data_6254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6254 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for I14A mutant of histidine-containing phosphocarrier protein from Staphylococcus carnosus ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-06-27 _Entry.Accession_date 2004-06-28 _Entry.Last_release_date 2005-01-14 _Entry.Original_release_date 2005-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Moglich . . . 6254 2 Brigitte Koch . . . 6254 3 Wolfgang Hengstenberg . . . 6254 4 Eike Brunner . . . 6254 5 'Hans Robert' Kalbitzer . . . 6254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 598 6254 '13C chemical shifts' 269 6254 '15N chemical shifts' 93 6254 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 . . 2005-01-14 2004-06-27 original author . 6254 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 6254 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15606769 _Citation.Full_citation . _Citation.Title ; Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 271 _Citation.Journal_issue 23-24 _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 4815 _Citation.Page_last 4824 _Citation.Year 2004 _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 Andreas Moglich . . . 6254 1 2 Brigitte Koch . . . 6254 1 3 W. Gronwald . . . 6254 1 4 Wolfgang Hengstenberg . . . 6254 1 5 Eike Brunner . . . 6254 1 6 'Hans Robert' Kalbitzer . . . 6254 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 6254 1 'mutant protein' 6254 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6254 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gorler Adrian, Hengstenberg Wolfgang, Kravanja M., Beneicke W., Maurer Till, Kalbitzer "Hans Robert" Appl. Magn. Reson. 1999 17, 465-480 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6254 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10794411 _Citation.Full_citation ; Kalbitzer HR, Gorler A, Li H, Dubovskii PV, Hengstenberg W, Kowolik C, Yamada H, Akasaka K. Protein Sci. 693-703 Protein Sci. 2000 Apr;9(4):693-703. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6254 _Assembly.ID 1 _Assembly.Name 'HPr monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6254 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 HPr 1 $HPr_I14A_from_S._carnosus . . . native . . . . . 6254 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HPr monomer' system 6254 1 HPr abbreviation 6254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPr_I14A_from_S._carnosus _Entity.Sf_category entity _Entity.Sf_framecode HPr_I14A_from_S._carnosus _Entity.Entry_ID 6254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HPrI14A from S. carnosus' _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 ; MEQQSYTIIDETGAHARPAT MLVQTASKFDSDIQLEYNGK KVNLKSIMGVMSLGVGKDAE ITIYADGSDEADAIQAITDV LSKEGLTE ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1QR5 . "Solution Structure Of Histidine Containing Protein (Hpr) From Staphylococcus Carnosus" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 2 no PDB 1TXE . "Solution Structure Of The Active-Centre Mutant Ile14ala Of The Histidine-Containing Phosphocarrier Protein (Hpr) From Staphyloc" . . . . . 100.00 88 100.00 100.00 4.20e-55 . . . . 6254 1 3 no EMBL CAA43175 . "Histidine-containing protein (HPr) [Staphylococcus carnosus]" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 4 no EMBL CAL27615 . "phosphocarrier protein HPR [Staphylococcus carnosus subsp. carnosus TM300]" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 5 no GB AAA26663 . "ptsH, partial [Staphylococcus carnosus]" . . . . . 52.27 46 100.00 100.00 1.90e-21 . . . . 6254 1 6 no GB EKS26159 . "phosphocarrier protein HPr [Staphylococcus simulans ACS-120-V-Sch1]" . . . . . 98.86 88 97.70 98.85 6.96e-53 . . . . 6254 1 7 no GB ERS92838 . "phosphocarrier protein HPr [Staphylococcus simulans UMC-CNS-990]" . . . . . 98.86 88 97.70 98.85 6.96e-53 . . . . 6254 1 8 no REF WP_002480512 . "phosphocarrier protein HPr [Staphylococcus simulans]" . . . . . 98.86 88 97.70 98.85 6.96e-53 . . . . 6254 1 9 no REF WP_015899958 . "phosphocarrier protein HPr [Staphylococcus carnosus]" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 10 no REF YP_002633800 . "phosphocarrier protein HPr [Staphylococcus carnosus subsp. carnosus TM300]" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 11 no SP P23534 . "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Staphylococcus carnosus]" . . . . . 100.00 88 98.86 98.86 3.60e-54 . . . . 6254 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HPrI14A from S. carnosus' common 6254 1 HPr abbreviation 6254 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6254 1 2 . GLU . 6254 1 3 . GLN . 6254 1 4 . GLN . 6254 1 5 . SER . 6254 1 6 . TYR . 6254 1 7 . THR . 6254 1 8 . ILE . 6254 1 9 . ILE . 6254 1 10 . ASP . 6254 1 11 . GLU . 6254 1 12 . THR . 6254 1 13 . GLY . 6254 1 14 . ALA . 6254 1 15 . HIS . 6254 1 16 . ALA . 6254 1 17 . ARG . 6254 1 18 . PRO . 6254 1 19 . ALA . 6254 1 20 . THR . 6254 1 21 . MET . 6254 1 22 . LEU . 6254 1 23 . VAL . 6254 1 24 . GLN . 6254 1 25 . THR . 6254 1 26 . ALA . 6254 1 27 . SER . 6254 1 28 . LYS . 6254 1 29 . PHE . 6254 1 30 . ASP . 6254 1 31 . SER . 6254 1 32 . ASP . 6254 1 33 . ILE . 6254 1 34 . GLN . 6254 1 35 . LEU . 6254 1 36 . GLU . 6254 1 37 . TYR . 6254 1 38 . ASN . 6254 1 39 . GLY . 6254 1 40 . LYS . 6254 1 41 . LYS . 6254 1 42 . VAL . 6254 1 43 . ASN . 6254 1 44 . LEU . 6254 1 45 . LYS . 6254 1 46 . SER . 6254 1 47 . ILE . 6254 1 48 . MET . 6254 1 49 . GLY . 6254 1 50 . VAL . 6254 1 51 . MET . 6254 1 52 . SER . 6254 1 53 . LEU . 6254 1 54 . GLY . 6254 1 55 . VAL . 6254 1 56 . GLY . 6254 1 57 . LYS . 6254 1 58 . ASP . 6254 1 59 . ALA . 6254 1 60 . GLU . 6254 1 61 . ILE . 6254 1 62 . THR . 6254 1 63 . ILE . 6254 1 64 . TYR . 6254 1 65 . ALA . 6254 1 66 . ASP . 6254 1 67 . GLY . 6254 1 68 . SER . 6254 1 69 . ASP . 6254 1 70 . GLU . 6254 1 71 . ALA . 6254 1 72 . ASP . 6254 1 73 . ALA . 6254 1 74 . ILE . 6254 1 75 . GLN . 6254 1 76 . ALA . 6254 1 77 . ILE . 6254 1 78 . THR . 6254 1 79 . ASP . 6254 1 80 . VAL . 6254 1 81 . LEU . 6254 1 82 . SER . 6254 1 83 . LYS . 6254 1 84 . GLU . 6254 1 85 . GLY . 6254 1 86 . LEU . 6254 1 87 . THR . 6254 1 88 . GLU . 6254 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 6254 1 . GLU 2 2 6254 1 . GLN 3 3 6254 1 . GLN 4 4 6254 1 . SER 5 5 6254 1 . TYR 6 6 6254 1 . THR 7 7 6254 1 . ILE 8 8 6254 1 . ILE 9 9 6254 1 . ASP 10 10 6254 1 . GLU 11 11 6254 1 . THR 12 12 6254 1 . GLY 13 13 6254 1 . ALA 14 14 6254 1 . HIS 15 15 6254 1 . ALA 16 16 6254 1 . ARG 17 17 6254 1 . PRO 18 18 6254 1 . ALA 19 19 6254 1 . THR 20 20 6254 1 . MET 21 21 6254 1 . LEU 22 22 6254 1 . VAL 23 23 6254 1 . GLN 24 24 6254 1 . THR 25 25 6254 1 . ALA 26 26 6254 1 . SER 27 27 6254 1 . LYS 28 28 6254 1 . PHE 29 29 6254 1 . ASP 30 30 6254 1 . SER 31 31 6254 1 . ASP 32 32 6254 1 . ILE 33 33 6254 1 . GLN 34 34 6254 1 . LEU 35 35 6254 1 . GLU 36 36 6254 1 . TYR 37 37 6254 1 . ASN 38 38 6254 1 . GLY 39 39 6254 1 . LYS 40 40 6254 1 . LYS 41 41 6254 1 . VAL 42 42 6254 1 . ASN 43 43 6254 1 . LEU 44 44 6254 1 . LYS 45 45 6254 1 . SER 46 46 6254 1 . ILE 47 47 6254 1 . MET 48 48 6254 1 . GLY 49 49 6254 1 . VAL 50 50 6254 1 . MET 51 51 6254 1 . SER 52 52 6254 1 . LEU 53 53 6254 1 . GLY 54 54 6254 1 . VAL 55 55 6254 1 . GLY 56 56 6254 1 . LYS 57 57 6254 1 . ASP 58 58 6254 1 . ALA 59 59 6254 1 . GLU 60 60 6254 1 . ILE 61 61 6254 1 . THR 62 62 6254 1 . ILE 63 63 6254 1 . TYR 64 64 6254 1 . ALA 65 65 6254 1 . ASP 66 66 6254 1 . GLY 67 67 6254 1 . SER 68 68 6254 1 . ASP 69 69 6254 1 . GLU 70 70 6254 1 . ALA 71 71 6254 1 . ASP 72 72 6254 1 . ALA 73 73 6254 1 . ILE 74 74 6254 1 . GLN 75 75 6254 1 . ALA 76 76 6254 1 . ILE 77 77 6254 1 . THR 78 78 6254 1 . ASP 79 79 6254 1 . VAL 80 80 6254 1 . LEU 81 81 6254 1 . SER 82 82 6254 1 . LYS 83 83 6254 1 . GLU 84 84 6254 1 . GLY 85 85 6254 1 . LEU 86 86 6254 1 . THR 87 87 6254 1 . GLU 88 88 6254 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 6254 _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 $HPr_I14A_from_S._carnosus . 1281 organism . 'Staphylococcus carnosus' 'Staphylococcus carnosus' . . Bacteria . Staphylococcus carnosus . . . . . . . . . . . . . . . . . . . . . 6254 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 6254 _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 $HPr_I14A_from_S._carnosus . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6254 _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 'HPrI14A from S. carnosus' [U-15N] . . 1 $HPr_I14A_from_S._carnosus . . 1.7 . . mM . . . . 6254 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6254 1 3 'potassium chloride' . . . . . . . 100 . . mM . . . . 6254 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6254 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HPrI14A from S. carnosus' '[U-13C; U-15N]' . . 1 $HPr_I14A_from_S._carnosus . . 1.5 . . mM . . . . 6254 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6254 2 3 'potassium chloride' . . . . . . . 100 . . mM . . . . 6254 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6254 _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 7.14 . pH 6254 1 temperature 298 . K 6254 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DMX_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX_500 _NMR_spectrometer.Entry_ID 6254 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_DMX_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX_600 _NMR_spectrometer.Entry_ID 6254 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_DMX_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX_800 _NMR_spectrometer.Entry_ID 6254 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6254 _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 Bruker_DMX_500 Bruker DMX . 500 . . . 6254 1 2 Bruker_DMX_600 Bruker DMX . 600 . . . 6254 1 3 Bruker_DMX_800 Bruker DMX . 800 . . . 6254 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 6254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 2D-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 2 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 3 HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 4 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 5 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6254 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 2D-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6254 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6254 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS protons . . . . ppm 0 internal direct . . . . . . . . . . 6254 1 C 13 DSS carbon . . . . ppm 0 internal indirect . . . . . . . . . . 6254 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect . . . . . . . . . . 6254 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6254 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D-TOCSY 1 $sample_1 . 6254 1 2 HCCH-TOCSY 1 $sample_1 . 6254 1 3 HSQC 1 $sample_1 . 6254 1 4 HNCA 1 $sample_1 . 6254 1 5 HNCO 1 $sample_1 . 6254 1 6 CBCA(CO)NH 1 $sample_1 . 6254 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 4.746 0.01 . 1 . . . . . . . . 6254 1 2 . 1 1 1 1 MET HB2 H 1 2.133 0.01 . 2 . . . . . . . . 6254 1 3 . 1 1 1 1 MET HB3 H 1 1.614 0.01 . 2 . . . . . . . . 6254 1 4 . 1 1 1 1 MET HG2 H 1 2.56 0.01 . 2 . . . . . . . . 6254 1 5 . 1 1 1 1 MET HG3 H 1 2.228 0.01 . 2 . . . . . . . . 6254 1 6 . 1 1 1 1 MET HE1 H 1 2.061 0.01 . 1 . . . . . . . . 6254 1 7 . 1 1 1 1 MET HE2 H 1 2.061 0.01 . 1 . . . . . . . . 6254 1 8 . 1 1 1 1 MET HE3 H 1 2.061 0.01 . 1 . . . . . . . . 6254 1 9 . 1 1 1 1 MET C C 13 172.4 0.05 . 1 . . . . . . . . 6254 1 10 . 1 1 1 1 MET CA C 13 54.95 0.05 . 1 . . . . . . . . 6254 1 11 . 1 1 1 1 MET CB C 13 33.78 0.05 . 1 . . . . . . . . 6254 1 12 . 1 1 2 2 GLU H H 1 9.367 0.01 . 1 . . . . . . . . 6254 1 13 . 1 1 2 2 GLU HA H 1 4.769 0.01 . 1 . . . . . . . . 6254 1 14 . 1 1 2 2 GLU HB2 H 1 1.615 0.01 . 2 . . . . . . . . 6254 1 15 . 1 1 2 2 GLU HB3 H 1 2.104 0.01 . 2 . . . . . . . . 6254 1 16 . 1 1 2 2 GLU HG2 H 1 2.331 0.01 . 2 . . . . . . . . 6254 1 17 . 1 1 2 2 GLU HG3 H 1 2.574 0.01 . 2 . . . . . . . . 6254 1 18 . 1 1 2 2 GLU C C 13 173.94 0.05 . 1 . . . . . . . . 6254 1 19 . 1 1 2 2 GLU CA C 13 54.7 0.05 . 1 . . . . . . . . 6254 1 20 . 1 1 2 2 GLU CB C 13 34.32 0.05 . 1 . . . . . . . . 6254 1 21 . 1 1 2 2 GLU N N 15 127.56 0.05 . 1 . . . . . . . . 6254 1 22 . 1 1 3 3 GLN H H 1 8.785 0.01 . 1 . . . . . . . . 6254 1 23 . 1 1 3 3 GLN HA H 1 5.722 0.01 . 1 . . . . . . . . 6254 1 24 . 1 1 3 3 GLN HB2 H 1 1.883 0.01 . 2 . . . . . . . . 6254 1 25 . 1 1 3 3 GLN HB3 H 1 1.48 0.01 . 2 . . . . . . . . 6254 1 26 . 1 1 3 3 GLN HG2 H 1 2.041 0.01 . 1 . . . . . . . . 6254 1 27 . 1 1 3 3 GLN HG3 H 1 2.041 0.01 . 1 . . . . . . . . 6254 1 28 . 1 1 3 3 GLN HE21 H 1 7.44 0.01 . 2 . . . . . . . . 6254 1 29 . 1 1 3 3 GLN HE22 H 1 6.793 0.01 . 2 . . . . . . . . 6254 1 30 . 1 1 3 3 GLN C C 13 174.23 0.05 . 1 . . . . . . . . 6254 1 31 . 1 1 3 3 GLN CA C 13 53.4 0.05 . 1 . . . . . . . . 6254 1 32 . 1 1 3 3 GLN CB C 13 34.69 0.05 . 1 . . . . . . . . 6254 1 33 . 1 1 3 3 GLN N N 15 118.74 0.05 . 1 . . . . . . . . 6254 1 34 . 1 1 3 3 GLN NE2 N 15 111.64 0.05 . 1 . . . . . . . . 6254 1 35 . 1 1 4 4 GLN H H 1 8.59 0.01 . 1 . . . . . . . . 6254 1 36 . 1 1 4 4 GLN HA H 1 4.321 0.01 . 1 . . . . . . . . 6254 1 37 . 1 1 4 4 GLN HB2 H 1 1.685 0.01 . 2 . . . . . . . . 6254 1 38 . 1 1 4 4 GLN HB3 H 1 1.929 0.01 . 2 . . . . . . . . 6254 1 39 . 1 1 4 4 GLN HG2 H 1 1.96 0.01 . 2 . . . . . . . . 6254 1 40 . 1 1 4 4 GLN HG3 H 1 2.599 0.01 . 2 . . . . . . . . 6254 1 41 . 1 1 4 4 GLN HE21 H 1 7.453 0.01 . 2 . . . . . . . . 6254 1 42 . 1 1 4 4 GLN HE22 H 1 6.688 0.01 . 2 . . . . . . . . 6254 1 43 . 1 1 4 4 GLN C C 13 173 0.05 . 1 . . . . . . . . 6254 1 44 . 1 1 4 4 GLN CA C 13 55.43 0.05 . 1 . . . . . . . . 6254 1 45 . 1 1 4 4 GLN CB C 13 32.88 0.05 . 1 . . . . . . . . 6254 1 46 . 1 1 4 4 GLN N N 15 121.6 0.05 . 1 . . . . . . . . 6254 1 47 . 1 1 4 4 GLN NE2 N 15 112.85 0.05 . 1 . . . . . . . . 6254 1 48 . 1 1 5 5 SER H H 1 8.218 0.01 . 1 . . . . . . . . 6254 1 49 . 1 1 5 5 SER HA H 1 5.638 0.01 . 1 . . . . . . . . 6254 1 50 . 1 1 5 5 SER HB2 H 1 3.962 0.01 . 2 . . . . . . . . 6254 1 51 . 1 1 5 5 SER HB3 H 1 3.538 0.01 . 2 . . . . . . . . 6254 1 52 . 1 1 5 5 SER C C 13 172.744 0.05 . 1 . . . . . . . . 6254 1 53 . 1 1 5 5 SER CA C 13 57.549 0.05 . 1 . . . . . . . . 6254 1 54 . 1 1 5 5 SER CB C 13 65.121 0.05 . 1 . . . . . . . . 6254 1 55 . 1 1 5 5 SER N N 15 120.64 0.05 . 1 . . . . . . . . 6254 1 56 . 1 1 6 6 TYR H H 1 9.013 0.01 . 1 . . . . . . . . 6254 1 57 . 1 1 6 6 TYR HA H 1 4.871 0.01 . 1 . . . . . . . . 6254 1 58 . 1 1 6 6 TYR HB2 H 1 2.958 0.01 . 2 . . . . . . . . 6254 1 59 . 1 1 6 6 TYR HB3 H 1 2.313 0.01 . 2 . . . . . . . . 6254 1 60 . 1 1 6 6 TYR HD1 H 1 6.863 0.01 . 1 . . . . . . . . 6254 1 61 . 1 1 6 6 TYR HD2 H 1 6.863 0.01 . 1 . . . . . . . . 6254 1 62 . 1 1 6 6 TYR HE1 H 1 6.562 0.01 . 1 . . . . . . . . 6254 1 63 . 1 1 6 6 TYR HE2 H 1 6.562 0.01 . 1 . . . . . . . . 6254 1 64 . 1 1 6 6 TYR C C 13 174.796 0.05 . 1 . . . . . . . . 6254 1 65 . 1 1 6 6 TYR CA C 13 56.417 0.05 . 1 . . . . . . . . 6254 1 66 . 1 1 6 6 TYR CB C 13 42.92 0.05 . 1 . . . . . . . . 6254 1 67 . 1 1 6 6 TYR N N 15 119.477 0.05 . 1 . . . . . . . . 6254 1 68 . 1 1 7 7 THR H H 1 8.591 0.01 . 1 . . . . . . . . 6254 1 69 . 1 1 7 7 THR HA H 1 5.167 0.01 . 1 . . . . . . . . 6254 1 70 . 1 1 7 7 THR HB H 1 3.903 0.01 . 1 . . . . . . . . 6254 1 71 . 1 1 7 7 THR HG21 H 1 1.084 0.01 . 1 . . . . . . . . 6254 1 72 . 1 1 7 7 THR HG22 H 1 1.084 0.01 . 1 . . . . . . . . 6254 1 73 . 1 1 7 7 THR HG23 H 1 1.084 0.01 . 1 . . . . . . . . 6254 1 74 . 1 1 7 7 THR C C 13 174.169 0.05 . 1 . . . . . . . . 6254 1 75 . 1 1 7 7 THR CA C 13 61.695 0.05 . 1 . . . . . . . . 6254 1 76 . 1 1 7 7 THR CB C 13 69.929 0.05 . 1 . . . . . . . . 6254 1 77 . 1 1 7 7 THR CG2 C 13 20.7 0.05 . 1 . . . . . . . . 6254 1 78 . 1 1 7 7 THR N N 15 118.447 0.05 . 1 . . . . . . . . 6254 1 79 . 1 1 8 8 ILE H H 1 9.06 0.01 . 1 . . . . . . . . 6254 1 80 . 1 1 8 8 ILE HA H 1 4.668 0.01 . 1 . . . . . . . . 6254 1 81 . 1 1 8 8 ILE HB H 1 2.282 0.01 . 1 . . . . . . . . 6254 1 82 . 1 1 8 8 ILE HG12 H 1 1.542 0.01 . 2 . . . . . . . . 6254 1 83 . 1 1 8 8 ILE HG13 H 1 1.145 0.01 . 2 . . . . . . . . 6254 1 84 . 1 1 8 8 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 85 . 1 1 8 8 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 86 . 1 1 8 8 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 87 . 1 1 8 8 ILE HD11 H 1 0.544 0.01 . 1 . . . . . . . . 6254 1 88 . 1 1 8 8 ILE HD12 H 1 0.544 0.01 . 1 . . . . . . . . 6254 1 89 . 1 1 8 8 ILE HD13 H 1 0.544 0.01 . 1 . . . . . . . . 6254 1 90 . 1 1 8 8 ILE C C 13 177.377 0.05 . 1 . . . . . . . . 6254 1 91 . 1 1 8 8 ILE CA C 13 58.011 0.05 . 1 . . . . . . . . 6254 1 92 . 1 1 8 8 ILE CB C 13 36.258 0.05 . 1 . . . . . . . . 6254 1 93 . 1 1 8 8 ILE CD1 C 13 8.3 0.05 . 1 . . . . . . . . 6254 1 94 . 1 1 8 8 ILE N N 15 128.218 0.05 . 1 . . . . . . . . 6254 1 95 . 1 1 9 9 ILE H H 1 8.658 0.01 . 1 . . . . . . . . 6254 1 96 . 1 1 9 9 ILE HA H 1 4.622 0.01 . 1 . . . . . . . . 6254 1 97 . 1 1 9 9 ILE HB H 1 2.118 0.01 . 1 . . . . . . . . 6254 1 98 . 1 1 9 9 ILE HG12 H 1 1.255 0.01 . 2 . . . . . . . . 6254 1 99 . 1 1 9 9 ILE HG13 H 1 0.944 0.01 . 2 . . . . . . . . 6254 1 100 . 1 1 9 9 ILE HG21 H 1 0.872 0.01 . 1 . . . . . . . . 6254 1 101 . 1 1 9 9 ILE HG22 H 1 0.872 0.01 . 1 . . . . . . . . 6254 1 102 . 1 1 9 9 ILE HG23 H 1 0.872 0.01 . 1 . . . . . . . . 6254 1 103 . 1 1 9 9 ILE HD11 H 1 0.742 0.01 . 1 . . . . . . . . 6254 1 104 . 1 1 9 9 ILE HD12 H 1 0.742 0.01 . 1 . . . . . . . . 6254 1 105 . 1 1 9 9 ILE HD13 H 1 0.742 0.01 . 1 . . . . . . . . 6254 1 106 . 1 1 9 9 ILE C C 13 175.48 0.05 . 1 . . . . . . . . 6254 1 107 . 1 1 9 9 ILE CA C 13 60.787 0.05 . 1 . . . . . . . . 6254 1 108 . 1 1 9 9 ILE CB C 13 39.467 0.05 . 1 . . . . . . . . 6254 1 109 . 1 1 9 9 ILE CG1 C 13 17.9 0.05 . 1 . . . . . . . . 6254 1 110 . 1 1 9 9 ILE N N 15 121.639 0.05 . 1 . . . . . . . . 6254 1 111 . 1 1 10 10 ASP H H 1 7.322 0.01 . 1 . . . . . . . . 6254 1 112 . 1 1 10 10 ASP HA H 1 4.652 0.01 . 1 . . . . . . . . 6254 1 113 . 1 1 10 10 ASP HB2 H 1 2.674 0.01 . 2 . . . . . . . . 6254 1 114 . 1 1 10 10 ASP HB3 H 1 2.641 0.01 . 2 . . . . . . . . 6254 1 115 . 1 1 10 10 ASP C C 13 175.107 0.05 . 1 . . . . . . . . 6254 1 116 . 1 1 10 10 ASP CA C 13 53.697 0.05 . 1 . . . . . . . . 6254 1 117 . 1 1 10 10 ASP CB C 13 43.951 0.05 . 1 . . . . . . . . 6254 1 118 . 1 1 10 10 ASP N N 15 121.669 0.05 . 1 . . . . . . . . 6254 1 119 . 1 1 11 11 GLU H H 1 8.929 0.01 . 1 . . . . . . . . 6254 1 120 . 1 1 11 11 GLU HA H 1 4.768 0.01 . 1 . . . . . . . . 6254 1 121 . 1 1 11 11 GLU HB2 H 1 1.953 0.01 . 2 . . . . . . . . 6254 1 122 . 1 1 11 11 GLU HB3 H 1 2.069 0.01 . 2 . . . . . . . . 6254 1 123 . 1 1 11 11 GLU HG2 H 1 2.304 0.01 . 1 . . . . . . . . 6254 1 124 . 1 1 11 11 GLU HG3 H 1 2.304 0.01 . 1 . . . . . . . . 6254 1 125 . 1 1 11 11 GLU C C 13 177.159 0.05 . 1 . . . . . . . . 6254 1 126 . 1 1 11 11 GLU CA C 13 57.021 0.05 . 1 . . . . . . . . 6254 1 127 . 1 1 11 11 GLU CB C 13 30.939 0.05 . 1 . . . . . . . . 6254 1 128 . 1 1 11 11 GLU N N 15 122.27 0.05 . 1 . . . . . . . . 6254 1 129 . 1 1 12 12 THR H H 1 8.466 0.01 . 1 . . . . . . . . 6254 1 130 . 1 1 12 12 THR HA H 1 4.519 0.01 . 1 . . . . . . . . 6254 1 131 . 1 1 12 12 THR HB H 1 3.962 0.01 . 1 . . . . . . . . 6254 1 132 . 1 1 12 12 THR HG21 H 1 1.233 0.01 . 1 . . . . . . . . 6254 1 133 . 1 1 12 12 THR HG22 H 1 1.233 0.01 . 1 . . . . . . . . 6254 1 134 . 1 1 12 12 THR HG23 H 1 1.233 0.01 . 1 . . . . . . . . 6254 1 135 . 1 1 12 12 THR C C 13 175.754 0.05 . 1 . . . . . . . . 6254 1 136 . 1 1 12 12 THR CA C 13 62.986 0.05 . 1 . . . . . . . . 6254 1 137 . 1 1 12 12 THR CB C 13 69.465 0.05 . 1 . . . . . . . . 6254 1 138 . 1 1 12 12 THR N N 15 113.4 0.05 . 1 . . . . . . . . 6254 1 139 . 1 1 13 13 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 6254 1 140 . 1 1 13 13 GLY HA2 H 1 3.804 0.01 . 1 . . . . . . . . 6254 1 141 . 1 1 13 13 GLY HA3 H 1 3.804 0.01 . 1 . . . . . . . . 6254 1 142 . 1 1 13 13 GLY C C 13 176.34 0.05 . 1 . . . . . . . . 6254 1 143 . 1 1 13 13 GLY CA C 13 45.675 0.05 . 1 . . . . . . . . 6254 1 144 . 1 1 13 13 GLY N N 15 110.275 0.05 . 1 . . . . . . . . 6254 1 145 . 1 1 14 14 ALA H H 1 8.04 0.01 . 1 . . . . . . . . 6254 1 146 . 1 1 14 14 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 6254 1 147 . 1 1 14 14 ALA HB1 H 1 1.255 0.01 . 1 . . . . . . . . 6254 1 148 . 1 1 14 14 ALA HB2 H 1 1.255 0.01 . 1 . . . . . . . . 6254 1 149 . 1 1 14 14 ALA HB3 H 1 1.255 0.01 . 1 . . . . . . . . 6254 1 150 . 1 1 14 14 ALA C C 13 177.899 0.05 . 1 . . . . . . . . 6254 1 151 . 1 1 14 14 ALA CA C 13 52.534 0.05 . 1 . . . . . . . . 6254 1 152 . 1 1 14 14 ALA CB C 13 19.579 0.05 . 1 . . . . . . . . 6254 1 153 . 1 1 14 14 ALA N N 15 122.962 0.05 . 1 . . . . . . . . 6254 1 154 . 1 1 15 15 HIS H H 1 8.158 0.01 . 1 . . . . . . . . 6254 1 155 . 1 1 15 15 HIS HA H 1 4.408 0.01 . 1 . . . . . . . . 6254 1 156 . 1 1 15 15 HIS HB2 H 1 3.264 0.01 . 2 . . . . . . . . 6254 1 157 . 1 1 15 15 HIS HB3 H 1 3.196 0.01 . 2 . . . . . . . . 6254 1 158 . 1 1 15 15 HIS HD1 H 1 7.21 0.01 . 1 . . . . . . . . 6254 1 159 . 1 1 15 15 HIS HE1 H 1 8.615 0.01 . 1 . . . . . . . . 6254 1 160 . 1 1 15 15 HIS C C 13 176.416 0.05 . 1 . . . . . . . . 6254 1 161 . 1 1 15 15 HIS CA C 13 55.949 0.05 . 1 . . . . . . . . 6254 1 162 . 1 1 15 15 HIS CB C 13 30.934 0.05 . 1 . . . . . . . . 6254 1 163 . 1 1 15 15 HIS N N 15 120.326 0.05 . 1 . . . . . . . . 6254 1 164 . 1 1 16 16 ALA H H 1 8.078 0.01 . 1 . . . . . . . . 6254 1 165 . 1 1 16 16 ALA HA H 1 4.365 0.01 . 1 . . . . . . . . 6254 1 166 . 1 1 16 16 ALA HB1 H 1 1.431 0.01 . 1 . . . . . . . . 6254 1 167 . 1 1 16 16 ALA HB2 H 1 1.431 0.01 . 1 . . . . . . . . 6254 1 168 . 1 1 16 16 ALA HB3 H 1 1.431 0.01 . 1 . . . . . . . . 6254 1 169 . 1 1 16 16 ALA C C 13 177.942 0.05 . 1 . . . . . . . . 6254 1 170 . 1 1 16 16 ALA CA C 13 53.46 0.05 . 1 . . . . . . . . 6254 1 171 . 1 1 16 16 ALA CB C 13 19.639 0.05 . 1 . . . . . . . . 6254 1 172 . 1 1 16 16 ALA N N 15 119.887 0.05 . 1 . . . . . . . . 6254 1 173 . 1 1 17 17 ARG H H 1 8.648 0.01 . 1 . . . . . . . . 6254 1 174 . 1 1 17 17 ARG HA H 1 4.139 0.01 . 1 . . . . . . . . 6254 1 175 . 1 1 17 17 ARG HB2 H 1 2.442 0.01 . 1 . . . . . . . . 6254 1 176 . 1 1 17 17 ARG CA C 13 59.02 0.05 . 1 . . . . . . . . 6254 1 177 . 1 1 17 17 ARG N N 15 119.883 0.05 . 1 . . . . . . . . 6254 1 178 . 1 1 18 18 PRO HA H 1 4.135 0.01 . 1 . . . . . . . . 6254 1 179 . 1 1 18 18 PRO HB2 H 1 2.147 0.01 . 2 . . . . . . . . 6254 1 180 . 1 1 18 18 PRO HB3 H 1 1.739 0.01 . 2 . . . . . . . . 6254 1 181 . 1 1 18 18 PRO HG2 H 1 2.033 0.01 . 1 . . . . . . . . 6254 1 182 . 1 1 18 18 PRO HD2 H 1 4.052 0.01 . 2 . . . . . . . . 6254 1 183 . 1 1 18 18 PRO HD3 H 1 3.692 0.01 . 2 . . . . . . . . 6254 1 184 . 1 1 18 18 PRO C C 13 177.921 0.05 . 1 . . . . . . . . 6254 1 185 . 1 1 18 18 PRO CA C 13 66.056 0.05 . 1 . . . . . . . . 6254 1 186 . 1 1 18 18 PRO CB C 13 31.651 0.05 . 1 . . . . . . . . 6254 1 187 . 1 1 19 19 ALA H H 1 7.987 0.01 . 1 . . . . . . . . 6254 1 188 . 1 1 19 19 ALA HA H 1 3.858 0.01 . 1 . . . . . . . . 6254 1 189 . 1 1 19 19 ALA HB1 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 190 . 1 1 19 19 ALA HB2 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 191 . 1 1 19 19 ALA HB3 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 192 . 1 1 19 19 ALA C C 13 178.643 0.05 . 1 . . . . . . . . 6254 1 193 . 1 1 19 19 ALA CA C 13 55.425 0.05 . 1 . . . . . . . . 6254 1 194 . 1 1 19 19 ALA CB C 13 19.445 0.05 . 1 . . . . . . . . 6254 1 195 . 1 1 19 19 ALA N N 15 118.242 0.05 . 1 . . . . . . . . 6254 1 196 . 1 1 20 20 THR H H 1 7.842 0.01 . 1 . . . . . . . . 6254 1 197 . 1 1 20 20 THR HA H 1 3.814 0.01 . 1 . . . . . . . . 6254 1 198 . 1 1 20 20 THR HB H 1 4.319 0.01 . 1 . . . . . . . . 6254 1 199 . 1 1 20 20 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 6254 1 200 . 1 1 20 20 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 6254 1 201 . 1 1 20 20 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 6254 1 202 . 1 1 20 20 THR C C 13 176.867 0.05 . 1 . . . . . . . . 6254 1 203 . 1 1 20 20 THR CA C 13 66.638 0.05 . 1 . . . . . . . . 6254 1 204 . 1 1 20 20 THR CB C 13 68.442 0.05 . 1 . . . . . . . . 6254 1 205 . 1 1 20 20 THR N N 15 112.21 0.05 . 1 . . . . . . . . 6254 1 206 . 1 1 21 21 MET H H 1 8.037 0.01 . 1 . . . . . . . . 6254 1 207 . 1 1 21 21 MET HA H 1 4.365 0.01 . 1 . . . . . . . . 6254 1 208 . 1 1 21 21 MET HB2 H 1 2.11 0.01 . 1 . . . . . . . . 6254 1 209 . 1 1 21 21 MET HB3 H 1 1.914 0.01 . 1 . . . . . . . . 6254 1 210 . 1 1 21 21 MET HG2 H 1 2.539 0.01 . 2 . . . . . . . . 6254 1 211 . 1 1 21 21 MET HG3 H 1 2.484 0.01 . 2 . . . . . . . . 6254 1 212 . 1 1 21 21 MET HE1 H 1 2.096 0.01 . 1 . . . . . . . . 6254 1 213 . 1 1 21 21 MET HE2 H 1 2.096 0.01 . 1 . . . . . . . . 6254 1 214 . 1 1 21 21 MET HE3 H 1 2.096 0.01 . 1 . . . . . . . . 6254 1 215 . 1 1 21 21 MET C C 13 179.583 0.05 . 1 . . . . . . . . 6254 1 216 . 1 1 21 21 MET CA C 13 57.276 0.05 . 1 . . . . . . . . 6254 1 217 . 1 1 21 21 MET CB C 13 31.936 0.05 . 1 . . . . . . . . 6254 1 218 . 1 1 21 21 MET N N 15 120.3 0.05 . 1 . . . . . . . . 6254 1 219 . 1 1 22 22 LEU H H 1 8.257 0.01 . 1 . . . . . . . . 6254 1 220 . 1 1 22 22 LEU HA H 1 3.961 0.01 . 1 . . . . . . . . 6254 1 221 . 1 1 22 22 LEU HB2 H 1 2.143 0.01 . 2 . . . . . . . . 6254 1 222 . 1 1 22 22 LEU HB3 H 1 1.755 0.01 . 2 . . . . . . . . 6254 1 223 . 1 1 22 22 LEU HG H 1 1.628 0.01 . 1 . . . . . . . . 6254 1 224 . 1 1 22 22 LEU HD11 H 1 0.879 0.01 . 1 . . . . . . . . 6254 1 225 . 1 1 22 22 LEU HD12 H 1 0.879 0.01 . 1 . . . . . . . . 6254 1 226 . 1 1 22 22 LEU HD13 H 1 0.879 0.01 . 1 . . . . . . . . 6254 1 227 . 1 1 22 22 LEU HD21 H 1 0.704 0.01 . 1 . . . . . . . . 6254 1 228 . 1 1 22 22 LEU HD22 H 1 0.704 0.01 . 1 . . . . . . . . 6254 1 229 . 1 1 22 22 LEU HD23 H 1 0.704 0.01 . 1 . . . . . . . . 6254 1 230 . 1 1 22 22 LEU C C 13 178.075 0.05 . 1 . . . . . . . . 6254 1 231 . 1 1 22 22 LEU CA C 13 58.434 0.05 . 1 . . . . . . . . 6254 1 232 . 1 1 22 22 LEU CB C 13 42.434 0.05 . 1 . . . . . . . . 6254 1 233 . 1 1 22 22 LEU N N 15 123.278 0.05 . 1 . . . . . . . . 6254 1 234 . 1 1 23 23 VAL H H 1 8.043 0.01 . 1 . . . . . . . . 6254 1 235 . 1 1 23 23 VAL HA H 1 4.141 0.01 . 1 . . . . . . . . 6254 1 236 . 1 1 23 23 VAL HB H 1 2.094 0.01 . 1 . . . . . . . . 6254 1 237 . 1 1 23 23 VAL HG11 H 1 1.101 0.01 . 1 . . . . . . . . 6254 1 238 . 1 1 23 23 VAL HG12 H 1 1.101 0.01 . 1 . . . . . . . . 6254 1 239 . 1 1 23 23 VAL HG13 H 1 1.101 0.01 . 1 . . . . . . . . 6254 1 240 . 1 1 23 23 VAL HG21 H 1 0.881 0.01 . 1 . . . . . . . . 6254 1 241 . 1 1 23 23 VAL HG22 H 1 0.881 0.01 . 1 . . . . . . . . 6254 1 242 . 1 1 23 23 VAL HG23 H 1 0.881 0.01 . 1 . . . . . . . . 6254 1 243 . 1 1 23 23 VAL C C 13 179.912 0.05 . 1 . . . . . . . . 6254 1 244 . 1 1 23 23 VAL CA C 13 65.333 0.05 . 1 . . . . . . . . 6254 1 245 . 1 1 23 23 VAL CB C 13 32.442 0.05 . 1 . . . . . . . . 6254 1 246 . 1 1 23 23 VAL N N 15 120.261 0.05 . 1 . . . . . . . . 6254 1 247 . 1 1 24 24 GLN H H 1 8.499 0.01 . 1 . . . . . . . . 6254 1 248 . 1 1 24 24 GLN HA H 1 4.043 0.01 . 1 . . . . . . . . 6254 1 249 . 1 1 24 24 GLN HB2 H 1 2.247 0.01 . 2 . . . . . . . . 6254 1 250 . 1 1 24 24 GLN HB3 H 1 2.14 0.01 . 2 . . . . . . . . 6254 1 251 . 1 1 24 24 GLN HG2 H 1 2.547 0.01 . 2 . . . . . . . . 6254 1 252 . 1 1 24 24 GLN HG3 H 1 2.407 0.01 . 2 . . . . . . . . 6254 1 253 . 1 1 24 24 GLN HE21 H 1 7.437 0.01 . 2 . . . . . . . . 6254 1 254 . 1 1 24 24 GLN HE22 H 1 6.812 0.01 . 2 . . . . . . . . 6254 1 255 . 1 1 24 24 GLN C C 13 179.016 0.05 . 1 . . . . . . . . 6254 1 256 . 1 1 24 24 GLN CA C 13 59.129 0.05 . 1 . . . . . . . . 6254 1 257 . 1 1 24 24 GLN CB C 13 28.952 0.05 . 1 . . . . . . . . 6254 1 258 . 1 1 24 24 GLN N N 15 120.111 0.05 . 1 . . . . . . . . 6254 1 259 . 1 1 24 24 GLN NE2 N 15 111.022 0.05 . 1 . . . . . . . . 6254 1 260 . 1 1 25 25 THR H H 1 7.865 0.01 . 1 . . . . . . . . 6254 1 261 . 1 1 25 25 THR HA H 1 4.335 0.01 . 1 . . . . . . . . 6254 1 262 . 1 1 25 25 THR HB H 1 3.946 0.01 . 1 . . . . . . . . 6254 1 263 . 1 1 25 25 THR HG21 H 1 1.256 0.01 . 1 . . . . . . . . 6254 1 264 . 1 1 25 25 THR HG22 H 1 1.256 0.01 . 1 . . . . . . . . 6254 1 265 . 1 1 25 25 THR HG23 H 1 1.256 0.01 . 1 . . . . . . . . 6254 1 266 . 1 1 25 25 THR C C 13 175.458 0.05 . 1 . . . . . . . . 6254 1 267 . 1 1 25 25 THR CA C 13 67.33 0.05 . 1 . . . . . . . . 6254 1 268 . 1 1 25 25 THR CB C 13 68.459 0.05 . 1 . . . . . . . . 6254 1 269 . 1 1 25 25 THR CG2 C 13 20.7 0.05 . 1 . . . . . . . . 6254 1 270 . 1 1 25 25 THR N N 15 115.958 0.05 . 1 . . . . . . . . 6254 1 271 . 1 1 26 26 ALA H H 1 8.532 0.01 . 1 . . . . . . . . 6254 1 272 . 1 1 26 26 ALA HA H 1 3.998 0.01 . 1 . . . . . . . . 6254 1 273 . 1 1 26 26 ALA HB1 H 1 1.384 0.01 . 1 . . . . . . . . 6254 1 274 . 1 1 26 26 ALA HB2 H 1 1.384 0.01 . 1 . . . . . . . . 6254 1 275 . 1 1 26 26 ALA HB3 H 1 1.384 0.01 . 1 . . . . . . . . 6254 1 276 . 1 1 26 26 ALA C C 13 178.429 0.05 . 1 . . . . . . . . 6254 1 277 . 1 1 26 26 ALA CA C 13 55.404 0.05 . 1 . . . . . . . . 6254 1 278 . 1 1 26 26 ALA CB C 13 19.448 0.05 . 1 . . . . . . . . 6254 1 279 . 1 1 26 26 ALA N N 15 121.999 0.05 . 1 . . . . . . . . 6254 1 280 . 1 1 27 27 SER H H 1 8.029 0.01 . 1 . . . . . . . . 6254 1 281 . 1 1 27 27 SER HA H 1 4.13 0.01 . 1 . . . . . . . . 6254 1 282 . 1 1 27 27 SER HB2 H 1 4.072 0.01 . 1 . . . . . . . . 6254 1 283 . 1 1 27 27 SER HB3 H 1 4.072 0.01 . 1 . . . . . . . . 6254 1 284 . 1 1 27 27 SER C C 13 174.093 0.05 . 1 . . . . . . . . 6254 1 285 . 1 1 27 27 SER CA C 13 61.189 0.05 . 1 . . . . . . . . 6254 1 286 . 1 1 27 27 SER CB C 13 63.445 0.05 . 1 . . . . . . . . 6254 1 287 . 1 1 27 27 SER N N 15 107.63 0.05 . 1 . . . . . . . . 6254 1 288 . 1 1 28 28 LYS H H 1 7.38 0.01 . 1 . . . . . . . . 6254 1 289 . 1 1 28 28 LYS HA H 1 4.041 0.01 . 1 . . . . . . . . 6254 1 290 . 1 1 28 28 LYS HB2 H 1 1.673 0.01 . 1 . . . . . . . . 6254 1 291 . 1 1 28 28 LYS HG2 H 1 1.505 0.01 . 2 . . . . . . . . 6254 1 292 . 1 1 28 28 LYS HG3 H 1 1.409 0.01 . 2 . . . . . . . . 6254 1 293 . 1 1 28 28 LYS HD2 H 1 1.289 0.01 . 2 . . . . . . . . 6254 1 294 . 1 1 28 28 LYS HD3 H 1 0.881 0.01 . 2 . . . . . . . . 6254 1 295 . 1 1 28 28 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 6254 1 296 . 1 1 28 28 LYS C C 13 175.882 0.05 . 1 . . . . . . . . 6254 1 297 . 1 1 28 28 LYS CA C 13 57.045 0.05 . 1 . . . . . . . . 6254 1 298 . 1 1 28 28 LYS CB C 13 32.696 0.05 . 1 . . . . . . . . 6254 1 299 . 1 1 28 28 LYS N N 15 119.498 0.05 . 1 . . . . . . . . 6254 1 300 . 1 1 29 29 PHE H H 1 7.473 0.01 . 1 . . . . . . . . 6254 1 301 . 1 1 29 29 PHE HA H 1 4.542 0.01 . 1 . . . . . . . . 6254 1 302 . 1 1 29 29 PHE HB2 H 1 3.456 0.01 . 2 . . . . . . . . 6254 1 303 . 1 1 29 29 PHE HB3 H 1 2.77 0.01 . 2 . . . . . . . . 6254 1 304 . 1 1 29 29 PHE HD1 H 1 7.398 0.01 . 1 . . . . . . . . 6254 1 305 . 1 1 29 29 PHE HD2 H 1 7.398 0.01 . 1 . . . . . . . . 6254 1 306 . 1 1 29 29 PHE HE1 H 1 7.195 0.01 . 1 . . . . . . . . 6254 1 307 . 1 1 29 29 PHE HE2 H 1 7.195 0.01 . 1 . . . . . . . . 6254 1 308 . 1 1 29 29 PHE HZ H 1 7.109 0.01 . 1 . . . . . . . . 6254 1 309 . 1 1 29 29 PHE C C 13 174.698 0.05 . 1 . . . . . . . . 6254 1 310 . 1 1 29 29 PHE CA C 13 58.414 0.05 . 1 . . . . . . . . 6254 1 311 . 1 1 29 29 PHE CB C 13 40.903 0.05 . 1 . . . . . . . . 6254 1 312 . 1 1 29 29 PHE N N 15 117.94 0.05 . 1 . . . . . . . . 6254 1 313 . 1 1 30 30 ASP H H 1 11.388 0.01 . 1 . . . . . . . . 6254 1 314 . 1 1 30 30 ASP HA H 1 4.525 0.01 . 1 . . . . . . . . 6254 1 315 . 1 1 30 30 ASP HB2 H 1 2.683 0.01 . 2 . . . . . . . . 6254 1 316 . 1 1 30 30 ASP HB3 H 1 2.635 0.01 . 2 . . . . . . . . 6254 1 317 . 1 1 30 30 ASP C C 13 178.744 0.05 . 1 . . . . . . . . 6254 1 318 . 1 1 30 30 ASP CA C 13 56.099 0.05 . 1 . . . . . . . . 6254 1 319 . 1 1 30 30 ASP CB C 13 42.174 0.05 . 1 . . . . . . . . 6254 1 320 . 1 1 30 30 ASP N N 15 125.701 0.05 . 1 . . . . . . . . 6254 1 321 . 1 1 31 31 SER H H 1 9.222 0.01 . 1 . . . . . . . . 6254 1 322 . 1 1 31 31 SER HA H 1 4.318 0.01 . 1 . . . . . . . . 6254 1 323 . 1 1 31 31 SER HB2 H 1 3.503 0.01 . 2 . . . . . . . . 6254 1 324 . 1 1 31 31 SER HB3 H 1 3.308 0.01 . 2 . . . . . . . . 6254 1 325 . 1 1 31 31 SER HG H 1 5.641 0.01 . 1 . . . . . . . . 6254 1 326 . 1 1 31 31 SER C C 13 172.451 0.05 . 1 . . . . . . . . 6254 1 327 . 1 1 31 31 SER CA C 13 61.427 0.05 . 1 . . . . . . . . 6254 1 328 . 1 1 31 31 SER CB C 13 65.464 0.05 . 1 . . . . . . . . 6254 1 329 . 1 1 31 31 SER N N 15 116.784 0.05 . 1 . . . . . . . . 6254 1 330 . 1 1 32 32 ASP H H 1 8.198 0.01 . 1 . . . . . . . . 6254 1 331 . 1 1 32 32 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 6254 1 332 . 1 1 32 32 ASP HB2 H 1 2.815 0.01 . 1 . . . . . . . . 6254 1 333 . 1 1 32 32 ASP HB3 H 1 2.815 0.01 . 1 . . . . . . . . 6254 1 334 . 1 1 32 32 ASP C C 13 176.671 0.05 . 1 . . . . . . . . 6254 1 335 . 1 1 32 32 ASP CA C 13 54.078 0.05 . 1 . . . . . . . . 6254 1 336 . 1 1 32 32 ASP CB C 13 42.441 0.05 . 1 . . . . . . . . 6254 1 337 . 1 1 32 32 ASP N N 15 122.631 0.05 . 1 . . . . . . . . 6254 1 338 . 1 1 33 33 ILE H H 1 9.252 0.01 . 1 . . . . . . . . 6254 1 339 . 1 1 33 33 ILE HA H 1 5.445 0.01 . 1 . . . . . . . . 6254 1 340 . 1 1 33 33 ILE HB H 1 1.49 0.01 . 1 . . . . . . . . 6254 1 341 . 1 1 33 33 ILE HG12 H 1 1.704 0.01 . 1 . . . . . . . . 6254 1 342 . 1 1 33 33 ILE HG21 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 343 . 1 1 33 33 ILE HG22 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 344 . 1 1 33 33 ILE HG23 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 345 . 1 1 33 33 ILE HD11 H 1 0.632 0.01 . 1 . . . . . . . . 6254 1 346 . 1 1 33 33 ILE HD12 H 1 0.632 0.01 . 1 . . . . . . . . 6254 1 347 . 1 1 33 33 ILE HD13 H 1 0.632 0.01 . 1 . . . . . . . . 6254 1 348 . 1 1 33 33 ILE C C 13 174.835 0.05 . 1 . . . . . . . . 6254 1 349 . 1 1 33 33 ILE CA C 13 60.168 0.05 . 1 . . . . . . . . 6254 1 350 . 1 1 33 33 ILE CB C 13 40.917 0.05 . 1 . . . . . . . . 6254 1 351 . 1 1 33 33 ILE CG1 C 13 26.3 0.05 . 1 . . . . . . . . 6254 1 352 . 1 1 33 33 ILE N N 15 128.455 0.05 . 1 . . . . . . . . 6254 1 353 . 1 1 34 34 GLN H H 1 9.157 0.01 . 1 . . . . . . . . 6254 1 354 . 1 1 34 34 GLN HA H 1 5.367 0.01 . 1 . . . . . . . . 6254 1 355 . 1 1 34 34 GLN HB2 H 1 2.055 0.01 . 2 . . . . . . . . 6254 1 356 . 1 1 34 34 GLN HB3 H 1 1.798 0.01 . 2 . . . . . . . . 6254 1 357 . 1 1 34 34 GLN HG2 H 1 2.336 0.01 . 2 . . . . . . . . 6254 1 358 . 1 1 34 34 GLN HG3 H 1 2.159 0.01 . 2 . . . . . . . . 6254 1 359 . 1 1 34 34 GLN HE21 H 1 7.93 0.01 . 2 . . . . . . . . 6254 1 360 . 1 1 34 34 GLN HE22 H 1 6.387 0.01 . 2 . . . . . . . . 6254 1 361 . 1 1 34 34 GLN C C 13 173.827 0.05 . 1 . . . . . . . . 6254 1 362 . 1 1 34 34 GLN CA C 13 53.812 0.05 . 1 . . . . . . . . 6254 1 363 . 1 1 34 34 GLN CB C 13 33.899 0.05 . 1 . . . . . . . . 6254 1 364 . 1 1 34 34 GLN N N 15 125.068 0.05 . 1 . . . . . . . . 6254 1 365 . 1 1 34 34 GLN NE2 N 15 111.462 0.05 . 1 . . . . . . . . 6254 1 366 . 1 1 35 35 LEU H H 1 9.208 0.01 . 1 . . . . . . . . 6254 1 367 . 1 1 35 35 LEU HA H 1 5.188 0.01 . 1 . . . . . . . . 6254 1 368 . 1 1 35 35 LEU HB2 H 1 2.065 0.01 . 2 . . . . . . . . 6254 1 369 . 1 1 35 35 LEU HB3 H 1 1.616 0.01 . 2 . . . . . . . . 6254 1 370 . 1 1 35 35 LEU HG H 1 1.562 0.01 . 1 . . . . . . . . 6254 1 371 . 1 1 35 35 LEU HD11 H 1 0.857 0.01 . 1 . . . . . . . . 6254 1 372 . 1 1 35 35 LEU HD12 H 1 0.857 0.01 . 1 . . . . . . . . 6254 1 373 . 1 1 35 35 LEU HD13 H 1 0.857 0.01 . 1 . . . . . . . . 6254 1 374 . 1 1 35 35 LEU HD21 H 1 0.822 0.01 . 1 . . . . . . . . 6254 1 375 . 1 1 35 35 LEU HD22 H 1 0.822 0.01 . 1 . . . . . . . . 6254 1 376 . 1 1 35 35 LEU HD23 H 1 0.822 0.01 . 1 . . . . . . . . 6254 1 377 . 1 1 35 35 LEU C C 13 173.389 0.05 . 1 . . . . . . . . 6254 1 378 . 1 1 35 35 LEU CA C 13 53.818 0.05 . 1 . . . . . . . . 6254 1 379 . 1 1 35 35 LEU CB C 13 46.031 0.05 . 1 . . . . . . . . 6254 1 380 . 1 1 35 35 LEU N N 15 124.229 0.05 . 1 . . . . . . . . 6254 1 381 . 1 1 36 36 GLU H H 1 9.929 0.01 . 1 . . . . . . . . 6254 1 382 . 1 1 36 36 GLU HA H 1 5.786 0.01 . 1 . . . . . . . . 6254 1 383 . 1 1 36 36 GLU HB2 H 1 2.444 0.01 . 2 . . . . . . . . 6254 1 384 . 1 1 36 36 GLU HB3 H 1 1.898 0.01 . 2 . . . . . . . . 6254 1 385 . 1 1 36 36 GLU HG2 H 1 2.183 0.01 . 2 . . . . . . . . 6254 1 386 . 1 1 36 36 GLU HG3 H 1 2.011 0.01 . 2 . . . . . . . . 6254 1 387 . 1 1 36 36 GLU C C 13 174.777 0.05 . 1 . . . . . . . . 6254 1 388 . 1 1 36 36 GLU CA C 13 53.974 0.05 . 1 . . . . . . . . 6254 1 389 . 1 1 36 36 GLU CB C 13 35.46 0.05 . 1 . . . . . . . . 6254 1 390 . 1 1 36 36 GLU N N 15 128.501 0.05 . 1 . . . . . . . . 6254 1 391 . 1 1 37 37 TYR H H 1 8.9 0.01 . 1 . . . . . . . . 6254 1 392 . 1 1 37 37 TYR HA H 1 5.128 0.01 . 1 . . . . . . . . 6254 1 393 . 1 1 37 37 TYR HB2 H 1 3.151 0.01 . 2 . . . . . . . . 6254 1 394 . 1 1 37 37 TYR HB3 H 1 2.715 0.01 . 2 . . . . . . . . 6254 1 395 . 1 1 37 37 TYR HD1 H 1 7.259 0.01 . 1 . . . . . . . . 6254 1 396 . 1 1 37 37 TYR HD2 H 1 7.259 0.01 . 1 . . . . . . . . 6254 1 397 . 1 1 37 37 TYR HE1 H 1 6.969 0.01 . 1 . . . . . . . . 6254 1 398 . 1 1 37 37 TYR HE2 H 1 6.969 0.01 . 1 . . . . . . . . 6254 1 399 . 1 1 37 37 TYR C C 13 174.719 0.05 . 1 . . . . . . . . 6254 1 400 . 1 1 37 37 TYR CA C 13 56.106 0.05 . 1 . . . . . . . . 6254 1 401 . 1 1 37 37 TYR CB C 13 42.255 0.05 . 1 . . . . . . . . 6254 1 402 . 1 1 37 37 TYR N N 15 125.72 0.05 . 1 . . . . . . . . 6254 1 403 . 1 1 38 38 ASN H H 1 9.427 0.01 . 1 . . . . . . . . 6254 1 404 . 1 1 38 38 ASN HA H 1 4.173 0.01 . 1 . . . . . . . . 6254 1 405 . 1 1 38 38 ASN HB2 H 1 2.813 0.01 . 2 . . . . . . . . 6254 1 406 . 1 1 38 38 ASN HB3 H 1 1.641 0.01 . 2 . . . . . . . . 6254 1 407 . 1 1 38 38 ASN HD21 H 1 7.168 0.01 . 1 . . . . . . . . 6254 1 408 . 1 1 38 38 ASN HD22 H 1 6.609 0.01 . 1 . . . . . . . . 6254 1 409 . 1 1 38 38 ASN C C 13 175.364 0.05 . 1 . . . . . . . . 6254 1 410 . 1 1 38 38 ASN CA C 13 53.115 0.05 . 1 . . . . . . . . 6254 1 411 . 1 1 38 38 ASN CB C 13 37.096 0.05 . 1 . . . . . . . . 6254 1 412 . 1 1 38 38 ASN N N 15 129.096 0.05 . 1 . . . . . . . . 6254 1 413 . 1 1 38 38 ASN ND2 N 15 110.47 0.05 . 1 . . . . . . . . 6254 1 414 . 1 1 39 39 GLY H H 1 8.8 0.01 . 1 . . . . . . . . 6254 1 415 . 1 1 39 39 GLY HA2 H 1 4.098 0.01 . 2 . . . . . . . . 6254 1 416 . 1 1 39 39 GLY HA3 H 1 3.696 0.01 . 2 . . . . . . . . 6254 1 417 . 1 1 39 39 GLY C C 13 173.749 0.05 . 1 . . . . . . . . 6254 1 418 . 1 1 39 39 GLY CA C 13 45.504 0.05 . 1 . . . . . . . . 6254 1 419 . 1 1 39 39 GLY N N 15 103.418 0.05 . 1 . . . . . . . . 6254 1 420 . 1 1 40 40 LYS H H 1 7.825 0.01 . 1 . . . . . . . . 6254 1 421 . 1 1 40 40 LYS HA H 1 4.635 0.01 . 1 . . . . . . . . 6254 1 422 . 1 1 40 40 LYS HB2 H 1 1.881 0.01 . 2 . . . . . . . . 6254 1 423 . 1 1 40 40 LYS HB3 H 1 1.737 0.01 . 2 . . . . . . . . 6254 1 424 . 1 1 40 40 LYS HG2 H 1 1.472 0.01 . 2 . . . . . . . . 6254 1 425 . 1 1 40 40 LYS HG3 H 1 1.35 0.01 . 2 . . . . . . . . 6254 1 426 . 1 1 40 40 LYS HD2 H 1 1.242 0.01 . 2 . . . . . . . . 6254 1 427 . 1 1 40 40 LYS HD3 H 1 1.138 0.01 . 2 . . . . . . . . 6254 1 428 . 1 1 40 40 LYS HE2 H 1 2.963 0.01 . 2 . . . . . . . . 6254 1 429 . 1 1 40 40 LYS HE3 H 1 3.024 0.01 . 2 . . . . . . . . 6254 1 430 . 1 1 40 40 LYS C C 13 174.181 0.05 . 1 . . . . . . . . 6254 1 431 . 1 1 40 40 LYS CA C 13 54.992 0.05 . 1 . . . . . . . . 6254 1 432 . 1 1 40 40 LYS CB C 13 35.293 0.05 . 1 . . . . . . . . 6254 1 433 . 1 1 40 40 LYS N N 15 122.569 0.05 . 1 . . . . . . . . 6254 1 434 . 1 1 41 41 LYS H H 1 8.393 0.01 . 1 . . . . . . . . 6254 1 435 . 1 1 41 41 LYS HA H 1 5.655 0.01 . 1 . . . . . . . . 6254 1 436 . 1 1 41 41 LYS HB2 H 1 1.75 0.01 . 2 . . . . . . . . 6254 1 437 . 1 1 41 41 LYS HB3 H 1 1.589 0.01 . 2 . . . . . . . . 6254 1 438 . 1 1 41 41 LYS HG2 H 1 1.453 0.01 . 2 . . . . . . . . 6254 1 439 . 1 1 41 41 LYS HG3 H 1 1.387 0.01 . 2 . . . . . . . . 6254 1 440 . 1 1 41 41 LYS HD2 H 1 1.247 0.01 . 2 . . . . . . . . 6254 1 441 . 1 1 41 41 LYS HE2 H 1 2.601 0.01 . 2 . . . . . . . . 6254 1 442 . 1 1 41 41 LYS HE3 H 1 2.553 0.01 . 2 . . . . . . . . 6254 1 443 . 1 1 41 41 LYS C C 13 176.71 0.05 . 1 . . . . . . . . 6254 1 444 . 1 1 41 41 LYS CA C 13 55.105 0.05 . 1 . . . . . . . . 6254 1 445 . 1 1 41 41 LYS CB C 13 35.911 0.05 . 1 . . . . . . . . 6254 1 446 . 1 1 41 41 LYS N N 15 122.234 0.05 . 1 . . . . . . . . 6254 1 447 . 1 1 42 42 VAL H H 1 9.128 0.01 . 1 . . . . . . . . 6254 1 448 . 1 1 42 42 VAL HA H 1 4.754 0.01 . 1 . . . . . . . . 6254 1 449 . 1 1 42 42 VAL HB H 1 2.148 0.01 . 1 . . . . . . . . 6254 1 450 . 1 1 42 42 VAL HG11 H 1 0.896 0.01 . 1 . . . . . . . . 6254 1 451 . 1 1 42 42 VAL HG12 H 1 0.896 0.01 . 1 . . . . . . . . 6254 1 452 . 1 1 42 42 VAL HG13 H 1 0.896 0.01 . 1 . . . . . . . . 6254 1 453 . 1 1 42 42 VAL HG21 H 1 0.808 0.01 . 1 . . . . . . . . 6254 1 454 . 1 1 42 42 VAL HG22 H 1 0.808 0.01 . 1 . . . . . . . . 6254 1 455 . 1 1 42 42 VAL HG23 H 1 0.808 0.01 . 1 . . . . . . . . 6254 1 456 . 1 1 42 42 VAL C C 13 173.947 0.05 . 1 . . . . . . . . 6254 1 457 . 1 1 42 42 VAL CA C 13 58.561 0.05 . 1 . . . . . . . . 6254 1 458 . 1 1 42 42 VAL CB C 13 36.465 0.05 . 1 . . . . . . . . 6254 1 459 . 1 1 42 42 VAL N N 15 116.839 0.05 . 1 . . . . . . . . 6254 1 460 . 1 1 43 43 ASN H H 1 8.496 0.01 . 1 . . . . . . . . 6254 1 461 . 1 1 43 43 ASN HA H 1 4.666 0.01 . 1 . . . . . . . . 6254 1 462 . 1 1 43 43 ASN HB2 H 1 3.016 0.01 . 2 . . . . . . . . 6254 1 463 . 1 1 43 43 ASN HB3 H 1 2.561 0.01 . 2 . . . . . . . . 6254 1 464 . 1 1 43 43 ASN HD21 H 1 7.733 0.01 . 2 . . . . . . . . 6254 1 465 . 1 1 43 43 ASN HD22 H 1 7.098 0.01 . 2 . . . . . . . . 6254 1 466 . 1 1 43 43 ASN C C 13 176.457 0.05 . 1 . . . . . . . . 6254 1 467 . 1 1 43 43 ASN CA C 13 52.967 0.05 . 1 . . . . . . . . 6254 1 468 . 1 1 43 43 ASN CB C 13 38.916 0.05 . 1 . . . . . . . . 6254 1 469 . 1 1 43 43 ASN N N 15 120.881 0.05 . 1 . . . . . . . . 6254 1 470 . 1 1 43 43 ASN ND2 N 15 111.578 0.05 . 1 . . . . . . . . 6254 1 471 . 1 1 44 44 LEU H H 1 9.017 0.01 . 1 . . . . . . . . 6254 1 472 . 1 1 44 44 LEU HA H 1 4.094 0.01 . 1 . . . . . . . . 6254 1 473 . 1 1 44 44 LEU HB2 H 1 1.497 0.01 . 2 . . . . . . . . 6254 1 474 . 1 1 44 44 LEU HB3 H 1 1.113 0.01 . 2 . . . . . . . . 6254 1 475 . 1 1 44 44 LEU HG H 1 1.922 0.01 . 1 . . . . . . . . 6254 1 476 . 1 1 44 44 LEU HD11 H 1 0.977 0.01 . 1 . . . . . . . . 6254 1 477 . 1 1 44 44 LEU HD12 H 1 0.977 0.01 . 1 . . . . . . . . 6254 1 478 . 1 1 44 44 LEU HD13 H 1 0.977 0.01 . 1 . . . . . . . . 6254 1 479 . 1 1 44 44 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 6254 1 480 . 1 1 44 44 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 6254 1 481 . 1 1 44 44 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 6254 1 482 . 1 1 44 44 LEU C C 13 173.74 0.05 . 1 . . . . . . . . 6254 1 483 . 1 1 44 44 LEU CA C 13 54.824 0.05 . 1 . . . . . . . . 6254 1 484 . 1 1 44 44 LEU CB C 13 43.416 0.05 . 1 . . . . . . . . 6254 1 485 . 1 1 44 44 LEU N N 15 129.451 0.05 . 1 . . . . . . . . 6254 1 486 . 1 1 45 45 LYS H H 1 7.964 0.01 . 1 . . . . . . . . 6254 1 487 . 1 1 45 45 LYS HA H 1 4.277 0.01 . 1 . . . . . . . . 6254 1 488 . 1 1 45 45 LYS HB2 H 1 2.18 0.01 . 2 . . . . . . . . 6254 1 489 . 1 1 45 45 LYS HB3 H 1 1.711 0.01 . 2 . . . . . . . . 6254 1 490 . 1 1 45 45 LYS HG2 H 1 1.433 0.01 . 2 . . . . . . . . 6254 1 491 . 1 1 45 45 LYS HD2 H 1 0.969 0.01 . 2 . . . . . . . . 6254 1 492 . 1 1 45 45 LYS HD3 H 1 0.881 0.01 . 2 . . . . . . . . 6254 1 493 . 1 1 45 45 LYS HE2 H 1 3.349 0.01 . 2 . . . . . . . . 6254 1 494 . 1 1 45 45 LYS HE3 H 1 3.004 0.01 . 2 . . . . . . . . 6254 1 495 . 1 1 45 45 LYS C C 13 176.301 0.05 . 1 . . . . . . . . 6254 1 496 . 1 1 45 45 LYS CA C 13 56.115 0.05 . 1 . . . . . . . . 6254 1 497 . 1 1 45 45 LYS CB C 13 32.581 0.05 . 1 . . . . . . . . 6254 1 498 . 1 1 45 45 LYS N N 15 110.65 0.05 . 1 . . . . . . . . 6254 1 499 . 1 1 46 46 SER H H 1 7.571 0.01 . 1 . . . . . . . . 6254 1 500 . 1 1 46 46 SER HA H 1 4.808 0.01 . 1 . . . . . . . . 6254 1 501 . 1 1 46 46 SER HB2 H 1 4.269 0.01 . 2 . . . . . . . . 6254 1 502 . 1 1 46 46 SER HB3 H 1 3.813 0.01 . 2 . . . . . . . . 6254 1 503 . 1 1 46 46 SER C C 13 174.425 0.05 . 1 . . . . . . . . 6254 1 504 . 1 1 46 46 SER CA C 13 55.114 0.05 . 1 . . . . . . . . 6254 1 505 . 1 1 46 46 SER CB C 13 63.965 0.05 . 1 . . . . . . . . 6254 1 506 . 1 1 46 46 SER N N 15 114.057 0.05 . 1 . . . . . . . . 6254 1 507 . 1 1 47 47 ILE H H 1 8.99 0.01 . 1 . . . . . . . . 6254 1 508 . 1 1 47 47 ILE HA H 1 4.11 0.01 . 1 . . . . . . . . 6254 1 509 . 1 1 47 47 ILE HB H 1 2.296 0.01 . 1 . . . . . . . . 6254 1 510 . 1 1 47 47 ILE HG12 H 1 1.416 0.01 . 1 . . . . . . . . 6254 1 511 . 1 1 47 47 ILE HG13 H 1 1.047 0.01 . 1 . . . . . . . . 6254 1 512 . 1 1 47 47 ILE HG21 H 1 0.876 0.01 . 1 . . . . . . . . 6254 1 513 . 1 1 47 47 ILE HG22 H 1 0.876 0.01 . 1 . . . . . . . . 6254 1 514 . 1 1 47 47 ILE HG23 H 1 0.876 0.01 . 1 . . . . . . . . 6254 1 515 . 1 1 47 47 ILE HD11 H 1 0.923 0.01 . 1 . . . . . . . . 6254 1 516 . 1 1 47 47 ILE HD12 H 1 0.923 0.01 . 1 . . . . . . . . 6254 1 517 . 1 1 47 47 ILE HD13 H 1 0.923 0.01 . 1 . . . . . . . . 6254 1 518 . 1 1 47 47 ILE C C 13 176.381 0.05 . 1 . . . . . . . . 6254 1 519 . 1 1 47 47 ILE CA C 13 62.642 0.05 . 1 . . . . . . . . 6254 1 520 . 1 1 47 47 ILE CB C 13 38.432 0.05 . 1 . . . . . . . . 6254 1 521 . 1 1 47 47 ILE N N 15 128.776 0.05 . 1 . . . . . . . . 6254 1 522 . 1 1 48 48 MET H H 1 8.349 0.01 . 1 . . . . . . . . 6254 1 523 . 1 1 48 48 MET HA H 1 4.259 0.01 . 1 . . . . . . . . 6254 1 524 . 1 1 48 48 MET HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6254 1 525 . 1 1 48 48 MET HB3 H 1 1.952 0.01 . 2 . . . . . . . . 6254 1 526 . 1 1 48 48 MET HG2 H 1 2.707 0.01 . 2 . . . . . . . . 6254 1 527 . 1 1 48 48 MET HG3 H 1 2.589 0.01 . 2 . . . . . . . . 6254 1 528 . 1 1 48 48 MET HE1 H 1 1.975 0.01 . 1 . . . . . . . . 6254 1 529 . 1 1 48 48 MET HE2 H 1 1.975 0.01 . 1 . . . . . . . . 6254 1 530 . 1 1 48 48 MET HE3 H 1 1.975 0.01 . 1 . . . . . . . . 6254 1 531 . 1 1 48 48 MET C C 13 179.641 0.05 . 1 . . . . . . . . 6254 1 532 . 1 1 48 48 MET CA C 13 58.255 0.05 . 1 . . . . . . . . 6254 1 533 . 1 1 48 48 MET CB C 13 32.211 0.05 . 1 . . . . . . . . 6254 1 534 . 1 1 48 48 MET N N 15 120.434 0.05 . 1 . . . . . . . . 6254 1 535 . 1 1 49 49 GLY H H 1 8.184 0.01 . 1 . . . . . . . . 6254 1 536 . 1 1 49 49 GLY HA2 H 1 3.876 0.01 . 1 . . . . . . . . 6254 1 537 . 1 1 49 49 GLY HA3 H 1 3.876 0.01 . 1 . . . . . . . . 6254 1 538 . 1 1 49 49 GLY C C 13 176.493 0.05 . 1 . . . . . . . . 6254 1 539 . 1 1 49 49 GLY CA C 13 46.898 0.05 . 1 . . . . . . . . 6254 1 540 . 1 1 49 49 GLY N N 15 108.181 0.05 . 1 . . . . . . . . 6254 1 541 . 1 1 50 50 VAL H H 1 8.265 0.01 . 1 . . . . . . . . 6254 1 542 . 1 1 50 50 VAL HA H 1 3.573 0.01 . 1 . . . . . . . . 6254 1 543 . 1 1 50 50 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 6254 1 544 . 1 1 50 50 VAL HG11 H 1 1.086 0.01 . 1 . . . . . . . . 6254 1 545 . 1 1 50 50 VAL HG12 H 1 1.086 0.01 . 1 . . . . . . . . 6254 1 546 . 1 1 50 50 VAL HG13 H 1 1.086 0.01 . 1 . . . . . . . . 6254 1 547 . 1 1 50 50 VAL HG21 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 548 . 1 1 50 50 VAL HG22 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 549 . 1 1 50 50 VAL HG23 H 1 0.815 0.01 . 1 . . . . . . . . 6254 1 550 . 1 1 50 50 VAL C C 13 178.84 0.05 . 1 . . . . . . . . 6254 1 551 . 1 1 50 50 VAL CA C 13 66.595 0.05 . 1 . . . . . . . . 6254 1 552 . 1 1 50 50 VAL N N 15 122.823 0.05 . 1 . . . . . . . . 6254 1 553 . 1 1 51 51 MET H H 1 8.561 0.01 . 1 . . . . . . . . 6254 1 554 . 1 1 51 51 MET HA H 1 4.306 0.01 . 1 . . . . . . . . 6254 1 555 . 1 1 51 51 MET HB2 H 1 2.21 0.01 . 1 . . . . . . . . 6254 1 556 . 1 1 51 51 MET HG2 H 1 2.774 0.01 . 2 . . . . . . . . 6254 1 557 . 1 1 51 51 MET HG3 H 1 2.625 0.01 . 2 . . . . . . . . 6254 1 558 . 1 1 51 51 MET HE1 H 1 2.127 0.01 . 1 . . . . . . . . 6254 1 559 . 1 1 51 51 MET HE2 H 1 2.127 0.01 . 1 . . . . . . . . 6254 1 560 . 1 1 51 51 MET HE3 H 1 2.127 0.01 . 1 . . . . . . . . 6254 1 561 . 1 1 51 51 MET C C 13 178.37 0.05 . 1 . . . . . . . . 6254 1 562 . 1 1 51 51 MET CA C 13 57.566 0.05 . 1 . . . . . . . . 6254 1 563 . 1 1 51 51 MET CB C 13 31.946 0.05 . 1 . . . . . . . . 6254 1 564 . 1 1 51 51 MET N N 15 118.071 0.05 . 1 . . . . . . . . 6254 1 565 . 1 1 52 52 SER H H 1 7.775 0.01 . 1 . . . . . . . . 6254 1 566 . 1 1 52 52 SER HA H 1 4.392 0.01 . 1 . . . . . . . . 6254 1 567 . 1 1 52 52 SER HB2 H 1 4.089 0.01 . 2 . . . . . . . . 6254 1 568 . 1 1 52 52 SER HB3 H 1 3.69 0.01 . 2 . . . . . . . . 6254 1 569 . 1 1 52 52 SER C C 13 175.187 0.05 . 1 . . . . . . . . 6254 1 570 . 1 1 52 52 SER CA C 13 60.141 0.05 . 1 . . . . . . . . 6254 1 571 . 1 1 52 52 SER CB C 13 63.466 0.05 . 1 . . . . . . . . 6254 1 572 . 1 1 52 52 SER N N 15 113.815 0.05 . 1 . . . . . . . . 6254 1 573 . 1 1 53 53 LEU H H 1 7.338 0.01 . 1 . . . . . . . . 6254 1 574 . 1 1 53 53 LEU HA H 1 4.292 0.01 . 1 . . . . . . . . 6254 1 575 . 1 1 53 53 LEU HB2 H 1 1.963 0.01 . 2 . . . . . . . . 6254 1 576 . 1 1 53 53 LEU HB3 H 1 1.619 0.01 . 2 . . . . . . . . 6254 1 577 . 1 1 53 53 LEU HG H 1 0.871 0.01 . 1 . . . . . . . . 6254 1 578 . 1 1 53 53 LEU HD11 H 1 0.976 0.01 . 1 . . . . . . . . 6254 1 579 . 1 1 53 53 LEU HD12 H 1 0.976 0.01 . 1 . . . . . . . . 6254 1 580 . 1 1 53 53 LEU HD13 H 1 0.976 0.01 . 1 . . . . . . . . 6254 1 581 . 1 1 53 53 LEU HD21 H 1 0.785 0.01 . 1 . . . . . . . . 6254 1 582 . 1 1 53 53 LEU HD22 H 1 0.785 0.01 . 1 . . . . . . . . 6254 1 583 . 1 1 53 53 LEU HD23 H 1 0.785 0.01 . 1 . . . . . . . . 6254 1 584 . 1 1 53 53 LEU C C 13 177.883 0.05 . 1 . . . . . . . . 6254 1 585 . 1 1 53 53 LEU CA C 13 56.11 0.05 . 1 . . . . . . . . 6254 1 586 . 1 1 53 53 LEU CB C 13 43.994 0.05 . 1 . . . . . . . . 6254 1 587 . 1 1 53 53 LEU N N 15 121.122 0.05 . 1 . . . . . . . . 6254 1 588 . 1 1 54 54 GLY H H 1 7.686 0.01 . 1 . . . . . . . . 6254 1 589 . 1 1 54 54 GLY HA2 H 1 3.808 0.01 . 2 . . . . . . . . 6254 1 590 . 1 1 54 54 GLY HA3 H 1 4.759 0.01 . 2 . . . . . . . . 6254 1 591 . 1 1 54 54 GLY C C 13 175.068 0.05 . 1 . . . . . . . . 6254 1 592 . 1 1 54 54 GLY CA C 13 47.055 0.05 . 1 . . . . . . . . 6254 1 593 . 1 1 54 54 GLY N N 15 106.464 0.05 . 1 . . . . . . . . 6254 1 594 . 1 1 55 55 VAL H H 1 8.153 0.01 . 1 . . . . . . . . 6254 1 595 . 1 1 55 55 VAL HA H 1 2.927 0.01 . 1 . . . . . . . . 6254 1 596 . 1 1 55 55 VAL HB H 1 1.734 0.01 . 1 . . . . . . . . 6254 1 597 . 1 1 55 55 VAL HG11 H 1 0.47 0.01 . 1 . . . . . . . . 6254 1 598 . 1 1 55 55 VAL HG12 H 1 0.47 0.01 . 1 . . . . . . . . 6254 1 599 . 1 1 55 55 VAL HG13 H 1 0.47 0.01 . 1 . . . . . . . . 6254 1 600 . 1 1 55 55 VAL HG21 H 1 0.531 0.01 . 1 . . . . . . . . 6254 1 601 . 1 1 55 55 VAL HG22 H 1 0.531 0.01 . 1 . . . . . . . . 6254 1 602 . 1 1 55 55 VAL HG23 H 1 0.531 0.01 . 1 . . . . . . . . 6254 1 603 . 1 1 55 55 VAL C C 13 175.79 0.05 . 1 . . . . . . . . 6254 1 604 . 1 1 55 55 VAL CA C 13 63.872 0.05 . 1 . . . . . . . . 6254 1 605 . 1 1 55 55 VAL CB C 13 31.925 0.05 . 1 . . . . . . . . 6254 1 606 . 1 1 55 55 VAL N N 15 119.568 0.05 . 1 . . . . . . . . 6254 1 607 . 1 1 56 56 GLY H H 1 7.387 0.01 . 1 . . . . . . . . 6254 1 608 . 1 1 56 56 GLY HA2 H 1 4.352 0.01 . 2 . . . . . . . . 6254 1 609 . 1 1 56 56 GLY HA3 H 1 3.764 0.01 . 2 . . . . . . . . 6254 1 610 . 1 1 56 56 GLY C C 13 171.689 0.05 . 1 . . . . . . . . 6254 1 611 . 1 1 56 56 GLY CA C 13 44.036 0.05 . 1 . . . . . . . . 6254 1 612 . 1 1 56 56 GLY N N 15 115.968 0.05 . 1 . . . . . . . . 6254 1 613 . 1 1 57 57 LYS H H 1 8.235 0.01 . 1 . . . . . . . . 6254 1 614 . 1 1 57 57 LYS HA H 1 3.625 0.01 . 1 . . . . . . . . 6254 1 615 . 1 1 57 57 LYS HB2 H 1 1.687 0.01 . 2 . . . . . . . . 6254 1 616 . 1 1 57 57 LYS HB3 H 1 1.416 0.01 . 2 . . . . . . . . 6254 1 617 . 1 1 57 57 LYS HG2 H 1 1.24 0.01 . 2 . . . . . . . . 6254 1 618 . 1 1 57 57 LYS HG3 H 1 0.89 0.01 . 2 . . . . . . . . 6254 1 619 . 1 1 57 57 LYS HD2 H 1 2.09 0.01 . 2 . . . . . . . . 6254 1 620 . 1 1 57 57 LYS HD3 H 1 2.013 0.01 . 2 . . . . . . . . 6254 1 621 . 1 1 57 57 LYS HE2 H 1 3.752 0.01 . 2 . . . . . . . . 6254 1 622 . 1 1 57 57 LYS HE3 H 1 3.067 0.01 . 2 . . . . . . . . 6254 1 623 . 1 1 57 57 LYS C C 13 176.984 0.05 . 1 . . . . . . . . 6254 1 624 . 1 1 57 57 LYS CA C 13 58.587 0.05 . 1 . . . . . . . . 6254 1 625 . 1 1 57 57 LYS CB C 13 33.263 0.05 . 1 . . . . . . . . 6254 1 626 . 1 1 57 57 LYS N N 15 119.746 0.05 . 1 . . . . . . . . 6254 1 627 . 1 1 58 58 ASP H H 1 8.777 0.01 . 1 . . . . . . . . 6254 1 628 . 1 1 58 58 ASP HA H 1 4.357 0.01 . 1 . . . . . . . . 6254 1 629 . 1 1 58 58 ASP HB2 H 1 3.139 0.01 . 2 . . . . . . . . 6254 1 630 . 1 1 58 58 ASP HB3 H 1 2.918 0.01 . 2 . . . . . . . . 6254 1 631 . 1 1 58 58 ASP C C 13 175.126 0.05 . 1 . . . . . . . . 6254 1 632 . 1 1 58 58 ASP CA C 13 56.587 0.05 . 1 . . . . . . . . 6254 1 633 . 1 1 58 58 ASP CB C 13 39.469 0.05 . 1 . . . . . . . . 6254 1 634 . 1 1 58 58 ASP N N 15 120.705 0.05 . 1 . . . . . . . . 6254 1 635 . 1 1 59 59 ALA H H 1 7.946 0.01 . 1 . . . . . . . . 6254 1 636 . 1 1 59 59 ALA HA H 1 4.439 0.01 . 1 . . . . . . . . 6254 1 637 . 1 1 59 59 ALA HB1 H 1 1.347 0.01 . 1 . . . . . . . . 6254 1 638 . 1 1 59 59 ALA HB2 H 1 1.347 0.01 . 1 . . . . . . . . 6254 1 639 . 1 1 59 59 ALA HB3 H 1 1.347 0.01 . 1 . . . . . . . . 6254 1 640 . 1 1 59 59 ALA C C 13 176.025 0.05 . 1 . . . . . . . . 6254 1 641 . 1 1 59 59 ALA CA C 13 52.807 0.05 . 1 . . . . . . . . 6254 1 642 . 1 1 59 59 ALA CB C 13 21.962 0.05 . 1 . . . . . . . . 6254 1 643 . 1 1 59 59 ALA N N 15 122.761 0.05 . 1 . . . . . . . . 6254 1 644 . 1 1 60 60 GLU H H 1 8.491 0.01 . 1 . . . . . . . . 6254 1 645 . 1 1 60 60 GLU HA H 1 5.312 0.01 . 1 . . . . . . . . 6254 1 646 . 1 1 60 60 GLU HB2 H 1 2.156 0.01 . 2 . . . . . . . . 6254 1 647 . 1 1 60 60 GLU HB3 H 1 2.057 0.01 . 2 . . . . . . . . 6254 1 648 . 1 1 60 60 GLU HG2 H 1 2.363 0.01 . 2 . . . . . . . . 6254 1 649 . 1 1 60 60 GLU HG3 H 1 2.275 0.01 . 2 . . . . . . . . 6254 1 650 . 1 1 60 60 GLU C C 13 176.63 0.05 . 1 . . . . . . . . 6254 1 651 . 1 1 60 60 GLU CA C 13 55.258 0.05 . 1 . . . . . . . . 6254 1 652 . 1 1 60 60 GLU CB C 13 31.041 0.05 . 1 . . . . . . . . 6254 1 653 . 1 1 60 60 GLU N N 15 122.222 0.05 . 1 . . . . . . . . 6254 1 654 . 1 1 61 61 ILE H H 1 8.944 0.01 . 1 . . . . . . . . 6254 1 655 . 1 1 61 61 ILE HA H 1 5.543 0.01 . 1 . . . . . . . . 6254 1 656 . 1 1 61 61 ILE HB H 1 1.964 0.01 . 1 . . . . . . . . 6254 1 657 . 1 1 61 61 ILE HG12 H 1 1.688 0.01 . 1 . . . . . . . . 6254 1 658 . 1 1 61 61 ILE HG13 H 1 1.087 0.01 . 1 . . . . . . . . 6254 1 659 . 1 1 61 61 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 660 . 1 1 61 61 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 661 . 1 1 61 61 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 6254 1 662 . 1 1 61 61 ILE HD11 H 1 0.659 0.01 . 1 . . . . . . . . 6254 1 663 . 1 1 61 61 ILE HD12 H 1 0.659 0.01 . 1 . . . . . . . . 6254 1 664 . 1 1 61 61 ILE HD13 H 1 0.659 0.01 . 1 . . . . . . . . 6254 1 665 . 1 1 61 61 ILE C C 13 175.635 0.05 . 1 . . . . . . . . 6254 1 666 . 1 1 61 61 ILE CA C 13 59.034 0.05 . 1 . . . . . . . . 6254 1 667 . 1 1 61 61 ILE CB C 13 41.934 0.05 . 1 . . . . . . . . 6254 1 668 . 1 1 61 61 ILE CD1 C 13 17.9 0.05 . 1 . . . . . . . . 6254 1 669 . 1 1 61 61 ILE N N 15 117.326 0.05 . 1 . . . . . . . . 6254 1 670 . 1 1 62 62 THR H H 1 8.68 0.01 . 1 . . . . . . . . 6254 1 671 . 1 1 62 62 THR HA H 1 5.086 0.01 . 1 . . . . . . . . 6254 1 672 . 1 1 62 62 THR HB H 1 3.849 0.01 . 1 . . . . . . . . 6254 1 673 . 1 1 62 62 THR HG21 H 1 0.536 0.01 . 1 . . . . . . . . 6254 1 674 . 1 1 62 62 THR HG22 H 1 0.536 0.01 . 1 . . . . . . . . 6254 1 675 . 1 1 62 62 THR HG23 H 1 0.536 0.01 . 1 . . . . . . . . 6254 1 676 . 1 1 62 62 THR C C 13 171.985 0.05 . 1 . . . . . . . . 6254 1 677 . 1 1 62 62 THR CA C 13 62.289 0.05 . 1 . . . . . . . . 6254 1 678 . 1 1 62 62 THR CB C 13 71.412 0.05 . 1 . . . . . . . . 6254 1 679 . 1 1 62 62 THR CG2 C 13 20.7 0.05 . 1 . . . . . . . . 6254 1 680 . 1 1 62 62 THR N N 15 118.006 0.05 . 1 . . . . . . . . 6254 1 681 . 1 1 63 63 ILE H H 1 9.081 0.01 . 1 . . . . . . . . 6254 1 682 . 1 1 63 63 ILE HA H 1 5.179 0.01 . 1 . . . . . . . . 6254 1 683 . 1 1 63 63 ILE HB H 1 1.803 0.01 . 1 . . . . . . . . 6254 1 684 . 1 1 63 63 ILE HG12 H 1 1.672 0.01 . 1 . . . . . . . . 6254 1 685 . 1 1 63 63 ILE HG13 H 1 1.145 0.01 . 1 . . . . . . . . 6254 1 686 . 1 1 63 63 ILE HG21 H 1 0.812 0.01 . 1 . . . . . . . . 6254 1 687 . 1 1 63 63 ILE HG22 H 1 0.812 0.01 . 1 . . . . . . . . 6254 1 688 . 1 1 63 63 ILE HG23 H 1 0.812 0.01 . 1 . . . . . . . . 6254 1 689 . 1 1 63 63 ILE HD11 H 1 0.529 0.01 . 1 . . . . . . . . 6254 1 690 . 1 1 63 63 ILE HD12 H 1 0.529 0.01 . 1 . . . . . . . . 6254 1 691 . 1 1 63 63 ILE HD13 H 1 0.529 0.01 . 1 . . . . . . . . 6254 1 692 . 1 1 63 63 ILE C C 13 173.017 0.05 . 1 . . . . . . . . 6254 1 693 . 1 1 63 63 ILE CA C 13 59.269 0.05 . 1 . . . . . . . . 6254 1 694 . 1 1 63 63 ILE CB C 13 40.427 0.05 . 1 . . . . . . . . 6254 1 695 . 1 1 63 63 ILE CG1 C 13 28.6 0.05 . 1 . . . . . . . . 6254 1 696 . 1 1 63 63 ILE N N 15 127.109 0.05 . 1 . . . . . . . . 6254 1 697 . 1 1 64 64 TYR H H 1 8.903 0.01 . 1 . . . . . . . . 6254 1 698 . 1 1 64 64 TYR HA H 1 5.158 0.01 . 1 . . . . . . . . 6254 1 699 . 1 1 64 64 TYR HB2 H 1 3.06 0.01 . 2 . . . . . . . . 6254 1 700 . 1 1 64 64 TYR HB3 H 1 2.73 0.01 . 2 . . . . . . . . 6254 1 701 . 1 1 64 64 TYR HD1 H 1 7.015 0.01 . 1 . . . . . . . . 6254 1 702 . 1 1 64 64 TYR HD2 H 1 7.015 0.01 . 1 . . . . . . . . 6254 1 703 . 1 1 64 64 TYR HE1 H 1 6.713 0.01 . 1 . . . . . . . . 6254 1 704 . 1 1 64 64 TYR HE2 H 1 6.713 0.01 . 1 . . . . . . . . 6254 1 705 . 1 1 64 64 TYR C C 13 174.993 0.05 . 1 . . . . . . . . 6254 1 706 . 1 1 64 64 TYR CA C 13 55.711 0.05 . 1 . . . . . . . . 6254 1 707 . 1 1 64 64 TYR CB C 13 41.62 0.05 . 1 . . . . . . . . 6254 1 708 . 1 1 64 64 TYR N N 15 123.67 0.05 . 1 . . . . . . . . 6254 1 709 . 1 1 65 65 ALA H H 1 9.508 0.01 . 1 . . . . . . . . 6254 1 710 . 1 1 65 65 ALA HA H 1 5.508 0.01 . 1 . . . . . . . . 6254 1 711 . 1 1 65 65 ALA HB1 H 1 1.187 0.01 . 1 . . . . . . . . 6254 1 712 . 1 1 65 65 ALA HB2 H 1 1.187 0.01 . 1 . . . . . . . . 6254 1 713 . 1 1 65 65 ALA HB3 H 1 1.187 0.01 . 1 . . . . . . . . 6254 1 714 . 1 1 65 65 ALA C C 13 174.697 0.05 . 1 . . . . . . . . 6254 1 715 . 1 1 65 65 ALA CA C 13 50.218 0.05 . 1 . . . . . . . . 6254 1 716 . 1 1 65 65 ALA CB C 13 23.929 0.05 . 1 . . . . . . . . 6254 1 717 . 1 1 65 65 ALA N N 15 124.747 0.05 . 1 . . . . . . . . 6254 1 718 . 1 1 66 66 ASP H H 1 8.948 0.01 . 1 . . . . . . . . 6254 1 719 . 1 1 66 66 ASP HA H 1 5.59 0.01 . 1 . . . . . . . . 6254 1 720 . 1 1 66 66 ASP HB2 H 1 2.961 0.01 . 2 . . . . . . . . 6254 1 721 . 1 1 66 66 ASP HB3 H 1 2.549 0.01 . 2 . . . . . . . . 6254 1 722 . 1 1 66 66 ASP C C 13 175.364 0.05 . 1 . . . . . . . . 6254 1 723 . 1 1 66 66 ASP CA C 13 52.089 0.05 . 1 . . . . . . . . 6254 1 724 . 1 1 66 66 ASP CB C 13 45.161 0.05 . 1 . . . . . . . . 6254 1 725 . 1 1 66 66 ASP N N 15 122.51 0.05 . 1 . . . . . . . . 6254 1 726 . 1 1 67 67 GLY H H 1 10.384 0.01 . 1 . . . . . . . . 6254 1 727 . 1 1 67 67 GLY HA2 H 1 4.846 0.01 . 2 . . . . . . . . 6254 1 728 . 1 1 67 67 GLY HA3 H 1 4.005 0.01 . 2 . . . . . . . . 6254 1 729 . 1 1 67 67 GLY C C 13 175.383 0.05 . 1 . . . . . . . . 6254 1 730 . 1 1 67 67 GLY CA C 13 46.063 0.05 . 1 . . . . . . . . 6254 1 731 . 1 1 67 67 GLY N N 15 118.431 0.05 . 1 . . . . . . . . 6254 1 732 . 1 1 68 68 SER H H 1 9.055 0.01 . 1 . . . . . . . . 6254 1 733 . 1 1 68 68 SER HA H 1 4.651 0.01 . 1 . . . . . . . . 6254 1 734 . 1 1 68 68 SER HB2 H 1 4.138 0.01 . 1 . . . . . . . . 6254 1 735 . 1 1 68 68 SER C C 13 175.805 0.05 . 1 . . . . . . . . 6254 1 736 . 1 1 68 68 SER CA C 13 61.284 0.05 . 1 . . . . . . . . 6254 1 737 . 1 1 68 68 SER CB C 13 62.446 0.05 . 1 . . . . . . . . 6254 1 738 . 1 1 68 68 SER N N 15 115.396 0.05 . 1 . . . . . . . . 6254 1 739 . 1 1 69 69 ASP H H 1 7.537 0.01 . 1 . . . . . . . . 6254 1 740 . 1 1 69 69 ASP HA H 1 5.142 0.01 . 1 . . . . . . . . 6254 1 741 . 1 1 69 69 ASP HB2 H 1 3.527 0.01 . 2 . . . . . . . . 6254 1 742 . 1 1 69 69 ASP HB3 H 1 2.817 0.01 . 2 . . . . . . . . 6254 1 743 . 1 1 69 69 ASP C C 13 176.808 0.05 . 1 . . . . . . . . 6254 1 744 . 1 1 69 69 ASP CA C 13 51.39 0.05 . 1 . . . . . . . . 6254 1 745 . 1 1 69 69 ASP CB C 13 40.414 0.05 . 1 . . . . . . . . 6254 1 746 . 1 1 69 69 ASP N N 15 118.478 0.05 . 1 . . . . . . . . 6254 1 747 . 1 1 70 70 GLU H H 1 7.168 0.01 . 1 . . . . . . . . 6254 1 748 . 1 1 70 70 GLU HA H 1 3.77 0.01 . 1 . . . . . . . . 6254 1 749 . 1 1 70 70 GLU HB2 H 1 2.407 0.01 . 2 . . . . . . . . 6254 1 750 . 1 1 70 70 GLU HB3 H 1 1.773 0.01 . 2 . . . . . . . . 6254 1 751 . 1 1 70 70 GLU HG2 H 1 2.786 0.01 . 2 . . . . . . . . 6254 1 752 . 1 1 70 70 GLU HG3 H 1 2.21 0.01 . 2 . . . . . . . . 6254 1 753 . 1 1 70 70 GLU C C 13 176.477 0.05 . 1 . . . . . . . . 6254 1 754 . 1 1 70 70 GLU CA C 13 59.443 0.05 . 1 . . . . . . . . 6254 1 755 . 1 1 70 70 GLU CB C 13 28.449 0.05 . 1 . . . . . . . . 6254 1 756 . 1 1 70 70 GLU N N 15 118.553 0.05 . 1 . . . . . . . . 6254 1 757 . 1 1 71 71 ALA H H 1 8.29 0.01 . 1 . . . . . . . . 6254 1 758 . 1 1 71 71 ALA HA H 1 4.066 0.01 . 1 . . . . . . . . 6254 1 759 . 1 1 71 71 ALA HB1 H 1 1.455 0.01 . 1 . . . . . . . . 6254 1 760 . 1 1 71 71 ALA HB2 H 1 1.455 0.01 . 1 . . . . . . . . 6254 1 761 . 1 1 71 71 ALA HB3 H 1 1.455 0.01 . 1 . . . . . . . . 6254 1 762 . 1 1 71 71 ALA C C 13 180.674 0.05 . 1 . . . . . . . . 6254 1 763 . 1 1 71 71 ALA CA C 13 55.146 0.05 . 1 . . . . . . . . 6254 1 764 . 1 1 71 71 ALA CB C 13 18.935 0.05 . 1 . . . . . . . . 6254 1 765 . 1 1 71 71 ALA N N 15 122.603 0.05 . 1 . . . . . . . . 6254 1 766 . 1 1 72 72 ASP H H 1 7.646 0.01 . 1 . . . . . . . . 6254 1 767 . 1 1 72 72 ASP HA H 1 4.292 0.01 . 1 . . . . . . . . 6254 1 768 . 1 1 72 72 ASP HB2 H 1 2.791 0.01 . 2 . . . . . . . . 6254 1 769 . 1 1 72 72 ASP HB3 H 1 2.307 0.01 . 2 . . . . . . . . 6254 1 770 . 1 1 72 72 ASP C C 13 178.37 0.05 . 1 . . . . . . . . 6254 1 771 . 1 1 72 72 ASP CA C 13 56.409 0.05 . 1 . . . . . . . . 6254 1 772 . 1 1 72 72 ASP CB C 13 30.802 0.05 . 1 . . . . . . . . 6254 1 773 . 1 1 72 72 ASP N N 15 119.73 0.05 . 1 . . . . . . . . 6254 1 774 . 1 1 73 73 ALA H H 1 8.308 0.01 . 1 . . . . . . . . 6254 1 775 . 1 1 73 73 ALA HA H 1 2.093 0.01 . 1 . . . . . . . . 6254 1 776 . 1 1 73 73 ALA HB1 H 1 0.729 0.01 . 1 . . . . . . . . 6254 1 777 . 1 1 73 73 ALA HB2 H 1 0.729 0.01 . 1 . . . . . . . . 6254 1 778 . 1 1 73 73 ALA HB3 H 1 0.729 0.01 . 1 . . . . . . . . 6254 1 779 . 1 1 73 73 ALA C C 13 178.802 0.05 . 1 . . . . . . . . 6254 1 780 . 1 1 73 73 ALA CA C 13 53.943 0.05 . 1 . . . . . . . . 6254 1 781 . 1 1 73 73 ALA CB C 13 18.961 0.05 . 1 . . . . . . . . 6254 1 782 . 1 1 73 73 ALA N N 15 123.992 0.05 . 1 . . . . . . . . 6254 1 783 . 1 1 74 74 ILE H H 1 7.508 0.01 . 1 . . . . . . . . 6254 1 784 . 1 1 74 74 ILE HA H 1 3.695 0.01 . 1 . . . . . . . . 6254 1 785 . 1 1 74 74 ILE HB H 1 1.857 0.01 . 1 . . . . . . . . 6254 1 786 . 1 1 74 74 ILE HG12 H 1 1.525 0.01 . 1 . . . . . . . . 6254 1 787 . 1 1 74 74 ILE HG13 H 1 1.249 0.01 . 1 . . . . . . . . 6254 1 788 . 1 1 74 74 ILE HG21 H 1 0.901 0.01 . 1 . . . . . . . . 6254 1 789 . 1 1 74 74 ILE HG22 H 1 0.901 0.01 . 1 . . . . . . . . 6254 1 790 . 1 1 74 74 ILE HG23 H 1 0.901 0.01 . 1 . . . . . . . . 6254 1 791 . 1 1 74 74 ILE HD11 H 1 0.611 0.01 . 1 . . . . . . . . 6254 1 792 . 1 1 74 74 ILE HD12 H 1 0.611 0.01 . 1 . . . . . . . . 6254 1 793 . 1 1 74 74 ILE HD13 H 1 0.611 0.01 . 1 . . . . . . . . 6254 1 794 . 1 1 74 74 ILE C C 13 178.194 0.05 . 1 . . . . . . . . 6254 1 795 . 1 1 74 74 ILE CA C 13 61.446 0.05 . 1 . . . . . . . . 6254 1 796 . 1 1 74 74 ILE CB C 13 36.714 0.05 . 1 . . . . . . . . 6254 1 797 . 1 1 74 74 ILE CG1 C 13 24.1 0.05 . 1 . . . . . . . . 6254 1 798 . 1 1 74 74 ILE CD1 C 13 23 0.05 . 1 . . . . . . . . 6254 1 799 . 1 1 74 74 ILE N N 15 115.625 0.05 . 1 . . . . . . . . 6254 1 800 . 1 1 75 75 GLN H H 1 7.422 0.01 . 1 . . . . . . . . 6254 1 801 . 1 1 75 75 GLN HA H 1 3.97 0.01 . 1 . . . . . . . . 6254 1 802 . 1 1 75 75 GLN HB2 H 1 1.755 0.01 . 2 . . . . . . . . 6254 1 803 . 1 1 75 75 GLN HB3 H 1 1.636 0.01 . 2 . . . . . . . . 6254 1 804 . 1 1 75 75 GLN HG2 H 1 2.441 0.01 . 2 . . . . . . . . 6254 1 805 . 1 1 75 75 GLN HG3 H 1 2.155 0.01 . 2 . . . . . . . . 6254 1 806 . 1 1 75 75 GLN HE21 H 1 7.706 0.01 . 2 . . . . . . . . 6254 1 807 . 1 1 75 75 GLN HE22 H 1 6.95 0.01 . 2 . . . . . . . . 6254 1 808 . 1 1 75 75 GLN C C 13 177.743 0.05 . 1 . . . . . . . . 6254 1 809 . 1 1 75 75 GLN CA C 13 58.925 0.05 . 1 . . . . . . . . 6254 1 810 . 1 1 75 75 GLN CB C 13 29.061 0.05 . 1 . . . . . . . . 6254 1 811 . 1 1 75 75 GLN N N 15 120.633 0.05 . 1 . . . . . . . . 6254 1 812 . 1 1 75 75 GLN NE2 N 15 114.652 0.05 . 1 . . . . . . . . 6254 1 813 . 1 1 76 76 ALA H H 1 7.979 0.01 . 1 . . . . . . . . 6254 1 814 . 1 1 76 76 ALA HA H 1 4.224 0.01 . 1 . . . . . . . . 6254 1 815 . 1 1 76 76 ALA HB1 H 1 1.617 0.01 . 1 . . . . . . . . 6254 1 816 . 1 1 76 76 ALA HB2 H 1 1.617 0.01 . 1 . . . . . . . . 6254 1 817 . 1 1 76 76 ALA HB3 H 1 1.617 0.01 . 1 . . . . . . . . 6254 1 818 . 1 1 76 76 ALA C C 13 180.973 0.05 . 1 . . . . . . . . 6254 1 819 . 1 1 76 76 ALA CA C 13 54.844 0.05 . 1 . . . . . . . . 6254 1 820 . 1 1 76 76 ALA CB C 13 20.258 0.05 . 1 . . . . . . . . 6254 1 821 . 1 1 76 76 ALA N N 15 121.409 0.05 . 1 . . . . . . . . 6254 1 822 . 1 1 77 77 ILE H H 1 8.185 0.01 . 1 . . . . . . . . 6254 1 823 . 1 1 77 77 ILE HA H 1 3.572 0.01 . 1 . . . . . . . . 6254 1 824 . 1 1 77 77 ILE HB H 1 1.951 0.01 . 1 . . . . . . . . 6254 1 825 . 1 1 77 77 ILE HG12 H 1 1.652 0.01 . 1 . . . . . . . . 6254 1 826 . 1 1 77 77 ILE HG13 H 1 0.955 0.01 . 1 . . . . . . . . 6254 1 827 . 1 1 77 77 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 6254 1 828 . 1 1 77 77 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 6254 1 829 . 1 1 77 77 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 6254 1 830 . 1 1 77 77 ILE HD11 H 1 0.655 0.01 . 1 . . . . . . . . 6254 1 831 . 1 1 77 77 ILE HD12 H 1 0.655 0.01 . 1 . . . . . . . . 6254 1 832 . 1 1 77 77 ILE HD13 H 1 0.655 0.01 . 1 . . . . . . . . 6254 1 833 . 1 1 77 77 ILE C C 13 176.595 0.05 . 1 . . . . . . . . 6254 1 834 . 1 1 77 77 ILE CA C 13 64.463 0.05 . 1 . . . . . . . . 6254 1 835 . 1 1 77 77 ILE CB C 13 37.727 0.05 . 1 . . . . . . . . 6254 1 836 . 1 1 77 77 ILE CD1 C 13 17.8 0.05 . 1 . . . . . . . . 6254 1 837 . 1 1 77 77 ILE N N 15 121.187 0.05 . 1 . . . . . . . . 6254 1 838 . 1 1 78 78 THR H H 1 8.635 0.01 . 1 . . . . . . . . 6254 1 839 . 1 1 78 78 THR HA H 1 3.903 0.01 . 1 . . . . . . . . 6254 1 840 . 1 1 78 78 THR HB H 1 4.49 0.01 . 1 . . . . . . . . 6254 1 841 . 1 1 78 78 THR HG1 H 1 6.034 0.01 . 1 . . . . . . . . 6254 1 842 . 1 1 78 78 THR HG21 H 1 1.41 0.01 . 1 . . . . . . . . 6254 1 843 . 1 1 78 78 THR HG22 H 1 1.41 0.01 . 1 . . . . . . . . 6254 1 844 . 1 1 78 78 THR HG23 H 1 1.41 0.01 . 1 . . . . . . . . 6254 1 845 . 1 1 78 78 THR C C 13 176.751 0.05 . 1 . . . . . . . . 6254 1 846 . 1 1 78 78 THR CA C 13 66.48 0.05 . 1 . . . . . . . . 6254 1 847 . 1 1 78 78 THR CB C 13 69.072 0.05 . 1 . . . . . . . . 6254 1 848 . 1 1 78 78 THR CG2 C 13 21.3 0.05 . 1 . . . . . . . . 6254 1 849 . 1 1 78 78 THR N N 15 118.512 0.05 . 1 . . . . . . . . 6254 1 850 . 1 1 79 79 ASP H H 1 8.113 0.01 . 1 . . . . . . . . 6254 1 851 . 1 1 79 79 ASP HA H 1 4.448 0.01 . 1 . . . . . . . . 6254 1 852 . 1 1 79 79 ASP HB2 H 1 2.833 0.01 . 2 . . . . . . . . 6254 1 853 . 1 1 79 79 ASP HB3 H 1 2.723 0.01 . 2 . . . . . . . . 6254 1 854 . 1 1 79 79 ASP C C 13 178.097 0.05 . 1 . . . . . . . . 6254 1 855 . 1 1 79 79 ASP CA C 13 57.755 0.05 . 1 . . . . . . . . 6254 1 856 . 1 1 79 79 ASP CB C 13 41.376 0.05 . 1 . . . . . . . . 6254 1 857 . 1 1 79 79 ASP N N 15 120.283 0.05 . 1 . . . . . . . . 6254 1 858 . 1 1 80 80 VAL H H 1 8.118 0.01 . 1 . . . . . . . . 6254 1 859 . 1 1 80 80 VAL HA H 1 3.96 0.01 . 1 . . . . . . . . 6254 1 860 . 1 1 80 80 VAL HB H 1 2.153 0.01 . 1 . . . . . . . . 6254 1 861 . 1 1 80 80 VAL HG11 H 1 1.109 0.01 . 1 . . . . . . . . 6254 1 862 . 1 1 80 80 VAL HG12 H 1 1.109 0.01 . 1 . . . . . . . . 6254 1 863 . 1 1 80 80 VAL HG13 H 1 1.109 0.01 . 1 . . . . . . . . 6254 1 864 . 1 1 80 80 VAL HG21 H 1 1.028 0.01 . 1 . . . . . . . . 6254 1 865 . 1 1 80 80 VAL HG22 H 1 1.028 0.01 . 1 . . . . . . . . 6254 1 866 . 1 1 80 80 VAL HG23 H 1 1.028 0.01 . 1 . . . . . . . . 6254 1 867 . 1 1 80 80 VAL C C 13 177.082 0.05 . 1 . . . . . . . . 6254 1 868 . 1 1 80 80 VAL CA C 13 65.935 0.05 . 1 . . . . . . . . 6254 1 869 . 1 1 80 80 VAL CB C 13 31.939 0.05 . 1 . . . . . . . . 6254 1 870 . 1 1 80 80 VAL CG1 C 13 20.7 0.05 . 1 . . . . . . . . 6254 1 871 . 1 1 80 80 VAL N N 15 120.835 0.05 . 1 . . . . . . . . 6254 1 872 . 1 1 81 81 LEU H H 1 8.039 0.01 . 1 . . . . . . . . 6254 1 873 . 1 1 81 81 LEU HA H 1 3.82 0.01 . 1 . . . . . . . . 6254 1 874 . 1 1 81 81 LEU HB2 H 1 1.734 0.01 . 2 . . . . . . . . 6254 1 875 . 1 1 81 81 LEU HB3 H 1 1.32 0.01 . 2 . . . . . . . . 6254 1 876 . 1 1 81 81 LEU HG H 1 1.508 0.01 . 1 . . . . . . . . 6254 1 877 . 1 1 81 81 LEU HD11 H 1 0.519 0.01 . 1 . . . . . . . . 6254 1 878 . 1 1 81 81 LEU HD12 H 1 0.519 0.01 . 1 . . . . . . . . 6254 1 879 . 1 1 81 81 LEU HD13 H 1 0.519 0.01 . 1 . . . . . . . . 6254 1 880 . 1 1 81 81 LEU HD21 H 1 -0.175 0.01 . 1 . . . . . . . . 6254 1 881 . 1 1 81 81 LEU HD22 H 1 -0.175 0.01 . 1 . . . . . . . . 6254 1 882 . 1 1 81 81 LEU HD23 H 1 -0.175 0.01 . 1 . . . . . . . . 6254 1 883 . 1 1 81 81 LEU C C 13 178.803 0.05 . 1 . . . . . . . . 6254 1 884 . 1 1 81 81 LEU CA C 13 58.29 0.05 . 1 . . . . . . . . 6254 1 885 . 1 1 81 81 LEU CB C 13 41.58 0.05 . 1 . . . . . . . . 6254 1 886 . 1 1 81 81 LEU CG C 13 26.3 0.05 . 1 . . . . . . . . 6254 1 887 . 1 1 81 81 LEU CD1 C 13 24.1 0.05 . 1 . . . . . . . . 6254 1 888 . 1 1 81 81 LEU CD2 C 13 23.5 0.05 . 1 . . . . . . . . 6254 1 889 . 1 1 81 81 LEU N N 15 120.781 0.05 . 1 . . . . . . . . 6254 1 890 . 1 1 82 82 SER H H 1 7.467 0.01 . 1 . . . . . . . . 6254 1 891 . 1 1 82 82 SER HA H 1 4.357 0.01 . 1 . . . . . . . . 6254 1 892 . 1 1 82 82 SER HB2 H 1 4.139 0.01 . 2 . . . . . . . . 6254 1 893 . 1 1 82 82 SER HB3 H 1 3.999 0.01 . 2 . . . . . . . . 6254 1 894 . 1 1 82 82 SER C C 13 178.937 0.05 . 1 . . . . . . . . 6254 1 895 . 1 1 82 82 SER CA C 13 60.41 0.05 . 1 . . . . . . . . 6254 1 896 . 1 1 82 82 SER CB C 13 63.159 0.05 . 1 . . . . . . . . 6254 1 897 . 1 1 82 82 SER N N 15 111.934 0.05 . 1 . . . . . . . . 6254 1 898 . 1 1 83 83 LYS H H 1 8.74 0.01 . 1 . . . . . . . . 6254 1 899 . 1 1 83 83 LYS HA H 1 4.098 0.01 . 1 . . . . . . . . 6254 1 900 . 1 1 83 83 LYS HB2 H 1 2.033 0.01 . 2 . . . . . . . . 6254 1 901 . 1 1 83 83 LYS HB3 H 1 1.922 0.01 . 2 . . . . . . . . 6254 1 902 . 1 1 83 83 LYS HG2 H 1 1.585 0.01 . 2 . . . . . . . . 6254 1 903 . 1 1 83 83 LYS HG3 H 1 1.52 0.01 . 2 . . . . . . . . 6254 1 904 . 1 1 83 83 LYS HD2 H 1 1.294 0.01 . 2 . . . . . . . . 6254 1 905 . 1 1 83 83 LYS HD3 H 1 1.234 0.01 . 2 . . . . . . . . 6254 1 906 . 1 1 83 83 LYS HE2 H 1 3.235 0.01 . 2 . . . . . . . . 6254 1 907 . 1 1 83 83 LYS HE3 H 1 2.876 0.01 . 2 . . . . . . . . 6254 1 908 . 1 1 83 83 LYS C C 13 179.288 0.05 . 1 . . . . . . . . 6254 1 909 . 1 1 83 83 LYS CA C 13 59.185 0.05 . 1 . . . . . . . . 6254 1 910 . 1 1 83 83 LYS CB C 13 32.999 0.05 . 1 . . . . . . . . 6254 1 911 . 1 1 83 83 LYS N N 15 123.852 0.05 . 1 . . . . . . . . 6254 1 912 . 1 1 84 84 GLU H H 1 8.19 0.01 . 1 . . . . . . . . 6254 1 913 . 1 1 84 84 GLU HA H 1 4.341 0.01 . 1 . . . . . . . . 6254 1 914 . 1 1 84 84 GLU HB2 H 1 2.201 0.01 . 2 . . . . . . . . 6254 1 915 . 1 1 84 84 GLU HB3 H 1 1.886 0.01 . 2 . . . . . . . . 6254 1 916 . 1 1 84 84 GLU HG2 H 1 2.442 0.01 . 2 . . . . . . . . 6254 1 917 . 1 1 84 84 GLU HG3 H 1 2.334 0.01 . 2 . . . . . . . . 6254 1 918 . 1 1 84 84 GLU C C 13 176.814 0.05 . 1 . . . . . . . . 6254 1 919 . 1 1 84 84 GLU CA C 13 55.721 0.05 . 1 . . . . . . . . 6254 1 920 . 1 1 84 84 GLU CB C 13 30.284 0.05 . 1 . . . . . . . . 6254 1 921 . 1 1 84 84 GLU N N 15 114.772 0.05 . 1 . . . . . . . . 6254 1 922 . 1 1 85 85 GLY H H 1 7.869 0.01 . 1 . . . . . . . . 6254 1 923 . 1 1 85 85 GLY HA2 H 1 4.041 0.01 . 2 . . . . . . . . 6254 1 924 . 1 1 85 85 GLY HA3 H 1 3.952 0.01 . 2 . . . . . . . . 6254 1 925 . 1 1 85 85 GLY C C 13 174.271 0.05 . 1 . . . . . . . . 6254 1 926 . 1 1 85 85 GLY CA C 13 46.051 0.05 . 1 . . . . . . . . 6254 1 927 . 1 1 85 85 GLY N N 15 107.482 0.05 . 1 . . . . . . . . 6254 1 928 . 1 1 86 86 LEU H H 1 8.133 0.01 . 1 . . . . . . . . 6254 1 929 . 1 1 86 86 LEU HA H 1 4.416 0.01 . 1 . . . . . . . . 6254 1 930 . 1 1 86 86 LEU HB2 H 1 1.883 0.01 . 2 . . . . . . . . 6254 1 931 . 1 1 86 86 LEU HB3 H 1 1.491 0.01 . 2 . . . . . . . . 6254 1 932 . 1 1 86 86 LEU HG H 1 1.594 0.01 . 1 . . . . . . . . 6254 1 933 . 1 1 86 86 LEU HD11 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 934 . 1 1 86 86 LEU HD12 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 935 . 1 1 86 86 LEU HD13 H 1 1.349 0.01 . 1 . . . . . . . . 6254 1 936 . 1 1 86 86 LEU HD21 H 1 0.776 0.01 . 1 . . . . . . . . 6254 1 937 . 1 1 86 86 LEU HD22 H 1 0.776 0.01 . 1 . . . . . . . . 6254 1 938 . 1 1 86 86 LEU HD23 H 1 0.776 0.01 . 1 . . . . . . . . 6254 1 939 . 1 1 86 86 LEU C C 13 176.586 0.05 . 1 . . . . . . . . 6254 1 940 . 1 1 86 86 LEU CA C 13 56.417 0.05 . 1 . . . . . . . . 6254 1 941 . 1 1 86 86 LEU CB C 13 43.43 0.05 . 1 . . . . . . . . 6254 1 942 . 1 1 86 86 LEU N N 15 117.421 0.05 . 1 . . . . . . . . 6254 1 943 . 1 1 87 87 THR H H 1 7.427 0.01 . 1 . . . . . . . . 6254 1 944 . 1 1 87 87 THR HA H 1 4.853 0.01 . 1 . . . . . . . . 6254 1 945 . 1 1 87 87 THR HB H 1 4.636 0.01 . 1 . . . . . . . . 6254 1 946 . 1 1 87 87 THR HG21 H 1 1.145 0.01 . 1 . . . . . . . . 6254 1 947 . 1 1 87 87 THR HG22 H 1 1.145 0.01 . 1 . . . . . . . . 6254 1 948 . 1 1 87 87 THR HG23 H 1 1.145 0.01 . 1 . . . . . . . . 6254 1 949 . 1 1 87 87 THR C C 13 173.987 0.05 . 1 . . . . . . . . 6254 1 950 . 1 1 87 87 THR CA C 13 59.403 0.05 . 1 . . . . . . . . 6254 1 951 . 1 1 87 87 THR CB C 13 71.919 0.05 . 1 . . . . . . . . 6254 1 952 . 1 1 87 87 THR CG2 C 13 21.8 0.05 . 1 . . . . . . . . 6254 1 953 . 1 1 87 87 THR N N 15 107.306 0.05 . 1 . . . . . . . . 6254 1 954 . 1 1 88 88 GLU H H 1 8.528 0.01 . 1 . . . . . . . . 6254 1 955 . 1 1 88 88 GLU HA H 1 4.137 0.01 . 1 . . . . . . . . 6254 1 956 . 1 1 88 88 GLU HB2 H 1 2.085 0.01 . 2 . . . . . . . . 6254 1 957 . 1 1 88 88 GLU HB3 H 1 1.978 0.01 . 2 . . . . . . . . 6254 1 958 . 1 1 88 88 GLU HG2 H 1 2.311 0.01 . 2 . . . . . . . . 6254 1 959 . 1 1 88 88 GLU CA C 13 58.726 0.05 . 1 . . . . . . . . 6254 1 960 . 1 1 88 88 GLU N N 15 124.898 0.05 . 1 . . . . . . . . 6254 1 stop_ save_