data_6999 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6999 _Entry.Title ; KorA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-21 _Entry.Accession_date 2006-02-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'KorA Repressor Protein' _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 Karthik Rajasekar . V. . 6999 2 Lewis Bingle . E.H. . 6999 3 Christopher Thomas . M. . 6999 4 Eva Hyde . I. . 6999 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6999 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 6999 '15N chemical shifts' 107 6999 '1H chemical shifts' 587 6999 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-02-21 update BMRB 'complete entry citation' 6999 1 . . 2006-09-22 2006-02-21 original author 'original release' 6999 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6999 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16944275 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N assignments of the KorA global transcriptional repressor protein from the low copy number IncP-1 plasmid, RK2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 71 _Citation.Page_last 71 _Citation.Year 2006 _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 Karthik Rajasekar . V. . 6999 1 2 Lewis Bingle . 'E. H.' . 6999 1 3 Christopher Thomas . M. . 6999 1 4 Eva Hyde . I. . 6999 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6999 _Assembly.ID 1 _Assembly.Name 'KorA dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 22606 _Assembly.Enzyme_commission_number . _Assembly.Details Homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6999 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 'KorA monomer, chain 1' 1 $KorA_-_Repressor_Protein . . yes native no no 1 . . 6999 1 2 'KorA monomer, chain 2' 1 $KorA_-_Repressor_Protein . . yes native no no 1 . . 6999 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KorA_-_Repressor_Protein _Entity.Sf_category entity _Entity.Sf_framecode KorA_-_Repressor_Protein _Entity.Entry_ID 6999 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KorA _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 ; MKKRLTESQFQEAIQGLEVG QQTIEIARGVLVDGKPQATF ATSLGLTRGAVSQAVHRVWA AFEDKNLPEGYARVTAVLPE HQAYIVRKWEADAKKKQETK R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 11303 _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 2W7N . "Crystal Structure Of Kora Bound To Operator Dna: Insight Into Repressor Cooperation In Rp4 Gene Regulation" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 2 no DBJ BAI47895 . "KorA [Helper vector pRH210]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 3 no DBJ BAI47938 . "KorA [Helper vector pRH220]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 4 no DBJ BAJ06625 . "KorA [Cloning vector pKS800]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 5 no EMBL CAA27596 . "unnamed protein product [Plasmid RK2]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 6 no EMBL CAG30914 . "transcriptional regulator [uncultured bacterium]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 7 no EMBL CAK12746 . "KorA repressor protein [Pseudomonas aeruginosa]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 8 no GB AAK73380 . "KorA [Cloning vector pRK310]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 9 no GB AAO47408 . "regulation of gene expression [Cloning vector pRK404]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 10 no GB AAO47415 . "regulation of gene expression [Cloning vector pRK437]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 11 no GB AAO47422 . "regulation of gene expression [Cloning vector pRK442]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 12 no GB AAO47428 . "regulation of gene expression [Cloning vector pRK442(H)]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 13 no PIR RGECKK . "transcription repressor korA - plasmid RK2" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 14 no REF WP_011205830 . "transcriptional regulator [Pseudomonas aeruginosa]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 15 no REF YP_006941392 . "KorA repressor protein [uncultured bacterium]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 16 no REF YP_006941474 . "KorA, repressor protein [uncultured bacterium]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 17 no REF YP_006941560 . "KorA repressor protein [uncultured bacterium]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 18 no REF YP_009065236 . "transcriptional repressor protein [uncultured bacterium]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 19 no SP P03052 . "RecName: Full=TrfB transcriptional repressor protein; AltName: Full=Regulatory protein KorA [Escherichia coli]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 1 20 no TPE CAJ85740 . "TPA: KorA repressor protein [Birmingham IncP-alpha plasmid]" . . . . . 100.00 101 100.00 100.00 9.44e-66 . . . . 6999 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 . 6999 1 2 . LYS . 6999 1 3 . LYS . 6999 1 4 . ARG . 6999 1 5 . LEU . 6999 1 6 . THR . 6999 1 7 . GLU . 6999 1 8 . SER . 6999 1 9 . GLN . 6999 1 10 . PHE . 6999 1 11 . GLN . 6999 1 12 . GLU . 6999 1 13 . ALA . 6999 1 14 . ILE . 6999 1 15 . GLN . 6999 1 16 . GLY . 6999 1 17 . LEU . 6999 1 18 . GLU . 6999 1 19 . VAL . 6999 1 20 . GLY . 6999 1 21 . GLN . 6999 1 22 . GLN . 6999 1 23 . THR . 6999 1 24 . ILE . 6999 1 25 . GLU . 6999 1 26 . ILE . 6999 1 27 . ALA . 6999 1 28 . ARG . 6999 1 29 . GLY . 6999 1 30 . VAL . 6999 1 31 . LEU . 6999 1 32 . VAL . 6999 1 33 . ASP . 6999 1 34 . GLY . 6999 1 35 . LYS . 6999 1 36 . PRO . 6999 1 37 . GLN . 6999 1 38 . ALA . 6999 1 39 . THR . 6999 1 40 . PHE . 6999 1 41 . ALA . 6999 1 42 . THR . 6999 1 43 . SER . 6999 1 44 . LEU . 6999 1 45 . GLY . 6999 1 46 . LEU . 6999 1 47 . THR . 6999 1 48 . ARG . 6999 1 49 . GLY . 6999 1 50 . ALA . 6999 1 51 . VAL . 6999 1 52 . SER . 6999 1 53 . GLN . 6999 1 54 . ALA . 6999 1 55 . VAL . 6999 1 56 . HIS . 6999 1 57 . ARG . 6999 1 58 . VAL . 6999 1 59 . TRP . 6999 1 60 . ALA . 6999 1 61 . ALA . 6999 1 62 . PHE . 6999 1 63 . GLU . 6999 1 64 . ASP . 6999 1 65 . LYS . 6999 1 66 . ASN . 6999 1 67 . LEU . 6999 1 68 . PRO . 6999 1 69 . GLU . 6999 1 70 . GLY . 6999 1 71 . TYR . 6999 1 72 . ALA . 6999 1 73 . ARG . 6999 1 74 . VAL . 6999 1 75 . THR . 6999 1 76 . ALA . 6999 1 77 . VAL . 6999 1 78 . LEU . 6999 1 79 . PRO . 6999 1 80 . GLU . 6999 1 81 . HIS . 6999 1 82 . GLN . 6999 1 83 . ALA . 6999 1 84 . TYR . 6999 1 85 . ILE . 6999 1 86 . VAL . 6999 1 87 . ARG . 6999 1 88 . LYS . 6999 1 89 . TRP . 6999 1 90 . GLU . 6999 1 91 . ALA . 6999 1 92 . ASP . 6999 1 93 . ALA . 6999 1 94 . LYS . 6999 1 95 . LYS . 6999 1 96 . LYS . 6999 1 97 . GLN . 6999 1 98 . GLU . 6999 1 99 . THR . 6999 1 100 . LYS . 6999 1 101 . ARG . 6999 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 6999 1 . LYS 2 2 6999 1 . LYS 3 3 6999 1 . ARG 4 4 6999 1 . LEU 5 5 6999 1 . THR 6 6 6999 1 . GLU 7 7 6999 1 . SER 8 8 6999 1 . GLN 9 9 6999 1 . PHE 10 10 6999 1 . GLN 11 11 6999 1 . GLU 12 12 6999 1 . ALA 13 13 6999 1 . ILE 14 14 6999 1 . GLN 15 15 6999 1 . GLY 16 16 6999 1 . LEU 17 17 6999 1 . GLU 18 18 6999 1 . VAL 19 19 6999 1 . GLY 20 20 6999 1 . GLN 21 21 6999 1 . GLN 22 22 6999 1 . THR 23 23 6999 1 . ILE 24 24 6999 1 . GLU 25 25 6999 1 . ILE 26 26 6999 1 . ALA 27 27 6999 1 . ARG 28 28 6999 1 . GLY 29 29 6999 1 . VAL 30 30 6999 1 . LEU 31 31 6999 1 . VAL 32 32 6999 1 . ASP 33 33 6999 1 . GLY 34 34 6999 1 . LYS 35 35 6999 1 . PRO 36 36 6999 1 . GLN 37 37 6999 1 . ALA 38 38 6999 1 . THR 39 39 6999 1 . PHE 40 40 6999 1 . ALA 41 41 6999 1 . THR 42 42 6999 1 . SER 43 43 6999 1 . LEU 44 44 6999 1 . GLY 45 45 6999 1 . LEU 46 46 6999 1 . THR 47 47 6999 1 . ARG 48 48 6999 1 . GLY 49 49 6999 1 . ALA 50 50 6999 1 . VAL 51 51 6999 1 . SER 52 52 6999 1 . GLN 53 53 6999 1 . ALA 54 54 6999 1 . VAL 55 55 6999 1 . HIS 56 56 6999 1 . ARG 57 57 6999 1 . VAL 58 58 6999 1 . TRP 59 59 6999 1 . ALA 60 60 6999 1 . ALA 61 61 6999 1 . PHE 62 62 6999 1 . GLU 63 63 6999 1 . ASP 64 64 6999 1 . LYS 65 65 6999 1 . ASN 66 66 6999 1 . LEU 67 67 6999 1 . PRO 68 68 6999 1 . GLU 69 69 6999 1 . GLY 70 70 6999 1 . TYR 71 71 6999 1 . ALA 72 72 6999 1 . ARG 73 73 6999 1 . VAL 74 74 6999 1 . THR 75 75 6999 1 . ALA 76 76 6999 1 . VAL 77 77 6999 1 . LEU 78 78 6999 1 . PRO 79 79 6999 1 . GLU 80 80 6999 1 . HIS 81 81 6999 1 . GLN 82 82 6999 1 . ALA 83 83 6999 1 . TYR 84 84 6999 1 . ILE 85 85 6999 1 . VAL 86 86 6999 1 . ARG 87 87 6999 1 . LYS 88 88 6999 1 . TRP 89 89 6999 1 . GLU 90 90 6999 1 . ALA 91 91 6999 1 . ASP 92 92 6999 1 . ALA 93 93 6999 1 . LYS 94 94 6999 1 . LYS 95 95 6999 1 . LYS 96 96 6999 1 . GLN 97 97 6999 1 . GLU 98 98 6999 1 . THR 99 99 6999 1 . LYS 100 100 6999 1 . ARG 101 101 6999 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 6999 _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 $KorA_-_Repressor_Protein . 28451 organism . 'Klebsiella aerogenes' 'Klebsiella aerogenes' . . Bacteria . Klebsiella aerogenes . . . . . . . . . . . . . . . . . . . . . 6999 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 6999 _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 $KorA_-_Repressor_Protein . 'recombinant technology' . 'E. coli' 'BL21(lambda DE3)' . . . . . . . . . . . . . . . . plasmid . . 'pET 28a' . . . . . . 6999 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6999 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 25 mM Sodium Phosphate buffer at pH 6.2 0.1 mM EDTA ; _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 KorA '[U-13C; U-15N]' . . 1 $KorA_-_Repressor_Protein . . 1 . . mM . . . . 6999 1 2 'Phosphate Buffer' . . . . . . . 25 . . mM . . . . 6999 1 3 EDTA . . . . . . . 0.1 . . mM . . . . 6999 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6999 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 0 pH 6999 1 temperature 303 1 K 6999 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 6999 _Software.ID 1 _Software.Name CCPN _Software.Version 1.0.8 _Software.Details 'for analysis' save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6999 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'for processing' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6999 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6999 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6999 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 2 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 4 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 7 HB(CB)HA(CA)CONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 8 HB(CB)HA(CA)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 9 HC(C)H-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 10 'TOCSY-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 11 (H)CC(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 12 H(CC)(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 14 '(HB) CB (CG CD) HD' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 15 '(HB) CB (CG CD CE) HE' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6999 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6999 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 Water protons . . . . ppm 4.77 external indirect 0.2514 . . . 1 $entry_citation . . 1 $entry_citation 6999 1 H 1 Water protons . . . . ppm 4.77 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6999 1 N 15 Water protons . . . . ppm 4.77 external indirect 0.101329 . . . 1 $entry_citation . . 1 $entry_citation 6999 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6999 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.028 _Assigned_chem_shift_list.Chem_shift_13C_err 0.36 _Assigned_chem_shift_list.Chem_shift_15N_err 0.34 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6999 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN . . 6999 1 2 $NMRPIPE . . 6999 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 2 2 LYS HA H 1 4.248 0.011 . 1 . . . . 2 LYS HA . 6999 1 2 . 1 1 2 2 LYS HB2 H 1 1.702 0.006 . 2 . . . . 2 LYS HB2 . 6999 1 3 . 1 1 2 2 LYS HB3 H 1 1.747 0.000 . 2 . . . . 2 LYS HB3 . 6999 1 4 . 1 1 2 2 LYS HG2 H 1 1.322 0.000 . 2 . . . . 2 LYS HG2 . 6999 1 5 . 1 1 2 2 LYS HG3 H 1 1.393 0.010 . 2 . . . . 2 LYS HG3 . 6999 1 6 . 1 1 2 2 LYS HE2 H 1 2.952 0.000 . 1 . . . . 2 LYS HE2 . 6999 1 7 . 1 1 2 2 LYS CA C 13 56.140 0.000 . 1 . . . . 2 LYS CA . 6999 1 8 . 1 1 2 2 LYS CB C 13 32.880 0.000 . 1 . . . . 2 LYS CB . 6999 1 9 . 1 1 2 2 LYS CG C 13 24.629 0.000 . 1 . . . . 2 LYS CG . 6999 1 10 . 1 1 2 2 LYS CD C 13 29.022 0.000 . 1 . . . . 2 LYS CD . 6999 1 11 . 1 1 2 2 LYS CE C 13 41.938 0.000 . 1 . . . . 2 LYS CE . 6999 1 12 . 1 1 3 3 LYS H H 1 8.094 0.034 . 1 . . . . 3 LYS H . 6999 1 13 . 1 1 3 3 LYS HA H 1 3.840 0.009 . 1 . . . . 3 LYS HA . 6999 1 14 . 1 1 3 3 LYS HB2 H 1 0.894 0.013 . 2 . . . . 3 LYS HB2 . 6999 1 15 . 1 1 3 3 LYS HB3 H 1 1.171 0.005 . 2 . . . . 3 LYS HB3 . 6999 1 16 . 1 1 3 3 LYS HG2 H 1 0.351 0.036 . 1 . . . . 3 LYS HG2 . 6999 1 17 . 1 1 3 3 LYS HD3 H 1 0.752 0.014 . 1 . . . . 3 LYS HD3 . 6999 1 18 . 1 1 3 3 LYS HE2 H 1 1.447 0.000 . 2 . . . . 3 LYS HE2 . 6999 1 19 . 1 1 3 3 LYS HE3 H 1 1.520 0.000 . 2 . . . . 3 LYS HE3 . 6999 1 20 . 1 1 3 3 LYS C C 13 174.807 0.000 . 1 . . . . 3 LYS C . 6999 1 21 . 1 1 3 3 LYS CA C 13 55.982 0.000 . 1 . . . . 3 LYS CA . 6999 1 22 . 1 1 3 3 LYS CB C 13 32.119 0.000 . 1 . . . . 3 LYS CB . 6999 1 23 . 1 1 3 3 LYS CG C 13 24.267 0.013 . 1 . . . . 3 LYS CG . 6999 1 24 . 1 1 3 3 LYS CD C 13 28.650 0.000 . 1 . . . . 3 LYS CD . 6999 1 25 . 1 1 3 3 LYS CE C 13 41.524 0.000 . 1 . . . . 3 LYS CE . 6999 1 26 . 1 1 3 3 LYS N N 15 124.066 0.054 . 1 . . . . 3 LYS N . 6999 1 27 . 1 1 4 4 ARG H H 1 7.815 0.009 . 1 . . . . 4 ARG H . 6999 1 28 . 1 1 4 4 ARG HA H 1 5.045 0.018 . 1 . . . . 4 ARG HA . 6999 1 29 . 1 1 4 4 ARG HB2 H 1 1.624 0.005 . 2 . . . . 4 ARG HB2 . 6999 1 30 . 1 1 4 4 ARG HB3 H 1 1.854 0.010 . 2 . . . . 4 ARG HB3 . 6999 1 31 . 1 1 4 4 ARG HG2 H 1 1.402 0.006 . 2 . . . . 4 ARG HG2 . 6999 1 32 . 1 1 4 4 ARG HG3 H 1 1.604 0.005 . 2 . . . . 4 ARG HG3 . 6999 1 33 . 1 1 4 4 ARG HD2 H 1 3.193 0.011 . 2 . . . . 4 ARG HD2 . 6999 1 34 . 1 1 4 4 ARG HD3 H 1 3.331 0.020 . 2 . . . . 4 ARG HD3 . 6999 1 35 . 1 1 4 4 ARG HE H 1 6.659 0.039 . 1 . . . . 4 ARG HE . 6999 1 36 . 1 1 4 4 ARG C C 13 175.001 0.000 . 1 . . . . 4 ARG C . 6999 1 37 . 1 1 4 4 ARG CA C 13 53.668 0.046 . 1 . . . . 4 ARG CA . 6999 1 38 . 1 1 4 4 ARG CB C 13 32.961 0.000 . 1 . . . . 4 ARG CB . 6999 1 39 . 1 1 4 4 ARG CG C 13 26.479 0.000 . 1 . . . . 4 ARG CG . 6999 1 40 . 1 1 4 4 ARG CD C 13 45.225 0.000 . 1 . . . . 4 ARG CD . 6999 1 41 . 1 1 4 4 ARG N N 15 121.506 0.087 . 1 . . . . 4 ARG N . 6999 1 42 . 1 1 4 4 ARG NE N 15 112.399 0.040 . 1 . . . . 4 ARG NE . 6999 1 43 . 1 1 5 5 LEU H H 1 8.091 0.009 . 1 . . . . 5 LEU H . 6999 1 44 . 1 1 5 5 LEU HA H 1 4.827 0.002 . 1 . . . . 5 LEU HA . 6999 1 45 . 1 1 5 5 LEU HB2 H 1 1.231 0.004 . 2 . . . . 5 LEU HB2 . 6999 1 46 . 1 1 5 5 LEU HB3 H 1 1.327 0.023 . 2 . . . . 5 LEU HB3 . 6999 1 47 . 1 1 5 5 LEU HG H 1 1.474 0.000 . 1 . . . . 5 LEU HG . 6999 1 48 . 1 1 5 5 LEU HD11 H 1 0.033 0.005 . 2 . . . . 5 LEU HD1 . 6999 1 49 . 1 1 5 5 LEU HD12 H 1 0.033 0.005 . 2 . . . . 5 LEU HD1 . 6999 1 50 . 1 1 5 5 LEU HD13 H 1 0.033 0.005 . 2 . . . . 5 LEU HD1 . 6999 1 51 . 1 1 5 5 LEU HD21 H 1 0.609 0.014 . 2 . . . . 5 LEU HD2 . 6999 1 52 . 1 1 5 5 LEU HD22 H 1 0.609 0.014 . 2 . . . . 5 LEU HD2 . 6999 1 53 . 1 1 5 5 LEU HD23 H 1 0.609 0.014 . 2 . . . . 5 LEU HD2 . 6999 1 54 . 1 1 5 5 LEU C C 13 176.931 0.000 . 1 . . . . 5 LEU C . 6999 1 55 . 1 1 5 5 LEU CA C 13 53.013 0.021 . 1 . . . . 5 LEU CA . 6999 1 56 . 1 1 5 5 LEU CB C 13 45.810 0.000 . 1 . . . . 5 LEU CB . 6999 1 57 . 1 1 5 5 LEU CG C 13 26.358 0.000 . 1 . . . . 5 LEU CG . 6999 1 58 . 1 1 5 5 LEU CD1 C 13 22.448 0.030 . 1 . . . . 5 LEU CD1 . 6999 1 59 . 1 1 5 5 LEU N N 15 120.210 0.045 . 1 . . . . 5 LEU N . 6999 1 60 . 1 1 6 6 THR H H 1 8.616 0.016 . 1 . . . . 6 THR H . 6999 1 61 . 1 1 6 6 THR HA H 1 4.494 0.013 . 1 . . . . 6 THR HA . 6999 1 62 . 1 1 6 6 THR HB H 1 4.753 0.017 . 1 . . . . 6 THR HB . 6999 1 63 . 1 1 6 6 THR HG21 H 1 1.285 0.009 . 1 . . . . 6 THR HG1 . 6999 1 64 . 1 1 6 6 THR HG22 H 1 1.285 0.009 . 1 . . . . 6 THR HG1 . 6999 1 65 . 1 1 6 6 THR HG23 H 1 1.285 0.009 . 1 . . . . 6 THR HG1 . 6999 1 66 . 1 1 6 6 THR C C 13 175.694 0.000 . 1 . . . . 6 THR C . 6999 1 67 . 1 1 6 6 THR CA C 13 60.565 0.042 . 1 . . . . 6 THR CA . 6999 1 68 . 1 1 6 6 THR CB C 13 70.733 0.014 . 1 . . . . 6 THR CB . 6999 1 69 . 1 1 6 6 THR CG2 C 13 21.694 0.000 . 1 . . . . 6 THR CG2 . 6999 1 70 . 1 1 6 6 THR N N 15 110.648 0.059 . 1 . . . . 6 THR N . 6999 1 71 . 1 1 7 7 GLU H H 1 9.147 0.010 . 1 . . . . 7 GLU H . 6999 1 72 . 1 1 7 7 GLU HA H 1 4.040 0.004 . 1 . . . . 7 GLU HA . 6999 1 73 . 1 1 7 7 GLU HB2 H 1 2.015 0.011 . 2 . . . . 7 GLU HB2 . 6999 1 74 . 1 1 7 7 GLU HB3 H 1 2.172 0.012 . 2 . . . . 7 GLU HB3 . 6999 1 75 . 1 1 7 7 GLU HG2 H 1 2.419 0.084 . 2 . . . . 7 GLU HG2 . 6999 1 76 . 1 1 7 7 GLU HG3 H 1 2.341 0.064 . 2 . . . . 7 GLU HG3 . 6999 1 77 . 1 1 7 7 GLU C C 13 178.916 0.000 . 1 . . . . 7 GLU C . 6999 1 78 . 1 1 7 7 GLU CA C 13 60.182 0.003 . 1 . . . . 7 GLU CA . 6999 1 79 . 1 1 7 7 GLU CB C 13 28.988 0.040 . 1 . . . . 7 GLU CB . 6999 1 80 . 1 1 7 7 GLU CG C 13 35.684 0.000 . 1 . . . . 7 GLU CG . 6999 1 81 . 1 1 7 7 GLU N N 15 121.349 0.072 . 1 . . . . 7 GLU N . 6999 1 82 . 1 1 8 8 SER H H 1 8.402 0.014 . 1 . . . . 8 SER H . 6999 1 83 . 1 1 8 8 SER HA H 1 4.239 0.002 . 1 . . . . 8 SER HA . 6999 1 84 . 1 1 8 8 SER HB3 H 1 3.886 0.002 . 1 . . . . 8 SER HB3 . 6999 1 85 . 1 1 8 8 SER C C 13 177.963 0.000 . 1 . . . . 8 SER C . 6999 1 86 . 1 1 8 8 SER CA C 13 61.696 0.000 . 1 . . . . 8 SER CA . 6999 1 87 . 1 1 8 8 SER CB C 13 62.073 0.000 . 1 . . . . 8 SER CB . 6999 1 88 . 1 1 8 8 SER N N 15 112.803 0.064 . 1 . . . . 8 SER N . 6999 1 89 . 1 1 9 9 GLN H H 1 7.677 0.009 . 1 . . . . 9 GLN H . 6999 1 90 . 1 1 9 9 GLN HA H 1 4.143 0.007 . 1 . . . . 9 GLN HA . 6999 1 91 . 1 1 9 9 GLN HB3 H 1 1.638 0.000 . 1 . . . . 9 GLN HB3 . 6999 1 92 . 1 1 9 9 GLN HE21 H 1 6.827 0.000 . 2 . . . . 9 GLN HE21 . 6999 1 93 . 1 1 9 9 GLN HE22 H 1 7.745 0.000 . 2 . . . . 9 GLN HE22 . 6999 1 94 . 1 1 9 9 GLN C C 13 178.701 0.000 . 1 . . . . 9 GLN C . 6999 1 95 . 1 1 9 9 GLN CA C 13 58.438 0.015 . 1 . . . . 9 GLN CA . 6999 1 96 . 1 1 9 9 GLN CB C 13 29.751 0.034 . 1 . . . . 9 GLN CB . 6999 1 97 . 1 1 9 9 GLN CG C 13 34.480 0.000 . 1 . . . . 9 GLN CG . 6999 1 98 . 1 1 9 9 GLN N N 15 121.975 0.059 . 1 . . . . 9 GLN N . 6999 1 99 . 1 1 9 9 GLN NE2 N 15 111.798 0.000 . 1 . . . . 9 GLN NE2 . 6999 1 100 . 1 1 10 10 PHE H H 1 8.800 0.014 . 1 . . . . 10 PHE H . 6999 1 101 . 1 1 10 10 PHE HA H 1 3.746 0.023 . 1 . . . . 10 PHE HA . 6999 1 102 . 1 1 10 10 PHE HB2 H 1 2.769 0.028 . 2 . . . . 10 PHE HB2 . 6999 1 103 . 1 1 10 10 PHE HB3 H 1 2.764 0.022 . 2 . . . . 10 PHE HB3 . 6999 1 104 . 1 1 10 10 PHE HD1 H 1 6.992 0.004 . 1 . . . . 10 PHE HD . 6999 1 105 . 1 1 10 10 PHE HD2 H 1 6.992 0.004 . 1 . . . . 10 PHE HD . 6999 1 106 . 1 1 10 10 PHE HE1 H 1 7.139 0.002 . 1 . . . . 10 PHE HE . 6999 1 107 . 1 1 10 10 PHE HE2 H 1 7.139 0.002 . 1 . . . . 10 PHE HE . 6999 1 108 . 1 1 10 10 PHE HZ H 1 7.579 0.003 . 1 . . . . 10 PHE HZ . 6999 1 109 . 1 1 10 10 PHE C C 13 176.192 0.000 . 1 . . . . 10 PHE C . 6999 1 110 . 1 1 10 10 PHE CA C 13 62.209 0.033 . 1 . . . . 10 PHE CA . 6999 1 111 . 1 1 10 10 PHE CB C 13 39.945 0.000 . 1 . . . . 10 PHE CB . 6999 1 112 . 1 1 10 10 PHE CD1 C 13 131.569 0.010 . 1 . . . . 10 PHE CD . 6999 1 113 . 1 1 10 10 PHE CD2 C 13 131.569 0.010 . 1 . . . . 10 PHE CD . 6999 1 114 . 1 1 10 10 PHE CE1 C 13 129.648 0.026 . 1 . . . . 10 PHE CE . 6999 1 115 . 1 1 10 10 PHE CE2 C 13 129.648 0.026 . 1 . . . . 10 PHE CE . 6999 1 116 . 1 1 10 10 PHE CZ C 13 129.674 0.021 . 1 . . . . 10 PHE CZ . 6999 1 117 . 1 1 10 10 PHE N N 15 120.632 0.083 . 1 . . . . 10 PHE N . 6999 1 118 . 1 1 11 11 GLN H H 1 8.413 0.017 . 1 . . . . 11 GLN H . 6999 1 119 . 1 1 11 11 GLN HA H 1 3.804 0.026 . 1 . . . . 11 GLN HA . 6999 1 120 . 1 1 11 11 GLN HB2 H 1 2.140 0.000 . 2 . . . . 11 GLN HB2 . 6999 1 121 . 1 1 11 11 GLN HB3 H 1 2.180 0.010 . 2 . . . . 11 GLN HB3 . 6999 1 122 . 1 1 11 11 GLN HG2 H 1 2.640 0.006 . 1 . . . . 11 GLN HG2 . 6999 1 123 . 1 1 11 11 GLN HE21 H 1 6.827 0.001 . 2 . . . . 11 GLN HE21 . 6999 1 124 . 1 1 11 11 GLN HE22 H 1 7.881 0.007 . 2 . . . . 11 GLN HE22 . 6999 1 125 . 1 1 11 11 GLN C C 13 178.870 0.000 . 1 . . . . 11 GLN C . 6999 1 126 . 1 1 11 11 GLN CA C 13 58.486 0.034 . 1 . . . . 11 GLN CA . 6999 1 127 . 1 1 11 11 GLN CB C 13 28.043 0.032 . 1 . . . . 11 GLN CB . 6999 1 128 . 1 1 11 11 GLN CG C 13 33.819 0.000 . 1 . . . . 11 GLN CG . 6999 1 129 . 1 1 11 11 GLN N N 15 115.862 0.073 . 1 . . . . 11 GLN N . 6999 1 130 . 1 1 11 11 GLN NE2 N 15 111.202 0.098 . 1 . . . . 11 GLN NE2 . 6999 1 131 . 1 1 12 12 GLU H H 1 7.598 0.005 . 1 . . . . 12 GLU H . 6999 1 132 . 1 1 12 12 GLU HA H 1 4.030 0.009 . 1 . . . . 12 GLU HA . 6999 1 133 . 1 1 12 12 GLU HB2 H 1 2.125 0.033 . 2 . . . . 12 GLU HB2 . 6999 1 134 . 1 1 12 12 GLU HB3 H 1 2.207 0.008 . 2 . . . . 12 GLU HB3 . 6999 1 135 . 1 1 12 12 GLU HG3 H 1 2.399 0.001 . 1 . . . . 12 GLU HG3 . 6999 1 136 . 1 1 12 12 GLU C C 13 178.827 0.000 . 1 . . . . 12 GLU C . 6999 1 137 . 1 1 12 12 GLU CA C 13 58.910 0.000 . 1 . . . . 12 GLU CA . 6999 1 138 . 1 1 12 12 GLU CB C 13 29.679 0.000 . 1 . . . . 12 GLU CB . 6999 1 139 . 1 1 12 12 GLU CG C 13 36.324 0.000 . 1 . . . . 12 GLU CG . 6999 1 140 . 1 1 12 12 GLU N N 15 117.501 0.061 . 1 . . . . 12 GLU N . 6999 1 141 . 1 1 13 13 ALA H H 1 8.088 0.009 . 1 . . . . 13 ALA H . 6999 1 142 . 1 1 13 13 ALA HA H 1 3.850 0.020 . 1 . . . . 13 ALA HA . 6999 1 143 . 1 1 13 13 ALA HB1 H 1 1.368 0.005 . 1 . . . . 13 ALA HB . 6999 1 144 . 1 1 13 13 ALA HB2 H 1 1.368 0.005 . 1 . . . . 13 ALA HB . 6999 1 145 . 1 1 13 13 ALA HB3 H 1 1.368 0.005 . 1 . . . . 13 ALA HB . 6999 1 146 . 1 1 13 13 ALA C C 13 178.721 0.000 . 1 . . . . 13 ALA C . 6999 1 147 . 1 1 13 13 ALA CA C 13 55.255 0.000 . 1 . . . . 13 ALA CA . 6999 1 148 . 1 1 13 13 ALA CB C 13 18.434 0.000 . 1 . . . . 13 ALA CB . 6999 1 149 . 1 1 13 13 ALA N N 15 121.317 0.062 . 1 . . . . 13 ALA N . 6999 1 150 . 1 1 14 14 ILE H H 1 7.291 0.007 . 1 . . . . 14 ILE H . 6999 1 151 . 1 1 14 14 ILE HA H 1 4.054 0.014 . 1 . . . . 14 ILE HA . 6999 1 152 . 1 1 14 14 ILE HB H 1 1.893 0.041 . 1 . . . . 14 ILE HB . 6999 1 153 . 1 1 14 14 ILE HG12 H 1 1.192 0.007 . 2 . . . . 14 ILE HG12 . 6999 1 154 . 1 1 14 14 ILE HG13 H 1 1.044 0.005 . 2 . . . . 14 ILE HG13 . 6999 1 155 . 1 1 14 14 ILE HG21 H 1 0.268 0.006 . 1 . . . . 14 ILE HG2 . 6999 1 156 . 1 1 14 14 ILE HG22 H 1 0.268 0.006 . 1 . . . . 14 ILE HG2 . 6999 1 157 . 1 1 14 14 ILE HG23 H 1 0.268 0.006 . 1 . . . . 14 ILE HG2 . 6999 1 158 . 1 1 14 14 ILE HD11 H 1 0.705 0.011 . 1 . . . . 14 ILE HD1 . 6999 1 159 . 1 1 14 14 ILE HD12 H 1 0.705 0.011 . 1 . . . . 14 ILE HD1 . 6999 1 160 . 1 1 14 14 ILE HD13 H 1 0.705 0.011 . 1 . . . . 14 ILE HD1 . 6999 1 161 . 1 1 14 14 ILE C C 13 177.559 0.000 . 1 . . . . 14 ILE C . 6999 1 162 . 1 1 14 14 ILE CA C 13 61.832 0.004 . 1 . . . . 14 ILE CA . 6999 1 163 . 1 1 14 14 ILE CB C 13 37.931 0.036 . 1 . . . . 14 ILE CB . 6999 1 164 . 1 1 14 14 ILE CG1 C 13 25.207 0.000 . 1 . . . . 14 ILE CG1 . 6999 1 165 . 1 1 14 14 ILE CG2 C 13 17.909 0.017 . 1 . . . . 14 ILE CG2 . 6999 1 166 . 1 1 14 14 ILE CD1 C 13 14.209 0.036 . 1 . . . . 14 ILE CD1 . 6999 1 167 . 1 1 14 14 ILE N N 15 104.825 0.058 . 1 . . . . 14 ILE N . 6999 1 168 . 1 1 15 15 GLN H H 1 7.162 0.006 . 1 . . . . 15 GLN H . 6999 1 169 . 1 1 15 15 GLN HA H 1 4.021 0.011 . 1 . . . . 15 GLN HA . 6999 1 170 . 1 1 15 15 GLN HB2 H 1 2.086 0.006 . 2 . . . . 15 GLN HB2 . 6999 1 171 . 1 1 15 15 GLN HB3 H 1 2.115 0.000 . 2 . . . . 15 GLN HB3 . 6999 1 172 . 1 1 15 15 GLN HG2 H 1 2.480 0.006 . 2 . . . . 15 GLN HG2 . 6999 1 173 . 1 1 15 15 GLN HG3 H 1 2.283 0.000 . 2 . . . . 15 GLN HG3 . 6999 1 174 . 1 1 15 15 GLN HE21 H 1 7.514 0.006 . 2 . . . . 15 GLN HE21 . 6999 1 175 . 1 1 15 15 GLN HE22 H 1 6.848 0.002 . 2 . . . . 15 GLN HE22 . 6999 1 176 . 1 1 15 15 GLN C C 13 177.215 0.000 . 1 . . . . 15 GLN C . 6999 1 177 . 1 1 15 15 GLN CA C 13 57.530 0.008 . 1 . . . . 15 GLN CA . 6999 1 178 . 1 1 15 15 GLN CB C 13 28.063 0.000 . 1 . . . . 15 GLN CB . 6999 1 179 . 1 1 15 15 GLN CG C 13 33.401 0.000 . 1 . . . . 15 GLN CG . 6999 1 180 . 1 1 15 15 GLN N N 15 123.668 0.096 . 1 . . . . 15 GLN N . 6999 1 181 . 1 1 15 15 GLN NE2 N 15 111.862 0.013 . 1 . . . . 15 GLN NE2 . 6999 1 182 . 1 1 16 16 GLY H H 1 8.888 0.020 . 1 . . . . 16 GLY H . 6999 1 183 . 1 1 16 16 GLY HA2 H 1 3.812 0.022 . 2 . . . . 16 GLY HA2 . 6999 1 184 . 1 1 16 16 GLY HA3 H 1 4.028 0.005 . 2 . . . . 16 GLY HA3 . 6999 1 185 . 1 1 16 16 GLY C C 13 173.958 0.000 . 1 . . . . 16 GLY C . 6999 1 186 . 1 1 16 16 GLY CA C 13 45.490 0.011 . 1 . . . . 16 GLY CA . 6999 1 187 . 1 1 16 16 GLY N N 15 114.077 0.083 . 1 . . . . 16 GLY N . 6999 1 188 . 1 1 17 17 LEU H H 1 7.551 0.006 . 1 . . . . 17 LEU H . 6999 1 189 . 1 1 17 17 LEU HA H 1 4.334 0.005 . 1 . . . . 17 LEU HA . 6999 1 190 . 1 1 17 17 LEU HB2 H 1 1.572 0.007 . 2 . . . . 17 LEU HB2 . 6999 1 191 . 1 1 17 17 LEU HB3 H 1 1.517 0.022 . 2 . . . . 17 LEU HB3 . 6999 1 192 . 1 1 17 17 LEU HG H 1 1.757 0.000 . 1 . . . . 17 LEU HG . 6999 1 193 . 1 1 17 17 LEU HD11 H 1 0.745 0.024 . 2 . . . . 17 LEU HD1 . 6999 1 194 . 1 1 17 17 LEU HD12 H 1 0.745 0.024 . 2 . . . . 17 LEU HD1 . 6999 1 195 . 1 1 17 17 LEU HD13 H 1 0.745 0.024 . 2 . . . . 17 LEU HD1 . 6999 1 196 . 1 1 17 17 LEU HD21 H 1 0.819 0.023 . 2 . . . . 17 LEU HD2 . 6999 1 197 . 1 1 17 17 LEU HD22 H 1 0.819 0.023 . 2 . . . . 17 LEU HD2 . 6999 1 198 . 1 1 17 17 LEU HD23 H 1 0.819 0.023 . 2 . . . . 17 LEU HD2 . 6999 1 199 . 1 1 17 17 LEU C C 13 176.878 0.000 . 1 . . . . 17 LEU C . 6999 1 200 . 1 1 17 17 LEU CA C 13 54.286 0.015 . 1 . . . . 17 LEU CA . 6999 1 201 . 1 1 17 17 LEU CB C 13 43.533 0.004 . 1 . . . . 17 LEU CB . 6999 1 202 . 1 1 17 17 LEU CG C 13 26.688 0.000 . 1 . . . . 17 LEU CG . 6999 1 203 . 1 1 17 17 LEU CD1 C 13 24.501 0.000 . 1 . . . . 17 LEU CD1 . 6999 1 204 . 1 1 17 17 LEU N N 15 120.889 0.052 . 1 . . . . 17 LEU N . 6999 1 205 . 1 1 18 18 GLU H H 1 8.756 0.016 . 1 . . . . 18 GLU H . 6999 1 206 . 1 1 18 18 GLU HA H 1 4.467 0.010 . 1 . . . . 18 GLU HA . 6999 1 207 . 1 1 18 18 GLU HB3 H 1 1.906 0.007 . 1 . . . . 18 GLU HB3 . 6999 1 208 . 1 1 18 18 GLU HG3 H 1 2.063 0.005 . 1 . . . . 18 GLU HG3 . 6999 1 209 . 1 1 18 18 GLU C C 13 175.572 0.000 . 1 . . . . 18 GLU C . 6999 1 210 . 1 1 18 18 GLU CA C 13 55.565 0.073 . 1 . . . . 18 GLU CA . 6999 1 211 . 1 1 18 18 GLU CB C 13 28.072 0.000 . 1 . . . . 18 GLU CB . 6999 1 212 . 1 1 18 18 GLU CG C 13 35.933 0.000 . 1 . . . . 18 GLU CG . 6999 1 213 . 1 1 18 18 GLU N N 15 126.286 0.026 . 1 . . . . 18 GLU N . 6999 1 214 . 1 1 19 19 VAL H H 1 7.562 0.009 . 1 . . . . 19 VAL H . 6999 1 215 . 1 1 19 19 VAL HA H 1 4.598 0.012 . 1 . . . . 19 VAL HA . 6999 1 216 . 1 1 19 19 VAL HB H 1 2.174 0.014 . 1 . . . . 19 VAL HB . 6999 1 217 . 1 1 19 19 VAL HG11 H 1 0.858 0.035 . 2 . . . . 19 VAL HG1 . 6999 1 218 . 1 1 19 19 VAL HG12 H 1 0.858 0.035 . 2 . . . . 19 VAL HG1 . 6999 1 219 . 1 1 19 19 VAL HG13 H 1 0.858 0.035 . 2 . . . . 19 VAL HG1 . 6999 1 220 . 1 1 19 19 VAL HG21 H 1 0.798 0.034 . 2 . . . . 19 VAL HG2 . 6999 1 221 . 1 1 19 19 VAL HG22 H 1 0.798 0.034 . 2 . . . . 19 VAL HG2 . 6999 1 222 . 1 1 19 19 VAL HG23 H 1 0.798 0.034 . 2 . . . . 19 VAL HG2 . 6999 1 223 . 1 1 19 19 VAL C C 13 177.889 0.000 . 1 . . . . 19 VAL C . 6999 1 224 . 1 1 19 19 VAL CA C 13 59.198 0.039 . 1 . . . . 19 VAL CA . 6999 1 225 . 1 1 19 19 VAL CB C 13 34.881 0.026 . 1 . . . . 19 VAL CB . 6999 1 226 . 1 1 19 19 VAL CG1 C 13 18.555 0.000 . 2 . . . . 19 VAL CG1 . 6999 1 227 . 1 1 19 19 VAL CG2 C 13 22.101 0.000 . 2 . . . . 19 VAL CG2 . 6999 1 228 . 1 1 19 19 VAL N N 15 115.750 0.048 . 1 . . . . 19 VAL N . 6999 1 229 . 1 1 20 20 GLY H H 1 8.483 0.014 . 1 . . . . 20 GLY H . 6999 1 230 . 1 1 20 20 GLY HA2 H 1 4.036 0.007 . 2 . . . . 20 GLY HA2 . 6999 1 231 . 1 1 20 20 GLY HA3 H 1 4.218 0.004 . 2 . . . . 20 GLY HA3 . 6999 1 232 . 1 1 20 20 GLY C C 13 174.350 0.000 . 1 . . . . 20 GLY C . 6999 1 233 . 1 1 20 20 GLY CA C 13 44.364 0.001 . 1 . . . . 20 GLY CA . 6999 1 234 . 1 1 20 20 GLY N N 15 109.234 0.061 . 1 . . . . 20 GLY N . 6999 1 235 . 1 1 21 21 GLN H H 1 8.530 0.010 . 1 . . . . 21 GLN H . 6999 1 236 . 1 1 21 21 GLN HA H 1 3.951 0.007 . 1 . . . . 21 GLN HA . 6999 1 237 . 1 1 21 21 GLN C C 13 178.203 0.000 . 1 . . . . 21 GLN C . 6999 1 238 . 1 1 21 21 GLN CA C 13 58.919 0.000 . 1 . . . . 21 GLN CA . 6999 1 239 . 1 1 21 21 GLN CB C 13 28.421 0.000 . 1 . . . . 21 GLN CB . 6999 1 240 . 1 1 21 21 GLN N N 15 119.305 0.073 . 1 . . . . 21 GLN N . 6999 1 241 . 1 1 22 22 GLN HA H 1 4.167 0.009 . 1 . . . . 22 GLN HA . 6999 1 242 . 1 1 22 22 GLN HB3 H 1 2.060 0.005 . 1 . . . . 22 GLN HB3 . 6999 1 243 . 1 1 22 22 GLN HE21 H 1 6.992 0.001 . 2 . . . . 22 GLN HE21 . 6999 1 244 . 1 1 22 22 GLN HE22 H 1 7.725 0.002 . 2 . . . . 22 GLN HE22 . 6999 1 245 . 1 1 22 22 GLN C C 13 177.670 0.000 . 1 . . . . 22 GLN C . 6999 1 246 . 1 1 22 22 GLN CA C 13 59.561 0.000 . 1 . . . . 22 GLN CA . 6999 1 247 . 1 1 22 22 GLN CB C 13 29.438 0.000 . 1 . . . . 22 GLN CB . 6999 1 248 . 1 1 22 22 GLN CG C 13 34.920 0.000 . 1 . . . . 22 GLN CG . 6999 1 249 . 1 1 22 22 GLN NE2 N 15 111.825 0.031 . 1 . . . . 22 GLN NE2 . 6999 1 250 . 1 1 23 23 THR H H 1 7.562 0.009 . 1 . . . . 23 THR H . 6999 1 251 . 1 1 23 23 THR HA H 1 3.802 0.010 . 1 . . . . 23 THR HA . 6999 1 252 . 1 1 23 23 THR HB H 1 4.289 0.011 . 1 . . . . 23 THR HB . 6999 1 253 . 1 1 23 23 THR HG21 H 1 1.179 0.011 . 1 . . . . 23 THR HG1 . 6999 1 254 . 1 1 23 23 THR HG22 H 1 1.179 0.011 . 1 . . . . 23 THR HG1 . 6999 1 255 . 1 1 23 23 THR HG23 H 1 1.179 0.011 . 1 . . . . 23 THR HG1 . 6999 1 256 . 1 1 23 23 THR C C 13 175.514 0.000 . 1 . . . . 23 THR C . 6999 1 257 . 1 1 23 23 THR CA C 13 66.997 0.000 . 1 . . . . 23 THR CA . 6999 1 258 . 1 1 23 23 THR CB C 13 68.446 0.045 . 1 . . . . 23 THR CB . 6999 1 259 . 1 1 23 23 THR CG2 C 13 21.679 0.000 . 1 . . . . 23 THR CG2 . 6999 1 260 . 1 1 23 23 THR N N 15 115.648 0.105 . 1 . . . . 23 THR N . 6999 1 261 . 1 1 24 24 ILE H H 1 7.444 0.009 . 1 . . . . 24 ILE H . 6999 1 262 . 1 1 24 24 ILE HA H 1 3.561 0.005 . 1 . . . . 24 ILE HA . 6999 1 263 . 1 1 24 24 ILE HB H 1 2.129 0.016 . 1 . . . . 24 ILE HB . 6999 1 264 . 1 1 24 24 ILE HG12 H 1 1.642 0.017 . 2 . . . . 24 ILE HG12 . 6999 1 265 . 1 1 24 24 ILE HG13 H 1 1.647 0.023 . 2 . . . . 24 ILE HG13 . 6999 1 266 . 1 1 24 24 ILE HG21 H 1 1.077 0.031 . 1 . . . . 24 ILE HG2 . 6999 1 267 . 1 1 24 24 ILE HG22 H 1 1.077 0.031 . 1 . . . . 24 ILE HG2 . 6999 1 268 . 1 1 24 24 ILE HG23 H 1 1.077 0.031 . 1 . . . . 24 ILE HG2 . 6999 1 269 . 1 1 24 24 ILE HD11 H 1 0.759 0.025 . 1 . . . . 24 ILE HD1 . 6999 1 270 . 1 1 24 24 ILE HD12 H 1 0.759 0.025 . 1 . . . . 24 ILE HD1 . 6999 1 271 . 1 1 24 24 ILE HD13 H 1 0.759 0.025 . 1 . . . . 24 ILE HD1 . 6999 1 272 . 1 1 24 24 ILE C C 13 177.270 0.000 . 1 . . . . 24 ILE C . 6999 1 273 . 1 1 24 24 ILE CA C 13 65.385 0.030 . 1 . . . . 24 ILE CA . 6999 1 274 . 1 1 24 24 ILE CB C 13 37.135 0.041 . 1 . . . . 24 ILE CB . 6999 1 275 . 1 1 24 24 ILE CG1 C 13 28.932 0.000 . 1 . . . . 24 ILE CG1 . 6999 1 276 . 1 1 24 24 ILE CG2 C 13 17.546 0.000 . 1 . . . . 24 ILE CG2 . 6999 1 277 . 1 1 24 24 ILE CD1 C 13 12.085 0.043 . 1 . . . . 24 ILE CD1 . 6999 1 278 . 1 1 24 24 ILE N N 15 119.870 0.059 . 1 . . . . 24 ILE N . 6999 1 279 . 1 1 25 25 GLU H H 1 8.294 0.015 . 1 . . . . 25 GLU H . 6999 1 280 . 1 1 25 25 GLU HA H 1 4.024 0.045 . 1 . . . . 25 GLU HA . 6999 1 281 . 1 1 25 25 GLU HB2 H 1 2.134 0.037 . 2 . . . . 25 GLU HB2 . 6999 1 282 . 1 1 25 25 GLU HB3 H 1 2.186 0.004 . 2 . . . . 25 GLU HB3 . 6999 1 283 . 1 1 25 25 GLU HG2 H 1 2.295 0.000 . 2 . . . . 25 GLU HG2 . 6999 1 284 . 1 1 25 25 GLU HG3 H 1 2.427 0.000 . 2 . . . . 25 GLU HG3 . 6999 1 285 . 1 1 25 25 GLU C C 13 180.489 0.000 . 1 . . . . 25 GLU C . 6999 1 286 . 1 1 25 25 GLU CA C 13 56.900 2.289 . 1 . . . . 25 GLU CA . 6999 1 287 . 1 1 25 25 GLU CB C 13 29.463 0.012 . 1 . . . . 25 GLU CB . 6999 1 288 . 1 1 25 25 GLU CG C 13 36.189 0.000 . 1 . . . . 25 GLU CG . 6999 1 289 . 1 1 25 25 GLU N N 15 119.269 0.077 . 1 . . . . 25 GLU N . 6999 1 290 . 1 1 26 26 ILE H H 1 8.105 0.010 . 1 . . . . 26 ILE H . 6999 1 291 . 1 1 26 26 ILE HA H 1 2.704 0.007 . 1 . . . . 26 ILE HA . 6999 1 292 . 1 1 26 26 ILE HB H 1 1.562 0.014 . 1 . . . . 26 ILE HB . 6999 1 293 . 1 1 26 26 ILE HG12 H 1 1.075 0.014 . 2 . . . . 26 ILE HG12 . 6999 1 294 . 1 1 26 26 ILE HG13 H 1 1.207 0.011 . 2 . . . . 26 ILE HG13 . 6999 1 295 . 1 1 26 26 ILE HG21 H 1 0.634 0.006 . 1 . . . . 26 ILE HG2 . 6999 1 296 . 1 1 26 26 ILE HG22 H 1 0.634 0.006 . 1 . . . . 26 ILE HG2 . 6999 1 297 . 1 1 26 26 ILE HG23 H 1 0.634 0.006 . 1 . . . . 26 ILE HG2 . 6999 1 298 . 1 1 26 26 ILE HD11 H 1 0.709 0.014 . 1 . . . . 26 ILE HD1 . 6999 1 299 . 1 1 26 26 ILE HD12 H 1 0.709 0.014 . 1 . . . . 26 ILE HD1 . 6999 1 300 . 1 1 26 26 ILE HD13 H 1 0.709 0.014 . 1 . . . . 26 ILE HD1 . 6999 1 301 . 1 1 26 26 ILE C C 13 176.804 0.000 . 1 . . . . 26 ILE C . 6999 1 302 . 1 1 26 26 ILE CA C 13 64.448 0.027 . 1 . . . . 26 ILE CA . 6999 1 303 . 1 1 26 26 ILE CB C 13 38.856 0.033 . 1 . . . . 26 ILE CB . 6999 1 304 . 1 1 26 26 ILE CG1 C 13 28.528 0.000 . 1 . . . . 26 ILE CG1 . 6999 1 305 . 1 1 26 26 ILE CG2 C 13 18.627 0.038 . 1 . . . . 26 ILE CG2 . 6999 1 306 . 1 1 26 26 ILE CD1 C 13 14.669 0.002 . 1 . . . . 26 ILE CD1 . 6999 1 307 . 1 1 26 26 ILE N N 15 120.031 0.075 . 1 . . . . 26 ILE N . 6999 1 308 . 1 1 27 27 ALA H H 1 8.354 0.013 . 1 . . . . 27 ALA H . 6999 1 309 . 1 1 27 27 ALA HA H 1 3.868 0.010 . 1 . . . . 27 ALA HA . 6999 1 310 . 1 1 27 27 ALA HB1 H 1 1.654 0.014 . 1 . . . . 27 ALA HB . 6999 1 311 . 1 1 27 27 ALA HB2 H 1 1.654 0.014 . 1 . . . . 27 ALA HB . 6999 1 312 . 1 1 27 27 ALA HB3 H 1 1.654 0.014 . 1 . . . . 27 ALA HB . 6999 1 313 . 1 1 27 27 ALA C C 13 179.163 0.000 . 1 . . . . 27 ALA C . 6999 1 314 . 1 1 27 27 ALA CA C 13 55.721 0.009 . 1 . . . . 27 ALA CA . 6999 1 315 . 1 1 27 27 ALA CB C 13 18.654 0.083 . 1 . . . . 27 ALA CB . 6999 1 316 . 1 1 27 27 ALA N N 15 118.951 0.060 . 1 . . . . 27 ALA N . 6999 1 317 . 1 1 28 28 ARG H H 1 9.088 0.017 . 1 . . . . 28 ARG H . 6999 1 318 . 1 1 28 28 ARG HA H 1 2.883 0.010 . 1 . . . . 28 ARG HA . 6999 1 319 . 1 1 28 28 ARG HB3 H 1 1.517 0.007 . 1 . . . . 28 ARG HB3 . 6999 1 320 . 1 1 28 28 ARG HD3 H 1 3.098 0.004 . 1 . . . . 28 ARG HD3 . 6999 1 321 . 1 1 28 28 ARG C C 13 178.990 0.009 . 1 . . . . 28 ARG C . 6999 1 322 . 1 1 28 28 ARG CA C 13 59.683 0.019 . 1 . . . . 28 ARG CA . 6999 1 323 . 1 1 28 28 ARG CB C 13 29.759 0.042 . 1 . . . . 28 ARG CB . 6999 1 324 . 1 1 28 28 ARG CG C 13 27.176 0.000 . 1 . . . . 28 ARG CG . 6999 1 325 . 1 1 28 28 ARG CD C 13 42.879 0.030 . 1 . . . . 28 ARG CD . 6999 1 326 . 1 1 28 28 ARG N N 15 119.392 0.066 . 1 . . . . 28 ARG N . 6999 1 327 . 1 1 29 29 GLY H H 1 7.860 0.006 . 1 . . . . 29 GLY H . 6999 1 328 . 1 1 29 29 GLY HA2 H 1 3.823 0.008 . 2 . . . . 29 GLY HA2 . 6999 1 329 . 1 1 29 29 GLY HA3 H 1 3.998 0.002 . 2 . . . . 29 GLY HA3 . 6999 1 330 . 1 1 29 29 GLY C C 13 174.575 0.000 . 1 . . . . 29 GLY C . 6999 1 331 . 1 1 29 29 GLY CA C 13 47.534 0.000 . 1 . . . . 29 GLY CA . 6999 1 332 . 1 1 29 29 GLY N N 15 107.321 0.062 . 1 . . . . 29 GLY N . 6999 1 333 . 1 1 30 30 VAL H H 1 7.933 0.012 . 1 . . . . 30 VAL H . 6999 1 334 . 1 1 30 30 VAL HA H 1 4.413 0.010 . 1 . . . . 30 VAL HA . 6999 1 335 . 1 1 30 30 VAL HB H 1 1.809 0.013 . 1 . . . . 30 VAL HB . 6999 1 336 . 1 1 30 30 VAL HG11 H 1 0.912 0.010 . 2 . . . . 30 VAL HG1 . 6999 1 337 . 1 1 30 30 VAL HG12 H 1 0.912 0.010 . 2 . . . . 30 VAL HG1 . 6999 1 338 . 1 1 30 30 VAL HG13 H 1 0.912 0.010 . 2 . . . . 30 VAL HG1 . 6999 1 339 . 1 1 30 30 VAL HG21 H 1 1.001 0.010 . 2 . . . . 30 VAL HG2 . 6999 1 340 . 1 1 30 30 VAL HG22 H 1 1.001 0.010 . 2 . . . . 30 VAL HG2 . 6999 1 341 . 1 1 30 30 VAL HG23 H 1 1.001 0.010 . 2 . . . . 30 VAL HG2 . 6999 1 342 . 1 1 30 30 VAL C C 13 178.761 0.000 . 1 . . . . 30 VAL C . 6999 1 343 . 1 1 30 30 VAL CA C 13 64.731 0.000 . 1 . . . . 30 VAL CA . 6999 1 344 . 1 1 30 30 VAL CB C 13 33.630 0.000 . 1 . . . . 30 VAL CB . 6999 1 345 . 1 1 30 30 VAL CG2 C 13 21.338 0.000 . 1 . . . . 30 VAL CG2 . 6999 1 346 . 1 1 30 30 VAL N N 15 118.940 0.067 . 1 . . . . 30 VAL N . 6999 1 347 . 1 1 31 31 LEU H H 1 8.954 0.016 . 1 . . . . 31 LEU H . 6999 1 348 . 1 1 31 31 LEU HA H 1 4.248 0.035 . 1 . . . . 31 LEU HA . 6999 1 349 . 1 1 31 31 LEU HB2 H 1 1.384 0.000 . 2 . . . . 31 LEU HB2 . 6999 1 350 . 1 1 31 31 LEU HB3 H 1 1.288 0.023 . 2 . . . . 31 LEU HB3 . 6999 1 351 . 1 1 31 31 LEU C C 13 177.912 0.000 . 1 . . . . 31 LEU C . 6999 1 352 . 1 1 31 31 LEU CA C 13 57.673 0.043 . 1 . . . . 31 LEU CA . 6999 1 353 . 1 1 31 31 LEU CB C 13 42.929 0.028 . 1 . . . . 31 LEU CB . 6999 1 354 . 1 1 31 31 LEU CG C 13 25.850 0.000 . 1 . . . . 31 LEU CG . 6999 1 355 . 1 1 31 31 LEU CD1 C 13 23.157 0.000 . 1 . . . . 31 LEU CD1 . 6999 1 356 . 1 1 31 31 LEU N N 15 116.349 0.071 . 1 . . . . 31 LEU N . 6999 1 357 . 1 1 32 32 VAL H H 1 8.080 0.010 . 1 . . . . 32 VAL H . 6999 1 358 . 1 1 32 32 VAL HA H 1 4.720 0.011 . 1 . . . . 32 VAL HA . 6999 1 359 . 1 1 32 32 VAL HB H 1 2.074 0.008 . 1 . . . . 32 VAL HB . 6999 1 360 . 1 1 32 32 VAL HG11 H 1 0.825 0.005 . 2 . . . . 32 VAL HG1 . 6999 1 361 . 1 1 32 32 VAL HG12 H 1 0.825 0.005 . 2 . . . . 32 VAL HG1 . 6999 1 362 . 1 1 32 32 VAL HG13 H 1 0.825 0.005 . 2 . . . . 32 VAL HG1 . 6999 1 363 . 1 1 32 32 VAL HG21 H 1 0.442 0.023 . 2 . . . . 32 VAL HG2 . 6999 1 364 . 1 1 32 32 VAL HG22 H 1 0.442 0.023 . 2 . . . . 32 VAL HG2 . 6999 1 365 . 1 1 32 32 VAL HG23 H 1 0.442 0.023 . 2 . . . . 32 VAL HG2 . 6999 1 366 . 1 1 32 32 VAL C C 13 179.111 0.000 . 1 . . . . 32 VAL C . 6999 1 367 . 1 1 32 32 VAL CA C 13 63.055 0.041 . 1 . . . . 32 VAL CA . 6999 1 368 . 1 1 32 32 VAL CB C 13 31.073 0.000 . 1 . . . . 32 VAL CB . 6999 1 369 . 1 1 32 32 VAL CG1 C 13 22.000 0.021 . 2 . . . . 32 VAL CG1 . 6999 1 370 . 1 1 32 32 VAL CG2 C 13 20.690 0.000 . 2 . . . . 32 VAL CG2 . 6999 1 371 . 1 1 32 32 VAL N N 15 118.510 0.086 . 1 . . . . 32 VAL N . 6999 1 372 . 1 1 33 33 ASP H H 1 7.613 0.013 . 1 . . . . 33 ASP H . 6999 1 373 . 1 1 33 33 ASP HA H 1 4.613 0.010 . 1 . . . . 33 ASP HA . 6999 1 374 . 1 1 33 33 ASP HB2 H 1 3.293 0.117 . 2 . . . . 33 ASP HB2 . 6999 1 375 . 1 1 33 33 ASP HB3 H 1 2.795 0.011 . 2 . . . . 33 ASP HB3 . 6999 1 376 . 1 1 33 33 ASP C C 13 177.764 0.000 . 1 . . . . 33 ASP C . 6999 1 377 . 1 1 33 33 ASP CA C 13 55.637 0.081 . 1 . . . . 33 ASP CA . 6999 1 378 . 1 1 33 33 ASP CB C 13 40.848 0.024 . 1 . . . . 33 ASP CB . 6999 1 379 . 1 1 33 33 ASP N N 15 116.694 0.052 . 1 . . . . 33 ASP N . 6999 1 380 . 1 1 34 34 GLY H H 1 6.880 0.007 . 1 . . . . 34 GLY H . 6999 1 381 . 1 1 34 34 GLY HA2 H 1 3.832 0.002 . 2 . . . . 34 GLY HA2 . 6999 1 382 . 1 1 34 34 GLY HA3 H 1 3.878 0.014 . 2 . . . . 34 GLY HA3 . 6999 1 383 . 1 1 34 34 GLY C C 13 175.030 0.000 . 1 . . . . 34 GLY C . 6999 1 384 . 1 1 34 34 GLY CA C 13 46.631 0.000 . 1 . . . . 34 GLY CA . 6999 1 385 . 1 1 34 34 GLY N N 15 106.614 0.084 . 1 . . . . 34 GLY N . 6999 1 386 . 1 1 35 35 LYS H H 1 8.560 0.009 . 1 . . . . 35 LYS H . 6999 1 387 . 1 1 35 35 LYS HA H 1 4.427 0.012 . 1 . . . . 35 LYS HA . 6999 1 388 . 1 1 35 35 LYS C C 13 174.857 0.000 . 1 . . . . 35 LYS C . 6999 1 389 . 1 1 35 35 LYS CA C 13 54.801 0.000 . 1 . . . . 35 LYS CA . 6999 1 390 . 1 1 35 35 LYS CB C 13 32.034 0.000 . 1 . . . . 35 LYS CB . 6999 1 391 . 1 1 35 35 LYS N N 15 121.892 0.055 . 1 . . . . 35 LYS N . 6999 1 392 . 1 1 36 36 PRO HA H 1 3.958 0.006 . 1 . . . . 36 PRO HA . 6999 1 393 . 1 1 36 36 PRO HB3 H 1 1.958 0.000 . 1 . . . . 36 PRO HB3 . 6999 1 394 . 1 1 36 36 PRO C C 13 178.529 0.000 . 1 . . . . 36 PRO C . 6999 1 395 . 1 1 36 36 PRO CA C 13 62.178 0.000 . 1 . . . . 36 PRO CA . 6999 1 396 . 1 1 36 36 PRO CB C 13 32.019 0.000 . 1 . . . . 36 PRO CB . 6999 1 397 . 1 1 36 36 PRO CG C 13 27.775 0.000 . 1 . . . . 36 PRO CG . 6999 1 398 . 1 1 36 36 PRO CD C 13 49.768 0.000 . 1 . . . . 36 PRO CD . 6999 1 399 . 1 1 37 37 GLN H H 1 8.310 0.006 . 1 . . . . 37 GLN H . 6999 1 400 . 1 1 37 37 GLN HA H 1 3.864 0.000 . 1 . . . . 37 GLN HA . 6999 1 401 . 1 1 37 37 GLN HB2 H 1 1.959 0.009 . 2 . . . . 37 GLN HB2 . 6999 1 402 . 1 1 37 37 GLN HB3 H 1 2.275 0.004 . 2 . . . . 37 GLN HB3 . 6999 1 403 . 1 1 37 37 GLN HG2 H 1 2.705 0.004 . 1 . . . . 37 GLN HG2 . 6999 1 404 . 1 1 37 37 GLN C C 13 177.516 0.000 . 1 . . . . 37 GLN C . 6999 1 405 . 1 1 37 37 GLN CA C 13 60.197 0.000 . 1 . . . . 37 GLN CA . 6999 1 406 . 1 1 37 37 GLN CB C 13 29.527 0.000 . 1 . . . . 37 GLN CB . 6999 1 407 . 1 1 37 37 GLN CG C 13 35.902 0.000 . 1 . . . . 37 GLN CG . 6999 1 408 . 1 1 37 37 GLN N N 15 123.524 0.083 . 1 . . . . 37 GLN N . 6999 1 409 . 1 1 38 38 ALA H H 1 8.922 0.015 . 1 . . . . 38 ALA H . 6999 1 410 . 1 1 38 38 ALA HA H 1 4.119 0.111 . 1 . . . . 38 ALA HA . 6999 1 411 . 1 1 38 38 ALA HB1 H 1 1.640 0.141 . 1 . . . . 38 ALA HB . 6999 1 412 . 1 1 38 38 ALA HB2 H 1 1.640 0.141 . 1 . . . . 38 ALA HB . 6999 1 413 . 1 1 38 38 ALA HB3 H 1 1.640 0.141 . 1 . . . . 38 ALA HB . 6999 1 414 . 1 1 38 38 ALA C C 13 179.568 0.000 . 1 . . . . 38 ALA C . 6999 1 415 . 1 1 38 38 ALA CA C 13 55.267 0.000 . 1 . . . . 38 ALA CA . 6999 1 416 . 1 1 38 38 ALA CB C 13 18.387 0.000 . 1 . . . . 38 ALA CB . 6999 1 417 . 1 1 38 38 ALA N N 15 118.773 0.074 . 1 . . . . 38 ALA N . 6999 1 418 . 1 1 39 39 THR H H 1 7.332 0.008 . 1 . . . . 39 THR H . 6999 1 419 . 1 1 39 39 THR HA H 1 3.976 0.007 . 1 . . . . 39 THR HA . 6999 1 420 . 1 1 39 39 THR HB H 1 3.900 0.013 . 1 . . . . 39 THR HB . 6999 1 421 . 1 1 39 39 THR HG21 H 1 0.990 0.004 . 1 . . . . 39 THR HG1 . 6999 1 422 . 1 1 39 39 THR HG22 H 1 0.990 0.004 . 1 . . . . 39 THR HG1 . 6999 1 423 . 1 1 39 39 THR HG23 H 1 0.990 0.004 . 1 . . . . 39 THR HG1 . 6999 1 424 . 1 1 39 39 THR C C 13 176.748 0.000 . 1 . . . . 39 THR C . 6999 1 425 . 1 1 39 39 THR CA C 13 65.025 0.003 . 1 . . . . 39 THR CA . 6999 1 426 . 1 1 39 39 THR CB C 13 68.744 0.073 . 1 . . . . 39 THR CB . 6999 1 427 . 1 1 39 39 THR CG2 C 13 21.539 0.000 . 1 . . . . 39 THR CG2 . 6999 1 428 . 1 1 39 39 THR N N 15 109.930 0.056 . 1 . . . . 39 THR N . 6999 1 429 . 1 1 40 40 PHE H H 1 7.391 0.006 . 1 . . . . 40 PHE H . 6999 1 430 . 1 1 40 40 PHE HA H 1 4.294 0.005 . 1 . . . . 40 PHE HA . 6999 1 431 . 1 1 40 40 PHE HB2 H 1 2.980 0.014 . 2 . . . . 40 PHE HB2 . 6999 1 432 . 1 1 40 40 PHE HB3 H 1 2.991 0.001 . 2 . . . . 40 PHE HB3 . 6999 1 433 . 1 1 40 40 PHE C C 13 176.820 0.000 . 1 . . . . 40 PHE C . 6999 1 434 . 1 1 40 40 PHE CA C 13 60.857 0.000 . 1 . . . . 40 PHE CA . 6999 1 435 . 1 1 40 40 PHE CB C 13 39.860 0.000 . 1 . . . . 40 PHE CB . 6999 1 436 . 1 1 40 40 PHE N N 15 120.806 0.058 . 1 . . . . 40 PHE N . 6999 1 437 . 1 1 41 41 ALA H H 1 7.626 0.007 . 1 . . . . 41 ALA H . 6999 1 438 . 1 1 41 41 ALA HA H 1 3.953 0.005 . 1 . . . . 41 ALA HA . 6999 1 439 . 1 1 41 41 ALA HB1 H 1 1.444 0.008 . 1 . . . . 41 ALA HB . 6999 1 440 . 1 1 41 41 ALA HB2 H 1 1.444 0.008 . 1 . . . . 41 ALA HB . 6999 1 441 . 1 1 41 41 ALA HB3 H 1 1.444 0.008 . 1 . . . . 41 ALA HB . 6999 1 442 . 1 1 41 41 ALA C C 13 179.278 0.000 . 1 . . . . 41 ALA C . 6999 1 443 . 1 1 41 41 ALA CA C 13 55.565 0.000 . 1 . . . . 41 ALA CA . 6999 1 444 . 1 1 41 41 ALA CB C 13 17.608 0.000 . 1 . . . . 41 ALA CB . 6999 1 445 . 1 1 41 41 ALA N N 15 121.213 0.060 . 1 . . . . 41 ALA N . 6999 1 446 . 1 1 42 42 THR H H 1 7.814 0.006 . 1 . . . . 42 THR H . 6999 1 447 . 1 1 42 42 THR HA H 1 4.059 0.002 . 1 . . . . 42 THR HA . 6999 1 448 . 1 1 42 42 THR HB H 1 4.177 0.007 . 1 . . . . 42 THR HB . 6999 1 449 . 1 1 42 42 THR HG21 H 1 1.250 0.000 . 1 . . . . 42 THR HG1 . 6999 1 450 . 1 1 42 42 THR HG22 H 1 1.250 0.000 . 1 . . . . 42 THR HG1 . 6999 1 451 . 1 1 42 42 THR HG23 H 1 1.250 0.000 . 1 . . . . 42 THR HG1 . 6999 1 452 . 1 1 42 42 THR C C 13 177.548 0.000 . 1 . . . . 42 THR C . 6999 1 453 . 1 1 42 42 THR CA C 13 65.311 0.010 . 1 . . . . 42 THR CA . 6999 1 454 . 1 1 42 42 THR CB C 13 68.773 0.033 . 1 . . . . 42 THR CB . 6999 1 455 . 1 1 42 42 THR CG2 C 13 21.843 0.000 . 1 . . . . 42 THR CG2 . 6999 1 456 . 1 1 42 42 THR N N 15 110.593 0.049 . 1 . . . . 42 THR N . 6999 1 457 . 1 1 43 43 SER H H 1 8.146 0.013 . 1 . . . . 43 SER H . 6999 1 458 . 1 1 43 43 SER HA H 1 4.222 0.005 . 1 . . . . 43 SER HA . 6999 1 459 . 1 1 43 43 SER HB2 H 1 3.891 0.016 . 2 . . . . 43 SER HB2 . 6999 1 460 . 1 1 43 43 SER HB3 H 1 3.948 0.003 . 2 . . . . 43 SER HB3 . 6999 1 461 . 1 1 43 43 SER C C 13 176.111 0.000 . 1 . . . . 43 SER C . 6999 1 462 . 1 1 43 43 SER CA C 13 61.437 0.015 . 1 . . . . 43 SER CA . 6999 1 463 . 1 1 43 43 SER CB C 13 62.977 0.006 . 1 . . . . 43 SER CB . 6999 1 464 . 1 1 43 43 SER N N 15 116.662 0.060 . 1 . . . . 43 SER N . 6999 1 465 . 1 1 44 44 LEU H H 1 7.681 0.007 . 1 . . . . 44 LEU H . 6999 1 466 . 1 1 44 44 LEU HA H 1 4.526 0.005 . 1 . . . . 44 LEU HA . 6999 1 467 . 1 1 44 44 LEU HB2 H 1 1.519 0.006 . 2 . . . . 44 LEU HB2 . 6999 1 468 . 1 1 44 44 LEU HB3 H 1 1.822 0.003 . 2 . . . . 44 LEU HB3 . 6999 1 469 . 1 1 44 44 LEU HD11 H 1 0.864 0.000 . 1 . . . . 44 LEU HD1 . 6999 1 470 . 1 1 44 44 LEU HD12 H 1 0.864 0.000 . 1 . . . . 44 LEU HD1 . 6999 1 471 . 1 1 44 44 LEU HD13 H 1 0.864 0.000 . 1 . . . . 44 LEU HD1 . 6999 1 472 . 1 1 44 44 LEU C C 13 177.430 0.000 . 1 . . . . 44 LEU C . 6999 1 473 . 1 1 44 44 LEU CA C 13 54.566 0.002 . 1 . . . . 44 LEU CA . 6999 1 474 . 1 1 44 44 LEU CB C 13 42.571 0.000 . 1 . . . . 44 LEU CB . 6999 1 475 . 1 1 44 44 LEU CG C 13 26.052 0.000 . 1 . . . . 44 LEU CG . 6999 1 476 . 1 1 44 44 LEU CD1 C 13 22.150 0.000 . 1 . . . . 44 LEU CD1 . 6999 1 477 . 1 1 44 44 LEU N N 15 118.048 0.059 . 1 . . . . 44 LEU N . 6999 1 478 . 1 1 45 45 GLY H H 1 7.618 0.006 . 1 . . . . 45 GLY H . 6999 1 479 . 1 1 45 45 GLY HA2 H 1 3.952 0.007 . 2 . . . . 45 GLY HA2 . 6999 1 480 . 1 1 45 45 GLY HA3 H 1 3.919 0.020 . 2 . . . . 45 GLY HA3 . 6999 1 481 . 1 1 45 45 GLY C C 13 174.734 0.000 . 1 . . . . 45 GLY C . 6999 1 482 . 1 1 45 45 GLY CA C 13 46.716 0.000 . 1 . . . . 45 GLY CA . 6999 1 483 . 1 1 45 45 GLY N N 15 109.353 0.065 . 1 . . . . 45 GLY N . 6999 1 484 . 1 1 46 46 LEU H H 1 7.896 0.000 . 1 . . . . 46 LEU H . 6999 1 485 . 1 1 46 46 LEU HA H 1 4.777 0.009 . 1 . . . . 46 LEU HA . 6999 1 486 . 1 1 46 46 LEU HB2 H 1 1.440 0.050 . 2 . . . . 46 LEU HB2 . 6999 1 487 . 1 1 46 46 LEU HB3 H 1 1.637 0.005 . 2 . . . . 46 LEU HB3 . 6999 1 488 . 1 1 46 46 LEU HG H 1 1.500 0.001 . 1 . . . . 46 LEU HG . 6999 1 489 . 1 1 46 46 LEU HD11 H 1 0.732 0.003 . 2 . . . . 46 LEU HD1 . 6999 1 490 . 1 1 46 46 LEU HD12 H 1 0.732 0.003 . 2 . . . . 46 LEU HD1 . 6999 1 491 . 1 1 46 46 LEU HD13 H 1 0.732 0.003 . 2 . . . . 46 LEU HD1 . 6999 1 492 . 1 1 46 46 LEU HD21 H 1 0.832 0.013 . 2 . . . . 46 LEU HD2 . 6999 1 493 . 1 1 46 46 LEU HD22 H 1 0.832 0.013 . 2 . . . . 46 LEU HD2 . 6999 1 494 . 1 1 46 46 LEU HD23 H 1 0.832 0.013 . 2 . . . . 46 LEU HD2 . 6999 1 495 . 1 1 46 46 LEU C C 13 176.774 0.000 . 1 . . . . 46 LEU C . 6999 1 496 . 1 1 46 46 LEU CA C 13 52.641 0.024 . 1 . . . . 46 LEU CA . 6999 1 497 . 1 1 46 46 LEU CB C 13 46.196 0.000 . 1 . . . . 46 LEU CB . 6999 1 498 . 1 1 46 46 LEU CG C 13 26.636 0.176 . 1 . . . . 46 LEU CG . 6999 1 499 . 1 1 46 46 LEU CD1 C 13 22.632 0.000 . 1 . . . . 46 LEU CD1 . 6999 1 500 . 1 1 46 46 LEU N N 15 119.470 0.068 . 1 . . . . 46 LEU N . 6999 1 501 . 1 1 47 47 THR H H 1 7.944 0.015 . 1 . . . . 47 THR H . 6999 1 502 . 1 1 47 47 THR HA H 1 4.405 0.010 . 1 . . . . 47 THR HA . 6999 1 503 . 1 1 47 47 THR HB H 1 4.676 0.016 . 1 . . . . 47 THR HB . 6999 1 504 . 1 1 47 47 THR HG21 H 1 1.363 0.012 . 1 . . . . 47 THR HG1 . 6999 1 505 . 1 1 47 47 THR HG22 H 1 1.363 0.012 . 1 . . . . 47 THR HG1 . 6999 1 506 . 1 1 47 47 THR HG23 H 1 1.363 0.012 . 1 . . . . 47 THR HG1 . 6999 1 507 . 1 1 47 47 THR C C 13 176.077 0.000 . 1 . . . . 47 THR C . 6999 1 508 . 1 1 47 47 THR CA C 13 60.596 0.006 . 1 . . . . 47 THR CA . 6999 1 509 . 1 1 47 47 THR CB C 13 70.809 0.010 . 1 . . . . 47 THR CB . 6999 1 510 . 1 1 47 47 THR CG2 C 13 21.962 0.003 . 1 . . . . 47 THR CG2 . 6999 1 511 . 1 1 47 47 THR N N 15 108.978 0.064 . 1 . . . . 47 THR N . 6999 1 512 . 1 1 48 48 ARG H H 1 8.996 0.011 . 1 . . . . 48 ARG H . 6999 1 513 . 1 1 48 48 ARG HA H 1 3.891 0.010 . 1 . . . . 48 ARG HA . 6999 1 514 . 1 1 48 48 ARG HB2 H 1 1.850 0.033 . 2 . . . . 48 ARG HB2 . 6999 1 515 . 1 1 48 48 ARG HB3 H 1 1.879 0.020 . 2 . . . . 48 ARG HB3 . 6999 1 516 . 1 1 48 48 ARG HG2 H 1 1.611 0.019 . 1 . . . . 48 ARG HG2 . 6999 1 517 . 1 1 48 48 ARG HD2 H 1 3.232 0.030 . 2 . . . . 48 ARG HD2 . 6999 1 518 . 1 1 48 48 ARG HD3 H 1 3.184 0.022 . 2 . . . . 48 ARG HD3 . 6999 1 519 . 1 1 48 48 ARG HE H 1 7.108 0.008 . 1 . . . . 48 ARG HE . 6999 1 520 . 1 1 48 48 ARG C C 13 180.372 0.000 . 1 . . . . 48 ARG C . 6999 1 521 . 1 1 48 48 ARG CA C 13 58.985 0.053 . 1 . . . . 48 ARG CA . 6999 1 522 . 1 1 48 48 ARG CB C 13 29.174 0.087 . 1 . . . . 48 ARG CB . 6999 1 523 . 1 1 48 48 ARG CG C 13 27.447 0.000 . 1 . . . . 48 ARG CG . 6999 1 524 . 1 1 48 48 ARG CD C 13 42.922 0.046 . 1 . . . . 48 ARG CD . 6999 1 525 . 1 1 48 48 ARG N N 15 120.243 0.036 . 1 . . . . 48 ARG N . 6999 1 526 . 1 1 48 48 ARG NE N 15 131.033 0.022 . 1 . . . . 48 ARG NE . 6999 1 527 . 1 1 49 49 GLY H H 1 8.751 0.017 . 1 . . . . 49 GLY H . 6999 1 528 . 1 1 49 49 GLY HA3 H 1 3.879 0.006 . 1 . . . . 49 GLY HA3 . 6999 1 529 . 1 1 49 49 GLY C C 13 175.765 0.000 . 1 . . . . 49 GLY C . 6999 1 530 . 1 1 49 49 GLY CA C 13 46.819 0.000 . 1 . . . . 49 GLY CA . 6999 1 531 . 1 1 49 49 GLY N N 15 107.430 0.067 . 1 . . . . 49 GLY N . 6999 1 532 . 1 1 50 50 ALA H H 1 7.938 0.014 . 1 . . . . 50 ALA H . 6999 1 533 . 1 1 50 50 ALA HA H 1 4.172 0.003 . 1 . . . . 50 ALA HA . 6999 1 534 . 1 1 50 50 ALA HB1 H 1 1.531 0.004 . 1 . . . . 50 ALA HB . 6999 1 535 . 1 1 50 50 ALA HB2 H 1 1.531 0.004 . 1 . . . . 50 ALA HB . 6999 1 536 . 1 1 50 50 ALA HB3 H 1 1.531 0.004 . 1 . . . . 50 ALA HB . 6999 1 537 . 1 1 50 50 ALA C C 13 181.707 0.000 . 1 . . . . 50 ALA C . 6999 1 538 . 1 1 50 50 ALA CA C 13 55.017 0.011 . 1 . . . . 50 ALA CA . 6999 1 539 . 1 1 50 50 ALA CB C 13 18.738 0.003 . 1 . . . . 50 ALA CB . 6999 1 540 . 1 1 50 50 ALA N N 15 125.582 0.066 . 1 . . . . 50 ALA N . 6999 1 541 . 1 1 51 51 VAL H H 1 7.734 0.007 . 1 . . . . 51 VAL H . 6999 1 542 . 1 1 51 51 VAL HA H 1 3.620 0.009 . 1 . . . . 51 VAL HA . 6999 1 543 . 1 1 51 51 VAL HB H 1 2.274 0.010 . 1 . . . . 51 VAL HB . 6999 1 544 . 1 1 51 51 VAL HG11 H 1 1.041 0.034 . 2 . . . . 51 VAL HG1 . 6999 1 545 . 1 1 51 51 VAL HG12 H 1 1.041 0.034 . 2 . . . . 51 VAL HG1 . 6999 1 546 . 1 1 51 51 VAL HG13 H 1 1.041 0.034 . 2 . . . . 51 VAL HG1 . 6999 1 547 . 1 1 51 51 VAL HG21 H 1 0.997 0.016 . 2 . . . . 51 VAL HG2 . 6999 1 548 . 1 1 51 51 VAL HG22 H 1 0.997 0.016 . 2 . . . . 51 VAL HG2 . 6999 1 549 . 1 1 51 51 VAL HG23 H 1 0.997 0.016 . 2 . . . . 51 VAL HG2 . 6999 1 550 . 1 1 51 51 VAL C C 13 177.108 0.000 . 1 . . . . 51 VAL C . 6999 1 551 . 1 1 51 51 VAL CA C 13 66.892 0.042 . 1 . . . . 51 VAL CA . 6999 1 552 . 1 1 51 51 VAL CB C 13 31.718 0.038 . 1 . . . . 51 VAL CB . 6999 1 553 . 1 1 51 51 VAL CG1 C 13 20.970 0.000 . 2 . . . . 51 VAL CG1 . 6999 1 554 . 1 1 51 51 VAL CG2 C 13 23.278 0.000 . 2 . . . . 51 VAL CG2 . 6999 1 555 . 1 1 51 51 VAL N N 15 119.211 0.062 . 1 . . . . 51 VAL N . 6999 1 556 . 1 1 52 52 SER H H 1 8.332 0.008 . 1 . . . . 52 SER H . 6999 1 557 . 1 1 52 52 SER HA H 1 4.746 0.031 . 1 . . . . 52 SER HA . 6999 1 558 . 1 1 52 52 SER HB2 H 1 4.016 0.005 . 2 . . . . 52 SER HB2 . 6999 1 559 . 1 1 52 52 SER HB3 H 1 4.134 0.023 . 2 . . . . 52 SER HB3 . 6999 1 560 . 1 1 52 52 SER C C 13 177.897 0.000 . 1 . . . . 52 SER C . 6999 1 561 . 1 1 52 52 SER CA C 13 61.634 0.028 . 1 . . . . 52 SER CA . 6999 1 562 . 1 1 52 52 SER CB C 13 62.742 0.001 . 1 . . . . 52 SER CB . 6999 1 563 . 1 1 52 52 SER N N 15 114.038 0.077 . 1 . . . . 52 SER N . 6999 1 564 . 1 1 53 53 GLN H H 1 8.252 0.015 . 1 . . . . 53 GLN H . 6999 1 565 . 1 1 53 53 GLN HA H 1 4.151 0.006 . 1 . . . . 53 GLN HA . 6999 1 566 . 1 1 53 53 GLN HB2 H 1 2.189 0.016 . 2 . . . . 53 GLN HB2 . 6999 1 567 . 1 1 53 53 GLN HB3 H 1 2.151 0.008 . 2 . . . . 53 GLN HB3 . 6999 1 568 . 1 1 53 53 GLN HG2 H 1 2.419 0.009 . 2 . . . . 53 GLN HG2 . 6999 1 569 . 1 1 53 53 GLN HG3 H 1 2.534 0.014 . 2 . . . . 53 GLN HG3 . 6999 1 570 . 1 1 53 53 GLN HE21 H 1 6.836 0.012 . 2 . . . . 53 GLN HE21 . 6999 1 571 . 1 1 53 53 GLN HE22 H 1 7.431 0.015 . 2 . . . . 53 GLN HE22 . 6999 1 572 . 1 1 53 53 GLN C C 13 178.192 0.000 . 1 . . . . 53 GLN C . 6999 1 573 . 1 1 53 53 GLN CA C 13 59.063 0.000 . 1 . . . . 53 GLN CA . 6999 1 574 . 1 1 53 53 GLN CB C 13 28.626 0.000 . 1 . . . . 53 GLN CB . 6999 1 575 . 1 1 53 53 GLN CD C 13 180.207 0.012 . 1 . . . . 53 GLN CD . 6999 1 576 . 1 1 53 53 GLN N N 15 120.041 0.066 . 1 . . . . 53 GLN N . 6999 1 577 . 1 1 53 53 GLN NE2 N 15 110.926 0.027 . 1 . . . . 53 GLN NE2 . 6999 1 578 . 1 1 54 54 ALA H H 1 7.500 0.005 . 1 . . . . 54 ALA H . 6999 1 579 . 1 1 54 54 ALA HA H 1 4.183 0.006 . 1 . . . . 54 ALA HA . 6999 1 580 . 1 1 54 54 ALA HB1 H 1 1.682 0.004 . 1 . . . . 54 ALA HB . 6999 1 581 . 1 1 54 54 ALA HB2 H 1 1.682 0.004 . 1 . . . . 54 ALA HB . 6999 1 582 . 1 1 54 54 ALA HB3 H 1 1.682 0.004 . 1 . . . . 54 ALA HB . 6999 1 583 . 1 1 54 54 ALA C C 13 178.468 0.000 . 1 . . . . 54 ALA C . 6999 1 584 . 1 1 54 54 ALA CA C 13 55.332 0.031 . 1 . . . . 54 ALA CA . 6999 1 585 . 1 1 54 54 ALA CB C 13 18.813 0.019 . 1 . . . . 54 ALA CB . 6999 1 586 . 1 1 54 54 ALA N N 15 122.713 0.104 . 1 . . . . 54 ALA N . 6999 1 587 . 1 1 55 55 VAL H H 1 7.698 0.012 . 1 . . . . 55 VAL H . 6999 1 588 . 1 1 55 55 VAL HA H 1 3.362 0.023 . 1 . . . . 55 VAL HA . 6999 1 589 . 1 1 55 55 VAL HB H 1 2.177 0.011 . 1 . . . . 55 VAL HB . 6999 1 590 . 1 1 55 55 VAL HG11 H 1 1.010 0.005 . 2 . . . . 55 VAL HG1 . 6999 1 591 . 1 1 55 55 VAL HG12 H 1 1.010 0.005 . 2 . . . . 55 VAL HG1 . 6999 1 592 . 1 1 55 55 VAL HG13 H 1 1.010 0.005 . 2 . . . . 55 VAL HG1 . 6999 1 593 . 1 1 55 55 VAL HG21 H 1 0.914 0.005 . 2 . . . . 55 VAL HG2 . 6999 1 594 . 1 1 55 55 VAL HG22 H 1 0.914 0.005 . 2 . . . . 55 VAL HG2 . 6999 1 595 . 1 1 55 55 VAL HG23 H 1 0.914 0.005 . 2 . . . . 55 VAL HG2 . 6999 1 596 . 1 1 55 55 VAL C C 13 178.316 0.000 . 1 . . . . 55 VAL C . 6999 1 597 . 1 1 55 55 VAL CA C 13 67.054 0.028 . 1 . . . . 55 VAL CA . 6999 1 598 . 1 1 55 55 VAL CB C 13 31.981 0.029 . 1 . . . . 55 VAL CB . 6999 1 599 . 1 1 55 55 VAL CG1 C 13 21.178 0.000 . 2 . . . . 55 VAL CG1 . 6999 1 600 . 1 1 55 55 VAL CG2 C 13 23.561 0.000 . 2 . . . . 55 VAL CG2 . 6999 1 601 . 1 1 55 55 VAL N N 15 114.730 0.073 . 1 . . . . 55 VAL N . 6999 1 602 . 1 1 56 56 HIS H H 1 8.650 0.015 . 1 . . . . 56 HIS H . 6999 1 603 . 1 1 56 56 HIS HA H 1 4.370 0.006 . 1 . . . . 56 HIS HA . 6999 1 604 . 1 1 56 56 HIS HB2 H 1 3.260 0.033 . 2 . . . . 56 HIS HB2 . 6999 1 605 . 1 1 56 56 HIS HB3 H 1 3.295 0.046 . 2 . . . . 56 HIS HB3 . 6999 1 606 . 1 1 56 56 HIS HD2 H 1 7.536 0.002 . 1 . . . . 56 HIS HD2 . 6999 1 607 . 1 1 56 56 HIS HE1 H 1 6.824 0.006 . 1 . . . . 56 HIS HE1 . 6999 1 608 . 1 1 56 56 HIS C C 13 177.329 0.000 . 1 . . . . 56 HIS C . 6999 1 609 . 1 1 56 56 HIS CA C 13 60.070 0.103 . 1 . . . . 56 HIS CA . 6999 1 610 . 1 1 56 56 HIS CB C 13 30.255 0.044 . 1 . . . . 56 HIS CB . 6999 1 611 . 1 1 56 56 HIS CE1 C 13 132.329 0.029 . 1 . . . . 56 HIS CE1 . 6999 1 612 . 1 1 56 56 HIS N N 15 116.917 0.123 . 1 . . . . 56 HIS N . 6999 1 613 . 1 1 57 57 ARG H H 1 8.225 0.018 . 1 . . . . 57 ARG H . 6999 1 614 . 1 1 57 57 ARG HA H 1 4.078 0.004 . 1 . . . . 57 ARG HA . 6999 1 615 . 1 1 57 57 ARG HB2 H 1 1.933 0.001 . 2 . . . . 57 ARG HB2 . 6999 1 616 . 1 1 57 57 ARG HB3 H 1 2.079 0.003 . 2 . . . . 57 ARG HB3 . 6999 1 617 . 1 1 57 57 ARG HG2 H 1 1.259 0.000 . 1 . . . . 57 ARG HG2 . 6999 1 618 . 1 1 57 57 ARG HD2 H 1 3.253 0.036 . 2 . . . . 57 ARG HD2 . 6999 1 619 . 1 1 57 57 ARG HD3 H 1 3.197 0.000 . 2 . . . . 57 ARG HD3 . 6999 1 620 . 1 1 57 57 ARG C C 13 178.929 0.000 . 1 . . . . 57 ARG C . 6999 1 621 . 1 1 57 57 ARG CA C 13 58.637 0.014 . 1 . . . . 57 ARG CA . 6999 1 622 . 1 1 57 57 ARG CB C 13 29.687 0.022 . 1 . . . . 57 ARG CB . 6999 1 623 . 1 1 57 57 ARG CG C 13 27.168 0.000 . 1 . . . . 57 ARG CG . 6999 1 624 . 1 1 57 57 ARG CD C 13 42.976 0.025 . 1 . . . . 57 ARG CD . 6999 1 625 . 1 1 57 57 ARG N N 15 118.260 0.185 . 1 . . . . 57 ARG N . 6999 1 626 . 1 1 58 58 VAL H H 1 7.128 0.008 . 1 . . . . 58 VAL H . 6999 1 627 . 1 1 58 58 VAL HA H 1 3.538 0.011 . 1 . . . . 58 VAL HA . 6999 1 628 . 1 1 58 58 VAL HB H 1 1.934 0.001 . 1 . . . . 58 VAL HB . 6999 1 629 . 1 1 58 58 VAL HG11 H 1 0.763 0.007 . 2 . . . . 58 VAL HG1 . 6999 1 630 . 1 1 58 58 VAL HG12 H 1 0.763 0.007 . 2 . . . . 58 VAL HG1 . 6999 1 631 . 1 1 58 58 VAL HG13 H 1 0.763 0.007 . 2 . . . . 58 VAL HG1 . 6999 1 632 . 1 1 58 58 VAL HG21 H 1 0.635 0.005 . 2 . . . . 58 VAL HG2 . 6999 1 633 . 1 1 58 58 VAL HG22 H 1 0.635 0.005 . 2 . . . . 58 VAL HG2 . 6999 1 634 . 1 1 58 58 VAL HG23 H 1 0.635 0.005 . 2 . . . . 58 VAL HG2 . 6999 1 635 . 1 1 58 58 VAL C C 13 176.722 0.000 . 1 . . . . 58 VAL C . 6999 1 636 . 1 1 58 58 VAL CA C 13 66.243 0.000 . 1 . . . . 58 VAL CA . 6999 1 637 . 1 1 58 58 VAL CB C 13 31.465 0.000 . 1 . . . . 58 VAL CB . 6999 1 638 . 1 1 58 58 VAL CG1 C 13 22.465 0.000 . 2 . . . . 58 VAL CG1 . 6999 1 639 . 1 1 58 58 VAL CG2 C 13 21.883 0.000 . 2 . . . . 58 VAL CG2 . 6999 1 640 . 1 1 58 58 VAL N N 15 117.163 0.098 . 1 . . . . 58 VAL N . 6999 1 641 . 1 1 59 59 TRP H H 1 8.797 0.009 . 1 . . . . 59 TRP H . 6999 1 642 . 1 1 59 59 TRP HA H 1 3.954 0.007 . 1 . . . . 59 TRP HA . 6999 1 643 . 1 1 59 59 TRP HB2 H 1 2.060 0.006 . 2 . . . . 59 TRP HB2 . 6999 1 644 . 1 1 59 59 TRP HB3 H 1 2.171 0.003 . 2 . . . . 59 TRP HB3 . 6999 1 645 . 1 1 59 59 TRP HD1 H 1 7.113 0.002 . 1 . . . . 59 TRP HD1 . 6999 1 646 . 1 1 59 59 TRP HE1 H 1 9.982 0.005 . 1 . . . . 59 TRP HE1 . 6999 1 647 . 1 1 59 59 TRP HE3 H 1 7.224 0.007 . 1 . . . . 59 TRP HE3 . 6999 1 648 . 1 1 59 59 TRP HZ2 H 1 7.605 0.003 . 1 . . . . 59 TRP HZ2 . 6999 1 649 . 1 1 59 59 TRP HZ3 H 1 6.760 0.003 . 1 . . . . 59 TRP HZ3 . 6999 1 650 . 1 1 59 59 TRP HH2 H 1 7.302 0.024 . 1 . . . . 59 TRP HH2 . 6999 1 651 . 1 1 59 59 TRP C C 13 177.457 0.000 . 1 . . . . 59 TRP C . 6999 1 652 . 1 1 59 59 TRP CA C 13 60.679 0.019 . 1 . . . . 59 TRP CA . 6999 1 653 . 1 1 59 59 TRP CB C 13 29.656 0.019 . 1 . . . . 59 TRP CB . 6999 1 654 . 1 1 59 59 TRP CE3 C 13 119.171 0.000 . 1 . . . . 59 TRP CE3 . 6999 1 655 . 1 1 59 59 TRP CZ2 C 13 115.109 0.048 . 1 . . . . 59 TRP CZ2 . 6999 1 656 . 1 1 59 59 TRP CZ3 C 13 122.164 0.020 . 1 . . . . 59 TRP CZ3 . 6999 1 657 . 1 1 59 59 TRP CH2 C 13 124.884 0.031 . 1 . . . . 59 TRP CH2 . 6999 1 658 . 1 1 59 59 TRP N N 15 120.849 0.073 . 1 . . . . 59 TRP N . 6999 1 659 . 1 1 59 59 TRP NE1 N 15 129.020 0.023 . 1 . . . . 59 TRP NE1 . 6999 1 660 . 1 1 60 60 ALA H H 1 8.749 0.014 . 1 . . . . 60 ALA H . 6999 1 661 . 1 1 60 60 ALA HA H 1 3.970 0.005 . 1 . . . . 60 ALA HA . 6999 1 662 . 1 1 60 60 ALA HB1 H 1 1.311 0.002 . 1 . . . . 60 ALA HB . 6999 1 663 . 1 1 60 60 ALA HB2 H 1 1.311 0.002 . 1 . . . . 60 ALA HB . 6999 1 664 . 1 1 60 60 ALA HB3 H 1 1.311 0.002 . 1 . . . . 60 ALA HB . 6999 1 665 . 1 1 60 60 ALA C C 13 179.731 0.000 . 1 . . . . 60 ALA C . 6999 1 666 . 1 1 60 60 ALA CA C 13 54.737 0.000 . 1 . . . . 60 ALA CA . 6999 1 667 . 1 1 60 60 ALA CB C 13 17.710 0.000 . 1 . . . . 60 ALA CB . 6999 1 668 . 1 1 60 60 ALA N N 15 118.603 0.185 . 1 . . . . 60 ALA N . 6999 1 669 . 1 1 61 61 ALA H H 1 7.050 0.008 . 1 . . . . 61 ALA H . 6999 1 670 . 1 1 61 61 ALA HA H 1 4.132 0.003 . 1 . . . . 61 ALA HA . 6999 1 671 . 1 1 61 61 ALA HB1 H 1 1.538 0.003 . 1 . . . . 61 ALA HB . 6999 1 672 . 1 1 61 61 ALA HB2 H 1 1.538 0.003 . 1 . . . . 61 ALA HB . 6999 1 673 . 1 1 61 61 ALA HB3 H 1 1.538 0.003 . 1 . . . . 61 ALA HB . 6999 1 674 . 1 1 61 61 ALA C C 13 180.088 0.000 . 1 . . . . 61 ALA C . 6999 1 675 . 1 1 61 61 ALA CA C 13 54.529 0.000 . 1 . . . . 61 ALA CA . 6999 1 676 . 1 1 61 61 ALA CB C 13 18.723 0.000 . 1 . . . . 61 ALA CB . 6999 1 677 . 1 1 61 61 ALA N N 15 119.304 0.196 . 1 . . . . 61 ALA N . 6999 1 678 . 1 1 62 62 PHE H H 1 7.807 0.006 . 1 . . . . 62 PHE H . 6999 1 679 . 1 1 62 62 PHE HA H 1 3.960 0.013 . 1 . . . . 62 PHE HA . 6999 1 680 . 1 1 62 62 PHE HB2 H 1 2.681 0.010 . 2 . . . . 62 PHE HB2 . 6999 1 681 . 1 1 62 62 PHE HB3 H 1 2.879 0.010 . 2 . . . . 62 PHE HB3 . 6999 1 682 . 1 1 62 62 PHE HD1 H 1 6.440 0.004 . 1 . . . . 62 PHE HD . 6999 1 683 . 1 1 62 62 PHE HD2 H 1 6.440 0.004 . 1 . . . . 62 PHE HD . 6999 1 684 . 1 1 62 62 PHE HE1 H 1 7.103 0.007 . 1 . . . . 62 PHE HE . 6999 1 685 . 1 1 62 62 PHE HE2 H 1 7.103 0.007 . 1 . . . . 62 PHE HE . 6999 1 686 . 1 1 62 62 PHE C C 13 177.509 0.000 . 1 . . . . 62 PHE C . 6999 1 687 . 1 1 62 62 PHE CA C 13 60.670 0.010 . 1 . . . . 62 PHE CA . 6999 1 688 . 1 1 62 62 PHE CB C 13 38.188 0.044 . 1 . . . . 62 PHE CB . 6999 1 689 . 1 1 62 62 PHE CD1 C 13 131.757 0.005 . 1 . . . . 62 PHE CD . 6999 1 690 . 1 1 62 62 PHE CD2 C 13 131.757 0.005 . 1 . . . . 62 PHE CD . 6999 1 691 . 1 1 62 62 PHE CE1 C 13 131.468 0.000 . 1 . . . . 62 PHE CE . 6999 1 692 . 1 1 62 62 PHE CE2 C 13 131.468 0.000 . 1 . . . . 62 PHE CE . 6999 1 693 . 1 1 62 62 PHE N N 15 118.517 0.039 . 1 . . . . 62 PHE N . 6999 1 694 . 1 1 63 63 GLU H H 1 8.234 0.011 . 1 . . . . 63 GLU H . 6999 1 695 . 1 1 63 63 GLU HA H 1 3.377 0.006 . 1 . . . . 63 GLU HA . 6999 1 696 . 1 1 63 63 GLU HB2 H 1 1.732 0.001 . 2 . . . . 63 GLU HB2 . 6999 1 697 . 1 1 63 63 GLU HB3 H 1 1.802 0.009 . 2 . . . . 63 GLU HB3 . 6999 1 698 . 1 1 63 63 GLU HG3 H 1 2.409 0.000 . 1 . . . . 63 GLU HG3 . 6999 1 699 . 1 1 63 63 GLU C C 13 178.961 0.000 . 1 . . . . 63 GLU C . 6999 1 700 . 1 1 63 63 GLU CA C 13 59.246 0.037 . 1 . . . . 63 GLU CA . 6999 1 701 . 1 1 63 63 GLU CB C 13 29.607 0.000 . 1 . . . . 63 GLU CB . 6999 1 702 . 1 1 63 63 GLU CG C 13 36.656 0.000 . 1 . . . . 63 GLU CG . 6999 1 703 . 1 1 63 63 GLU N N 15 119.957 0.083 . 1 . . . . 63 GLU N . 6999 1 704 . 1 1 64 64 ASP H H 1 7.908 0.010 . 1 . . . . 64 ASP H . 6999 1 705 . 1 1 64 64 ASP HA H 1 4.335 0.004 . 1 . . . . 64 ASP HA . 6999 1 706 . 1 1 64 64 ASP HB2 H 1 2.610 0.024 . 2 . . . . 64 ASP HB2 . 6999 1 707 . 1 1 64 64 ASP HB3 H 1 2.652 0.003 . 2 . . . . 64 ASP HB3 . 6999 1 708 . 1 1 64 64 ASP C C 13 177.702 0.000 . 1 . . . . 64 ASP C . 6999 1 709 . 1 1 64 64 ASP CA C 13 56.116 0.029 . 1 . . . . 64 ASP CA . 6999 1 710 . 1 1 64 64 ASP CB C 13 40.725 0.048 . 1 . . . . 64 ASP CB . 6999 1 711 . 1 1 64 64 ASP N N 15 117.696 0.075 . 1 . . . . 64 ASP N . 6999 1 712 . 1 1 65 65 LYS H H 1 7.225 0.008 . 1 . . . . 65 LYS H . 6999 1 713 . 1 1 65 65 LYS HA H 1 4.117 0.005 . 1 . . . . 65 LYS HA . 6999 1 714 . 1 1 65 65 LYS HB2 H 1 1.638 0.004 . 2 . . . . 65 LYS HB2 . 6999 1 715 . 1 1 65 65 LYS HB3 H 1 1.768 0.003 . 2 . . . . 65 LYS HB3 . 6999 1 716 . 1 1 65 65 LYS HG2 H 1 1.379 0.007 . 1 . . . . 65 LYS HG2 . 6999 1 717 . 1 1 65 65 LYS HD3 H 1 1.627 0.000 . 1 . . . . 65 LYS HD3 . 6999 1 718 . 1 1 65 65 LYS HE2 H 1 2.984 0.003 . 1 . . . . 65 LYS HE2 . 6999 1 719 . 1 1 65 65 LYS C C 13 176.645 0.000 . 1 . . . . 65 LYS C . 6999 1 720 . 1 1 65 65 LYS CA C 13 56.732 0.005 . 1 . . . . 65 LYS CA . 6999 1 721 . 1 1 65 65 LYS CB C 13 32.724 0.015 . 1 . . . . 65 LYS CB . 6999 1 722 . 1 1 65 65 LYS CG C 13 25.002 0.000 . 1 . . . . 65 LYS CG . 6999 1 723 . 1 1 65 65 LYS CD C 13 29.068 0.000 . 1 . . . . 65 LYS CD . 6999 1 724 . 1 1 65 65 LYS CE C 13 42.285 0.000 . 1 . . . . 65 LYS CE . 6999 1 725 . 1 1 65 65 LYS N N 15 117.395 0.039 . 1 . . . . 65 LYS N . 6999 1 726 . 1 1 66 66 ASN H H 1 7.477 0.006 . 1 . . . . 66 ASN H . 6999 1 727 . 1 1 66 66 ASN HA H 1 4.540 0.009 . 1 . . . . 66 ASN HA . 6999 1 728 . 1 1 66 66 ASN HB2 H 1 2.008 0.007 . 2 . . . . 66 ASN HB2 . 6999 1 729 . 1 1 66 66 ASN HB3 H 1 2.425 0.011 . 2 . . . . 66 ASN HB3 . 6999 1 730 . 1 1 66 66 ASN HD21 H 1 7.087 0.009 . 2 . . . . 66 ASN HD21 . 6999 1 731 . 1 1 66 66 ASN HD22 H 1 6.514 0.009 . 2 . . . . 66 ASN HD22 . 6999 1 732 . 1 1 66 66 ASN C C 13 174.188 0.000 . 1 . . . . 66 ASN C . 6999 1 733 . 1 1 66 66 ASN CA C 13 52.841 0.062 . 1 . . . . 66 ASN CA . 6999 1 734 . 1 1 66 66 ASN CB C 13 39.243 0.005 . 1 . . . . 66 ASN CB . 6999 1 735 . 1 1 66 66 ASN N N 15 118.214 0.080 . 1 . . . . 66 ASN N . 6999 1 736 . 1 1 66 66 ASN ND2 N 15 114.415 0.208 . 1 . . . . 66 ASN ND2 . 6999 1 737 . 1 1 67 67 LEU H H 1 7.699 0.016 . 1 . . . . 67 LEU H . 6999 1 738 . 1 1 67 67 LEU HA H 1 4.458 0.005 . 1 . . . . 67 LEU HA . 6999 1 739 . 1 1 67 67 LEU C C 13 174.817 0.000 . 1 . . . . 67 LEU C . 6999 1 740 . 1 1 67 67 LEU CA C 13 52.742 0.000 . 1 . . . . 67 LEU CA . 6999 1 741 . 1 1 67 67 LEU CB C 13 42.178 0.000 . 1 . . . . 67 LEU CB . 6999 1 742 . 1 1 67 67 LEU N N 15 123.332 0.054 . 1 . . . . 67 LEU N . 6999 1 743 . 1 1 68 68 PRO HA H 1 4.345 0.000 . 1 . . . . 68 PRO HA . 6999 1 744 . 1 1 68 68 PRO HB2 H 1 1.454 0.009 . 2 . . . . 68 PRO HB2 . 6999 1 745 . 1 1 68 68 PRO HB3 H 1 2.116 0.000 . 2 . . . . 68 PRO HB3 . 6999 1 746 . 1 1 68 68 PRO C C 13 175.972 0.000 . 1 . . . . 68 PRO C . 6999 1 747 . 1 1 68 68 PRO CA C 13 62.069 0.000 . 1 . . . . 68 PRO CA . 6999 1 748 . 1 1 68 68 PRO CB C 13 31.431 0.000 . 1 . . . . 68 PRO CB . 6999 1 749 . 1 1 68 68 PRO CG C 13 27.102 0.000 . 1 . . . . 68 PRO CG . 6999 1 750 . 1 1 68 68 PRO CD C 13 50.369 0.000 . 1 . . . . 68 PRO CD . 6999 1 751 . 1 1 69 69 GLU H H 1 8.413 0.012 . 1 . . . . 69 GLU H . 6999 1 752 . 1 1 69 69 GLU HA H 1 4.109 0.001 . 1 . . . . 69 GLU HA . 6999 1 753 . 1 1 69 69 GLU HB2 H 1 1.993 0.028 . 2 . . . . 69 GLU HB2 . 6999 1 754 . 1 1 69 69 GLU HB3 H 1 2.017 0.026 . 2 . . . . 69 GLU HB3 . 6999 1 755 . 1 1 69 69 GLU HG3 H 1 2.338 0.029 . 1 . . . . 69 GLU HG3 . 6999 1 756 . 1 1 69 69 GLU C C 13 177.852 0.000 . 1 . . . . 69 GLU C . 6999 1 757 . 1 1 69 69 GLU CA C 13 57.949 0.001 . 1 . . . . 69 GLU CA . 6999 1 758 . 1 1 69 69 GLU CB C 13 29.571 0.029 . 1 . . . . 69 GLU CB . 6999 1 759 . 1 1 69 69 GLU CG C 13 36.040 0.000 . 1 . . . . 69 GLU CG . 6999 1 760 . 1 1 69 69 GLU N N 15 121.660 0.059 . 1 . . . . 69 GLU N . 6999 1 761 . 1 1 70 70 GLY H H 1 8.937 0.017 . 1 . . . . 70 GLY H . 6999 1 762 . 1 1 70 70 GLY HA2 H 1 3.928 0.000 . 2 . . . . 70 GLY HA2 . 6999 1 763 . 1 1 70 70 GLY HA3 H 1 3.772 0.011 . 2 . . . . 70 GLY HA3 . 6999 1 764 . 1 1 70 70 GLY C C 13 174.742 0.000 . 1 . . . . 70 GLY C . 6999 1 765 . 1 1 70 70 GLY CA C 13 45.247 0.000 . 1 . . . . 70 GLY CA . 6999 1 766 . 1 1 70 70 GLY N N 15 111.989 0.059 . 1 . . . . 70 GLY N . 6999 1 767 . 1 1 71 71 TYR H H 1 7.984 0.006 . 1 . . . . 71 TYR H . 6999 1 768 . 1 1 71 71 TYR HA H 1 5.015 0.006 . 1 . . . . 71 TYR HA . 6999 1 769 . 1 1 71 71 TYR HB2 H 1 3.026 0.015 . 2 . . . . 71 TYR HB2 . 6999 1 770 . 1 1 71 71 TYR HB3 H 1 2.464 0.005 . 2 . . . . 71 TYR HB3 . 6999 1 771 . 1 1 71 71 TYR HD1 H 1 7.284 0.005 . 1 . . . . 71 TYR HD . 6999 1 772 . 1 1 71 71 TYR HD2 H 1 7.284 0.005 . 1 . . . . 71 TYR HD . 6999 1 773 . 1 1 71 71 TYR HE1 H 1 7.154 0.003 . 1 . . . . 71 TYR HE . 6999 1 774 . 1 1 71 71 TYR HE2 H 1 7.154 0.003 . 1 . . . . 71 TYR HE . 6999 1 775 . 1 1 71 71 TYR C C 13 174.525 0.000 . 1 . . . . 71 TYR C . 6999 1 776 . 1 1 71 71 TYR CA C 13 56.804 0.000 . 1 . . . . 71 TYR CA . 6999 1 777 . 1 1 71 71 TYR CB C 13 40.394 0.043 . 1 . . . . 71 TYR CB . 6999 1 778 . 1 1 71 71 TYR CD1 C 13 131.602 0.041 . 1 . . . . 71 TYR CD . 6999 1 779 . 1 1 71 71 TYR CD2 C 13 131.602 0.041 . 1 . . . . 71 TYR CD . 6999 1 780 . 1 1 71 71 TYR CE1 C 13 119.946 0.000 . 1 . . . . 71 TYR CE . 6999 1 781 . 1 1 71 71 TYR CE2 C 13 119.946 0.000 . 1 . . . . 71 TYR CE . 6999 1 782 . 1 1 71 71 TYR N N 15 121.192 0.054 . 1 . . . . 71 TYR N . 6999 1 783 . 1 1 72 72 ALA H H 1 9.250 0.006 . 1 . . . . 72 ALA H . 6999 1 784 . 1 1 72 72 ALA HA H 1 4.613 0.007 . 1 . . . . 72 ALA HA . 6999 1 785 . 1 1 72 72 ALA HB1 H 1 1.170 0.029 . 1 . . . . 72 ALA HB . 6999 1 786 . 1 1 72 72 ALA HB2 H 1 1.170 0.029 . 1 . . . . 72 ALA HB . 6999 1 787 . 1 1 72 72 ALA HB3 H 1 1.170 0.029 . 1 . . . . 72 ALA HB . 6999 1 788 . 1 1 72 72 ALA C C 13 174.941 0.000 . 1 . . . . 72 ALA C . 6999 1 789 . 1 1 72 72 ALA CA C 13 50.836 0.000 . 1 . . . . 72 ALA CA . 6999 1 790 . 1 1 72 72 ALA CB C 13 22.822 0.000 . 1 . . . . 72 ALA CB . 6999 1 791 . 1 1 72 72 ALA N N 15 121.768 0.066 . 1 . . . . 72 ALA N . 6999 1 792 . 1 1 73 73 ARG H H 1 8.624 0.015 . 1 . . . . 73 ARG H . 6999 1 793 . 1 1 73 73 ARG HA H 1 5.001 0.002 . 1 . . . . 73 ARG HA . 6999 1 794 . 1 1 73 73 ARG HB2 H 1 1.566 0.014 . 2 . . . . 73 ARG HB2 . 6999 1 795 . 1 1 73 73 ARG HB3 H 1 1.722 0.031 . 2 . . . . 73 ARG HB3 . 6999 1 796 . 1 1 73 73 ARG HD3 H 1 3.531 0.000 . 1 . . . . 73 ARG HD3 . 6999 1 797 . 1 1 73 73 ARG C C 13 175.963 0.000 . 1 . . . . 73 ARG C . 6999 1 798 . 1 1 73 73 ARG CA C 13 55.113 0.020 . 1 . . . . 73 ARG CA . 6999 1 799 . 1 1 73 73 ARG CB C 13 30.841 0.000 . 1 . . . . 73 ARG CB . 6999 1 800 . 1 1 73 73 ARG CG C 13 27.881 0.000 . 1 . . . . 73 ARG CG . 6999 1 801 . 1 1 73 73 ARG CD C 13 42.694 0.000 . 1 . . . . 73 ARG CD . 6999 1 802 . 1 1 73 73 ARG N N 15 121.617 0.068 . 1 . . . . 73 ARG N . 6999 1 803 . 1 1 74 74 VAL H H 1 9.188 0.009 . 1 . . . . 74 VAL H . 6999 1 804 . 1 1 74 74 VAL HA H 1 4.611 0.012 . 1 . . . . 74 VAL HA . 6999 1 805 . 1 1 74 74 VAL HB H 1 1.924 0.007 . 1 . . . . 74 VAL HB . 6999 1 806 . 1 1 74 74 VAL HG11 H 1 0.876 0.009 . 2 . . . . 74 VAL HG1 . 6999 1 807 . 1 1 74 74 VAL HG12 H 1 0.876 0.009 . 2 . . . . 74 VAL HG1 . 6999 1 808 . 1 1 74 74 VAL HG13 H 1 0.876 0.009 . 2 . . . . 74 VAL HG1 . 6999 1 809 . 1 1 74 74 VAL HG21 H 1 0.782 0.000 . 2 . . . . 74 VAL HG2 . 6999 1 810 . 1 1 74 74 VAL HG22 H 1 0.782 0.000 . 2 . . . . 74 VAL HG2 . 6999 1 811 . 1 1 74 74 VAL HG23 H 1 0.782 0.000 . 2 . . . . 74 VAL HG2 . 6999 1 812 . 1 1 74 74 VAL C C 13 173.729 0.000 . 1 . . . . 74 VAL C . 6999 1 813 . 1 1 74 74 VAL CA C 13 59.703 0.016 . 1 . . . . 74 VAL CA . 6999 1 814 . 1 1 74 74 VAL CB C 13 35.091 0.001 . 1 . . . . 74 VAL CB . 6999 1 815 . 1 1 74 74 VAL CG2 C 13 20.768 0.000 . 1 . . . . 74 VAL CG2 . 6999 1 816 . 1 1 74 74 VAL N N 15 125.491 0.070 . 1 . . . . 74 VAL N . 6999 1 817 . 1 1 75 75 THR H H 1 8.268 0.019 . 1 . . . . 75 THR H . 6999 1 818 . 1 1 75 75 THR HA H 1 5.526 0.012 . 1 . . . . 75 THR HA . 6999 1 819 . 1 1 75 75 THR HB H 1 3.897 0.010 . 1 . . . . 75 THR HB . 6999 1 820 . 1 1 75 75 THR HG21 H 1 1.120 0.010 . 1 . . . . 75 THR HG1 . 6999 1 821 . 1 1 75 75 THR HG22 H 1 1.120 0.010 . 1 . . . . 75 THR HG1 . 6999 1 822 . 1 1 75 75 THR HG23 H 1 1.120 0.010 . 1 . . . . 75 THR HG1 . 6999 1 823 . 1 1 75 75 THR C C 13 173.549 0.000 . 1 . . . . 75 THR C . 6999 1 824 . 1 1 75 75 THR CA C 13 60.855 0.019 . 1 . . . . 75 THR CA . 6999 1 825 . 1 1 75 75 THR CB C 13 70.574 0.000 . 1 . . . . 75 THR CB . 6999 1 826 . 1 1 75 75 THR CG2 C 13 20.674 0.007 . 1 . . . . 75 THR CG2 . 6999 1 827 . 1 1 75 75 THR N N 15 121.573 0.000 . 1 . . . . 75 THR N . 6999 1 828 . 1 1 76 76 ALA H H 1 9.083 0.009 . 1 . . . . 76 ALA H . 6999 1 829 . 1 1 76 76 ALA HA H 1 4.885 0.007 . 1 . . . . 76 ALA HA . 6999 1 830 . 1 1 76 76 ALA HB1 H 1 1.112 0.033 . 1 . . . . 76 ALA HB . 6999 1 831 . 1 1 76 76 ALA HB2 H 1 1.112 0.033 . 1 . . . . 76 ALA HB . 6999 1 832 . 1 1 76 76 ALA HB3 H 1 1.112 0.033 . 1 . . . . 76 ALA HB . 6999 1 833 . 1 1 76 76 ALA C C 13 174.980 0.000 . 1 . . . . 76 ALA C . 6999 1 834 . 1 1 76 76 ALA CA C 13 50.702 0.010 . 1 . . . . 76 ALA CA . 6999 1 835 . 1 1 76 76 ALA CB C 13 23.286 0.014 . 1 . . . . 76 ALA CB . 6999 1 836 . 1 1 76 76 ALA N N 15 128.305 0.070 . 1 . . . . 76 ALA N . 6999 1 837 . 1 1 77 77 VAL H H 1 8.706 0.006 . 1 . . . . 77 VAL H . 6999 1 838 . 1 1 77 77 VAL HA H 1 4.670 0.011 . 1 . . . . 77 VAL HA . 6999 1 839 . 1 1 77 77 VAL HB H 1 2.035 0.008 . 1 . . . . 77 VAL HB . 6999 1 840 . 1 1 77 77 VAL HG11 H 1 0.886 0.008 . 1 . . . . 77 VAL HG1 . 6999 1 841 . 1 1 77 77 VAL HG12 H 1 0.886 0.008 . 1 . . . . 77 VAL HG1 . 6999 1 842 . 1 1 77 77 VAL HG13 H 1 0.886 0.008 . 1 . . . . 77 VAL HG1 . 6999 1 843 . 1 1 77 77 VAL C C 13 175.596 0.000 . 1 . . . . 77 VAL C . 6999 1 844 . 1 1 77 77 VAL CA C 13 62.388 0.025 . 1 . . . . 77 VAL CA . 6999 1 845 . 1 1 77 77 VAL CB C 13 31.814 0.033 . 1 . . . . 77 VAL CB . 6999 1 846 . 1 1 77 77 VAL CG2 C 13 21.763 0.000 . 1 . . . . 77 VAL CG2 . 6999 1 847 . 1 1 77 77 VAL N N 15 122.809 0.062 . 1 . . . . 77 VAL N . 6999 1 848 . 1 1 78 78 LEU H H 1 8.760 0.008 . 1 . . . . 78 LEU H . 6999 1 849 . 1 1 78 78 LEU HA H 1 5.014 0.009 . 1 . . . . 78 LEU HA . 6999 1 850 . 1 1 78 78 LEU C C 13 173.594 0.000 . 1 . . . . 78 LEU C . 6999 1 851 . 1 1 78 78 LEU CA C 13 50.798 0.012 . 1 . . . . 78 LEU CA . 6999 1 852 . 1 1 78 78 LEU CB C 13 46.802 0.000 . 1 . . . . 78 LEU CB . 6999 1 853 . 1 1 78 78 LEU N N 15 125.313 0.061 . 1 . . . . 78 LEU N . 6999 1 854 . 1 1 79 79 PRO HA H 1 4.193 0.000 . 1 . . . . 79 PRO HA . 6999 1 855 . 1 1 79 79 PRO HB3 H 1 3.240 0.008 . 1 . . . . 79 PRO HB3 . 6999 1 856 . 1 1 79 79 PRO CA C 13 60.509 0.000 . 1 . . . . 79 PRO CA . 6999 1 857 . 1 1 79 79 PRO CB C 13 29.579 0.000 . 1 . . . . 79 PRO CB . 6999 1 858 . 1 1 79 79 PRO CG C 13 33.375 0.000 . 1 . . . . 79 PRO CG . 6999 1 859 . 1 1 80 80 GLU H H 1 8.715 0.026 . 1 . . . . 80 GLU H . 6999 1 860 . 1 1 80 80 GLU HA H 1 3.685 0.011 . 1 . . . . 80 GLU HA . 6999 1 861 . 1 1 80 80 GLU HB3 H 1 1.878 0.000 . 1 . . . . 80 GLU HB3 . 6999 1 862 . 1 1 80 80 GLU CA C 13 60.260 0.000 . 1 . . . . 80 GLU CA . 6999 1 863 . 1 1 80 80 GLU CB C 13 35.906 0.000 . 1 . . . . 80 GLU CB . 6999 1 864 . 1 1 80 80 GLU CG C 13 29.434 0.000 . 1 . . . . 80 GLU CG . 6999 1 865 . 1 1 80 80 GLU N N 15 118.476 0.106 . 1 . . . . 80 GLU N . 6999 1 866 . 1 1 81 81 HIS H H 1 8.500 0.007 . 1 . . . . 81 HIS H . 6999 1 867 . 1 1 81 81 HIS HA H 1 4.336 0.019 . 1 . . . . 81 HIS HA . 6999 1 868 . 1 1 81 81 HIS HB2 H 1 2.936 0.012 . 2 . . . . 81 HIS HB2 . 6999 1 869 . 1 1 81 81 HIS HB3 H 1 3.090 0.026 . 2 . . . . 81 HIS HB3 . 6999 1 870 . 1 1 81 81 HIS HD2 H 1 7.873 0.005 . 1 . . . . 81 HIS HD2 . 6999 1 871 . 1 1 81 81 HIS HE1 H 1 7.040 0.018 . 1 . . . . 81 HIS HE1 . 6999 1 872 . 1 1 81 81 HIS C C 13 177.722 0.000 . 1 . . . . 81 HIS C . 6999 1 873 . 1 1 81 81 HIS CA C 13 59.310 0.000 . 1 . . . . 81 HIS CA . 6999 1 874 . 1 1 81 81 HIS CB C 13 28.717 0.000 . 1 . . . . 81 HIS CB . 6999 1 875 . 1 1 81 81 HIS CE1 C 13 131.650 0.000 . 1 . . . . 81 HIS CE1 . 6999 1 876 . 1 1 81 81 HIS N N 15 114.843 0.073 . 1 . . . . 81 HIS N . 6999 1 877 . 1 1 82 82 GLN H H 1 6.519 0.019 . 1 . . . . 82 GLN H . 6999 1 878 . 1 1 82 82 GLN HA H 1 3.655 0.007 . 1 . . . . 82 GLN HA . 6999 1 879 . 1 1 82 82 GLN HE21 H 1 6.842 0.007 . 2 . . . . 82 GLN HE21 . 6999 1 880 . 1 1 82 82 GLN HE22 H 1 7.506 0.003 . 2 . . . . 82 GLN HE22 . 6999 1 881 . 1 1 82 82 GLN C C 13 177.507 0.000 . 1 . . . . 82 GLN C . 6999 1 882 . 1 1 82 82 GLN CA C 13 57.367 0.013 . 1 . . . . 82 GLN CA . 6999 1 883 . 1 1 82 82 GLN CB C 13 28.575 0.000 . 1 . . . . 82 GLN CB . 6999 1 884 . 1 1 82 82 GLN CG C 13 33.458 0.000 . 1 . . . . 82 GLN CG . 6999 1 885 . 1 1 82 82 GLN N N 15 118.527 0.052 . 1 . . . . 82 GLN N . 6999 1 886 . 1 1 82 82 GLN NE2 N 15 111.832 0.043 . 1 . . . . 82 GLN NE2 . 6999 1 887 . 1 1 83 83 ALA H H 1 7.977 0.006 . 1 . . . . 83 ALA H . 6999 1 888 . 1 1 83 83 ALA HA H 1 3.713 0.020 . 1 . . . . 83 ALA HA . 6999 1 889 . 1 1 83 83 ALA HB1 H 1 1.227 0.012 . 1 . . . . 83 ALA HB . 6999 1 890 . 1 1 83 83 ALA HB2 H 1 1.227 0.012 . 1 . . . . 83 ALA HB . 6999 1 891 . 1 1 83 83 ALA HB3 H 1 1.227 0.012 . 1 . . . . 83 ALA HB . 6999 1 892 . 1 1 83 83 ALA C C 13 178.645 0.000 . 1 . . . . 83 ALA C . 6999 1 893 . 1 1 83 83 ALA CA C 13 55.558 0.054 . 1 . . . . 83 ALA CA . 6999 1 894 . 1 1 83 83 ALA CB C 13 17.583 0.038 . 1 . . . . 83 ALA CB . 6999 1 895 . 1 1 83 83 ALA N N 15 123.185 0.048 . 1 . . . . 83 ALA N . 6999 1 896 . 1 1 84 84 TYR H H 1 7.849 0.011 . 1 . . . . 84 TYR H . 6999 1 897 . 1 1 84 84 TYR HA H 1 4.029 0.004 . 1 . . . . 84 TYR HA . 6999 1 898 . 1 1 84 84 TYR HB2 H 1 3.071 0.008 . 2 . . . . 84 TYR HB2 . 6999 1 899 . 1 1 84 84 TYR HB3 H 1 3.011 0.027 . 2 . . . . 84 TYR HB3 . 6999 1 900 . 1 1 84 84 TYR HD1 H 1 7.059 0.004 . 1 . . . . 84 TYR HD . 6999 1 901 . 1 1 84 84 TYR HD2 H 1 7.059 0.004 . 1 . . . . 84 TYR HD . 6999 1 902 . 1 1 84 84 TYR HE1 H 1 6.784 0.010 . 1 . . . . 84 TYR HE . 6999 1 903 . 1 1 84 84 TYR HE2 H 1 6.784 0.010 . 1 . . . . 84 TYR HE . 6999 1 904 . 1 1 84 84 TYR C C 13 178.113 0.000 . 1 . . . . 84 TYR C . 6999 1 905 . 1 1 84 84 TYR CA C 13 61.010 0.019 . 1 . . . . 84 TYR CA . 6999 1 906 . 1 1 84 84 TYR CB C 13 38.062 0.182 . 1 . . . . 84 TYR CB . 6999 1 907 . 1 1 84 84 TYR CD1 C 13 133.204 0.060 . 1 . . . . 84 TYR CD . 6999 1 908 . 1 1 84 84 TYR CD2 C 13 133.204 0.060 . 1 . . . . 84 TYR CD . 6999 1 909 . 1 1 84 84 TYR CE1 C 13 118.016 0.015 . 1 . . . . 84 TYR CE . 6999 1 910 . 1 1 84 84 TYR CE2 C 13 118.016 0.015 . 1 . . . . 84 TYR CE . 6999 1 911 . 1 1 84 84 TYR N N 15 115.407 0.147 . 1 . . . . 84 TYR N . 6999 1 912 . 1 1 85 85 ILE H H 1 6.802 0.010 . 1 . . . . 85 ILE H . 6999 1 913 . 1 1 85 85 ILE HA H 1 3.236 0.008 . 1 . . . . 85 ILE HA . 6999 1 914 . 1 1 85 85 ILE HB H 1 1.696 0.019 . 1 . . . . 85 ILE HB . 6999 1 915 . 1 1 85 85 ILE HG21 H 1 -0.087 0.003 . 1 . . . . 85 ILE HG2 . 6999 1 916 . 1 1 85 85 ILE HG22 H 1 -0.087 0.003 . 1 . . . . 85 ILE HG2 . 6999 1 917 . 1 1 85 85 ILE HG23 H 1 -0.087 0.003 . 1 . . . . 85 ILE HG2 . 6999 1 918 . 1 1 85 85 ILE HD11 H 1 0.762 0.012 . 1 . . . . 85 ILE HD1 . 6999 1 919 . 1 1 85 85 ILE HD12 H 1 0.762 0.012 . 1 . . . . 85 ILE HD1 . 6999 1 920 . 1 1 85 85 ILE HD13 H 1 0.762 0.012 . 1 . . . . 85 ILE HD1 . 6999 1 921 . 1 1 85 85 ILE C C 13 176.924 0.000 . 1 . . . . 85 ILE C . 6999 1 922 . 1 1 85 85 ILE CA C 13 64.367 0.051 . 1 . . . . 85 ILE CA . 6999 1 923 . 1 1 85 85 ILE CB C 13 37.553 0.000 . 1 . . . . 85 ILE CB . 6999 1 924 . 1 1 85 85 ILE CG1 C 13 28.351 0.000 . 1 . . . . 85 ILE CG1 . 6999 1 925 . 1 1 85 85 ILE CG2 C 13 15.902 0.004 . 1 . . . . 85 ILE CG2 . 6999 1 926 . 1 1 85 85 ILE CD1 C 13 12.760 0.000 . 1 . . . . 85 ILE CD1 . 6999 1 927 . 1 1 85 85 ILE N N 15 120.278 0.076 . 1 . . . . 85 ILE N . 6999 1 928 . 1 1 86 86 VAL H H 1 7.635 0.009 . 1 . . . . 86 VAL H . 6999 1 929 . 1 1 86 86 VAL HA H 1 3.243 0.006 . 1 . . . . 86 VAL HA . 6999 1 930 . 1 1 86 86 VAL HB H 1 2.081 0.004 . 1 . . . . 86 VAL HB . 6999 1 931 . 1 1 86 86 VAL HG11 H 1 0.995 0.015 . 2 . . . . 86 VAL HG1 . 6999 1 932 . 1 1 86 86 VAL HG12 H 1 0.995 0.015 . 2 . . . . 86 VAL HG1 . 6999 1 933 . 1 1 86 86 VAL HG13 H 1 0.995 0.015 . 2 . . . . 86 VAL HG1 . 6999 1 934 . 1 1 86 86 VAL HG21 H 1 1.661 1.987 . 2 . . . . 86 VAL HG2 . 6999 1 935 . 1 1 86 86 VAL HG22 H 1 1.661 1.987 . 2 . . . . 86 VAL HG2 . 6999 1 936 . 1 1 86 86 VAL HG23 H 1 1.661 1.987 . 2 . . . . 86 VAL HG2 . 6999 1 937 . 1 1 86 86 VAL C C 13 177.626 0.000 . 1 . . . . 86 VAL C . 6999 1 938 . 1 1 86 86 VAL CA C 13 66.865 0.005 . 1 . . . . 86 VAL CA . 6999 1 939 . 1 1 86 86 VAL CB C 13 31.048 0.000 . 1 . . . . 86 VAL CB . 6999 1 940 . 1 1 86 86 VAL CG1 C 13 22.613 0.000 . 2 . . . . 86 VAL CG1 . 6999 1 941 . 1 1 86 86 VAL CG2 C 13 24.889 0.000 . 2 . . . . 86 VAL CG2 . 6999 1 942 . 1 1 86 86 VAL N N 15 118.528 0.055 . 1 . . . . 86 VAL N . 6999 1 943 . 1 1 87 87 ARG H H 1 7.851 0.012 . 1 . . . . 87 ARG H . 6999 1 944 . 1 1 87 87 ARG HA H 1 4.066 0.006 . 1 . . . . 87 ARG HA . 6999 1 945 . 1 1 87 87 ARG HB3 H 1 1.859 0.000 . 1 . . . . 87 ARG HB3 . 6999 1 946 . 1 1 87 87 ARG C C 13 179.988 0.000 . 1 . . . . 87 ARG C . 6999 1 947 . 1 1 87 87 ARG CA C 13 59.595 0.034 . 1 . . . . 87 ARG CA . 6999 1 948 . 1 1 87 87 ARG CB C 13 29.867 0.033 . 1 . . . . 87 ARG CB . 6999 1 949 . 1 1 87 87 ARG CG C 13 28.114 0.000 . 1 . . . . 87 ARG CG . 6999 1 950 . 1 1 87 87 ARG CD C 13 43.450 0.000 . 1 . . . . 87 ARG CD . 6999 1 951 . 1 1 87 87 ARG N N 15 117.129 0.079 . 1 . . . . 87 ARG N . 6999 1 952 . 1 1 88 88 LYS H H 1 7.546 0.010 . 1 . . . . 88 LYS H . 6999 1 953 . 1 1 88 88 LYS HA H 1 4.124 0.006 . 1 . . . . 88 LYS HA . 6999 1 954 . 1 1 88 88 LYS HB3 H 1 1.745 0.000 . 1 . . . . 88 LYS HB3 . 6999 1 955 . 1 1 88 88 LYS C C 13 178.845 0.000 . 1 . . . . 88 LYS C . 6999 1 956 . 1 1 88 88 LYS CA C 13 59.360 0.000 . 1 . . . . 88 LYS CA . 6999 1 957 . 1 1 88 88 LYS CB C 13 31.488 0.042 . 1 . . . . 88 LYS CB . 6999 1 958 . 1 1 88 88 LYS CG C 13 24.677 0.000 . 1 . . . . 88 LYS CG . 6999 1 959 . 1 1 88 88 LYS CD C 13 29.023 0.000 . 1 . . . . 88 LYS CD . 6999 1 960 . 1 1 88 88 LYS CE C 13 42.184 0.000 . 1 . . . . 88 LYS CE . 6999 1 961 . 1 1 88 88 LYS N N 15 122.799 0.083 . 1 . . . . 88 LYS N . 6999 1 962 . 1 1 89 89 TRP H H 1 8.882 0.007 . 1 . . . . 89 TRP H . 6999 1 963 . 1 1 89 89 TRP HA H 1 4.749 0.007 . 1 . . . . 89 TRP HA . 6999 1 964 . 1 1 89 89 TRP HB3 H 1 1.985 0.000 . 1 . . . . 89 TRP HB3 . 6999 1 965 . 1 1 89 89 TRP HD1 H 1 7.133 0.000 . 1 . . . . 89 TRP HD1 . 6999 1 966 . 1 1 89 89 TRP HE1 H 1 9.853 0.006 . 1 . . . . 89 TRP HE1 . 6999 1 967 . 1 1 89 89 TRP HE3 H 1 6.503 0.004 . 1 . . . . 89 TRP HE3 . 6999 1 968 . 1 1 89 89 TRP HZ2 H 1 7.468 0.005 . 1 . . . . 89 TRP HZ2 . 6999 1 969 . 1 1 89 89 TRP HZ3 H 1 6.875 0.000 . 1 . . . . 89 TRP HZ3 . 6999 1 970 . 1 1 89 89 TRP HH2 H 1 6.859 0.006 . 1 . . . . 89 TRP HH2 . 6999 1 971 . 1 1 89 89 TRP C C 13 181.112 0.000 . 1 . . . . 89 TRP C . 6999 1 972 . 1 1 89 89 TRP CA C 13 57.636 0.010 . 1 . . . . 89 TRP CA . 6999 1 973 . 1 1 89 89 TRP CB C 13 29.356 0.191 . 1 . . . . 89 TRP CB . 6999 1 974 . 1 1 89 89 TRP CE3 C 13 120.777 0.029 . 1 . . . . 89 TRP CE3 . 6999 1 975 . 1 1 89 89 TRP CZ2 C 13 114.238 0.003 . 1 . . . . 89 TRP CZ2 . 6999 1 976 . 1 1 89 89 TRP CZ3 C 13 119.052 0.000 . 1 . . . . 89 TRP CZ3 . 6999 1 977 . 1 1 89 89 TRP CH2 C 13 125.261 0.017 . 1 . . . . 89 TRP CH2 . 6999 1 978 . 1 1 89 89 TRP N N 15 121.555 0.074 . 1 . . . . 89 TRP N . 6999 1 979 . 1 1 89 89 TRP NE1 N 15 126.134 0.034 . 1 . . . . 89 TRP NE1 . 6999 1 980 . 1 1 90 90 GLU H H 1 8.880 0.008 . 1 . . . . 90 GLU H . 6999 1 981 . 1 1 90 90 GLU HA H 1 4.123 0.005 . 1 . . . . 90 GLU HA . 6999 1 982 . 1 1 90 90 GLU HB3 H 1 2.092 0.000 . 1 . . . . 90 GLU HB3 . 6999 1 983 . 1 1 90 90 GLU C C 13 178.441 0.000 . 1 . . . . 90 GLU C . 6999 1 984 . 1 1 90 90 GLU CA C 13 59.744 0.038 . 1 . . . . 90 GLU CA . 6999 1 985 . 1 1 90 90 GLU CB C 13 30.276 0.020 . 1 . . . . 90 GLU CB . 6999 1 986 . 1 1 90 90 GLU CG C 13 36.907 0.000 . 1 . . . . 90 GLU CG . 6999 1 987 . 1 1 90 90 GLU N N 15 121.537 0.075 . 1 . . . . 90 GLU N . 6999 1 988 . 1 1 91 91 ALA H H 1 7.857 0.005 . 1 . . . . 91 ALA H . 6999 1 989 . 1 1 91 91 ALA HA H 1 4.213 0.004 . 1 . . . . 91 ALA HA . 6999 1 990 . 1 1 91 91 ALA HB1 H 1 1.627 0.001 . 1 . . . . 91 ALA HB . 6999 1 991 . 1 1 91 91 ALA HB2 H 1 1.627 0.001 . 1 . . . . 91 ALA HB . 6999 1 992 . 1 1 91 91 ALA HB3 H 1 1.627 0.001 . 1 . . . . 91 ALA HB . 6999 1 993 . 1 1 91 91 ALA C C 13 181.174 0.000 . 1 . . . . 91 ALA C . 6999 1 994 . 1 1 91 91 ALA CA C 13 55.188 0.038 . 1 . . . . 91 ALA CA . 6999 1 995 . 1 1 91 91 ALA CB C 13 18.103 0.017 . 1 . . . . 91 ALA CB . 6999 1 996 . 1 1 91 91 ALA N N 15 122.591 0.073 . 1 . . . . 91 ALA N . 6999 1 997 . 1 1 92 92 ASP H H 1 8.794 0.015 . 1 . . . . 92 ASP H . 6999 1 998 . 1 1 92 92 ASP HA H 1 4.479 0.002 . 1 . . . . 92 ASP HA . 6999 1 999 . 1 1 92 92 ASP HB2 H 1 2.753 0.000 . 2 . . . . 92 ASP HB2 . 6999 1 1000 . 1 1 92 92 ASP HB3 H 1 2.942 0.000 . 2 . . . . 92 ASP HB3 . 6999 1 1001 . 1 1 92 92 ASP C C 13 178.802 0.000 . 1 . . . . 92 ASP C . 6999 1 1002 . 1 1 92 92 ASP CA C 13 57.015 0.000 . 1 . . . . 92 ASP CA . 6999 1 1003 . 1 1 92 92 ASP CB C 13 40.519 0.000 . 1 . . . . 92 ASP CB . 6999 1 1004 . 1 1 92 92 ASP N N 15 119.693 0.048 . 1 . . . . 92 ASP N . 6999 1 1005 . 1 1 93 93 ALA H H 1 8.023 0.008 . 1 . . . . 93 ALA H . 6999 1 1006 . 1 1 93 93 ALA HA H 1 4.353 0.007 . 1 . . . . 93 ALA HA . 6999 1 1007 . 1 1 93 93 ALA HB1 H 1 1.789 0.016 . 1 . . . . 93 ALA HB . 6999 1 1008 . 1 1 93 93 ALA HB2 H 1 1.789 0.016 . 1 . . . . 93 ALA HB . 6999 1 1009 . 1 1 93 93 ALA HB3 H 1 1.789 0.016 . 1 . . . . 93 ALA HB . 6999 1 1010 . 1 1 93 93 ALA C C 13 179.753 0.000 . 1 . . . . 93 ALA C . 6999 1 1011 . 1 1 93 93 ALA CA C 13 54.189 0.023 . 1 . . . . 93 ALA CA . 6999 1 1012 . 1 1 93 93 ALA CB C 13 18.325 0.041 . 1 . . . . 93 ALA CB . 6999 1 1013 . 1 1 93 93 ALA N N 15 121.625 0.054 . 1 . . . . 93 ALA N . 6999 1 1014 . 1 1 94 94 LYS H H 1 7.932 0.007 . 1 . . . . 94 LYS H . 6999 1 1015 . 1 1 94 94 LYS HA H 1 4.164 0.002 . 1 . . . . 94 LYS HA . 6999 1 1016 . 1 1 94 94 LYS HB2 H 1 1.961 0.008 . 2 . . . . 94 LYS HB2 . 6999 1 1017 . 1 1 94 94 LYS HB3 H 1 2.013 0.000 . 2 . . . . 94 LYS HB3 . 6999 1 1018 . 1 1 94 94 LYS HG2 H 1 1.756 0.033 . 1 . . . . 94 LYS HG2 . 6999 1 1019 . 1 1 94 94 LYS HD3 H 1 1.520 0.004 . 1 . . . . 94 LYS HD3 . 6999 1 1020 . 1 1 94 94 LYS C C 13 178.928 0.000 . 1 . . . . 94 LYS C . 6999 1 1021 . 1 1 94 94 LYS CA C 13 58.345 0.008 . 1 . . . . 94 LYS CA . 6999 1 1022 . 1 1 94 94 LYS CB C 13 33.827 0.000 . 1 . . . . 94 LYS CB . 6999 1 1023 . 1 1 94 94 LYS CG C 13 25.150 0.000 . 1 . . . . 94 LYS CG . 6999 1 1024 . 1 1 94 94 LYS CD C 13 29.260 0.000 . 1 . . . . 94 LYS CD . 6999 1 1025 . 1 1 94 94 LYS CE C 13 42.089 0.000 . 1 . . . . 94 LYS CE . 6999 1 1026 . 1 1 94 94 LYS N N 15 118.983 0.054 . 1 . . . . 94 LYS N . 6999 1 1027 . 1 1 95 95 LYS H H 1 7.787 0.006 . 1 . . . . 95 LYS H . 6999 1 1028 . 1 1 95 95 LYS HA H 1 4.215 0.003 . 1 . . . . 95 LYS HA . 6999 1 1029 . 1 1 95 95 LYS HB2 H 1 1.743 0.007 . 2 . . . . 95 LYS HB2 . 6999 1 1030 . 1 1 95 95 LYS HB3 H 1 1.942 0.003 . 2 . . . . 95 LYS HB3 . 6999 1 1031 . 1 1 95 95 LYS HG2 H 1 1.495 0.024 . 2 . . . . 95 LYS HG2 . 6999 1 1032 . 1 1 95 95 LYS HG3 H 1 1.571 0.006 . 2 . . . . 95 LYS HG3 . 6999 1 1033 . 1 1 95 95 LYS HD3 H 1 1.711 0.020 . 1 . . . . 95 LYS HD3 . 6999 1 1034 . 1 1 95 95 LYS HE2 H 1 3.007 0.010 . 1 . . . . 95 LYS HE2 . 6999 1 1035 . 1 1 95 95 LYS C C 13 178.220 0.000 . 1 . . . . 95 LYS C . 6999 1 1036 . 1 1 95 95 LYS CA C 13 57.768 0.022 . 1 . . . . 95 LYS CA . 6999 1 1037 . 1 1 95 95 LYS CB C 13 32.717 0.036 . 1 . . . . 95 LYS CB . 6999 1 1038 . 1 1 95 95 LYS CG C 13 24.820 0.000 . 1 . . . . 95 LYS CG . 6999 1 1039 . 1 1 95 95 LYS CD C 13 29.034 0.000 . 1 . . . . 95 LYS CD . 6999 1 1040 . 1 1 95 95 LYS CE C 13 42.081 0.000 . 1 . . . . 95 LYS CE . 6999 1 1041 . 1 1 95 95 LYS N N 15 119.525 0.059 . 1 . . . . 95 LYS N . 6999 1 1042 . 1 1 96 96 LYS H H 1 7.916 0.007 . 1 . . . . 96 LYS H . 6999 1 1043 . 1 1 96 96 LYS HA H 1 4.224 0.002 . 1 . . . . 96 LYS HA . 6999 1 1044 . 1 1 96 96 LYS HB2 H 1 1.917 0.007 . 2 . . . . 96 LYS HB2 . 6999 1 1045 . 1 1 96 96 LYS HB3 H 1 1.968 0.006 . 2 . . . . 96 LYS HB3 . 6999 1 1046 . 1 1 96 96 LYS HD3 H 1 1.549 0.002 . 1 . . . . 96 LYS HD3 . 6999 1 1047 . 1 1 96 96 LYS C C 13 177.628 0.000 . 1 . . . . 96 LYS C . 6999 1 1048 . 1 1 96 96 LYS CA C 13 57.390 0.025 . 1 . . . . 96 LYS CA . 6999 1 1049 . 1 1 96 96 LYS CB C 13 32.489 0.000 . 1 . . . . 96 LYS CB . 6999 1 1050 . 1 1 96 96 LYS CG C 13 24.868 0.000 . 1 . . . . 96 LYS CG . 6999 1 1051 . 1 1 96 96 LYS CD C 13 28.918 0.000 . 1 . . . . 96 LYS CD . 6999 1 1052 . 1 1 96 96 LYS CE C 13 38.784 0.000 . 1 . . . . 96 LYS CE . 6999 1 1053 . 1 1 96 96 LYS N N 15 119.966 0.063 . 1 . . . . 96 LYS N . 6999 1 1054 . 1 1 97 97 GLN H H 1 7.999 0.007 . 1 . . . . 97 GLN H . 6999 1 1055 . 1 1 97 97 GLN HA H 1 4.257 0.031 . 1 . . . . 97 GLN HA . 6999 1 1056 . 1 1 97 97 GLN HB2 H 1 1.997 0.044 . 2 . . . . 97 GLN HB2 . 6999 1 1057 . 1 1 97 97 GLN HB3 H 1 2.118 0.017 . 2 . . . . 97 GLN HB3 . 6999 1 1058 . 1 1 97 97 GLN HG2 H 1 2.326 0.026 . 2 . . . . 97 GLN HG2 . 6999 1 1059 . 1 1 97 97 GLN HG3 H 1 2.383 0.015 . 2 . . . . 97 GLN HG3 . 6999 1 1060 . 1 1 97 97 GLN HE21 H 1 7.074 0.007 . 2 . . . . 97 GLN HE21 . 6999 1 1061 . 1 1 97 97 GLN HE22 H 1 6.635 0.005 . 2 . . . . 97 GLN HE22 . 6999 1 1062 . 1 1 97 97 GLN C C 13 176.693 0.000 . 1 . . . . 97 GLN C . 6999 1 1063 . 1 1 97 97 GLN CA C 13 56.432 0.000 . 1 . . . . 97 GLN CA . 6999 1 1064 . 1 1 97 97 GLN CB C 13 29.171 0.000 . 1 . . . . 97 GLN CB . 6999 1 1065 . 1 1 97 97 GLN CG C 13 33.752 0.000 . 1 . . . . 97 GLN CG . 6999 1 1066 . 1 1 97 97 GLN CD C 13 179.980 0.009 . 1 . . . . 97 GLN CD . 6999 1 1067 . 1 1 97 97 GLN N N 15 119.271 0.075 . 1 . . . . 97 GLN N . 6999 1 1068 . 1 1 97 97 GLN NE2 N 15 110.666 0.215 . 1 . . . . 97 GLN NE2 . 6999 1 1069 . 1 1 98 98 GLU H H 1 8.139 0.007 . 1 . . . . 98 GLU H . 6999 1 1070 . 1 1 98 98 GLU HA H 1 4.314 0.008 . 1 . . . . 98 GLU HA . 6999 1 1071 . 1 1 98 98 GLU HB2 H 1 2.068 0.021 . 2 . . . . 98 GLU HB2 . 6999 1 1072 . 1 1 98 98 GLU HB3 H 1 2.092 0.033 . 2 . . . . 98 GLU HB3 . 6999 1 1073 . 1 1 98 98 GLU HG2 H 1 2.389 0.012 . 2 . . . . 98 GLU HG2 . 6999 1 1074 . 1 1 98 98 GLU HG3 H 1 2.291 0.009 . 2 . . . . 98 GLU HG3 . 6999 1 1075 . 1 1 98 98 GLU C C 13 176.800 0.000 . 1 . . . . 98 GLU C . 6999 1 1076 . 1 1 98 98 GLU CA C 13 56.900 0.000 . 1 . . . . 98 GLU CA . 6999 1 1077 . 1 1 98 98 GLU CB C 13 30.321 0.035 . 1 . . . . 98 GLU CB . 6999 1 1078 . 1 1 98 98 GLU CG C 13 36.208 0.000 . 1 . . . . 98 GLU CG . 6999 1 1079 . 1 1 98 98 GLU N N 15 120.658 0.069 . 1 . . . . 98 GLU N . 6999 1 1080 . 1 1 99 99 THR H H 1 8.031 0.008 . 1 . . . . 99 THR H . 6999 1 1081 . 1 1 99 99 THR HA H 1 4.313 0.004 . 1 . . . . 99 THR HA . 6999 1 1082 . 1 1 99 99 THR HB H 1 4.229 0.001 . 1 . . . . 99 THR HB . 6999 1 1083 . 1 1 99 99 THR HG21 H 1 1.237 0.004 . 1 . . . . 99 THR HG1 . 6999 1 1084 . 1 1 99 99 THR HG22 H 1 1.237 0.004 . 1 . . . . 99 THR HG1 . 6999 1 1085 . 1 1 99 99 THR HG23 H 1 1.237 0.004 . 1 . . . . 99 THR HG1 . 6999 1 1086 . 1 1 99 99 THR C C 13 174.462 0.000 . 1 . . . . 99 THR C . 6999 1 1087 . 1 1 99 99 THR CA C 13 62.130 0.024 . 1 . . . . 99 THR CA . 6999 1 1088 . 1 1 99 99 THR CB C 13 69.752 0.003 . 1 . . . . 99 THR CB . 6999 1 1089 . 1 1 99 99 THR CG2 C 13 21.526 0.000 . 1 . . . . 99 THR CG2 . 6999 1 1090 . 1 1 99 99 THR N N 15 114.689 0.056 . 1 . . . . 99 THR N . 6999 1 1091 . 1 1 100 100 LYS H H 1 8.218 0.012 . 1 . . . . 100 LYS H . 6999 1 1092 . 1 1 100 100 LYS HA H 1 4.323 0.044 . 1 . . . . 100 LYS HA . 6999 1 1093 . 1 1 100 100 LYS HB2 H 1 1.848 0.040 . 2 . . . . 100 LYS HB2 . 6999 1 1094 . 1 1 100 100 LYS HB3 H 1 1.827 0.041 . 2 . . . . 100 LYS HB3 . 6999 1 1095 . 1 1 100 100 LYS HG2 H 1 1.454 0.006 . 1 . . . . 100 LYS HG2 . 6999 1 1096 . 1 1 100 100 LYS HD3 H 1 1.684 0.000 . 1 . . . . 100 LYS HD3 . 6999 1 1097 . 1 1 100 100 LYS HE2 H 1 2.999 0.000 . 1 . . . . 100 LYS HE2 . 6999 1 1098 . 1 1 100 100 LYS C C 13 175.579 0.000 . 1 . . . . 100 LYS C . 6999 1 1099 . 1 1 100 100 LYS CA C 13 56.326 0.006 . 1 . . . . 100 LYS CA . 6999 1 1100 . 1 1 100 100 LYS CB C 13 32.765 0.000 . 1 . . . . 100 LYS CB . 6999 1 1101 . 1 1 100 100 LYS CG C 13 24.816 0.000 . 1 . . . . 100 LYS CG . 6999 1 1102 . 1 1 100 100 LYS CD C 13 29.025 0.000 . 1 . . . . 100 LYS CD . 6999 1 1103 . 1 1 100 100 LYS N N 15 124.627 0.054 . 1 . . . . 100 LYS N . 6999 1 1104 . 1 1 101 101 ARG H H 1 7.974 0.014 . 1 . . . . 101 ARG H . 6999 1 1105 . 1 1 101 101 ARG HA H 1 4.183 0.013 . 1 . . . . 101 ARG HA . 6999 1 1106 . 1 1 101 101 ARG HB3 H 1 1.843 0.009 . 1 . . . . 101 ARG HB3 . 6999 1 1107 . 1 1 101 101 ARG HG2 H 1 1.604 0.006 . 2 . . . . 101 ARG HG2 . 6999 1 1108 . 1 1 101 101 ARG HG3 H 1 1.684 0.043 . 2 . . . . 101 ARG HG3 . 6999 1 1109 . 1 1 101 101 ARG HD3 H 1 3.183 0.001 . 1 . . . . 101 ARG HD3 . 6999 1 1110 . 1 1 101 101 ARG C C 13 181.091 0.000 . 1 . . . . 101 ARG C . 6999 1 1111 . 1 1 101 101 ARG CA C 13 57.355 0.000 . 1 . . . . 101 ARG CA . 6999 1 1112 . 1 1 101 101 ARG CB C 13 31.681 0.000 . 1 . . . . 101 ARG CB . 6999 1 1113 . 1 1 101 101 ARG N N 15 128.105 0.070 . 1 . . . . 101 ARG N . 6999 1 stop_ save_