . . 4047 1 19 no SP P0A3H0 . "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 20 no SP P0A3H1 . "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 21 no SP P0A3H2 . "RecName: Full=DNA-binding protein HU; AltName: Full=DNA-binding protein II; AltName: Full=HB" . . . . . 100.00 90 100.00 100.00 1.27e-55 . . . . 4047 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HU protein' common 4047 1 HUBst variant 4047 1 HUBst abbreviation 4047 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4047 1 2 2 ASN . 4047 1 3 3 LYS . 4047 1 4 4 THR . 4047 1 5 5 GLU . 4047 1 6 6 LEU . 4047 1 7 7 ILE . 4047 1 8 8 ASN . 4047 1 9 9 ALA . 4047 1 10 10 VAL . 4047 1 11 11 ALA . 4047 1 12 12 GLU . 4047 1 13 13 THR . 4047 1 14 14 SER . 4047 1 15 15 GLY . 4047 1 16 16 LEU . 4047 1 17 17 SER . 4047 1 18 18 LYS . 4047 1 19 19 LYS . 4047 1 20 20 ASP . 4047 1 21 21 ALA . 4047 1 22 22 THR . 4047 1 23 23 LYS . 4047 1 24 24 ALA . 4047 1 25 25 VAL . 4047 1 26 26 ASP . 4047 1 27 27 ALA . 4047 1 28 28 VAL . 4047 1 29 29 PHE . 4047 1 30 30 ASP . 4047 1 31 31 SER . 4047 1 32 32 ILE . 4047 1 33 33 THR . 4047 1 34 34 GLU . 4047 1 35 35 ALA . 4047 1 36 36 LEU . 4047 1 37 37 ARG . 4047 1 38 38 LYS . 4047 1 39 39 GLY . 4047 1 40 40 ASP . 4047 1 41 41 LYS . 4047 1 42 42 VAL . 4047 1 43 43 GLN . 4047 1 44 44 LEU . 4047 1 45 45 ILE . 4047 1 46 46 GLY . 4047 1 47 47 PHE . 4047 1 48 48 GLY . 4047 1 49 49 ASN . 4047 1 50 50 PHE . 4047 1 51 51 GLU . 4047 1 52 52 VAL . 4047 1 53 53 ARG . 4047 1 54 54 GLU . 4047 1 55 55 ARG . 4047 1 56 56 ALA . 4047 1 57 57 ALA . 4047 1 58 58 ARG . 4047 1 59 59 LYS . 4047 1 60 60 GLY . 4047 1 61 61 ARG . 4047 1 62 62 ASN . 4047 1 63 63 PRO . 4047 1 64 64 GLN . 4047 1 65 65 THR . 4047 1 66 66 GLY . 4047 1 67 67 GLU . 4047 1 68 68 GLU . 4047 1 69 69 MET . 4047 1 70 70 GLU . 4047 1 71 71 ILE . 4047 1 72 72 PRO . 4047 1 73 73 ALA . 4047 1 74 74 SER . 4047 1 75 75 LYS . 4047 1 76 76 VAL . 4047 1 77 77 PRO . 4047 1 78 78 ALA . 4047 1 79 79 PHE . 4047 1 80 80 LYS . 4047 1 81 81 PRO . 4047 1 82 82 GLY . 4047 1 83 83 LYS . 4047 1 84 84 ALA . 4047 1 85 85 LEU . 4047 1 86 86 LYS . 4047 1 87 87 ASP . 4047 1 88 88 ALA . 4047 1 89 89 VAL . 4047 1 90 90 LYS . 4047 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 4047 1 . ASN 2 2 4047 1 . LYS 3 3 4047 1 . THR 4 4 4047 1 . GLU 5 5 4047 1 . LEU 6 6 4047 1 . ILE 7 7 4047 1 . ASN 8 8 4047 1 . ALA 9 9 4047 1 . VAL 10 10 4047 1 . ALA 11 11 4047 1 . GLU 12 12 4047 1 . THR 13 13 4047 1 . SER 14 14 4047 1 . GLY 15 15 4047 1 . LEU 16 16 4047 1 . SER 17 17 4047 1 . LYS 18 18 4047 1 . LYS 19 19 4047 1 . ASP 20 20 4047 1 . ALA 21 21 4047 1 . THR 22 22 4047 1 . LYS 23 23 4047 1 . ALA 24 24 4047 1 . VAL 25 25 4047 1 . ASP 26 26 4047 1 . ALA 27 27 4047 1 . VAL 28 28 4047 1 . PHE 29 29 4047 1 . ASP 30 30 4047 1 . SER 31 31 4047 1 . ILE 32 32 4047 1 . THR 33 33 4047 1 . GLU 34 34 4047 1 . ALA 35 35 4047 1 . LEU 36 36 4047 1 . ARG 37 37 4047 1 . LYS 38 38 4047 1 . GLY 39 39 4047 1 . ASP 40 40 4047 1 . LYS 41 41 4047 1 . VAL 42 42 4047 1 . GLN 43 43 4047 1 . LEU 44 44 4047 1 . ILE 45 45 4047 1 . GLY 46 46 4047 1 . PHE 47 47 4047 1 . GLY 48 48 4047 1 . ASN 49 49 4047 1 . PHE 50 50 4047 1 . GLU 51 51 4047 1 . VAL 52 52 4047 1 . ARG 53 53 4047 1 . GLU 54 54 4047 1 . ARG 55 55 4047 1 . ALA 56 56 4047 1 . ALA 57 57 4047 1 . ARG 58 58 4047 1 . LYS 59 59 4047 1 . GLY 60 60 4047 1 . ARG 61 61 4047 1 . ASN 62 62 4047 1 . PRO 63 63 4047 1 . GLN 64 64 4047 1 . THR 65 65 4047 1 . GLY 66 66 4047 1 . GLU 67 67 4047 1 . GLU 68 68 4047 1 . MET 69 69 4047 1 . GLU 70 70 4047 1 . ILE 71 71 4047 1 . PRO 72 72 4047 1 . ALA 73 73 4047 1 . SER 74 74 4047 1 . LYS 75 75 4047 1 . VAL 76 76 4047 1 . PRO 77 77 4047 1 . ALA 78 78 4047 1 . PHE 79 79 4047 1 . LYS 80 80 4047 1 . PRO 81 81 4047 1 . GLY 82 82 4047 1 . LYS 83 83 4047 1 . ALA 84 84 4047 1 . LEU 85 85 4047 1 . LYS 86 86 4047 1 . ASP 87 87 4047 1 . ALA 88 88 4047 1 . VAL 89 89 4047 1 . LYS 90 90 4047 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 4047 _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 $HUBst . 1422 . . 'Bacillus stearothermophilus' 'B. stearothermophilus' . . Eubacteria . Bacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 4047 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 4047 _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 $HUBst . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; Cloning of the HU gene and overproduction os the protein were described by: Padas, P.M., Wilson, K.S. and Vorgias, C.E., (1992) Gene 117 39-44. ; . . 4047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4047 _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 'HU protein' '[U-13C; U-15N]' . . 1 $HUBst . . 2.2 . . mM . . . . 4047 1 2 D2O . . . . . . . 5 . . % . . . . 4047 1 3 H2O . . . . . . . 95 . . % . . . . 4047 1 4 'Phosphate buffer' . . . . . . . 50 . . mM . . . . 4047 1 5 KCL . . . . . . . 200 . . mM . . . . 4047 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4047 _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 4.6 . na 4047 1 temperature 311 . K 4047 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4047 _Entity_purity_list.ID 1 _Entity_purity_list.Details ; The purity was over 95% as judged by the SDS-PAGE and silver staining. The recombinant HU was as active as the protein purified from B. stearothermopilus with respect to its DNA binding properties. ; loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_one 1 $HUBst 95 % 'SDS-PAGE and silver staining' . 4047 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX600 _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 4047 _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_one Bruker AMX600 . 600 . . . 4047 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 4047 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4047 _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 TSP 'methyl protons' . . . . ppm 0 internal direct . . . . . . . . . . 4047 1 C 13 TMS 'methyl carbons' . . . . ppm 0 . . . . . . . . . . . . 4047 1 N 15 NH4CL nitrogen . . . . ppm . . . . . . . . . . . . . 4047 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_chemical_shift_assignment_HUBst _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_HUBst _Assigned_chem_shift_list.Entry_ID 4047 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4047 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 5.07 0.04 . 1 . . . . . . . . 4047 1 2 . 1 1 1 1 MET HB2 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 3 . 1 1 1 1 MET HB3 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 4 . 1 1 1 1 MET HG2 H 1 2.36 0.04 . 2 . . . . . . . . 4047 1 5 . 1 1 1 1 MET HG3 H 1 2.25 0.04 . 2 . . . . . . . . 4047 1 6 . 1 1 1 1 MET HE1 H 1 2.15 0.04 . 1 . . . . . . . . 4047 1 7 . 1 1 1 1 MET HE2 H 1 2.15 0.04 . 1 . . . . . . . . 4047 1 8 . 1 1 1 1 MET HE3 H 1 2.15 0.04 . 1 . . . . . . . . 4047 1 9 . 1 1 1 1 MET C C 13 169.8 0.2 . 1 . . . . . . . . 4047 1 10 . 1 1 1 1 MET CA C 13 53.00 0.2 . 1 . . . . . . . . 4047 1 11 . 1 1 1 1 MET CB C 13 28.8 0.2 . 1 . . . . . . . . 4047 1 12 . 1 1 1 1 MET CG C 13 32.2 0.2 . 1 . . . . . . . . 4047 1 13 . 1 1 1 1 MET CE C 13 15.9 0.2 . 1 . . . . . . . . 4047 1 14 . 1 1 2 2 ASN H H 1 8.97 0.04 . 1 . . . . . . . . 4047 1 15 . 1 1 2 2 ASN HA H 1 5.94 0.04 . 1 . . . . . . . . 4047 1 16 . 1 1 2 2 ASN HB2 H 1 3.69 0.04 . 2 . . . . . . . . 4047 1 17 . 1 1 2 2 ASN HB3 H 1 3.21 0.04 . 2 . . . . . . . . 4047 1 18 . 1 1 2 2 ASN HD21 H 1 7.57 0.04 . 2 . . . . . . . . 4047 1 19 . 1 1 2 2 ASN HD22 H 1 7.01 0.04 . 2 . . . . . . . . 4047 1 20 . 1 1 2 2 ASN C C 13 173.7 0.2 . 1 . . . . . . . . 4047 1 21 . 1 1 2 2 ASN CA C 13 49.00 0.2 . 1 . . . . . . . . 4047 1 22 . 1 1 2 2 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . 4047 1 23 . 1 1 2 2 ASN CG C 13 173.9 0.2 . 1 . . . . . . . . 4047 1 24 . 1 1 2 2 ASN N N 15 129.2 0.2 . 1 . . . . . . . . 4047 1 25 . 1 1 2 2 ASN ND2 N 15 111.4 0.2 . 1 . . . . . . . . 4047 1 26 . 1 1 3 3 LYS H H 1 8.7 0.04 . 1 . . . . . . . . 4047 1 27 . 1 1 3 3 LYS HA H 1 3.95 0.04 . 1 . . . . . . . . 4047 1 28 . 1 1 3 3 LYS HB2 H 1 2.24 0.04 . 2 . . . . . . . . 4047 1 29 . 1 1 3 3 LYS HB3 H 1 2.11 0.04 . 2 . . . . . . . . 4047 1 30 . 1 1 3 3 LYS HG2 H 1 1.7 0.04 . 1 . . . . . . . . 4047 1 31 . 1 1 3 3 LYS HG3 H 1 1.7 0.04 . 1 . . . . . . . . 4047 1 32 . 1 1 3 3 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 33 . 1 1 3 3 LYS CA C 13 59.2 0.2 . 1 . . . . . . . . 4047 1 34 . 1 1 3 3 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . 4047 1 35 . 1 1 3 3 LYS CG C 13 23.8 0.2 . 1 . . . . . . . . 4047 1 36 . 1 1 3 3 LYS N N 15 119.6 0.2 . 1 . . . . . . . . 4047 1 37 . 1 1 4 4 THR H H 1 7.98 0.04 . 1 . . . . . . . . 4047 1 38 . 1 1 4 4 THR HA H 1 3.99 0.04 . 1 . . . . . . . . 4047 1 39 . 1 1 4 4 THR HB H 1 4.37 0.04 . 1 . . . . . . . . 4047 1 40 . 1 1 4 4 THR HG21 H 1 1.38 0.04 . 1 . . . . . . . . 4047 1 41 . 1 1 4 4 THR HG22 H 1 1.38 0.04 . 1 . . . . . . . . 4047 1 42 . 1 1 4 4 THR HG23 H 1 1.38 0.04 . 1 . . . . . . . . 4047 1 43 . 1 1 4 4 THR C C 13 174.3 0.2 . 1 . . . . . . . . 4047 1 44 . 1 1 4 4 THR CA C 13 65.1 0.2 . 1 . . . . . . . . 4047 1 45 . 1 1 4 4 THR CB C 13 66.9 0.2 . 1 . . . . . . . . 4047 1 46 . 1 1 4 4 THR CG2 C 13 20.00 0.2 . 1 . . . . . . . . 4047 1 47 . 1 1 4 4 THR N N 15 116.2 0.2 . 1 . . . . . . . . 4047 1 48 . 1 1 5 5 GLU H H 1 8.43 0.04 . 1 . . . . . . . . 4047 1 49 . 1 1 5 5 GLU HA H 1 4.19 0.04 . 1 . . . . . . . . 4047 1 50 . 1 1 5 5 GLU HB2 H 1 2.18 0.04 . 1 . . . . . . . . 4047 1 51 . 1 1 5 5 GLU HB3 H 1 2.18 0.04 . 1 . . . . . . . . 4047 1 52 . 1 1 5 5 GLU HG2 H 1 2.67 0.04 . 1 . . . . . . . . 4047 1 53 . 1 1 5 5 GLU HG3 H 1 2.49 0.04 . 2 . . . . . . . . 4047 1 54 . 1 1 5 5 GLU C C 13 177.7 0.2 . 1 . . . . . . . . 4047 1 55 . 1 1 5 5 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 4047 1 56 . 1 1 5 5 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 4047 1 57 . 1 1 5 5 GLU CG C 13 35.00 0.2 . 1 . . . . . . . . 4047 1 58 . 1 1 5 5 GLU CD C 13 181.2 0.2 . 1 . . . . . . . . 4047 1 59 . 1 1 5 5 GLU N N 15 122.2 0.2 . 1 . . . . . . . . 4047 1 60 . 1 1 6 6 LEU H H 1 8.72 0.04 . 1 . . . . . . . . 4047 1 61 . 1 1 6 6 LEU HA H 1 4.44 0.04 . 1 . . . . . . . . 4047 1 62 . 1 1 6 6 LEU HB2 H 1 2.36 0.04 . 2 . . . . . . . . 4047 1 63 . 1 1 6 6 LEU HB3 H 1 1.65 0.04 . 2 . . . . . . . . 4047 1 64 . 1 1 6 6 LEU HG H 1 1.07 0.04 . 1 . . . . . . . . 4047 1 65 . 1 1 6 6 LEU HD11 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 66 . 1 1 6 6 LEU HD12 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 67 . 1 1 6 6 LEU HD13 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 68 . 1 1 6 6 LEU HD21 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 69 . 1 1 6 6 LEU HD22 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 70 . 1 1 6 6 LEU HD23 H 1 1.16 0.04 . 1 . . . . . . . . 4047 1 71 . 1 1 6 6 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 4047 1 72 . 1 1 6 6 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 4047 1 73 . 1 1 6 6 LEU CB C 13 39.2 0.2 . 1 . . . . . . . . 4047 1 74 . 1 1 6 6 LEU CG C 13 25.7 0.2 . 1 . . . . . . . . 4047 1 75 . 1 1 6 6 LEU CD1 C 13 22.1 0.2 . 1 . . . . . . . . 4047 1 76 . 1 1 6 6 LEU CD2 C 13 22.1 0.2 . 1 . . . . . . . . 4047 1 77 . 1 1 6 6 LEU N N 15 124.7 0.2 . 1 . . . . . . . . 4047 1 78 . 1 1 7 7 ILE H H 1 8.69 0.04 . 1 . . . . . . . . 4047 1 79 . 1 1 7 7 ILE HA H 1 3.44 0.04 . 1 . . . . . . . . 4047 1 80 . 1 1 7 7 ILE HB H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 81 . 1 1 7 7 ILE HG12 H 1 2.04 0.04 . 2 . . . . . . . . 4047 1 82 . 1 1 7 7 ILE HG13 H 1 0.94 0.04 . 2 . . . . . . . . 4047 1 83 . 1 1 7 7 ILE HG21 H 1 0.99 0.04 . 1 . . . . . . . . 4047 1 84 . 1 1 7 7 ILE HG22 H 1 0.99 0.04 . 1 . . . . . . . . 4047 1 85 . 1 1 7 7 ILE HG23 H 1 0.99 0.04 . 1 . . . . . . . . 4047 1 86 . 1 1 7 7 ILE HD11 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 87 . 1 1 7 7 ILE HD12 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 88 . 1 1 7 7 ILE HD13 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 89 . 1 1 7 7 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 90 . 1 1 7 7 ILE CA C 13 64.8 0.2 . 1 . . . . . . . . 4047 1 91 . 1 1 7 7 ILE CB C 13 35.8 0.2 . 1 . . . . . . . . 4047 1 92 . 1 1 7 7 ILE CG1 C 13 29.1 0.2 . 1 . . . . . . . . 4047 1 93 . 1 1 7 7 ILE CG2 C 13 15.8 0.2 . 1 . . . . . . . . 4047 1 94 . 1 1 7 7 ILE CD1 C 13 13.3 0.2 . 1 . . . . . . . . 4047 1 95 . 1 1 7 7 ILE N N 15 121.1 0.2 . 1 . . . . . . . . 4047 1 96 . 1 1 8 8 ASN H H 1 8.1 0.04 . 1 . . . . . . . . 4047 1 97 . 1 1 8 8 ASN HA H 1 4.47 0.04 . 1 . . . . . . . . 4047 1 98 . 1 1 8 8 ASN HB2 H 1 3.00 0.04 . 1 . . . . . . . . 4047 1 99 . 1 1 8 8 ASN HB3 H 1 3.00 0.04 . 1 . . . . . . . . 4047 1 100 . 1 1 8 8 ASN HD21 H 1 7.69 0.04 . 2 . . . . . . . . 4047 1 101 . 1 1 8 8 ASN HD22 H 1 6.89 0.04 . 2 . . . . . . . . 4047 1 102 . 1 1 8 8 ASN C C 13 175.6 0.2 . 1 . . . . . . . . 4047 1 103 . 1 1 8 8 ASN CA C 13 54.4 0.2 . 1 . . . . . . . . 4047 1 104 . 1 1 8 8 ASN CB C 13 35.8 0.2 . 1 . . . . . . . . 4047 1 105 . 1 1 8 8 ASN CG C 13 173.5 0.2 . 1 . . . . . . . . 4047 1 106 . 1 1 8 8 ASN N N 15 118.7 0.2 . 1 . . . . . . . . 4047 1 107 . 1 1 8 8 ASN ND2 N 15 111.6 0.2 . 1 . . . . . . . . 4047 1 108 . 1 1 9 9 ALA H H 1 8.22 0.04 . 1 . . . . . . . . 4047 1 109 . 1 1 9 9 ALA HA H 1 4.38 0.04 . 1 . . . . . . . . 4047 1 110 . 1 1 9 9 ALA HB1 H 1 1.69 0.04 . 1 . . . . . . . . 4047 1 111 . 1 1 9 9 ALA HB2 H 1 1.69 0.04 . 1 . . . . . . . . 4047 1 112 . 1 1 9 9 ALA HB3 H 1 1.69 0.04 . 1 . . . . . . . . 4047 1 113 . 1 1 9 9 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4047 1 114 . 1 1 9 9 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 4047 1 115 . 1 1 9 9 ALA CB C 13 15.7 0.2 . 1 . . . . . . . . 4047 1 116 . 1 1 9 9 ALA N N 15 124.9 0.2 . 1 . . . . . . . . 4047 1 117 . 1 1 10 10 VAL H H 1 8.97 0.04 . 1 . . . . . . . . 4047 1 118 . 1 1 10 10 VAL HA H 1 3.51 0.04 . 1 . . . . . . . . 4047 1 119 . 1 1 10 10 VAL HB H 1 2.34 0.04 . 1 . . . . . . . . 4047 1 120 . 1 1 10 10 VAL HG11 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 121 . 1 1 10 10 VAL HG12 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 122 . 1 1 10 10 VAL HG13 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 123 . 1 1 10 10 VAL HG21 H 1 0.91 0.04 . 2 . . . . . . . . 4047 1 124 . 1 1 10 10 VAL HG22 H 1 0.91 0.04 . 2 . . . . . . . . 4047 1 125 . 1 1 10 10 VAL HG23 H 1 0.91 0.04 . 2 . . . . . . . . 4047 1 126 . 1 1 10 10 VAL C C 13 177.7 0.2 . 1 . . . . . . . . 4047 1 127 . 1 1 10 10 VAL CA C 13 64.3 0.2 . 1 . . . . . . . . 4047 1 128 . 1 1 10 10 VAL CB C 13 29.4 0.2 . 1 . . . . . . . . 4047 1 129 . 1 1 10 10 VAL CG1 C 13 21.8 0.2 . 2 . . . . . . . . 4047 1 130 . 1 1 10 10 VAL CG2 C 13 18.00 0.2 . 2 . . . . . . . . 4047 1 131 . 1 1 10 10 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 4047 1 132 . 1 1 11 11 ALA H H 1 9.08 0.04 . 1 . . . . . . . . 4047 1 133 . 1 1 11 11 ALA HA H 1 3.92 0.04 . 1 . . . . . . . . 4047 1 134 . 1 1 11 11 ALA HB1 H 1 1.54 0.04 . 1 . . . . . . . . 4047 1 135 . 1 1 11 11 ALA HB2 H 1 1.54 0.04 . 1 . . . . . . . . 4047 1 136 . 1 1 11 11 ALA HB3 H 1 1.54 0.04 . 1 . . . . . . . . 4047 1 137 . 1 1 11 11 ALA C C 13 176.8 0.2 . 1 . . . . . . . . 4047 1 138 . 1 1 11 11 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 4047 1 139 . 1 1 11 11 ALA CB C 13 15.6 0.2 . 1 . . . . . . . . 4047 1 140 . 1 1 11 11 ALA N N 15 127.8 0.2 . 1 . . . . . . . . 4047 1 141 . 1 1 12 12 GLU H H 1 8.14 0.04 . 1 . . . . . . . . 4047 1 142 . 1 1 12 12 GLU HA H 1 4.13 0.04 . 1 . . . . . . . . 4047 1 143 . 1 1 12 12 GLU HB2 H 1 2.3 0.04 . 2 . . . . . . . . 4047 1 144 . 1 1 12 12 GLU HB3 H 1 2.23 0.04 . 2 . . . . . . . . 4047 1 145 . 1 1 12 12 GLU HG2 H 1 2.5 0.04 . 1 . . . . . . . . 4047 1 146 . 1 1 12 12 GLU HG3 H 1 2.45 0.04 . 2 . . . . . . . . 4047 1 147 . 1 1 12 12 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 4047 1 148 . 1 1 12 12 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 4047 1 149 . 1 1 12 12 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 4047 1 150 . 1 1 12 12 GLU CG C 13 33.8 0.2 . 1 . . . . . . . . 4047 1 151 . 1 1 12 12 GLU CD C 13 182.2 0.2 . 1 . . . . . . . . 4047 1 152 . 1 1 12 12 GLU N N 15 117.3 0.2 . 1 . . . . . . . . 4047 1 153 . 1 1 13 13 THR H H 1 8.23 0.04 . 1 . . . . . . . . 4047 1 154 . 1 1 13 13 THR HA H 1 4.24 0.04 . 1 . . . . . . . . 4047 1 155 . 1 1 13 13 THR HB H 1 4.21 0.04 . 1 . . . . . . . . 4047 1 156 . 1 1 13 13 THR HG21 H 1 1.41 0.04 . 1 . . . . . . . . 4047 1 157 . 1 1 13 13 THR HG22 H 1 1.41 0.04 . 1 . . . . . . . . 4047 1 158 . 1 1 13 13 THR HG23 H 1 1.41 0.04 . 1 . . . . . . . . 4047 1 159 . 1 1 13 13 THR C C 13 173.8 0.2 . 1 . . . . . . . . 4047 1 160 . 1 1 13 13 THR CA C 13 63.3 0.2 . 1 . . . . . . . . 4047 1 161 . 1 1 13 13 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 4047 1 162 . 1 1 13 13 THR CG2 C 13 20.00 0.2 . 1 . . . . . . . . 4047 1 163 . 1 1 13 13 THR N N 15 113.00 0.2 . 1 . . . . . . . . 4047 1 164 . 1 1 14 14 SER H H 1 8.33 0.04 . 1 . . . . . . . . 4047 1 165 . 1 1 14 14 SER HA H 1 4.46 0.04 . 1 . . . . . . . . 4047 1 166 . 1 1 14 14 SER HB2 H 1 3.87 0.04 . 2 . . . . . . . . 4047 1 167 . 1 1 14 14 SER HB3 H 1 3.73 0.04 . 2 . . . . . . . . 4047 1 168 . 1 1 14 14 SER C C 13 172.8 0.2 . 1 . . . . . . . . 4047 1 169 . 1 1 14 14 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 4047 1 170 . 1 1 14 14 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4047 1 171 . 1 1 14 14 SER N N 15 114.9 0.2 . 1 . . . . . . . . 4047 1 172 . 1 1 15 15 GLY H H 1 7.93 0.04 . 1 . . . . . . . . 4047 1 173 . 1 1 15 15 GLY HA2 H 1 4.27 0.04 . 2 . . . . . . . . 4047 1 174 . 1 1 15 15 GLY HA3 H 1 3.96 0.04 . 2 . . . . . . . . 4047 1 175 . 1 1 15 15 GLY C C 13 172.2 0.2 . 1 . . . . . . . . 4047 1 176 . 1 1 15 15 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 4047 1 177 . 1 1 15 15 GLY N N 15 112.00 0.2 . 1 . . . . . . . . 4047 1 178 . 1 1 16 16 LEU H H 1 7.75 0.04 . 1 . . . . . . . . 4047 1 179 . 1 1 16 16 LEU HA H 1 4.62 0.04 . 1 . . . . . . . . 4047 1 180 . 1 1 16 16 LEU HB2 H 1 1.72 0.04 . 2 . . . . . . . . 4047 1 181 . 1 1 16 16 LEU HB3 H 1 1.48 0.04 . 2 . . . . . . . . 4047 1 182 . 1 1 16 16 LEU HG H 1 1.7 0.04 . 1 . . . . . . . . 4047 1 183 . 1 1 16 16 LEU HD11 H 1 0.92 0.04 . 2 . . . . . . . . 4047 1 184 . 1 1 16 16 LEU HD12 H 1 0.92 0.04 . 2 . . . . . . . . 4047 1 185 . 1 1 16 16 LEU HD13 H 1 0.92 0.04 . 2 . . . . . . . . 4047 1 186 . 1 1 16 16 LEU HD21 H 1 0.76 0.04 . 2 . . . . . . . . 4047 1 187 . 1 1 16 16 LEU HD22 H 1 0.76 0.04 . 2 . . . . . . . . 4047 1 188 . 1 1 16 16 LEU HD23 H 1 0.76 0.04 . 2 . . . . . . . . 4047 1 189 . 1 1 16 16 LEU C C 13 174.5 0.2 . 1 . . . . . . . . 4047 1 190 . 1 1 16 16 LEU CA C 13 51.9 0.2 . 1 . . . . . . . . 4047 1 191 . 1 1 16 16 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4047 1 192 . 1 1 16 16 LEU CG C 13 25.00 0.2 . 1 . . . . . . . . 4047 1 193 . 1 1 16 16 LEU CD1 C 13 20.8 0.2 . 2 . . . . . . . . 4047 1 194 . 1 1 16 16 LEU CD2 C 13 23.2 0.2 . 2 . . . . . . . . 4047 1 195 . 1 1 16 16 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4047 1 196 . 1 1 17 17 SER H H 1 9.06 0.04 . 1 . . . . . . . . 4047 1 197 . 1 1 17 17 SER HA H 1 4.49 0.04 . 1 . . . . . . . . 4047 1 198 . 1 1 17 17 SER HB2 H 1 4.48 0.04 . 2 . . . . . . . . 4047 1 199 . 1 1 17 17 SER HB3 H 1 4.25 0.04 . 2 . . . . . . . . 4047 1 200 . 1 1 17 17 SER C C 13 172.8 0.2 . 1 . . . . . . . . 4047 1 201 . 1 1 17 17 SER CA C 13 55.2 0.2 . 1 . . . . . . . . 4047 1 202 . 1 1 17 17 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 4047 1 203 . 1 1 17 17 SER N N 15 115.8 0.2 . 1 . . . . . . . . 4047 1 204 . 1 1 18 18 LYS H H 1 8.97 0.04 . 1 . . . . . . . . 4047 1 205 . 1 1 18 18 LYS HA H 1 3.89 0.04 . 1 . . . . . . . . 4047 1 206 . 1 1 18 18 LYS HB2 H 1 2.01 0.04 . 2 . . . . . . . . 4047 1 207 . 1 1 18 18 LYS HB3 H 1 1.97 0.04 . 2 . . . . . . . . 4047 1 208 . 1 1 18 18 LYS HG2 H 1 1.63 0.04 . 2 . . . . . . . . 4047 1 209 . 1 1 18 18 LYS HG3 H 1 1.47 0.04 . 2 . . . . . . . . 4047 1 210 . 1 1 18 18 LYS HD2 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 211 . 1 1 18 18 LYS HD3 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 212 . 1 1 18 18 LYS HE2 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 213 . 1 1 18 18 LYS HE3 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 214 . 1 1 18 18 LYS C C 13 178.00 0.2 . 1 . . . . . . . . 4047 1 215 . 1 1 18 18 LYS CA C 13 58.9 0.2 . 1 . . . . . . . . 4047 1 216 . 1 1 18 18 LYS CB C 13 29.8 0.2 . 1 . . . . . . . . 4047 1 217 . 1 1 18 18 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 4047 1 218 . 1 1 18 18 LYS CD C 13 27.1 0.2 . 1 . . . . . . . . 4047 1 219 . 1 1 18 18 LYS CE C 13 40.00 0.2 . 1 . . . . . . . . 4047 1 220 . 1 1 18 18 LYS N N 15 122.5 0.2 . 1 . . . . . . . . 4047 1 221 . 1 1 19 19 LYS H H 1 8.56 0.04 . 1 . . . . . . . . 4047 1 222 . 1 1 19 19 LYS HA H 1 4.17 0.04 . 1 . . . . . . . . 4047 1 223 . 1 1 19 19 LYS HB2 H 1 2.00 0.04 . 2 . . . . . . . . 4047 1 224 . 1 1 19 19 LYS HB3 H 1 1.87 0.04 . 2 . . . . . . . . 4047 1 225 . 1 1 19 19 LYS HG2 H 1 1.66 0.04 . 2 . . . . . . . . 4047 1 226 . 1 1 19 19 LYS HG3 H 1 1.53 0.04 . 2 . . . . . . . . 4047 1 227 . 1 1 19 19 LYS HD2 H 1 1.85 0.04 . 1 . . . . . . . . 4047 1 228 . 1 1 19 19 LYS HD3 H 1 1.85 0.04 . 1 . . . . . . . . 4047 1 229 . 1 1 19 19 LYS HE2 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 230 . 1 1 19 19 LYS HE3 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 231 . 1 1 19 19 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 4047 1 232 . 1 1 19 19 LYS CA C 13 58.00 0.2 . 1 . . . . . . . . 4047 1 233 . 1 1 19 19 LYS CB C 13 30.2 0.2 . 1 . . . . . . . . 4047 1 234 . 1 1 19 19 LYS CG C 13 22.6 0.2 . 1 . . . . . . . . 4047 1 235 . 1 1 19 19 LYS CD C 13 27.00 0.2 . 1 . . . . . . . . 4047 1 236 . 1 1 19 19 LYS CE C 13 40.2 0.2 . 1 . . . . . . . . 4047 1 237 . 1 1 19 19 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 4047 1 238 . 1 1 20 20 ASP H H 1 7.85 0.04 . 1 . . . . . . . . 4047 1 239 . 1 1 20 20 ASP HA H 1 4.66 0.04 . 1 . . . . . . . . 4047 1 240 . 1 1 20 20 ASP HB2 H 1 2.89 0.04 . 2 . . . . . . . . 4047 1 241 . 1 1 20 20 ASP HB3 H 1 2.57 0.04 . 2 . . . . . . . . 4047 1 242 . 1 1 20 20 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 4047 1 243 . 1 1 20 20 ASP CA C 13 55.5 0.2 . 1 . . . . . . . . 4047 1 244 . 1 1 20 20 ASP CB C 13 38.6 0.2 . 1 . . . . . . . . 4047 1 245 . 1 1 20 20 ASP CG C 13 175.9 0.2 . 1 . . . . . . . . 4047 1 246 . 1 1 20 20 ASP N N 15 122.6 0.2 . 1 . . . . . . . . 4047 1 247 . 1 1 21 21 ALA H H 1 9.27 0.04 . 1 . . . . . . . . 4047 1 248 . 1 1 21 21 ALA HA H 1 3.88 0.04 . 1 . . . . . . . . 4047 1 249 . 1 1 21 21 ALA HB1 H 1 1.45 0.04 . 1 . . . . . . . . 4047 1 250 . 1 1 21 21 ALA HB2 H 1 1.45 0.04 . 1 . . . . . . . . 4047 1 251 . 1 1 21 21 ALA HB3 H 1 1.45 0.04 . 1 . . . . . . . . 4047 1 252 . 1 1 21 21 ALA C C 13 176.6 0.2 . 1 . . . . . . . . 4047 1 253 . 1 1 21 21 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 4047 1 254 . 1 1 21 21 ALA CB C 13 16.7 0.2 . 1 . . . . . . . . 4047 1 255 . 1 1 21 21 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 4047 1 256 . 1 1 22 22 THR H H 1 8.26 0.04 . 1 . . . . . . . . 4047 1 257 . 1 1 22 22 THR HA H 1 3.79 0.04 . 1 . . . . . . . . 4047 1 258 . 1 1 22 22 THR HB H 1 4.56 0.04 . 1 . . . . . . . . 4047 1 259 . 1 1 22 22 THR HG21 H 1 1.34 0.04 . 1 . . . . . . . . 4047 1 260 . 1 1 22 22 THR HG22 H 1 1.34 0.04 . 1 . . . . . . . . 4047 1 261 . 1 1 22 22 THR HG23 H 1 1.34 0.04 . 1 . . . . . . . . 4047 1 262 . 1 1 22 22 THR C C 13 176.6 0.2 . 1 . . . . . . . . 4047 1 263 . 1 1 22 22 THR CA C 13 65.6 0.2 . 1 . . . . . . . . 4047 1 264 . 1 1 22 22 THR CB C 13 67.1 0.2 . 1 . . . . . . . . 4047 1 265 . 1 1 22 22 THR CG2 C 13 18.5 0.2 . 1 . . . . . . . . 4047 1 266 . 1 1 22 22 THR N N 15 115.9 0.2 . 1 . . . . . . . . 4047 1 267 . 1 1 23 23 LYS H H 1 7.43 0.04 . 1 . . . . . . . . 4047 1 268 . 1 1 23 23 LYS HA H 1 4.23 0.04 . 1 . . . . . . . . 4047 1 269 . 1 1 23 23 LYS HB2 H 1 2.15 0.04 . 2 . . . . . . . . 4047 1 270 . 1 1 23 23 LYS HB3 H 1 1.88 0.04 . 2 . . . . . . . . 4047 1 271 . 1 1 23 23 LYS HG2 H 1 1.73 0.04 . 1 . . . . . . . . 4047 1 272 . 1 1 23 23 LYS HG3 H 1 1.73 0.04 . 1 . . . . . . . . 4047 1 273 . 1 1 23 23 LYS HD2 H 1 1.95 0.04 . 1 . . . . . . . . 4047 1 274 . 1 1 23 23 LYS HD3 H 1 1.95 0.04 . 1 . . . . . . . . 4047 1 275 . 1 1 23 23 LYS HE2 H 1 3.16 0.04 . 1 . . . . . . . . 4047 1 276 . 1 1 23 23 LYS HE3 H 1 3.16 0.04 . 1 . . . . . . . . 4047 1 277 . 1 1 23 23 LYS C C 13 177.8 0.2 . 1 . . . . . . . . 4047 1 278 . 1 1 23 23 LYS CA C 13 57.2 0.2 . 1 . . . . . . . . 4047 1 279 . 1 1 23 23 LYS CB C 13 30.6 0.2 . 1 . . . . . . . . 4047 1 280 . 1 1 23 23 LYS CG C 13 22.9 0.2 . 1 . . . . . . . . 4047 1 281 . 1 1 23 23 LYS CD C 13 27.5 0.2 . 1 . . . . . . . . 4047 1 282 . 1 1 23 23 LYS CE C 13 40.3 0.2 . 1 . . . . . . . . 4047 1 283 . 1 1 23 23 LYS N N 15 119.2 0.2 . 1 . . . . . . . . 4047 1 284 . 1 1 24 24 ALA H H 1 8.38 0.04 . 1 . . . . . . . . 4047 1 285 . 1 1 24 24 ALA HA H 1 3.95 0.04 . 1 . . . . . . . . 4047 1 286 . 1 1 24 24 ALA HB1 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 287 . 1 1 24 24 ALA HB2 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 288 . 1 1 24 24 ALA HB3 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 289 . 1 1 24 24 ALA C C 13 176.1 0.2 . 1 . . . . . . . . 4047 1 290 . 1 1 24 24 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 4047 1 291 . 1 1 24 24 ALA CB C 13 16.2 0.2 . 1 . . . . . . . . 4047 1 292 . 1 1 24 24 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 4047 1 293 . 1 1 25 25 VAL H H 1 8.48 0.04 . 1 . . . . . . . . 4047 1 294 . 1 1 25 25 VAL HA H 1 3.28 0.04 . 1 . . . . . . . . 4047 1 295 . 1 1 25 25 VAL HB H 1 2.19 0.04 . 1 . . . . . . . . 4047 1 296 . 1 1 25 25 VAL HG11 H 1 1.07 0.04 . 2 . . . . . . . . 4047 1 297 . 1 1 25 25 VAL HG12 H 1 1.07 0.04 . 2 . . . . . . . . 4047 1 298 . 1 1 25 25 VAL HG13 H 1 1.07 0.04 . 2 . . . . . . . . 4047 1 299 . 1 1 25 25 VAL HG21 H 1 1.01 0.04 . 2 . . . . . . . . 4047 1 300 . 1 1 25 25 VAL HG22 H 1 1.01 0.04 . 2 . . . . . . . . 4047 1 301 . 1 1 25 25 VAL HG23 H 1 1.01 0.04 . 2 . . . . . . . . 4047 1 302 . 1 1 25 25 VAL C C 13 176.1 0.2 . 1 . . . . . . . . 4047 1 303 . 1 1 25 25 VAL CA C 13 65.9 0.2 . 1 . . . . . . . . 4047 1 304 . 1 1 25 25 VAL CB C 13 29.3 0.2 . 1 . . . . . . . . 4047 1 305 . 1 1 25 25 VAL CG1 C 13 22.4 0.2 . 2 . . . . . . . . 4047 1 306 . 1 1 25 25 VAL CG2 C 13 19.5 0.2 . 2 . . . . . . . . 4047 1 307 . 1 1 25 25 VAL N N 15 118.4 0.2 . 1 . . . . . . . . 4047 1 308 . 1 1 26 26 ASP H H 1 8.25 0.04 . 1 . . . . . . . . 4047 1 309 . 1 1 26 26 ASP HA H 1 4.61 0.04 . 1 . . . . . . . . 4047 1 310 . 1 1 26 26 ASP HB2 H 1 2.76 0.04 . 1 . . . . . . . . 4047 1 311 . 1 1 26 26 ASP HB3 H 1 2.76 0.04 . 1 . . . . . . . . 4047 1 312 . 1 1 26 26 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 4047 1 313 . 1 1 26 26 ASP CA C 13 55.5 0.2 . 1 . . . . . . . . 4047 1 314 . 1 1 26 26 ASP CB C 13 37.2 0.2 . 1 . . . . . . . . 4047 1 315 . 1 1 26 26 ASP CG C 13 176.4 0.2 . 1 . . . . . . . . 4047 1 316 . 1 1 26 26 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 4047 1 317 . 1 1 27 27 ALA H H 1 8.00 0.04 . 1 . . . . . . . . 4047 1 318 . 1 1 27 27 ALA HA H 1 4.38 0.04 . 1 . . . . . . . . 4047 1 319 . 1 1 27 27 ALA HB1 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 320 . 1 1 27 27 ALA HB2 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 321 . 1 1 27 27 ALA HB3 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 322 . 1 1 27 27 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4047 1 323 . 1 1 27 27 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 4047 1 324 . 1 1 27 27 ALA CB C 13 17.00 0.2 . 1 . . . . . . . . 4047 1 325 . 1 1 27 27 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4047 1 326 . 1 1 28 28 VAL H H 1 8.45 0.04 . 1 . . . . . . . . 4047 1 327 . 1 1 28 28 VAL HA H 1 3.33 0.04 . 1 . . . . . . . . 4047 1 328 . 1 1 28 28 VAL HB H 1 2.00 0.04 . 1 . . . . . . . . 4047 1 329 . 1 1 28 28 VAL HG11 H 1 1.00 0.04 . 2 . . . . . . . . 4047 1 330 . 1 1 28 28 VAL HG12 H 1 1.00 0.04 . 2 . . . . . . . . 4047 1 331 . 1 1 28 28 VAL HG13 H 1 1.00 0.04 . 2 . . . . . . . . 4047 1 332 . 1 1 28 28 VAL HG21 H 1 0.16 0.04 . 2 . . . . . . . . 4047 1 333 . 1 1 28 28 VAL HG22 H 1 0.16 0.04 . 2 . . . . . . . . 4047 1 334 . 1 1 28 28 VAL HG23 H 1 0.16 0.04 . 2 . . . . . . . . 4047 1 335 . 1 1 28 28 VAL C C 13 174.6 0.2 . 1 . . . . . . . . 4047 1 336 . 1 1 28 28 VAL CA C 13 65.1 0.2 . 1 . . . . . . . . 4047 1 337 . 1 1 28 28 VAL CB C 13 29.1 0.2 . 1 . . . . . . . . 4047 1 338 . 1 1 28 28 VAL CG1 C 13 22.9 0.2 . 2 . . . . . . . . 4047 1 339 . 1 1 28 28 VAL CG2 C 13 19.3 0.2 . 2 . . . . . . . . 4047 1 340 . 1 1 28 28 VAL N N 15 123.4 0.2 . 1 . . . . . . . . 4047 1 341 . 1 1 29 29 PHE H H 1 7.13 0.04 . 1 . . . . . . . . 4047 1 342 . 1 1 29 29 PHE HA H 1 3.9 0.04 . 1 . . . . . . . . 4047 1 343 . 1 1 29 29 PHE HB2 H 1 2.95 0.04 . 2 . . . . . . . . 4047 1 344 . 1 1 29 29 PHE HB3 H 1 2.88 0.04 . 2 . . . . . . . . 4047 1 345 . 1 1 29 29 PHE HD1 H 1 6.41 0.04 . 1 . . . . . . . . 4047 1 346 . 1 1 29 29 PHE HD2 H 1 6.41 0.04 . 1 . . . . . . . . 4047 1 347 . 1 1 29 29 PHE HE1 H 1 6.7 0.04 . 1 . . . . . . . . 4047 1 348 . 1 1 29 29 PHE HE2 H 1 6.7 0.04 . 1 . . . . . . . . 4047 1 349 . 1 1 29 29 PHE HZ H 1 6.59 0.04 . 1 . . . . . . . . 4047 1 350 . 1 1 29 29 PHE C C 13 177.2 0.2 . 1 . . . . . . . . 4047 1 351 . 1 1 29 29 PHE CA C 13 60.4 0.2 . 1 . . . . . . . . 4047 1 352 . 1 1 29 29 PHE CB C 13 35.3 0.2 . 1 . . . . . . . . 4047 1 353 . 1 1 29 29 PHE CD1 C 13 129.6 0.2 . 1 . . . . . . . . 4047 1 354 . 1 1 29 29 PHE CD2 C 13 129.6 0.2 . 1 . . . . . . . . 4047 1 355 . 1 1 29 29 PHE CE1 C 13 127.7 0.2 . 1 . . . . . . . . 4047 1 356 . 1 1 29 29 PHE CE2 C 13 127.7 0.2 . 1 . . . . . . . . 4047 1 357 . 1 1 29 29 PHE CZ C 13 126.8 0.2 . 1 . . . . . . . . 4047 1 358 . 1 1 29 29 PHE N N 15 117.1 0.2 . 1 . . . . . . . . 4047 1 359 . 1 1 30 30 ASP H H 1 9.16 0.04 . 1 . . . . . . . . 4047 1 360 . 1 1 30 30 ASP HA H 1 4.67 0.04 . 1 . . . . . . . . 4047 1 361 . 1 1 30 30 ASP HB2 H 1 2.91 0.04 . 2 . . . . . . . . 4047 1 362 . 1 1 30 30 ASP HB3 H 1 2.82 0.04 . 2 . . . . . . . . 4047 1 363 . 1 1 30 30 ASP C C 13 177.00 0.2 . 1 . . . . . . . . 4047 1 364 . 1 1 30 30 ASP CA C 13 55.8 0.2 . 1 . . . . . . . . 4047 1 365 . 1 1 30 30 ASP CB C 13 38.1 0.2 . 1 . . . . . . . . 4047 1 366 . 1 1 30 30 ASP CG C 13 176.5 0.2 . 1 . . . . . . . . 4047 1 367 . 1 1 30 30 ASP N N 15 124.6 0.2 . 1 . . . . . . . . 4047 1 368 . 1 1 31 31 SER H H 1 8.28 0.04 . 1 . . . . . . . . 4047 1 369 . 1 1 31 31 SER HA H 1 4.34 0.04 . 1 . . . . . . . . 4047 1 370 . 1 1 31 31 SER HB2 H 1 4.12 0.04 . 2 . . . . . . . . 4047 1 371 . 1 1 31 31 SER HB3 H 1 3.67 0.04 . 2 . . . . . . . . 4047 1 372 . 1 1 31 31 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4047 1 373 . 1 1 31 31 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 4047 1 374 . 1 1 31 31 SER CB C 13 61.00 0.2 . 1 . . . . . . . . 4047 1 375 . 1 1 31 31 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4047 1 376 . 1 1 32 32 ILE H H 1 7.97 0.04 . 1 . . . . . . . . 4047 1 377 . 1 1 32 32 ILE HA H 1 3.71 0.04 . 1 . . . . . . . . 4047 1 378 . 1 1 32 32 ILE HB H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 379 . 1 1 32 32 ILE HG12 H 1 0.84 0.04 . 1 . . . . . . . . 4047 1 380 . 1 1 32 32 ILE HG13 H 1 0.84 0.04 . 1 . . . . . . . . 4047 1 381 . 1 1 32 32 ILE HG21 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 382 . 1 1 32 32 ILE HG22 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 383 . 1 1 32 32 ILE HG23 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 384 . 1 1 32 32 ILE HD11 H 1 0.57 0.04 . 1 . . . . . . . . 4047 1 385 . 1 1 32 32 ILE HD12 H 1 0.57 0.04 . 1 . . . . . . . . 4047 1 386 . 1 1 32 32 ILE HD13 H 1 0.57 0.04 . 1 . . . . . . . . 4047 1 387 . 1 1 32 32 ILE C C 13 174.6 0.2 . 1 . . . . . . . . 4047 1 388 . 1 1 32 32 ILE CA C 13 64.3 0.2 . 1 . . . . . . . . 4047 1 389 . 1 1 32 32 ILE CB C 13 36.4 0.2 . 1 . . . . . . . . 4047 1 390 . 1 1 32 32 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4047 1 391 . 1 1 32 32 ILE CG2 C 13 14.2 0.2 . 1 . . . . . . . . 4047 1 392 . 1 1 32 32 ILE CD1 C 13 11.3 0.2 . 1 . . . . . . . . 4047 1 393 . 1 1 32 32 ILE N N 15 123.1 0.2 . 1 . . . . . . . . 4047 1 394 . 1 1 33 33 THR H H 1 8.14 0.04 . 1 . . . . . . . . 4047 1 395 . 1 1 33 33 THR HA H 1 4.39 0.04 . 1 . . . . . . . . 4047 1 396 . 1 1 33 33 THR HB H 1 3.99 0.04 . 1 . . . . . . . . 4047 1 397 . 1 1 33 33 THR HG21 H 1 1.37 0.04 . 1 . . . . . . . . 4047 1 398 . 1 1 33 33 THR HG22 H 1 1.37 0.04 . 1 . . . . . . . . 4047 1 399 . 1 1 33 33 THR HG23 H 1 1.37 0.04 . 1 . . . . . . . . 4047 1 400 . 1 1 33 33 THR C C 13 173.2 0.2 . 1 . . . . . . . . 4047 1 401 . 1 1 33 33 THR CA C 13 66.8 0.2 . 1 . . . . . . . . 4047 1 402 . 1 1 33 33 THR CB C 13 65.1 0.2 . 1 . . . . . . . . 4047 1 403 . 1 1 33 33 THR CG2 C 13 20.1 0.2 . 1 . . . . . . . . 4047 1 404 . 1 1 33 33 THR N N 15 117.2 0.2 . 1 . . . . . . . . 4047 1 405 . 1 1 34 34 GLU H H 1 8.25 0.04 . 1 . . . . . . . . 4047 1 406 . 1 1 34 34 GLU HA H 1 4.18 0.04 . 1 . . . . . . . . 4047 1 407 . 1 1 34 34 GLU HB2 H 1 2.22 0.04 . 2 . . . . . . . . 4047 1 408 . 1 1 34 34 GLU HB3 H 1 2.17 0.04 . 2 . . . . . . . . 4047 1 409 . 1 1 34 34 GLU HG2 H 1 2.55 0.04 . 1 . . . . . . . . 4047 1 410 . 1 1 34 34 GLU HG3 H 1 2.43 0.04 . 2 . . . . . . . . 4047 1 411 . 1 1 34 34 GLU C C 13 176.00 0.2 . 1 . . . . . . . . 4047 1 412 . 1 1 34 34 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4047 1 413 . 1 1 34 34 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4047 1 414 . 1 1 34 34 GLU CG C 13 33.3 0.2 . 1 . . . . . . . . 4047 1 415 . 1 1 34 34 GLU CD C 13 181.3 0.2 . 1 . . . . . . . . 4047 1 416 . 1 1 34 34 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 4047 1 417 . 1 1 35 35 ALA H H 1 7.86 0.04 . 1 . . . . . . . . 4047 1 418 . 1 1 35 35 ALA HA H 1 4.24 0.04 . 1 . . . . . . . . 4047 1 419 . 1 1 35 35 ALA HB1 H 1 1.56 0.04 . 1 . . . . . . . . 4047 1 420 . 1 1 35 35 ALA HB2 H 1 1.56 0.04 . 1 . . . . . . . . 4047 1 421 . 1 1 35 35 ALA HB3 H 1 1.56 0.04 . 1 . . . . . . . . 4047 1 422 . 1 1 35 35 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 4047 1 423 . 1 1 35 35 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 4047 1 424 . 1 1 35 35 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 4047 1 425 . 1 1 35 35 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 4047 1 426 . 1 1 36 36 LEU H H 1 8.06 0.04 . 1 . . . . . . . . 4047 1 427 . 1 1 36 36 LEU HA H 1 4.38 0.04 . 1 . . . . . . . . 4047 1 428 . 1 1 36 36 LEU HB2 H 1 2.00 0.04 . 2 . . . . . . . . 4047 1 429 . 1 1 36 36 LEU HB3 H 1 1.39 0.04 . 2 . . . . . . . . 4047 1 430 . 1 1 36 36 LEU HG H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 431 . 1 1 36 36 LEU HD11 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 432 . 1 1 36 36 LEU HD12 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 433 . 1 1 36 36 LEU HD13 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 434 . 1 1 36 36 LEU HD21 H 1 0.96 0.04 . 2 . . . . . . . . 4047 1 435 . 1 1 36 36 LEU HD22 H 1 0.96 0.04 . 2 . . . . . . . . 4047 1 436 . 1 1 36 36 LEU HD23 H 1 0.96 0.04 . 2 . . . . . . . . 4047 1 437 . 1 1 36 36 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 4047 1 438 . 1 1 36 36 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 4047 1 439 . 1 1 36 36 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 4047 1 440 . 1 1 36 36 LEU CG C 13 24.9 0.2 . 1 . . . . . . . . 4047 1 441 . 1 1 36 36 LEU CD1 C 13 20.3 0.2 . 2 . . . . . . . . 4047 1 442 . 1 1 36 36 LEU CD2 C 13 24.1 0.2 . 2 . . . . . . . . 4047 1 443 . 1 1 36 36 LEU N N 15 117.8 0.2 . 1 . . . . . . . . 4047 1 444 . 1 1 37 37 ARG H H 1 8.82 0.04 . 1 . . . . . . . . 4047 1 445 . 1 1 37 37 ARG HA H 1 4.05 0.04 . 1 . . . . . . . . 4047 1 446 . 1 1 37 37 ARG HB2 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 447 . 1 1 37 37 ARG HB3 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 448 . 1 1 37 37 ARG HG2 H 1 1.75 0.04 . 1 . . . . . . . . 4047 1 449 . 1 1 37 37 ARG HG3 H 1 1.75 0.04 . 1 . . . . . . . . 4047 1 450 . 1 1 37 37 ARG HD2 H 1 3.4 0.04 . 1 . . . . . . . . 4047 1 451 . 1 1 37 37 ARG HD3 H 1 3.4 0.04 . 1 . . . . . . . . 4047 1 452 . 1 1 37 37 ARG HE H 1 7.8 0.04 . 1 . . . . . . . . 4047 1 453 . 1 1 37 37 ARG C C 13 175.9 0.2 . 1 . . . . . . . . 4047 1 454 . 1 1 37 37 ARG CA C 13 57.8 0.2 . 1 . . . . . . . . 4047 1 455 . 1 1 37 37 ARG CB C 13 28.6 0.2 . 1 . . . . . . . . 4047 1 456 . 1 1 37 37 ARG CG C 13 25.00 0.2 . 1 . . . . . . . . 4047 1 457 . 1 1 37 37 ARG CD C 13 41.8 0.2 . 1 . . . . . . . . 4047 1 458 . 1 1 37 37 ARG CZ C 13 158.00 0.2 . 1 . . . . . . . . 4047 1 459 . 1 1 37 37 ARG N N 15 123.2 0.2 . 1 . . . . . . . . 4047 1 460 . 1 1 37 37 ARG NE N 15 84.8 0.2 . 1 . . . . . . . . 4047 1 461 . 1 1 37 37 ARG NH1 N 15 72.7 0.2 . 1 . . . . . . . . 4047 1 462 . 1 1 37 37 ARG NH2 N 15 72.7 0.2 . 1 . . . . . . . . 4047 1 463 . 1 1 38 38 LYS H H 1 7.6 0.04 . 1 . . . . . . . . 4047 1 464 . 1 1 38 38 LYS HA H 1 4.48 0.04 . 1 . . . . . . . . 4047 1 465 . 1 1 38 38 LYS HB2 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 466 . 1 1 38 38 LYS HB3 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 467 . 1 1 38 38 LYS HG2 H 1 1.58 0.04 . 1 . . . . . . . . 4047 1 468 . 1 1 38 38 LYS HG3 H 1 1.58 0.04 . 1 . . . . . . . . 4047 1 469 . 1 1 38 38 LYS HD2 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 470 . 1 1 38 38 LYS HD3 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 471 . 1 1 38 38 LYS HE2 H 1 3.15 0.04 . 1 . . . . . . . . 4047 1 472 . 1 1 38 38 LYS HE3 H 1 3.15 0.04 . 1 . . . . . . . . 4047 1 473 . 1 1 38 38 LYS C C 13 174.9 0.2 . 1 . . . . . . . . 4047 1 474 . 1 1 38 38 LYS CA C 13 54.5 0.2 . 1 . . . . . . . . 4047 1 475 . 1 1 38 38 LYS CB C 13 30.5 0.2 . 1 . . . . . . . . 4047 1 476 . 1 1 38 38 LYS CG C 13 22.6 0.2 . 1 . . . . . . . . 4047 1 477 . 1 1 38 38 LYS CD C 13 27.1 0.2 . 1 . . . . . . . . 4047 1 478 . 1 1 38 38 LYS CE C 13 40.3 0.2 . 1 . . . . . . . . 4047 1 479 . 1 1 38 38 LYS N N 15 116.2 0.2 . 1 . . . . . . . . 4047 1 480 . 1 1 39 39 GLY H H 1 8.17 0.04 . 1 . . . . . . . . 4047 1 481 . 1 1 39 39 GLY HA2 H 1 4.37 0.04 . 2 . . . . . . . . 4047 1 482 . 1 1 39 39 GLY HA3 H 1 3.82 0.04 . 2 . . . . . . . . 4047 1 483 . 1 1 39 39 GLY C C 13 172.2 0.2 . 1 . . . . . . . . 4047 1 484 . 1 1 39 39 GLY CA C 13 43.5 0.2 . 1 . . . . . . . . 4047 1 485 . 1 1 39 39 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 4047 1 486 . 1 1 40 40 ASP H H 1 8.31 0.04 . 1 . . . . . . . . 4047 1 487 . 1 1 40 40 ASP HA H 1 4.94 0.04 . 1 . . . . . . . . 4047 1 488 . 1 1 40 40 ASP HB2 H 1 2.72 0.04 . 1 . . . . . . . . 4047 1 489 . 1 1 40 40 ASP HB3 H 1 2.72 0.04 . 1 . . . . . . . . 4047 1 490 . 1 1 40 40 ASP C C 13 172.6 0.2 . 1 . . . . . . . . 4047 1 491 . 1 1 40 40 ASP CA C 13 50.8 0.2 . 1 . . . . . . . . 4047 1 492 . 1 1 40 40 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4047 1 493 . 1 1 40 40 ASP CG C 13 178.7 0.2 . 1 . . . . . . . . 4047 1 494 . 1 1 40 40 ASP N N 15 122.4 0.2 . 1 . . . . . . . . 4047 1 495 . 1 1 41 41 LYS H H 1 8.28 0.04 . 1 . . . . . . . . 4047 1 496 . 1 1 41 41 LYS HA H 1 4.93 0.04 . 1 . . . . . . . . 4047 1 497 . 1 1 41 41 LYS HB2 H 1 1.98 0.04 . 2 . . . . . . . . 4047 1 498 . 1 1 41 41 LYS HB3 H 1 1.93 0.04 . 2 . . . . . . . . 4047 1 499 . 1 1 41 41 LYS HG2 H 1 1.67 0.04 . 2 . . . . . . . . 4047 1 500 . 1 1 41 41 LYS HG3 H 1 1.57 0.04 . 2 . . . . . . . . 4047 1 501 . 1 1 41 41 LYS HD2 H 1 1.82 0.04 . 1 . . . . . . . . 4047 1 502 . 1 1 41 41 LYS HD3 H 1 1.82 0.04 . 1 . . . . . . . . 4047 1 503 . 1 1 41 41 LYS HE2 H 1 3.12 0.04 . 1 . . . . . . . . 4047 1 504 . 1 1 41 41 LYS HE3 H 1 3.12 0.04 . 1 . . . . . . . . 4047 1 505 . 1 1 41 41 LYS C C 13 174.00 0.2 . 1 . . . . . . . . 4047 1 506 . 1 1 41 41 LYS CA C 13 53.1 0.2 . 1 . . . . . . . . 4047 1 507 . 1 1 41 41 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4047 1 508 . 1 1 41 41 LYS CG C 13 23.00 0.2 . 1 . . . . . . . . 4047 1 509 . 1 1 41 41 LYS CD C 13 27.7 0.2 . 1 . . . . . . . . 4047 1 510 . 1 1 41 41 LYS CE C 13 40.3 0.2 . 1 . . . . . . . . 4047 1 511 . 1 1 41 41 LYS N N 15 119.3 0.2 . 1 . . . . . . . . 4047 1 512 . 1 1 42 42 VAL H H 1 9.08 0.04 . 1 . . . . . . . . 4047 1 513 . 1 1 42 42 VAL HA H 1 5.02 0.04 . 1 . . . . . . . . 4047 1 514 . 1 1 42 42 VAL HB H 1 2.48 0.04 . 1 . . . . . . . . 4047 1 515 . 1 1 42 42 VAL HG11 H 1 1.15 0.04 . 2 . . . . . . . . 4047 1 516 . 1 1 42 42 VAL HG12 H 1 1.15 0.04 . 2 . . . . . . . . 4047 1 517 . 1 1 42 42 VAL HG13 H 1 1.15 0.04 . 2 . . . . . . . . 4047 1 518 . 1 1 42 42 VAL HG21 H 1 1.06 0.04 . 2 . . . . . . . . 4047 1 519 . 1 1 42 42 VAL HG22 H 1 1.06 0.04 . 2 . . . . . . . . 4047 1 520 . 1 1 42 42 VAL HG23 H 1 1.06 0.04 . 2 . . . . . . . . 4047 1 521 . 1 1 42 42 VAL C C 13 172.8 0.2 . 1 . . . . . . . . 4047 1 522 . 1 1 42 42 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 4047 1 523 . 1 1 42 42 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 4047 1 524 . 1 1 42 42 VAL CG1 C 13 19.5 0.2 . 2 . . . . . . . . 4047 1 525 . 1 1 42 42 VAL CG2 C 13 18.7 0.2 . 2 . . . . . . . . 4047 1 526 . 1 1 42 42 VAL N N 15 123.9 0.2 . 1 . . . . . . . . 4047 1 527 . 1 1 43 43 GLN H H 1 8.95 0.04 . 1 . . . . . . . . 4047 1 528 . 1 1 43 43 GLN HA H 1 5.05 0.04 . 1 . . . . . . . . 4047 1 529 . 1 1 43 43 GLN HB2 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 530 . 1 1 43 43 GLN HB3 H 1 2.14 0.04 . 1 . . . . . . . . 4047 1 531 . 1 1 43 43 GLN HG2 H 1 2.36 0.04 . 2 . . . . . . . . 4047 1 532 . 1 1 43 43 GLN HG3 H 1 2.25 0.04 . 2 . . . . . . . . 4047 1 533 . 1 1 43 43 GLN HE21 H 1 7.49 0.04 . 2 . . . . . . . . 4047 1 534 . 1 1 43 43 GLN HE22 H 1 6.97 0.04 . 2 . . . . . . . . 4047 1 535 . 1 1 43 43 GLN C C 13 172.3 0.2 . 1 . . . . . . . . 4047 1 536 . 1 1 43 43 GLN CA C 13 52.9 0.2 . 1 . . . . . . . . 4047 1 537 . 1 1 43 43 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 4047 1 538 . 1 1 43 43 GLN CG C 13 32.2 0.2 . 1 . . . . . . . . 4047 1 539 . 1 1 43 43 GLN CD C 13 178.4 0.2 . 1 . . . . . . . . 4047 1 540 . 1 1 43 43 GLN N N 15 128.9 0.2 . 1 . . . . . . . . 4047 1 541 . 1 1 43 43 GLN NE2 N 15 112.6 0.2 . 1 . . . . . . . . 4047 1 542 . 1 1 44 44 LEU H H 1 8.3 0.04 . 1 . . . . . . . . 4047 1 543 . 1 1 44 44 LEU HA H 1 4.89 0.04 . 1 . . . . . . . . 4047 1 544 . 1 1 44 44 LEU HB2 H 1 2.57 0.04 . 2 . . . . . . . . 4047 1 545 . 1 1 44 44 LEU HB3 H 1 1.22 0.04 . 2 . . . . . . . . 4047 1 546 . 1 1 44 44 LEU HG H 1 1.66 0.04 . 1 . . . . . . . . 4047 1 547 . 1 1 44 44 LEU HD11 H 1 0.7 0.04 . 2 . . . . . . . . 4047 1 548 . 1 1 44 44 LEU HD12 H 1 0.7 0.04 . 2 . . . . . . . . 4047 1 549 . 1 1 44 44 LEU HD13 H 1 0.7 0.04 . 2 . . . . . . . . 4047 1 550 . 1 1 44 44 LEU HD21 H 1 0.61 0.04 . 2 . . . . . . . . 4047 1 551 . 1 1 44 44 LEU HD22 H 1 0.61 0.04 . 2 . . . . . . . . 4047 1 552 . 1 1 44 44 LEU HD23 H 1 0.61 0.04 . 2 . . . . . . . . 4047 1 553 . 1 1 44 44 LEU C C 13 173.9 0.2 . 1 . . . . . . . . 4047 1 554 . 1 1 44 44 LEU CA C 13 50.4 0.2 . 1 . . . . . . . . 4047 1 555 . 1 1 44 44 LEU CB C 13 39.9 0.2 . 1 . . . . . . . . 4047 1 556 . 1 1 44 44 LEU CG C 13 24.3 0.2 . 1 . . . . . . . . 4047 1 557 . 1 1 44 44 LEU CD1 C 13 21.00 0.2 . 2 . . . . . . . . 4047 1 558 . 1 1 44 44 LEU CD2 C 13 24.00 0.2 . 2 . . . . . . . . 4047 1 559 . 1 1 44 44 LEU N N 15 126.00 0.2 . 1 . . . . . . . . 4047 1 560 . 1 1 45 45 ILE H H 1 8.47 0.04 . 1 . . . . . . . . 4047 1 561 . 1 1 45 45 ILE HA H 1 4.11 0.04 . 1 . . . . . . . . 4047 1 562 . 1 1 45 45 ILE HB H 1 2.09 0.04 . 1 . . . . . . . . 4047 1 563 . 1 1 45 45 ILE HG12 H 1 1.73 0.04 . 2 . . . . . . . . 4047 1 564 . 1 1 45 45 ILE HG13 H 1 1.45 0.04 . 2 . . . . . . . . 4047 1 565 . 1 1 45 45 ILE HG21 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 566 . 1 1 45 45 ILE HG22 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 567 . 1 1 45 45 ILE HG23 H 1 1.14 0.04 . 1 . . . . . . . . 4047 1 568 . 1 1 45 45 ILE HD11 H 1 1.1 0.04 . 1 . . . . . . . . 4047 1 569 . 1 1 45 45 ILE HD12 H 1 1.1 0.04 . 1 . . . . . . . . 4047 1 570 . 1 1 45 45 ILE HD13 H 1 1.1 0.04 . 1 . . . . . . . . 4047 1 571 . 1 1 45 45 ILE C C 13 174.4 0.2 . 1 . . . . . . . . 4047 1 572 . 1 1 45 45 ILE CA C 13 61.1 0.2 . 1 . . . . . . . . 4047 1 573 . 1 1 45 45 ILE CB C 13 35.5 0.2 . 1 . . . . . . . . 4047 1 574 . 1 1 45 45 ILE CG1 C 13 26.3 0.2 . 1 . . . . . . . . 4047 1 575 . 1 1 45 45 ILE CG2 C 13 15.1 0.2 . 1 . . . . . . . . 4047 1 576 . 1 1 45 45 ILE CD1 C 13 11.2 0.2 . 1 . . . . . . . . 4047 1 577 . 1 1 45 45 ILE N N 15 128.1 0.2 . 1 . . . . . . . . 4047 1 578 . 1 1 46 46 GLY H H 1 8.91 0.04 . 1 . . . . . . . . 4047 1 579 . 1 1 46 46 GLY HA2 H 1 4.49 0.04 . 2 . . . . . . . . 4047 1 580 . 1 1 46 46 GLY HA3 H 1 3.86 0.04 . 2 . . . . . . . . 4047 1 581 . 1 1 46 46 GLY C C 13 171.3 0.2 . 1 . . . . . . . . 4047 1 582 . 1 1 46 46 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 4047 1 583 . 1 1 46 46 GLY N N 15 117.5 0.2 . 1 . . . . . . . . 4047 1 584 . 1 1 47 47 PHE H H 1 8.23 0.04 . 1 . . . . . . . . 4047 1 585 . 1 1 47 47 PHE HA H 1 4.7 0.04 . 1 . . . . . . . . 4047 1 586 . 1 1 47 47 PHE HB2 H 1 2.96 0.04 . 2 . . . . . . . . 4047 1 587 . 1 1 47 47 PHE HB3 H 1 2.7 0.04 . 2 . . . . . . . . 4047 1 588 . 1 1 47 47 PHE HD1 H 1 7.26 0.04 . 1 . . . . . . . . 4047 1 589 . 1 1 47 47 PHE HD2 H 1 7.26 0.04 . 1 . . . . . . . . 4047 1 590 . 1 1 47 47 PHE HE1 H 1 7.18 0.04 . 1 . . . . . . . . 4047 1 591 . 1 1 47 47 PHE HE2 H 1 7.18 0.04 . 1 . . . . . . . . 4047 1 592 . 1 1 47 47 PHE HZ H 1 6.52 0.04 . 1 . . . . . . . . 4047 1 593 . 1 1 47 47 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 594 . 1 1 47 47 PHE CA C 13 59.1 0.2 . 1 . . . . . . . . 4047 1 595 . 1 1 47 47 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 4047 1 596 . 1 1 47 47 PHE CD1 C 13 130.3 0.2 . 1 . . . . . . . . 4047 1 597 . 1 1 47 47 PHE CD2 C 13 130.3 0.2 . 1 . . . . . . . . 4047 1 598 . 1 1 47 47 PHE CE1 C 13 129.8 0.2 . 1 . . . . . . . . 4047 1 599 . 1 1 47 47 PHE CE2 C 13 129.8 0.2 . 1 . . . . . . . . 4047 1 600 . 1 1 47 47 PHE CZ C 13 126.8 0.2 . 1 . . . . . . . . 4047 1 601 . 1 1 47 47 PHE N N 15 122.4 0.2 . 1 . . . . . . . . 4047 1 602 . 1 1 48 48 GLY H H 1 8.5 0.04 . 1 . . . . . . . . 4047 1 603 . 1 1 48 48 GLY HA2 H 1 4.3 0.04 . 2 . . . . . . . . 4047 1 604 . 1 1 48 48 GLY HA3 H 1 3.69 0.04 . 2 . . . . . . . . 4047 1 605 . 1 1 48 48 GLY C C 13 168.4 0.2 . 1 . . . . . . . . 4047 1 606 . 1 1 48 48 GLY CA C 13 43.6 0.2 . 1 . . . . . . . . 4047 1 607 . 1 1 48 48 GLY N N 15 107.5 0.2 . 1 . . . . . . . . 4047 1 608 . 1 1 49 49 ASN H H 1 7.83 0.04 . 1 . . . . . . . . 4047 1 609 . 1 1 49 49 ASN HA H 1 6.15 0.04 . 1 . . . . . . . . 4047 1 610 . 1 1 49 49 ASN HB2 H 1 2.77 0.04 . 2 . . . . . . . . 4047 1 611 . 1 1 49 49 ASN HB3 H 1 2.57 0.04 . 2 . . . . . . . . 4047 1 612 . 1 1 49 49 ASN HD21 H 1 7.33 0.04 . 2 . . . . . . . . 4047 1 613 . 1 1 49 49 ASN HD22 H 1 6.79 0.04 . 2 . . . . . . . . 4047 1 614 . 1 1 49 49 ASN C C 13 172.9 0.2 . 1 . . . . . . . . 4047 1 615 . 1 1 49 49 ASN CA C 13 48.7 0.2 . 1 . . . . . . . . 4047 1 616 . 1 1 49 49 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 4047 1 617 . 1 1 49 49 ASN CG C 13 173.7 0.2 . 1 . . . . . . . . 4047 1 618 . 1 1 49 49 ASN N N 15 115.3 0.2 . 1 . . . . . . . . 4047 1 619 . 1 1 49 49 ASN ND2 N 15 111.2 0.2 . 1 . . . . . . . . 4047 1 620 . 1 1 50 50 PHE H H 1 9.79 0.04 . 1 . . . . . . . . 4047 1 621 . 1 1 50 50 PHE HA H 1 5.83 0.04 . 1 . . . . . . . . 4047 1 622 . 1 1 50 50 PHE HB2 H 1 3.24 0.04 . 2 . . . . . . . . 4047 1 623 . 1 1 50 50 PHE HB3 H 1 3.17 0.04 . 2 . . . . . . . . 4047 1 624 . 1 1 50 50 PHE HD1 H 1 7.23 0.04 . 1 . . . . . . . . 4047 1 625 . 1 1 50 50 PHE HD2 H 1 7.23 0.04 . 1 . . . . . . . . 4047 1 626 . 1 1 50 50 PHE HE1 H 1 6.74 0.04 . 1 . . . . . . . . 4047 1 627 . 1 1 50 50 PHE HE2 H 1 6.74 0.04 . 1 . . . . . . . . 4047 1 628 . 1 1 50 50 PHE HZ H 1 7.2 0.04 . 1 . . . . . . . . 4047 1 629 . 1 1 50 50 PHE C C 13 172.5 0.2 . 1 . . . . . . . . 4047 1 630 . 1 1 50 50 PHE CA C 13 54.7 0.2 . 1 . . . . . . . . 4047 1 631 . 1 1 50 50 PHE CB C 13 40.5 0.2 . 1 . . . . . . . . 4047 1 632 . 1 1 50 50 PHE CD1 C 13 130.4 0.2 . 1 . . . . . . . . 4047 1 633 . 1 1 50 50 PHE CD2 C 13 130.4 0.2 . 1 . . . . . . . . 4047 1 634 . 1 1 50 50 PHE CE1 C 13 129.00 0.2 . 1 . . . . . . . . 4047 1 635 . 1 1 50 50 PHE CE2 C 13 129.00 0.2 . 1 . . . . . . . . 4047 1 636 . 1 1 50 50 PHE CZ C 13 126.7 0.2 . 1 . . . . . . . . 4047 1 637 . 1 1 50 50 PHE N N 15 120.6 0.2 . 1 . . . . . . . . 4047 1 638 . 1 1 51 51 GLU H H 1 9.18 0.04 . 1 . . . . . . . . 4047 1 639 . 1 1 51 51 GLU HA H 1 5.00 0.04 . 1 . . . . . . . . 4047 1 640 . 1 1 51 51 GLU HB2 H 1 2.24 0.04 . 2 . . . . . . . . 4047 1 641 . 1 1 51 51 GLU HB3 H 1 2.11 0.04 . 2 . . . . . . . . 4047 1 642 . 1 1 51 51 GLU HG2 H 1 2.02 0.04 . 1 . . . . . . . . 4047 1 643 . 1 1 51 51 GLU HG3 H 1 2.02 0.04 . 1 . . . . . . . . 4047 1 644 . 1 1 51 51 GLU C C 13 171.5 0.2 . 1 . . . . . . . . 4047 1 645 . 1 1 51 51 GLU CA C 13 52.4 0.2 . 1 . . . . . . . . 4047 1 646 . 1 1 51 51 GLU CB C 13 31.8 0.2 . 1 . . . . . . . . 4047 1 647 . 1 1 51 51 GLU CG C 13 33.00 0.2 . 1 . . . . . . . . 4047 1 648 . 1 1 51 51 GLU CD C 13 180.7 0.2 . 1 . . . . . . . . 4047 1 649 . 1 1 51 51 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 4047 1 650 . 1 1 52 52 VAL H H 1 9.12 0.04 . 1 . . . . . . . . 4047 1 651 . 1 1 52 52 VAL HA H 1 4.69 0.04 . 1 . . . . . . . . 4047 1 652 . 1 1 52 52 VAL HB H 1 2.17 0.04 . 1 . . . . . . . . 4047 1 653 . 1 1 52 52 VAL HG11 H 1 1.17 0.04 . 2 . . . . . . . . 4047 1 654 . 1 1 52 52 VAL HG12 H 1 1.17 0.04 . 2 . . . . . . . . 4047 1 655 . 1 1 52 52 VAL HG13 H 1 1.17 0.04 . 2 . . . . . . . . 4047 1 656 . 1 1 52 52 VAL HG21 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 657 . 1 1 52 52 VAL HG22 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 658 . 1 1 52 52 VAL HG23 H 1 0.99 0.04 . 2 . . . . . . . . 4047 1 659 . 1 1 52 52 VAL C C 13 173.7 0.2 . 1 . . . . . . . . 4047 1 660 . 1 1 52 52 VAL CA C 13 60.2 0.2 . 1 . . . . . . . . 4047 1 661 . 1 1 52 52 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 4047 1 662 . 1 1 52 52 VAL CG1 C 13 20.9 0.2 . 2 . . . . . . . . 4047 1 663 . 1 1 52 52 VAL CG2 C 13 20.3 0.2 . 2 . . . . . . . . 4047 1 664 . 1 1 52 52 VAL N N 15 121.1 0.2 . 1 . . . . . . . . 4047 1 665 . 1 1 53 53 ARG H H 1 9.11 0.04 . 1 . . . . . . . . 4047 1 666 . 1 1 53 53 ARG HA H 1 4.83 0.04 . 1 . . . . . . . . 4047 1 667 . 1 1 53 53 ARG HB2 H 1 1.97 0.04 . 2 . . . . . . . . 4047 1 668 . 1 1 53 53 ARG HB3 H 1 1.79 0.04 . 2 . . . . . . . . 4047 1 669 . 1 1 53 53 ARG HG2 H 1 1.67 0.04 . 1 . . . . . . . . 4047 1 670 . 1 1 53 53 ARG HG3 H 1 1.67 0.04 . 1 . . . . . . . . 4047 1 671 . 1 1 53 53 ARG HD2 H 1 3.27 0.04 . 1 . . . . . . . . 4047 1 672 . 1 1 53 53 ARG HD3 H 1 3.27 0.04 . 1 . . . . . . . . 4047 1 673 . 1 1 53 53 ARG HE H 1 7.41 0.04 . 1 . . . . . . . . 4047 1 674 . 1 1 53 53 ARG C C 13 172.8 0.2 . 1 . . . . . . . . 4047 1 675 . 1 1 53 53 ARG CA C 13 52.4 0.2 . 1 . . . . . . . . 4047 1 676 . 1 1 53 53 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4047 1 677 . 1 1 53 53 ARG CG C 13 25.00 0.2 . 1 . . . . . . . . 4047 1 678 . 1 1 53 53 ARG CD C 13 41.3 0.2 . 1 . . . . . . . . 4047 1 679 . 1 1 53 53 ARG CZ C 13 157.9 0.2 . 1 . . . . . . . . 4047 1 680 . 1 1 53 53 ARG N N 15 128.4 0.2 . 1 . . . . . . . . 4047 1 681 . 1 1 53 53 ARG NE N 15 85.8 0.2 . 1 . . . . . . . . 4047 1 682 . 1 1 53 53 ARG NH1 N 15 72.8 0.2 . 1 . . . . . . . . 4047 1 683 . 1 1 53 53 ARG NH2 N 15 72.8 0.2 . 1 . . . . . . . . 4047 1 684 . 1 1 54 54 GLU H H 1 8.8 0.04 . 1 . . . . . . . . 4047 1 685 . 1 1 54 54 GLU HA H 1 4.92 0.04 . 1 . . . . . . . . 4047 1 686 . 1 1 54 54 GLU HB2 H 1 2.14 0.04 . 2 . . . . . . . . 4047 1 687 . 1 1 54 54 GLU HB3 H 1 2.03 0.04 . 2 . . . . . . . . 4047 1 688 . 1 1 54 54 GLU HG2 H 1 2.31 0.04 . 1 . . . . . . . . 4047 1 689 . 1 1 54 54 GLU HG3 H 1 2.22 0.04 . 2 . . . . . . . . 4047 1 690 . 1 1 54 54 GLU C C 13 173.8 0.2 . 1 . . . . . . . . 4047 1 691 . 1 1 54 54 GLU CA C 13 53.7 0.2 . 1 . . . . . . . . 4047 1 692 . 1 1 54 54 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 4047 1 693 . 1 1 54 54 GLU CG C 13 34.4 0.2 . 1 . . . . . . . . 4047 1 694 . 1 1 54 54 GLU CD C 13 180.8 0.2 . 1 . . . . . . . . 4047 1 695 . 1 1 54 54 GLU N N 15 124.7 0.2 . 1 . . . . . . . . 4047 1 696 . 1 1 55 55 ARG H H 1 9.02 0.04 . 1 . . . . . . . . 4047 1 697 . 1 1 55 55 ARG HA H 1 4.66 0.04 . 1 . . . . . . . . 4047 1 698 . 1 1 55 55 ARG HB2 H 1 1.99 0.04 . 2 . . . . . . . . 4047 1 699 . 1 1 55 55 ARG HB3 H 1 1.85 0.04 . 2 . . . . . . . . 4047 1 700 . 1 1 55 55 ARG HG2 H 1 1.76 0.04 . 1 . . . . . . . . 4047 1 701 . 1 1 55 55 ARG HG3 H 1 1.76 0.04 . 1 . . . . . . . . 4047 1 702 . 1 1 55 55 ARG HD2 H 1 3.31 0.04 . 1 . . . . . . . . 4047 1 703 . 1 1 55 55 ARG HD3 H 1 3.31 0.04 . 1 . . . . . . . . 4047 1 704 . 1 1 55 55 ARG HE H 1 7.18 0.04 . 1 . . . . . . . . 4047 1 705 . 1 1 55 55 ARG C C 13 173.1 0.2 . 1 . . . . . . . . 4047 1 706 . 1 1 55 55 ARG CA C 13 52.9 0.2 . 1 . . . . . . . . 4047 1 707 . 1 1 55 55 ARG CB C 13 29.6 0.2 . 1 . . . . . . . . 4047 1 708 . 1 1 55 55 ARG CG C 13 24.9 0.2 . 1 . . . . . . . . 4047 1 709 . 1 1 55 55 ARG CD C 13 41.8 0.2 . 1 . . . . . . . . 4047 1 710 . 1 1 55 55 ARG CZ C 13 157.7 0.2 . 1 . . . . . . . . 4047 1 711 . 1 1 55 55 ARG N N 15 127.7 0.2 . 1 . . . . . . . . 4047 1 712 . 1 1 55 55 ARG NE N 15 85.7 0.2 . 1 . . . . . . . . 4047 1 713 . 1 1 55 55 ARG NH1 N 15 72.9 0.2 . 1 . . . . . . . . 4047 1 714 . 1 1 55 55 ARG NH2 N 15 72.9 0.2 . 1 . . . . . . . . 4047 1 715 . 1 1 56 56 ALA H H 1 8.4 0.04 . 1 . . . . . . . . 4047 1 716 . 1 1 56 56 ALA HA H 1 4.43 0.04 . 1 . . . . . . . . 4047 1 717 . 1 1 56 56 ALA HB1 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 718 . 1 1 56 56 ALA HB2 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 719 . 1 1 56 56 ALA HB3 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 720 . 1 1 56 56 ALA C C 13 175.7 0.2 . 1 . . . . . . . . 4047 1 721 . 1 1 56 56 ALA CA C 13 50.00 0.2 . 1 . . . . . . . . 4047 1 722 . 1 1 56 56 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 4047 1 723 . 1 1 56 56 ALA N N 15 127.4 0.2 . 1 . . . . . . . . 4047 1 724 . 1 1 57 57 ALA H H 1 8.59 0.04 . 1 . . . . . . . . 4047 1 725 . 1 1 57 57 ALA HA H 1 4.5 0.04 . 1 . . . . . . . . 4047 1 726 . 1 1 57 57 ALA HB1 H 1 1.53 0.04 . 1 . . . . . . . . 4047 1 727 . 1 1 57 57 ALA HB2 H 1 1.53 0.04 . 1 . . . . . . . . 4047 1 728 . 1 1 57 57 ALA HB3 H 1 1.53 0.04 . 1 . . . . . . . . 4047 1 729 . 1 1 57 57 ALA C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 730 . 1 1 57 57 ALA CA C 13 50.7 0.2 . 1 . . . . . . . . 4047 1 731 . 1 1 57 57 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4047 1 732 . 1 1 57 57 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 4047 1 733 . 1 1 58 58 ARG H H 1 8.69 0.04 . 1 . . . . . . . . 4047 1 734 . 1 1 58 58 ARG HA H 1 4.84 0.04 . 1 . . . . . . . . 4047 1 735 . 1 1 58 58 ARG HB2 H 1 1.98 0.04 . 2 . . . . . . . . 4047 1 736 . 1 1 58 58 ARG HB3 H 1 1.89 0.04 . 2 . . . . . . . . 4047 1 737 . 1 1 58 58 ARG HG2 H 1 1.74 0.04 . 2 . . . . . . . . 4047 1 738 . 1 1 58 58 ARG HG3 H 1 1.61 0.04 . 2 . . . . . . . . 4047 1 739 . 1 1 58 58 ARG HD2 H 1 3.32 0.04 . 1 . . . . . . . . 4047 1 740 . 1 1 58 58 ARG HD3 H 1 3.32 0.04 . 1 . . . . . . . . 4047 1 741 . 1 1 58 58 ARG HE H 1 7.26 0.04 . 1 . . . . . . . . 4047 1 742 . 1 1 58 58 ARG C C 13 172.4 0.2 . 1 . . . . . . . . 4047 1 743 . 1 1 58 58 ARG CA C 13 52.9 0.2 . 1 . . . . . . . . 4047 1 744 . 1 1 58 58 ARG CB C 13 31.2 0.2 . 1 . . . . . . . . 4047 1 745 . 1 1 58 58 ARG CG C 13 24.5 0.2 . 1 . . . . . . . . 4047 1 746 . 1 1 58 58 ARG CD C 13 41.8 0.2 . 1 . . . . . . . . 4047 1 747 . 1 1 58 58 ARG CZ C 13 157.7 0.2 . 1 . . . . . . . . 4047 1 748 . 1 1 58 58 ARG N N 15 119.7 0.2 . 1 . . . . . . . . 4047 1 749 . 1 1 58 58 ARG NE N 15 86.7 0.2 . 1 . . . . . . . . 4047 1 750 . 1 1 58 58 ARG NH1 N 15 72.7 0.2 . 1 . . . . . . . . 4047 1 751 . 1 1 58 58 ARG NH2 N 15 72.7 0.2 . 1 . . . . . . . . 4047 1 752 . 1 1 59 59 LYS H H 1 8.51 0.04 . 1 . . . . . . . . 4047 1 753 . 1 1 59 59 LYS HA H 1 4.99 0.04 . 1 . . . . . . . . 4047 1 754 . 1 1 59 59 LYS HB2 H 1 1.91 0.04 . 1 . . . . . . . . 4047 1 755 . 1 1 59 59 LYS HB3 H 1 1.91 0.04 . 1 . . . . . . . . 4047 1 756 . 1 1 59 59 LYS HG2 H 1 1.59 0.04 . 2 . . . . . . . . 4047 1 757 . 1 1 59 59 LYS HG3 H 1 1.53 0.04 . 2 . . . . . . . . 4047 1 758 . 1 1 59 59 LYS HD2 H 1 1.76 0.04 . 1 . . . . . . . . 4047 1 759 . 1 1 59 59 LYS HD3 H 1 1.76 0.04 . 1 . . . . . . . . 4047 1 760 . 1 1 59 59 LYS HE2 H 1 3.09 0.04 . 1 . . . . . . . . 4047 1 761 . 1 1 59 59 LYS HE3 H 1 3.09 0.04 . 1 . . . . . . . . 4047 1 762 . 1 1 59 59 LYS C C 13 174.6 0.2 . 1 . . . . . . . . 4047 1 763 . 1 1 59 59 LYS CA C 13 53.7 0.2 . 1 . . . . . . . . 4047 1 764 . 1 1 59 59 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 4047 1 765 . 1 1 59 59 LYS CG C 13 22.8 0.2 . 1 . . . . . . . . 4047 1 766 . 1 1 59 59 LYS CD C 13 26.9 0.2 . 1 . . . . . . . . 4047 1 767 . 1 1 59 59 LYS CE C 13 40.2 0.2 . 1 . . . . . . . . 4047 1 768 . 1 1 59 59 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 4047 1 769 . 1 1 59 59 LYS NZ N 15 33.7 0.2 . 1 . . . . . . . . 4047 1 770 . 1 1 60 60 GLY H H 1 8.72 0.04 . 1 . . . . . . . . 4047 1 771 . 1 1 60 60 GLY HA2 H 1 4.54 0.04 . 2 . . . . . . . . 4047 1 772 . 1 1 60 60 GLY HA3 H 1 3.85 0.04 . 2 . . . . . . . . 4047 1 773 . 1 1 60 60 GLY C C 13 170.6 0.2 . 1 . . . . . . . . 4047 1 774 . 1 1 60 60 GLY CA C 13 42.7 0.2 . 1 . . . . . . . . 4047 1 775 . 1 1 60 60 GLY N N 15 112.00 0.2 . 1 . . . . . . . . 4047 1 776 . 1 1 61 61 ARG H H 1 8.51 0.04 . 1 . . . . . . . . 4047 1 777 . 1 1 61 61 ARG HA H 1 4.89 0.04 . 1 . . . . . . . . 4047 1 778 . 1 1 61 61 ARG HB2 H 1 1.74 0.04 . 2 . . . . . . . . 4047 1 779 . 1 1 61 61 ARG HB3 H 1 1.65 0.04 . 2 . . . . . . . . 4047 1 780 . 1 1 61 61 ARG HG2 H 1 1.58 0.04 . 2 . . . . . . . . 4047 1 781 . 1 1 61 61 ARG HG3 H 1 1.48 0.04 . 2 . . . . . . . . 4047 1 782 . 1 1 61 61 ARG HD2 H 1 3.25 0.04 . 1 . . . . . . . . 4047 1 783 . 1 1 61 61 ARG HD3 H 1 3.25 0.04 . 1 . . . . . . . . 4047 1 784 . 1 1 61 61 ARG HE H 1 7.31 0.04 . 1 . . . . . . . . 4047 1 785 . 1 1 61 61 ARG C C 13 173.4 0.2 . 1 . . . . . . . . 4047 1 786 . 1 1 61 61 ARG CA C 13 52.8 0.2 . 1 . . . . . . . . 4047 1 787 . 1 1 61 61 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 4047 1 788 . 1 1 61 61 ARG CG C 13 25.2 0.2 . 1 . . . . . . . . 4047 1 789 . 1 1 61 61 ARG CD C 13 41.3 0.2 . 1 . . . . . . . . 4047 1 790 . 1 1 61 61 ARG CZ C 13 157.8 0.2 . 1 . . . . . . . . 4047 1 791 . 1 1 61 61 ARG N N 15 121.4 0.2 . 1 . . . . . . . . 4047 1 792 . 1 1 61 61 ARG NE N 15 85.6 0.2 . 1 . . . . . . . . 4047 1 793 . 1 1 61 61 ARG NH1 N 15 72.6 0.2 . 1 . . . . . . . . 4047 1 794 . 1 1 61 61 ARG NH2 N 15 72.6 0.2 . 1 . . . . . . . . 4047 1 795 . 1 1 62 62 ASN H H 1 9.09 0.04 . 1 . . . . . . . . 4047 1 796 . 1 1 62 62 ASN HA H 1 5.00 0.04 . 1 . . . . . . . . 4047 1 797 . 1 1 62 62 ASN HB2 H 1 3.27 0.04 . 2 . . . . . . . . 4047 1 798 . 1 1 62 62 ASN HB3 H 1 2.87 0.04 . 2 . . . . . . . . 4047 1 799 . 1 1 62 62 ASN HD21 H 1 7.75 0.04 . 2 . . . . . . . . 4047 1 800 . 1 1 62 62 ASN HD22 H 1 7.43 0.04 . 2 . . . . . . . . 4047 1 801 . 1 1 62 62 ASN C C 13 173.2 0.2 . 1 . . . . . . . . 4047 1 802 . 1 1 62 62 ASN CA C 13 49.3 0.2 . 1 . . . . . . . . 4047 1 803 . 1 1 62 62 ASN CB C 13 37.7 0.2 . 1 . . . . . . . . 4047 1 804 . 1 1 62 62 ASN CG C 13 175.2 0.2 . 1 . . . . . . . . 4047 1 805 . 1 1 62 62 ASN N N 15 126.5 0.2 . 1 . . . . . . . . 4047 1 806 . 1 1 62 62 ASN ND2 N 15 116.2 0.2 . 1 . . . . . . . . 4047 1 807 . 1 1 63 63 PRO HA H 1 4.49 0.04 . 1 . . . . . . . . 4047 1 808 . 1 1 63 63 PRO HB2 H 1 2.49 0.04 . 1 . . . . . . . . 4047 1 809 . 1 1 63 63 PRO HB3 H 1 2.49 0.04 . 1 . . . . . . . . 4047 1 810 . 1 1 63 63 PRO HG2 H 1 2.21 0.04 . 2 . . . . . . . . 4047 1 811 . 1 1 63 63 PRO HG3 H 1 2.15 0.04 . 2 . . . . . . . . 4047 1 812 . 1 1 63 63 PRO HD2 H 1 4.2 0.04 . 2 . . . . . . . . 4047 1 813 . 1 1 63 63 PRO HD3 H 1 3.96 0.04 . 2 . . . . . . . . 4047 1 814 . 1 1 63 63 PRO C C 13 174.4 0.2 . 1 . . . . . . . . 4047 1 815 . 1 1 63 63 PRO CA C 13 62.5 0.2 . 1 . . . . . . . . 4047 1 816 . 1 1 63 63 PRO CB C 13 30.2 0.2 . 1 . . . . . . . . 4047 1 817 . 1 1 63 63 PRO CG C 13 25.2 0.2 . 1 . . . . . . . . 4047 1 818 . 1 1 63 63 PRO CD C 13 49.00 0.2 . 1 . . . . . . . . 4047 1 819 . 1 1 63 63 PRO N N 15 126.8 0.2 . 1 . . . . . . . . 4047 1 820 . 1 1 64 64 GLN H H 1 8.41 0.04 . 1 . . . . . . . . 4047 1 821 . 1 1 64 64 GLN HA H 1 4.5 0.04 . 1 . . . . . . . . 4047 1 822 . 1 1 64 64 GLN HB2 H 1 2.32 0.04 . 1 . . . . . . . . 4047 1 823 . 1 1 64 64 GLN HB3 H 1 2.32 0.04 . 1 . . . . . . . . 4047 1 824 . 1 1 64 64 GLN HG2 H 1 2.54 0.04 . 1 . . . . . . . . 4047 1 825 . 1 1 64 64 GLN HG3 H 1 2.54 0.04 . 1 . . . . . . . . 4047 1 826 . 1 1 64 64 GLN HE21 H 1 7.6 0.04 . 2 . . . . . . . . 4047 1 827 . 1 1 64 64 GLN HE22 H 1 6.92 0.04 . 2 . . . . . . . . 4047 1 828 . 1 1 64 64 GLN C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 829 . 1 1 64 64 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 4047 1 830 . 1 1 64 64 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4047 1 831 . 1 1 64 64 GLN CG C 13 32.7 0.2 . 1 . . . . . . . . 4047 1 832 . 1 1 64 64 GLN N N 15 116.9 0.2 . 1 . . . . . . . . 4047 1 833 . 1 1 64 64 GLN NE2 N 15 112.8 0.2 . 1 . . . . . . . . 4047 1 834 . 1 1 65 65 THR H H 1 7.65 0.04 . 1 . . . . . . . . 4047 1 835 . 1 1 65 65 THR HA H 1 4.6 0.04 . 1 . . . . . . . . 4047 1 836 . 1 1 65 65 THR HB H 1 4.52 0.04 . 1 . . . . . . . . 4047 1 837 . 1 1 65 65 THR HG21 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 838 . 1 1 65 65 THR HG22 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 839 . 1 1 65 65 THR HG23 H 1 1.28 0.04 . 1 . . . . . . . . 4047 1 840 . 1 1 65 65 THR C C 13 174.4 0.2 . 1 . . . . . . . . 4047 1 841 . 1 1 65 65 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 4047 1 842 . 1 1 65 65 THR CB C 13 69.00 0.2 . 1 . . . . . . . . 4047 1 843 . 1 1 65 65 THR CG2 C 13 19.3 0.2 . 1 . . . . . . . . 4047 1 844 . 1 1 65 65 THR N N 15 107.2 0.2 . 1 . . . . . . . . 4047 1 845 . 1 1 66 66 GLY H H 1 8.59 0.04 . 1 . . . . . . . . 4047 1 846 . 1 1 66 66 GLY HA2 H 1 4.35 0.04 . 2 . . . . . . . . 4047 1 847 . 1 1 66 66 GLY HA3 H 1 3.83 0.04 . 2 . . . . . . . . 4047 1 848 . 1 1 66 66 GLY C C 13 171.7 0.2 . 1 . . . . . . . . 4047 1 849 . 1 1 66 66 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 4047 1 850 . 1 1 66 66 GLY N N 15 111.8 0.2 . 1 . . . . . . . . 4047 1 851 . 1 1 67 67 GLU H H 1 7.87 0.04 . 1 . . . . . . . . 4047 1 852 . 1 1 67 67 GLU HA H 1 4.41 0.04 . 1 . . . . . . . . 4047 1 853 . 1 1 67 67 GLU HB2 H 1 2.2 0.04 . 2 . . . . . . . . 4047 1 854 . 1 1 67 67 GLU HB3 H 1 1.99 0.04 . 2 . . . . . . . . 4047 1 855 . 1 1 67 67 GLU HG2 H 1 2.39 0.04 . 1 . . . . . . . . 4047 1 856 . 1 1 67 67 GLU HG3 H 1 2.39 0.04 . 1 . . . . . . . . 4047 1 857 . 1 1 67 67 GLU C C 13 173.9 0.2 . 1 . . . . . . . . 4047 1 858 . 1 1 67 67 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 4047 1 859 . 1 1 67 67 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 4047 1 860 . 1 1 67 67 GLU CG C 13 34.3 0.2 . 1 . . . . . . . . 4047 1 861 . 1 1 67 67 GLU CD C 13 181.8 0.2 . 1 . . . . . . . . 4047 1 862 . 1 1 67 67 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4047 1 863 . 1 1 68 68 GLU H H 1 8.81 0.04 . 1 . . . . . . . . 4047 1 864 . 1 1 68 68 GLU HA H 1 4.65 0.04 . 1 . . . . . . . . 4047 1 865 . 1 1 68 68 GLU HB2 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 866 . 1 1 68 68 GLU HB3 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 867 . 1 1 68 68 GLU HG2 H 1 2.46 0.04 . 1 . . . . . . . . 4047 1 868 . 1 1 68 68 GLU HG3 H 1 2.33 0.04 . 2 . . . . . . . . 4047 1 869 . 1 1 68 68 GLU C C 13 173.7 0.2 . 1 . . . . . . . . 4047 1 870 . 1 1 68 68 GLU CA C 13 55.3 0.2 . 1 . . . . . . . . 4047 1 871 . 1 1 68 68 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 4047 1 872 . 1 1 68 68 GLU CG C 13 34.8 0.2 . 1 . . . . . . . . 4047 1 873 . 1 1 68 68 GLU CD C 13 181.1 0.2 . 1 . . . . . . . . 4047 1 874 . 1 1 68 68 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 4047 1 875 . 1 1 69 69 MET H H 1 8.59 0.04 . 1 . . . . . . . . 4047 1 876 . 1 1 69 69 MET HA H 1 4.84 0.04 . 1 . . . . . . . . 4047 1 877 . 1 1 69 69 MET HB2 H 1 2.06 0.04 . 1 . . . . . . . . 4047 1 878 . 1 1 69 69 MET HB3 H 1 2.06 0.04 . 1 . . . . . . . . 4047 1 879 . 1 1 69 69 MET HG2 H 1 2.48 0.04 . 1 . . . . . . . . 4047 1 880 . 1 1 69 69 MET HG3 H 1 2.48 0.04 . 1 . . . . . . . . 4047 1 881 . 1 1 69 69 MET HE1 H 1 2.18 0.04 . 1 . . . . . . . . 4047 1 882 . 1 1 69 69 MET HE2 H 1 2.18 0.04 . 1 . . . . . . . . 4047 1 883 . 1 1 69 69 MET HE3 H 1 2.18 0.04 . 1 . . . . . . . . 4047 1 884 . 1 1 69 69 MET C C 13 172.00 0.2 . 1 . . . . . . . . 4047 1 885 . 1 1 69 69 MET CA C 13 52.4 0.2 . 1 . . . . . . . . 4047 1 886 . 1 1 69 69 MET CB C 13 33.7 0.2 . 1 . . . . . . . . 4047 1 887 . 1 1 69 69 MET CG C 13 29.1 0.2 . 1 . . . . . . . . 4047 1 888 . 1 1 69 69 MET CE C 13 15.2 0.2 . 1 . . . . . . . . 4047 1 889 . 1 1 69 69 MET N N 15 123.00 0.2 . 1 . . . . . . . . 4047 1 890 . 1 1 70 70 GLU H H 1 8.66 0.04 . 1 . . . . . . . . 4047 1 891 . 1 1 70 70 GLU HA H 1 4.69 0.04 . 1 . . . . . . . . 4047 1 892 . 1 1 70 70 GLU HB2 H 1 2.1 0.04 . 2 . . . . . . . . 4047 1 893 . 1 1 70 70 GLU HB3 H 1 2.02 0.04 . 2 . . . . . . . . 4047 1 894 . 1 1 70 70 GLU HG2 H 1 2.29 0.04 . 1 . . . . . . . . 4047 1 895 . 1 1 70 70 GLU HG3 H 1 2.2 0.04 . 2 . . . . . . . . 4047 1 896 . 1 1 70 70 GLU C C 13 173.4 0.2 . 1 . . . . . . . . 4047 1 897 . 1 1 70 70 GLU CA C 13 54.1 0.2 . 1 . . . . . . . . 4047 1 898 . 1 1 70 70 GLU CB C 13 29.00 0.2 . 1 . . . . . . . . 4047 1 899 . 1 1 70 70 GLU CG C 13 33.9 0.2 . 1 . . . . . . . . 4047 1 900 . 1 1 70 70 GLU CD C 13 181.8 0.2 . 1 . . . . . . . . 4047 1 901 . 1 1 70 70 GLU N N 15 123.6 0.2 . 1 . . . . . . . . 4047 1 902 . 1 1 71 71 ILE H H 1 9.02 0.04 . 1 . . . . . . . . 4047 1 903 . 1 1 71 71 ILE HA H 1 4.65 0.04 . 1 . . . . . . . . 4047 1 904 . 1 1 71 71 ILE HB H 1 1.98 0.04 . 1 . . . . . . . . 4047 1 905 . 1 1 71 71 ILE HG12 H 1 1.56 0.04 . 2 . . . . . . . . 4047 1 906 . 1 1 71 71 ILE HG13 H 1 1.25 0.04 . 2 . . . . . . . . 4047 1 907 . 1 1 71 71 ILE HG21 H 1 1.09 0.04 . 1 . . . . . . . . 4047 1 908 . 1 1 71 71 ILE HG22 H 1 1.09 0.04 . 1 . . . . . . . . 4047 1 909 . 1 1 71 71 ILE HG23 H 1 1.09 0.04 . 1 . . . . . . . . 4047 1 910 . 1 1 71 71 ILE HD11 H 1 0.91 0.04 . 1 . . . . . . . . 4047 1 911 . 1 1 71 71 ILE HD12 H 1 0.91 0.04 . 1 . . . . . . . . 4047 1 912 . 1 1 71 71 ILE HD13 H 1 0.91 0.04 . 1 . . . . . . . . 4047 1 913 . 1 1 71 71 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 4047 1 914 . 1 1 71 71 ILE CA C 13 56.3 0.2 . 1 . . . . . . . . 4047 1 915 . 1 1 71 71 ILE CB C 13 36.7 0.2 . 1 . . . . . . . . 4047 1 916 . 1 1 71 71 ILE CG1 C 13 25.3 0.2 . 1 . . . . . . . . 4047 1 917 . 1 1 71 71 ILE CG2 C 13 15.1 0.2 . 1 . . . . . . . . 4047 1 918 . 1 1 71 71 ILE CD1 C 13 10.8 0.2 . 1 . . . . . . . . 4047 1 919 . 1 1 71 71 ILE N N 15 129.6 0.2 . 1 . . . . . . . . 4047 1 920 . 1 1 72 72 PRO HA H 1 4.61 0.04 . 1 . . . . . . . . 4047 1 921 . 1 1 72 72 PRO HB2 H 1 2.49 0.04 . 1 . . . . . . . . 4047 1 922 . 1 1 72 72 PRO HB3 H 1 2.49 0.04 . 1 . . . . . . . . 4047 1 923 . 1 1 72 72 PRO HG2 H 1 2.12 0.04 . 1 . . . . . . . . 4047 1 924 . 1 1 72 72 PRO HG3 H 1 2.12 0.04 . 1 . . . . . . . . 4047 1 925 . 1 1 72 72 PRO HD2 H 1 4.04 0.04 . 2 . . . . . . . . 4047 1 926 . 1 1 72 72 PRO HD3 H 1 3.85 0.04 . 2 . . . . . . . . 4047 1 927 . 1 1 72 72 PRO C C 13 175.7 0.2 . 1 . . . . . . . . 4047 1 928 . 1 1 72 72 PRO CA C 13 60.6 0.2 . 1 . . . . . . . . 4047 1 929 . 1 1 72 72 PRO CB C 13 30.8 0.2 . 1 . . . . . . . . 4047 1 930 . 1 1 72 72 PRO CG C 13 25.2 0.2 . 1 . . . . . . . . 4047 1 931 . 1 1 72 72 PRO CD C 13 49.3 0.2 . 1 . . . . . . . . 4047 1 932 . 1 1 72 72 PRO N N 15 129.9 0.2 . 1 . . . . . . . . 4047 1 933 . 1 1 73 73 ALA H H 1 8.6 0.04 . 1 . . . . . . . . 4047 1 934 . 1 1 73 73 ALA HA H 1 4.48 0.04 . 1 . . . . . . . . 4047 1 935 . 1 1 73 73 ALA HB1 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 936 . 1 1 73 73 ALA HB2 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 937 . 1 1 73 73 ALA HB3 H 1 1.57 0.04 . 1 . . . . . . . . 4047 1 938 . 1 1 73 73 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 4047 1 939 . 1 1 73 73 ALA CA C 13 50.6 0.2 . 1 . . . . . . . . 4047 1 940 . 1 1 73 73 ALA CB C 13 17.4 0.2 . 1 . . . . . . . . 4047 1 941 . 1 1 73 73 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 4047 1 942 . 1 1 74 74 SER H H 1 8.56 0.04 . 1 . . . . . . . . 4047 1 943 . 1 1 74 74 SER HA H 1 4.87 0.04 . 1 . . . . . . . . 4047 1 944 . 1 1 74 74 SER HB2 H 1 3.96 0.04 . 2 . . . . . . . . 4047 1 945 . 1 1 74 74 SER HB3 H 1 3.89 0.04 . 2 . . . . . . . . 4047 1 946 . 1 1 74 74 SER C C 13 171.2 0.2 . 1 . . . . . . . . 4047 1 947 . 1 1 74 74 SER CA C 13 55.4 0.2 . 1 . . . . . . . . 4047 1 948 . 1 1 74 74 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 4047 1 949 . 1 1 74 74 SER N N 15 115.00 0.2 . 1 . . . . . . . . 4047 1 950 . 1 1 75 75 LYS H H 1 8.58 0.04 . 1 . . . . . . . . 4047 1 951 . 1 1 75 75 LYS HA H 1 5.14 0.04 . 1 . . . . . . . . 4047 1 952 . 1 1 75 75 LYS HB2 H 1 1.89 0.04 . 2 . . . . . . . . 4047 1 953 . 1 1 75 75 LYS HB3 H 1 1.62 0.04 . 2 . . . . . . . . 4047 1 954 . 1 1 75 75 LYS HG2 H 1 1.6 0.04 . 2 . . . . . . . . 4047 1 955 . 1 1 75 75 LYS HG3 H 1 1.39 0.04 . 2 . . . . . . . . 4047 1 956 . 1 1 75 75 LYS HD2 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 957 . 1 1 75 75 LYS HD3 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 958 . 1 1 75 75 LYS HE2 H 1 3.13 0.04 . 1 . . . . . . . . 4047 1 959 . 1 1 75 75 LYS HE3 H 1 3.13 0.04 . 1 . . . . . . . . 4047 1 960 . 1 1 75 75 LYS C C 13 173.9 0.2 . 1 . . . . . . . . 4047 1 961 . 1 1 75 75 LYS CA C 13 53.9 0.2 . 1 . . . . . . . . 4047 1 962 . 1 1 75 75 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 4047 1 963 . 1 1 75 75 LYS CG C 13 23.4 0.2 . 1 . . . . . . . . 4047 1 964 . 1 1 75 75 LYS CD C 13 27.4 0.2 . 1 . . . . . . . . 4047 1 965 . 1 1 75 75 LYS CE C 13 40.2 0.2 . 1 . . . . . . . . 4047 1 966 . 1 1 75 75 LYS N N 15 123.7 0.2 . 1 . . . . . . . . 4047 1 967 . 1 1 76 76 VAL H H 1 8.94 0.04 . 1 . . . . . . . . 4047 1 968 . 1 1 76 76 VAL HA H 1 5.02 0.04 . 1 . . . . . . . . 4047 1 969 . 1 1 76 76 VAL HB H 1 2.23 0.04 . 1 . . . . . . . . 4047 1 970 . 1 1 76 76 VAL HG11 H 1 1.09 0.04 . 2 . . . . . . . . 4047 1 971 . 1 1 76 76 VAL HG12 H 1 1.09 0.04 . 2 . . . . . . . . 4047 1 972 . 1 1 76 76 VAL HG13 H 1 1.09 0.04 . 2 . . . . . . . . 4047 1 973 . 1 1 76 76 VAL HG21 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 974 . 1 1 76 76 VAL HG22 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 975 . 1 1 76 76 VAL HG23 H 1 1.03 0.04 . 2 . . . . . . . . 4047 1 976 . 1 1 76 76 VAL C C 13 171.00 0.2 . 1 . . . . . . . . 4047 1 977 . 1 1 76 76 VAL CA C 13 56.1 0.2 . 1 . . . . . . . . 4047 1 978 . 1 1 76 76 VAL CB C 13 33.2 0.2 . 1 . . . . . . . . 4047 1 979 . 1 1 76 76 VAL CG1 C 13 19.2 0.2 . 2 . . . . . . . . 4047 1 980 . 1 1 76 76 VAL CG2 C 13 17.7 0.2 . 2 . . . . . . . . 4047 1 981 . 1 1 76 76 VAL N N 15 118.8 0.2 . 1 . . . . . . . . 4047 1 982 . 1 1 77 77 PRO HA H 1 5.2 0.04 . 1 . . . . . . . . 4047 1 983 . 1 1 77 77 PRO HB2 H 1 2.29 0.04 . 2 . . . . . . . . 4047 1 984 . 1 1 77 77 PRO HB3 H 1 1.99 0.04 . 2 . . . . . . . . 4047 1 985 . 1 1 77 77 PRO HG2 H 1 2.1 0.04 . 2 . . . . . . . . 4047 1 986 . 1 1 77 77 PRO HG3 H 1 2.00 0.04 . 2 . . . . . . . . 4047 1 987 . 1 1 77 77 PRO HD2 H 1 4.12 0.04 . 2 . . . . . . . . 4047 1 988 . 1 1 77 77 PRO HD3 H 1 3.81 0.04 . 2 . . . . . . . . 4047 1 989 . 1 1 77 77 PRO C C 13 173.00 0.2 . 1 . . . . . . . . 4047 1 990 . 1 1 77 77 PRO CA C 13 59.9 0.2 . 1 . . . . . . . . 4047 1 991 . 1 1 77 77 PRO CB C 13 29.9 0.2 . 1 . . . . . . . . 4047 1 992 . 1 1 77 77 PRO CG C 13 25.4 0.2 . 1 . . . . . . . . 4047 1 993 . 1 1 77 77 PRO CD C 13 48.2 0.2 . 1 . . . . . . . . 4047 1 994 . 1 1 77 77 PRO N N 15 130.7 0.2 . 1 . . . . . . . . 4047 1 995 . 1 1 78 78 ALA H H 1 9.48 0.04 . 1 . . . . . . . . 4047 1 996 . 1 1 78 78 ALA HA H 1 5.02 0.04 . 1 . . . . . . . . 4047 1 997 . 1 1 78 78 ALA HB1 H 1 1.51 0.04 . 1 . . . . . . . . 4047 1 998 . 1 1 78 78 ALA HB2 H 1 1.51 0.04 . 1 . . . . . . . . 4047 1 999 . 1 1 78 78 ALA HB3 H 1 1.51 0.04 . 1 . . . . . . . . 4047 1 1000 . 1 1 78 78 ALA C C 13 172.8 0.2 . 1 . . . . . . . . 4047 1 1001 . 1 1 78 78 ALA CA C 13 49.3 0.2 . 1 . . . . . . . . 4047 1 1002 . 1 1 78 78 ALA CB C 13 21.1 0.2 . 1 . . . . . . . . 4047 1 1003 . 1 1 78 78 ALA N N 15 125.3 0.2 . 1 . . . . . . . . 4047 1 1004 . 1 1 79 79 PHE H H 1 8.64 0.04 . 1 . . . . . . . . 4047 1 1005 . 1 1 79 79 PHE HA H 1 5.54 0.04 . 1 . . . . . . . . 4047 1 1006 . 1 1 79 79 PHE HB2 H 1 2.93 0.04 . 2 . . . . . . . . 4047 1 1007 . 1 1 79 79 PHE HB3 H 1 2.63 0.04 . 2 . . . . . . . . 4047 1 1008 . 1 1 79 79 PHE HD1 H 1 6.24 0.04 . 1 . . . . . . . . 4047 1 1009 . 1 1 79 79 PHE HD2 H 1 6.24 0.04 . 1 . . . . . . . . 4047 1 1010 . 1 1 79 79 PHE HE1 H 1 6.57 0.04 . 1 . . . . . . . . 4047 1 1011 . 1 1 79 79 PHE HE2 H 1 6.57 0.04 . 1 . . . . . . . . 4047 1 1012 . 1 1 79 79 PHE HZ H 1 6.38 0.04 . 1 . . . . . . . . 4047 1 1013 . 1 1 79 79 PHE C C 13 171.9 0.2 . 1 . . . . . . . . 4047 1 1014 . 1 1 79 79 PHE CA C 13 52.6 0.2 . 1 . . . . . . . . 4047 1 1015 . 1 1 79 79 PHE CB C 13 41.7 0.2 . 1 . . . . . . . . 4047 1 1016 . 1 1 79 79 PHE CD1 C 13 130.3 0.2 . 1 . . . . . . . . 4047 1 1017 . 1 1 79 79 PHE CD2 C 13 130.3 0.2 . 1 . . . . . . . . 4047 1 1018 . 1 1 79 79 PHE CE1 C 13 127.6 0.2 . 1 . . . . . . . . 4047 1 1019 . 1 1 79 79 PHE CE2 C 13 127.6 0.2 . 1 . . . . . . . . 4047 1 1020 . 1 1 79 79 PHE CZ C 13 128.4 0.2 . 1 . . . . . . . . 4047 1 1021 . 1 1 79 79 PHE N N 15 120.8 0.2 . 1 . . . . . . . . 4047 1 1022 . 1 1 80 80 LYS H H 1 8.58 0.04 . 1 . . . . . . . . 4047 1 1023 . 1 1 80 80 LYS HA H 1 4.77 0.04 . 1 . . . . . . . . 4047 1 1024 . 1 1 80 80 LYS HB2 H 1 1.68 0.04 . 2 . . . . . . . . 4047 1 1025 . 1 1 80 80 LYS HB3 H 1 1.55 0.04 . 2 . . . . . . . . 4047 1 1026 . 1 1 80 80 LYS HG2 H 1 1.4 0.04 . 2 . . . . . . . . 4047 1 1027 . 1 1 80 80 LYS HG3 H 1 1.27 0.04 . 2 . . . . . . . . 4047 1 1028 . 1 1 80 80 LYS HD2 H 1 1.71 0.04 . 1 . . . . . . . . 4047 1 1029 . 1 1 80 80 LYS HD3 H 1 1.71 0.04 . 1 . . . . . . . . 4047 1 1030 . 1 1 80 80 LYS HE2 H 1 3.02 0.04 . 1 . . . . . . . . 4047 1 1031 . 1 1 80 80 LYS HE3 H 1 3.02 0.04 . 1 . . . . . . . . 4047 1 1032 . 1 1 80 80 LYS C C 13 170.9 0.2 . 1 . . . . . . . . 4047 1 1033 . 1 1 80 80 LYS CA C 13 49.5 0.2 . 1 . . . . . . . . 4047 1 1034 . 1 1 80 80 LYS CB C 13 32.00 0.2 . 1 . . . . . . . . 4047 1 1035 . 1 1 80 80 LYS CG C 13 22.1 0.2 . 1 . . . . . . . . 4047 1 1036 . 1 1 80 80 LYS CD C 13 27.1 0.2 . 1 . . . . . . . . 4047 1 1037 . 1 1 80 80 LYS CE C 13 40.1 0.2 . 1 . . . . . . . . 4047 1 1038 . 1 1 80 80 LYS N N 15 130.1 0.2 . 1 . . . . . . . . 4047 1 1039 . 1 1 80 80 LYS NZ N 15 34.1 0.2 . 1 . . . . . . . . 4047 1 1040 . 1 1 81 81 PRO HA H 1 3.87 0.04 . 1 . . . . . . . . 4047 1 1041 . 1 1 81 81 PRO HB2 H 1 1.92 0.04 . 1 . . . . . . . . 4047 1 1042 . 1 1 81 81 PRO HB3 H 1 1.92 0.04 . 1 . . . . . . . . 4047 1 1043 . 1 1 81 81 PRO HG2 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 1044 . 1 1 81 81 PRO HG3 H 1 2.11 0.04 . 1 . . . . . . . . 4047 1 1045 . 1 1 81 81 PRO HD2 H 1 3.92 0.04 . 2 . . . . . . . . 4047 1 1046 . 1 1 81 81 PRO HD3 H 1 3.58 0.04 . 2 . . . . . . . . 4047 1 1047 . 1 1 81 81 PRO C C 13 173.7 0.2 . 1 . . . . . . . . 4047 1 1048 . 1 1 81 81 PRO CA C 13 60.4 0.2 . 1 . . . . . . . . 4047 1 1049 . 1 1 81 81 PRO CB C 13 31.1 0.2 . 1 . . . . . . . . 4047 1 1050 . 1 1 81 81 PRO CG C 13 24.9 0.2 . 1 . . . . . . . . 4047 1 1051 . 1 1 81 81 PRO CD C 13 49.00 0.2 . 1 . . . . . . . . 4047 1 1052 . 1 1 81 81 PRO N N 15 130.6 0.2 . 1 . . . . . . . . 4047 1 1053 . 1 1 82 82 GLY H H 1 8.34 0.04 . 1 . . . . . . . . 4047 1 1054 . 1 1 82 82 GLY HA2 H 1 4.32 0.04 . 2 . . . . . . . . 4047 1 1055 . 1 1 82 82 GLY HA3 H 1 3.55 0.04 . 2 . . . . . . . . 4047 1 1056 . 1 1 82 82 GLY C C 13 171.8 0.2 . 1 . . . . . . . . 4047 1 1057 . 1 1 82 82 GLY CA C 13 41.5 0.2 . 1 . . . . . . . . 4047 1 1058 . 1 1 82 82 GLY N N 15 111.8 0.2 . 1 . . . . . . . . 4047 1 1059 . 1 1 83 83 LYS H H 1 8.52 0.04 . 1 . . . . . . . . 4047 1 1060 . 1 1 83 83 LYS HA H 1 3.89 0.04 . 1 . . . . . . . . 4047 1 1061 . 1 1 83 83 LYS HB2 H 1 2.03 0.04 . 2 . . . . . . . . 4047 1 1062 . 1 1 83 83 LYS HB3 H 1 1.94 0.04 . 2 . . . . . . . . 4047 1 1063 . 1 1 83 83 LYS HG2 H 1 1.58 0.04 . 2 . . . . . . . . 4047 1 1064 . 1 1 83 83 LYS HG3 H 1 1.54 0.04 . 2 . . . . . . . . 4047 1 1065 . 1 1 83 83 LYS HD2 H 1 1.86 0.04 . 2 . . . . . . . . 4047 1 1066 . 1 1 83 83 LYS HD3 H 1 1.75 0.04 . 2 . . . . . . . . 4047 1 1067 . 1 1 83 83 LYS HE2 H 1 3.17 0.04 . 1 . . . . . . . . 4047 1 1068 . 1 1 83 83 LYS HE3 H 1 3.17 0.04 . 1 . . . . . . . . 4047 1 1069 . 1 1 83 83 LYS C C 13 175.7 0.2 . 1 . . . . . . . . 4047 1 1070 . 1 1 83 83 LYS CA C 13 58.2 0.2 . 1 . . . . . . . . 4047 1 1071 . 1 1 83 83 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 4047 1 1072 . 1 1 83 83 LYS CG C 13 22.6 0.2 . 1 . . . . . . . . 4047 1 1073 . 1 1 83 83 LYS CD C 13 27.00 0.2 . 1 . . . . . . . . 4047 1 1074 . 1 1 83 83 LYS CE C 13 40.4 0.2 . 1 . . . . . . . . 4047 1 1075 . 1 1 83 83 LYS N N 15 121.7 0.2 . 1 . . . . . . . . 4047 1 1076 . 1 1 84 84 ALA H H 1 8.41 0.04 . 1 . . . . . . . . 4047 1 1077 . 1 1 84 84 ALA HA H 1 4.31 0.04 . 1 . . . . . . . . 4047 1 1078 . 1 1 84 84 ALA HB1 H 1 1.55 0.04 . 1 . . . . . . . . 4047 1 1079 . 1 1 84 84 ALA HB2 H 1 1.55 0.04 . 1 . . . . . . . . 4047 1 1080 . 1 1 84 84 ALA HB3 H 1 1.55 0.04 . 1 . . . . . . . . 4047 1 1081 . 1 1 84 84 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4047 1 1082 . 1 1 84 84 ALA CA C 13 53.1 0.2 . 1 . . . . . . . . 4047 1 1083 . 1 1 84 84 ALA CB C 13 15.9 0.2 . 1 . . . . . . . . 4047 1 1084 . 1 1 84 84 ALA N N 15 119.9 0.2 . 1 . . . . . . . . 4047 1 1085 . 1 1 85 85 LEU H H 1 7.31 0.04 . 1 . . . . . . . . 4047 1 1086 . 1 1 85 85 LEU HA H 1 4.33 0.04 . 1 . . . . . . . . 4047 1 1087 . 1 1 85 85 LEU HB2 H 1 1.86 0.04 . 2 . . . . . . . . 4047 1 1088 . 1 1 85 85 LEU HB3 H 1 1.73 0.04 . 2 . . . . . . . . 4047 1 1089 . 1 1 85 85 LEU HG H 1 1.12 0.04 . 1 . . . . . . . . 4047 1 1090 . 1 1 85 85 LEU HD11 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1091 . 1 1 85 85 LEU HD12 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1092 . 1 1 85 85 LEU HD13 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1093 . 1 1 85 85 LEU HD21 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1094 . 1 1 85 85 LEU HD22 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1095 . 1 1 85 85 LEU HD23 H 1 0.66 0.04 . 1 . . . . . . . . 4047 1 1096 . 1 1 85 85 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4047 1 1097 . 1 1 85 85 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4047 1 1098 . 1 1 85 85 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 4047 1 1099 . 1 1 85 85 LEU CG C 13 22.2 0.2 . 1 . . . . . . . . 4047 1 1100 . 1 1 85 85 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4047 1 1101 . 1 1 85 85 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 4047 1 1102 . 1 1 85 85 LEU N N 15 120.2 0.2 . 1 . . . . . . . . 4047 1 1103 . 1 1 86 86 LYS H H 1 8.12 0.04 . 1 . . . . . . . . 4047 1 1104 . 1 1 86 86 LYS HA H 1 3.89 0.04 . 1 . . . . . . . . 4047 1 1105 . 1 1 86 86 LYS HB2 H 1 2.02 0.04 . 2 . . . . . . . . 4047 1 1106 . 1 1 86 86 LYS HB3 H 1 1.97 0.04 . 2 . . . . . . . . 4047 1 1107 . 1 1 86 86 LYS HG2 H 1 1.63 0.04 . 2 . . . . . . . . 4047 1 1108 . 1 1 86 86 LYS HG3 H 1 1.47 0.04 . 2 . . . . . . . . 4047 1 1109 . 1 1 86 86 LYS HD2 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 1110 . 1 1 86 86 LYS HD3 H 1 1.83 0.04 . 1 . . . . . . . . 4047 1 1111 . 1 1 86 86 LYS HE2 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 1112 . 1 1 86 86 LYS HE3 H 1 3.14 0.04 . 1 . . . . . . . . 4047 1 1113 . 1 1 86 86 LYS C C 13 177.7 0.2 . 1 . . . . . . . . 4047 1 1114 . 1 1 86 86 LYS CA C 13 58.8 0.2 . 1 . . . . . . . . 4047 1 1115 . 1 1 86 86 LYS CB C 13 29.8 0.2 . 1 . . . . . . . . 4047 1 1116 . 1 1 86 86 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 4047 1 1117 . 1 1 86 86 LYS CD C 13 27.3 0.2 . 1 . . . . . . . . 4047 1 1118 . 1 1 86 86 LYS CE C 13 40.00 0.2 . 1 . . . . . . . . 4047 1 1119 . 1 1 86 86 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 4047 1 1120 . 1 1 87 87 ASP H H 1 8.6 0.04 . 1 . . . . . . . . 4047 1 1121 . 1 1 87 87 ASP HA H 1 4.52 0.04 . 1 . . . . . . . . 4047 1 1122 . 1 1 87 87 ASP HB2 H 1 2.88 0.04 . 2 . . . . . . . . 4047 1 1123 . 1 1 87 87 ASP HB3 H 1 2.76 0.04 . 2 . . . . . . . . 4047 1 1124 . 1 1 87 87 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 4047 1 1125 . 1 1 87 87 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 4047 1 1126 . 1 1 87 87 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 4047 1 1127 . 1 1 87 87 ASP CG C 13 177.1 0.2 . 1 . . . . . . . . 4047 1 1128 . 1 1 87 87 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 4047 1 1129 . 1 1 88 88 ALA H H 1 7.77 0.04 . 1 . . . . . . . . 4047 1 1130 . 1 1 88 88 ALA HA H 1 4.35 0.04 . 1 . . . . . . . . 4047 1 1131 . 1 1 88 88 ALA HB1 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 1132 . 1 1 88 88 ALA HB2 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 1133 . 1 1 88 88 ALA HB3 H 1 1.65 0.04 . 1 . . . . . . . . 4047 1 1134 . 1 1 88 88 ALA C C 13 176.7 0.2 . 1 . . . . . . . . 4047 1 1135 . 1 1 88 88 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 4047 1 1136 . 1 1 88 88 ALA CB C 13 17.00 0.2 . 1 . . . . . . . . 4047 1 1137 . 1 1 88 88 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 4047 1 1138 . 1 1 89 89 VAL H H 1 7.16 0.04 . 1 . . . . . . . . 4047 1 1139 . 1 1 89 89 VAL HA H 1 4.43 0.04 . 1 . . . . . . . . 4047 1 1140 . 1 1 89 89 VAL HB H 1 2.47 0.04 . 1 . . . . . . . . 4047 1 1141 . 1 1 89 89 VAL HG11 H 1 0.97 0.04 . 2 . . . . . . . . 4047 1 1142 . 1 1 89 89 VAL HG12 H 1 0.97 0.04 . 2 . . . . . . . . 4047 1 1143 . 1 1 89 89 VAL HG13 H 1 0.97 0.04 . 2 . . . . . . . . 4047 1 1144 . 1 1 89 89 VAL HG21 H 1 0.95 0.04 . 2 . . . . . . . . 4047 1 1145 . 1 1 89 89 VAL HG22 H 1 0.95 0.04 . 2 . . . . . . . . 4047 1 1146 . 1 1 89 89 VAL HG23 H 1 0.95 0.04 . 2 . . . . . . . . 4047 1 1147 . 1 1 89 89 VAL C C 13 178.2 0.2 . 1 . . . . . . . . 4047 1 1148 . 1 1 89 89 VAL CA C 13 59.1 0.2 . 1 . . . . . . . . 4047 1 1149 . 1 1 89 89 VAL CB C 13 29.9 0.2 . 1 . . . . . . . . 4047 1 1150 . 1 1 89 89 VAL CG1 C 13 17.5 0.2 . 2 . . . . . . . . 4047 1 1151 . 1 1 89 89 VAL CG2 C 13 19.8 0.2 . 2 . . . . . . . . 4047 1 1152 . 1 1 89 89 VAL N N 15 108.4 0.2 . 1 . . . . . . . . 4047 1 1153 . 1 1 90 90 LYS H H 1 7.13 0.04 . 1 . . . . . . . . 4047 1 1154 . 1 1 90 90 LYS HA H 1 4.26 0.04 . 1 . . . . . . . . 4047 1 1155 . 1 1 90 90 LYS HB2 H 1 2.02 0.04 . 1 . . . . . . . . 4047 1 1156 . 1 1 90 90 LYS HB3 H 1 2.02 0.04 . 1 . . . . . . . . 4047 1 1157 . 1 1 90 90 LYS HG2 H 1 1.69 0.04 . 1 . . . . . . . . 4047 1 1158 . 1 1 90 90 LYS HG3 H 1 1.69 0.04 . 1 . . . . . . . . 4047 1 1159 . 1 1 90 90 LYS HD2 H 1 1.9 0.04 . 1 . . . . . . . . 4047 1 1160 . 1 1 90 90 LYS HD3 H 1 1.9 0.04 . 1 . . . . . . . . 4047 1 1161 . 1 1 90 90 LYS HE2 H 1 3.2 0.04 . 1 . . . . . . . . 4047 1 1162 . 1 1 90 90 LYS HE3 H 1 3.2 0.04 . 1 . . . . . . . . 4047 1 1163 . 1 1 90 90 LYS C C 13 179.2 0.2 . 1 . . . . . . . . 4047 1 1164 . 1 1 90 90 LYS CA C 13 56.8 0.2 . 1 . . . . . . . . 4047 1 1165 . 1 1 90 90 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 4047 1 1166 . 1 1 90 90 LYS CG C 13 22.6 0.2 . 1 . . . . . . . . 4047 1 1167 . 1 1 90 90 LYS CD C 13 27.9 0.2 . 1 . . . . . . . . 4047 1 1168 . 1 1 90 90 LYS CE C 13 40.5 0.2 . 1 . . . . . . . . 4047 1 1169 . 1 1 90 90 LYS N N 15 125.9 0.2 . 1 . . . . . . . . 4047 1 stop_ save_