data_4269 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4269 _Entry.Title ; 1H, 15N and 13C Chemical Shift Assignments for the Catalytic Core of Resolvase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-11-18 _Entry.Accession_date 1998-11-18 _Entry.Last_release_date 1999-10-14 _Entry.Original_release_date 1999-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Borlan Pan . . . 4269 2 Greg Mullen . P. . 4269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 696 4269 '13C chemical shifts' 411 4269 '15N chemical shifts' 109 4269 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-14 1998-11-18 original author . 4269 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4269 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99229459 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Pan, B., and Mullen, G. P., "1H, 15N and 13C Chemical Shift Assignments for the Catalytic Core of Resolvase," J. Biomol. NMR 13, 307-308 (1999). ; _Citation.Title '1H, 15N and 13C Chemical Shift Assignments for the Catalytic Core of Resolvase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 307 _Citation.Page_last 308 _Citation.Year 1999 _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 Borlan Pan . . . 4269 1 2 Greg Mullen . P. . 4269 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID resolvase 4269 1 recombination 4269 1 DNA, 4269 1 Protein 4269 1 NMR 4269 1 Structure 4269 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_resolvase _Assembly.Sf_category assembly _Assembly.Sf_framecode resolvase _Assembly.Entry_ID 4269 _Assembly.ID 1 _Assembly.Name 'gamma delta resolvase catalytic core' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4269 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 resolvase 1 $resolvase_catalytic_core . . . native . . . . . 4269 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'gamma delta resolvase catalytic core' system 4269 1 resolvase abbreviation 4269 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID recombinase 4269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_resolvase_catalytic_core _Entity.Sf_category entity _Entity.Sf_framecode resolvase_catalytic_core _Entity.Entry_ID 4269 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name resolvase _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 ; MRLFGYARVSTSQQSLDIQV RALKDAGVKANRIFTDKASG SSSDRKGLDLLRMKVEEGDV ILVKKLDRLGRDTADMIQLI KEFDAQGVSIRFIDDGISTD GEMGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11608 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Tryptic fragment of I110R monomeric mutant' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GDR . "Model For A Dna Mediated Synaptic Complex Suggested By Crystal Packing Of Gamma Delta Resolvase Subunits" . . . . . 100.00 140 100.00 100.00 6.63e-65 . . . . 4269 1 2 no PDB 1GDT . "Crystal Structure Of A Site-Specific Recombinase, Gamma- Delta Resolvase Complexed With A 34 Bp Cleavage Site" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 3 no PDB 1GHT . "Solution Structure Of The Catalytic Domain Of Gamma Delta Resolvase" . . . . . 100.00 105 100.00 100.00 1.26e-64 . . . . 4269 1 4 no PDB 1HX7 . "Solution Structure Of The Catalytic Domain Of Gamma Delta Resolvase" . . . . . 100.00 105 100.00 100.00 1.26e-64 . . . . 4269 1 5 no PDB 2RSL . "Refinement Of Gamma Delta Resolvase Reveals A Strikingly Flexible Molecule" . . . . . 100.00 140 100.00 100.00 6.63e-65 . . . . 4269 1 6 no DBJ BAA03915 . "resolvase [Escherichia coli]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 7 no DBJ BAA97879 . "tnpR [Escherichia coli K-12]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 8 no EMBL CAA42759 . "resolvase [Escherichia coli]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 9 no EMBL CTC93933 . "inversion of adjacent DNA%3B at locus of e14 element [Shigella sonnei]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 10 no EMBL CUH58641 . "hypothetical protein KRX_4320 [Escherichia coli KRX]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 11 no GB AAZ05410 . "TnpR [Cloning vector pCE70]" . . . . . 100.00 183 98.10 98.10 6.00e-63 . . . . 4269 1 12 no GB ABX47149 . "gamma-delta resolvase [Cloning vector pVMG-TnpR]" . . . . . 100.00 183 99.05 99.05 3.44e-64 . . . . 4269 1 13 no GB ABX47153 . "gamma-delta resolvase [Cloning vector pVMGCRT85]" . . . . . 100.00 183 99.05 99.05 3.44e-64 . . . . 4269 1 14 no GB ACB02468 . "resolvase [Escherichia coli str. K-12 substr. DH10B]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 15 no GB ACT33552 . "putative transposon resolvase [Escherichia coli Vir68]" . . . . . 100.00 210 100.00 100.00 3.55e-64 . . . . 4269 1 16 no PRF 0812253A . "resolvase gamma delta" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 17 no REF NP_061388 . "tnpR [Escherichia coli K-12]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 18 no REF WP_001235704 . "MULTISPECIES: transposase [Bacteria]" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 19 no REF WP_001749204 . "transposase [Salmonella enterica]" . . . . . 100.00 183 99.05 99.05 5.79e-64 . . . . 4269 1 20 no REF WP_005766999 . "transposon gamma-delta resolvase [Escherichia coli]" . . . . . 100.00 174 98.10 99.05 1.79e-62 . . . . 4269 1 21 no REF WP_010129789 . "resolvase, partial [Haemophilus sputorum]" . . . . . 100.00 144 100.00 100.00 9.35e-65 . . . . 4269 1 22 no SP P03012 . "RecName: Full=Transposon gamma-delta resolvase; AltName: Full=Transposon Tn1000 resolvase" . . . . . 100.00 183 100.00 100.00 8.00e-65 . . . . 4269 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID resolvase common 4269 1 'gamma delta' variant 4269 1 resolvase abbreviation 4269 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 . 4269 1 2 . ARG . 4269 1 3 . LEU . 4269 1 4 . PHE . 4269 1 5 . GLY . 4269 1 6 . TYR . 4269 1 7 . ALA . 4269 1 8 . ARG . 4269 1 9 . VAL . 4269 1 10 . SER . 4269 1 11 . THR . 4269 1 12 . SER . 4269 1 13 . GLN . 4269 1 14 . GLN . 4269 1 15 . SER . 4269 1 16 . LEU . 4269 1 17 . ASP . 4269 1 18 . ILE . 4269 1 19 . GLN . 4269 1 20 . VAL . 4269 1 21 . ARG . 4269 1 22 . ALA . 4269 1 23 . LEU . 4269 1 24 . LYS . 4269 1 25 . ASP . 4269 1 26 . ALA . 4269 1 27 . GLY . 4269 1 28 . VAL . 4269 1 29 . LYS . 4269 1 30 . ALA . 4269 1 31 . ASN . 4269 1 32 . ARG . 4269 1 33 . ILE . 4269 1 34 . PHE . 4269 1 35 . THR . 4269 1 36 . ASP . 4269 1 37 . LYS . 4269 1 38 . ALA . 4269 1 39 . SER . 4269 1 40 . GLY . 4269 1 41 . SER . 4269 1 42 . SER . 4269 1 43 . SER . 4269 1 44 . ASP . 4269 1 45 . ARG . 4269 1 46 . LYS . 4269 1 47 . GLY . 4269 1 48 . LEU . 4269 1 49 . ASP . 4269 1 50 . LEU . 4269 1 51 . LEU . 4269 1 52 . ARG . 4269 1 53 . MET . 4269 1 54 . LYS . 4269 1 55 . VAL . 4269 1 56 . GLU . 4269 1 57 . GLU . 4269 1 58 . GLY . 4269 1 59 . ASP . 4269 1 60 . VAL . 4269 1 61 . ILE . 4269 1 62 . LEU . 4269 1 63 . VAL . 4269 1 64 . LYS . 4269 1 65 . LYS . 4269 1 66 . LEU . 4269 1 67 . ASP . 4269 1 68 . ARG . 4269 1 69 . LEU . 4269 1 70 . GLY . 4269 1 71 . ARG . 4269 1 72 . ASP . 4269 1 73 . THR . 4269 1 74 . ALA . 4269 1 75 . ASP . 4269 1 76 . MET . 4269 1 77 . ILE . 4269 1 78 . GLN . 4269 1 79 . LEU . 4269 1 80 . ILE . 4269 1 81 . LYS . 4269 1 82 . GLU . 4269 1 83 . PHE . 4269 1 84 . ASP . 4269 1 85 . ALA . 4269 1 86 . GLN . 4269 1 87 . GLY . 4269 1 88 . VAL . 4269 1 89 . SER . 4269 1 90 . ILE . 4269 1 91 . ARG . 4269 1 92 . PHE . 4269 1 93 . ILE . 4269 1 94 . ASP . 4269 1 95 . ASP . 4269 1 96 . GLY . 4269 1 97 . ILE . 4269 1 98 . SER . 4269 1 99 . THR . 4269 1 100 . ASP . 4269 1 101 . GLY . 4269 1 102 . GLU . 4269 1 103 . MET . 4269 1 104 . GLY . 4269 1 105 . LYS . 4269 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 4269 1 . ARG 2 2 4269 1 . LEU 3 3 4269 1 . PHE 4 4 4269 1 . GLY 5 5 4269 1 . TYR 6 6 4269 1 . ALA 7 7 4269 1 . ARG 8 8 4269 1 . VAL 9 9 4269 1 . SER 10 10 4269 1 . THR 11 11 4269 1 . SER 12 12 4269 1 . GLN 13 13 4269 1 . GLN 14 14 4269 1 . SER 15 15 4269 1 . LEU 16 16 4269 1 . ASP 17 17 4269 1 . ILE 18 18 4269 1 . GLN 19 19 4269 1 . VAL 20 20 4269 1 . ARG 21 21 4269 1 . ALA 22 22 4269 1 . LEU 23 23 4269 1 . LYS 24 24 4269 1 . ASP 25 25 4269 1 . ALA 26 26 4269 1 . GLY 27 27 4269 1 . VAL 28 28 4269 1 . LYS 29 29 4269 1 . ALA 30 30 4269 1 . ASN 31 31 4269 1 . ARG 32 32 4269 1 . ILE 33 33 4269 1 . PHE 34 34 4269 1 . THR 35 35 4269 1 . ASP 36 36 4269 1 . LYS 37 37 4269 1 . ALA 38 38 4269 1 . SER 39 39 4269 1 . GLY 40 40 4269 1 . SER 41 41 4269 1 . SER 42 42 4269 1 . SER 43 43 4269 1 . ASP 44 44 4269 1 . ARG 45 45 4269 1 . LYS 46 46 4269 1 . GLY 47 47 4269 1 . LEU 48 48 4269 1 . ASP 49 49 4269 1 . LEU 50 50 4269 1 . LEU 51 51 4269 1 . ARG 52 52 4269 1 . MET 53 53 4269 1 . LYS 54 54 4269 1 . VAL 55 55 4269 1 . GLU 56 56 4269 1 . GLU 57 57 4269 1 . GLY 58 58 4269 1 . ASP 59 59 4269 1 . VAL 60 60 4269 1 . ILE 61 61 4269 1 . LEU 62 62 4269 1 . VAL 63 63 4269 1 . LYS 64 64 4269 1 . LYS 65 65 4269 1 . LEU 66 66 4269 1 . ASP 67 67 4269 1 . ARG 68 68 4269 1 . LEU 69 69 4269 1 . GLY 70 70 4269 1 . ARG 71 71 4269 1 . ASP 72 72 4269 1 . THR 73 73 4269 1 . ALA 74 74 4269 1 . ASP 75 75 4269 1 . MET 76 76 4269 1 . ILE 77 77 4269 1 . GLN 78 78 4269 1 . LEU 79 79 4269 1 . ILE 80 80 4269 1 . LYS 81 81 4269 1 . GLU 82 82 4269 1 . PHE 83 83 4269 1 . ASP 84 84 4269 1 . ALA 85 85 4269 1 . GLN 86 86 4269 1 . GLY 87 87 4269 1 . VAL 88 88 4269 1 . SER 89 89 4269 1 . ILE 90 90 4269 1 . ARG 91 91 4269 1 . PHE 92 92 4269 1 . ILE 93 93 4269 1 . ASP 94 94 4269 1 . ASP 95 95 4269 1 . GLY 96 96 4269 1 . ILE 97 97 4269 1 . SER 98 98 4269 1 . THR 99 99 4269 1 . ASP 100 100 4269 1 . GLY 101 101 4269 1 . GLU 102 102 4269 1 . MET 103 103 4269 1 . GLY 104 104 4269 1 . LYS 105 105 4269 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 4269 _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 $resolvase_catalytic_core . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4269 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 4269 _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 $resolvase_catalytic_core . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4269 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 resolvase [U-15N] . . 1 $resolvase_catalytic_core . . 2.0 . . mM . . . . 4269 1 2 D2O . . . . . . . 10 . . % . . . . 4269 1 3 H2O . . . . . . . 90 . . % . . . . 4269 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4269 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 resolvase '[U-13C; U-15N]' . . 1 $resolvase_catalytic_core . . 2.0 . . mM . . . . 4269 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4269 _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 6.5 0.1 n/a 4269 1 temperature 298 1 K 4269 1 'ionic strength' 1.0 0.02 n/a 4269 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4269 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 4269 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4269 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral visualization and resonance assignment' 4269 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4269 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4269 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian . . 500 . . . 4269 1 2 NMR_spectrometer_two Varian . . 600 . . . 4269 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4269 _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 . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 2 HNCOCA . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 3 HNCACB . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 4 CBCACONH . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 5 HNCO, . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 6 CCONH . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 7 HCCONH . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 9 1H-NOESY . . . . . . . . . . . . . . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4269 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO, _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4269 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 1H-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4269 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4269 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4269 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4269 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4269 1 . . 2 $sample_two . 4269 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 56.4 . . 1 . . . . . . . . 4269 1 2 . 1 1 1 1 MET HA H 1 4.13 . . 1 . . . . . . . . 4269 1 3 . 1 1 1 1 MET CB C 13 33.3 . . 1 . . . . . . . . 4269 1 4 . 1 1 1 1 MET HB2 H 1 2.30 . . 2 . . . . . . . . 4269 1 5 . 1 1 1 1 MET HB3 H 1 2.48 . . 2 . . . . . . . . 4269 1 6 . 1 1 1 1 MET CG C 13 31.5 . . 1 . . . . . . . . 4269 1 7 . 1 1 1 1 MET HG2 H 1 2.74 . . 2 . . . . . . . . 4269 1 8 . 1 1 1 1 MET HG3 H 1 2.91 . . 2 . . . . . . . . 4269 1 9 . 1 1 1 1 MET HE1 H 1 2.17 . . 1 . . . . . . . . 4269 1 10 . 1 1 1 1 MET HE2 H 1 2.17 . . 1 . . . . . . . . 4269 1 11 . 1 1 1 1 MET HE3 H 1 2.17 . . 1 . . . . . . . . 4269 1 12 . 1 1 2 2 ARG N N 15 126.1 . . 1 . . . . . . . . 4269 1 13 . 1 1 2 2 ARG H H 1 8.84 . . 1 . . . . . . . . 4269 1 14 . 1 1 2 2 ARG CA C 13 55.9 . . 1 . . . . . . . . 4269 1 15 . 1 1 2 2 ARG HA H 1 4.76 . . 1 . . . . . . . . 4269 1 16 . 1 1 2 2 ARG CB C 13 33.5 . . 1 . . . . . . . . 4269 1 17 . 1 1 2 2 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 4269 1 18 . 1 1 2 2 ARG HB3 H 1 1.99 . . 2 . . . . . . . . 4269 1 19 . 1 1 2 2 ARG CG C 13 25.6 . . 1 . . . . . . . . 4269 1 20 . 1 1 2 2 ARG HG2 H 1 1.46 . . 1 . . . . . . . . 4269 1 21 . 1 1 2 2 ARG HG3 H 1 1.46 . . 1 . . . . . . . . 4269 1 22 . 1 1 2 2 ARG CD C 13 41.9 . . 1 . . . . . . . . 4269 1 23 . 1 1 2 2 ARG HD2 H 1 2.83 . . 1 . . . . . . . . 4269 1 24 . 1 1 2 2 ARG HD3 H 1 2.83 . . 1 . . . . . . . . 4269 1 25 . 1 1 2 2 ARG C C 13 172.0 . . 1 . . . . . . . . 4269 1 26 . 1 1 3 3 LEU N N 15 122.0 . . 1 . . . . . . . . 4269 1 27 . 1 1 3 3 LEU H H 1 7.97 . . 1 . . . . . . . . 4269 1 28 . 1 1 3 3 LEU CA C 13 54.0 . . 1 . . . . . . . . 4269 1 29 . 1 1 3 3 LEU HA H 1 5.19 . . 1 . . . . . . . . 4269 1 30 . 1 1 3 3 LEU CB C 13 44.6 . . 1 . . . . . . . . 4269 1 31 . 1 1 3 3 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 4269 1 32 . 1 1 3 3 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 4269 1 33 . 1 1 3 3 LEU CG C 13 27.5 . . 1 . . . . . . . . 4269 1 34 . 1 1 3 3 LEU HG H 1 1.66 . . 1 . . . . . . . . 4269 1 35 . 1 1 3 3 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4269 1 36 . 1 1 3 3 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4269 1 37 . 1 1 3 3 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4269 1 38 . 1 1 3 3 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4269 1 39 . 1 1 3 3 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4269 1 40 . 1 1 3 3 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4269 1 41 . 1 1 3 3 LEU CD1 C 13 24.6 . . 1 . . . . . . . . 4269 1 42 . 1 1 3 3 LEU CD2 C 13 24.6 . . 1 . . . . . . . . 4269 1 43 . 1 1 3 3 LEU C C 13 173.9 . . 1 . . . . . . . . 4269 1 44 . 1 1 4 4 PHE N N 15 123.7 . . 1 . . . . . . . . 4269 1 45 . 1 1 4 4 PHE H H 1 9.48 . . 1 . . . . . . . . 4269 1 46 . 1 1 4 4 PHE CA C 13 56.8 . . 1 . . . . . . . . 4269 1 47 . 1 1 4 4 PHE HA H 1 5.14 . . 1 . . . . . . . . 4269 1 48 . 1 1 4 4 PHE CB C 13 44.4 . . 1 . . . . . . . . 4269 1 49 . 1 1 4 4 PHE HB2 H 1 2.92 . . 1 . . . . . . . . 4269 1 50 . 1 1 4 4 PHE HB3 H 1 3.30 . . 1 . . . . . . . . 4269 1 51 . 1 1 4 4 PHE HD1 H 1 7.51 . . 1 . . . . . . . . 4269 1 52 . 1 1 4 4 PHE HD2 H 1 7.51 . . 1 . . . . . . . . 4269 1 53 . 1 1 4 4 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 4269 1 54 . 1 1 4 4 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 4269 1 55 . 1 1 4 4 PHE C C 13 175.8 . . 1 . . . . . . . . 4269 1 56 . 1 1 5 5 GLY N N 15 106.6 . . 1 . . . . . . . . 4269 1 57 . 1 1 5 5 GLY H H 1 9.27 . . 1 . . . . . . . . 4269 1 58 . 1 1 5 5 GLY CA C 13 45.5 . . 1 . . . . . . . . 4269 1 59 . 1 1 5 5 GLY HA2 H 1 5.82 . . 2 . . . . . . . . 4269 1 60 . 1 1 5 5 GLY HA3 H 1 3.53 . . 2 . . . . . . . . 4269 1 61 . 1 1 5 5 GLY C C 13 174.9 . . 1 . . . . . . . . 4269 1 62 . 1 1 6 6 TYR N N 15 123.9 . . 1 . . . . . . . . 4269 1 63 . 1 1 6 6 TYR H H 1 8.64 . . 1 . . . . . . . . 4269 1 64 . 1 1 6 6 TYR CA C 13 55.9 . . 1 . . . . . . . . 4269 1 65 . 1 1 6 6 TYR HA H 1 5.99 . . 1 . . . . . . . . 4269 1 66 . 1 1 6 6 TYR CB C 13 42.1 . . 1 . . . . . . . . 4269 1 67 . 1 1 6 6 TYR HB2 H 1 2.61 . . 2 . . . . . . . . 4269 1 68 . 1 1 6 6 TYR HB3 H 1 2.77 . . 2 . . . . . . . . 4269 1 69 . 1 1 6 6 TYR HD1 H 1 6.90 . . 1 . . . . . . . . 4269 1 70 . 1 1 6 6 TYR HD2 H 1 6.90 . . 1 . . . . . . . . 4269 1 71 . 1 1 6 6 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 4269 1 72 . 1 1 6 6 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 4269 1 73 . 1 1 6 6 TYR C C 13 170.9 . . 1 . . . . . . . . 4269 1 74 . 1 1 7 7 ALA N N 15 128.6 . . 1 . . . . . . . . 4269 1 75 . 1 1 7 7 ALA H H 1 8.00 . . 1 . . . . . . . . 4269 1 76 . 1 1 7 7 ALA CA C 13 50.7 . . 1 . . . . . . . . 4269 1 77 . 1 1 7 7 ALA HA H 1 4.54 . . 1 . . . . . . . . 4269 1 78 . 1 1 7 7 ALA HB1 H 1 1.15 . . 1 . . . . . . . . 4269 1 79 . 1 1 7 7 ALA HB2 H 1 1.15 . . 1 . . . . . . . . 4269 1 80 . 1 1 7 7 ALA HB3 H 1 1.15 . . 1 . . . . . . . . 4269 1 81 . 1 1 7 7 ALA CB C 13 23.3 . . 1 . . . . . . . . 4269 1 82 . 1 1 7 7 ALA C C 13 173.0 . . 1 . . . . . . . . 4269 1 83 . 1 1 8 8 ARG N N 15 119.5 . . 1 . . . . . . . . 4269 1 84 . 1 1 8 8 ARG H H 1 7.98 . . 1 . . . . . . . . 4269 1 85 . 1 1 8 8 ARG CA C 13 54.5 . . 1 . . . . . . . . 4269 1 86 . 1 1 8 8 ARG HA H 1 5.28 . . 1 . . . . . . . . 4269 1 87 . 1 1 8 8 ARG CB C 13 33.3 . . 1 . . . . . . . . 4269 1 88 . 1 1 8 8 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4269 1 89 . 1 1 8 8 ARG HB3 H 1 1.83 . . 2 . . . . . . . . 4269 1 90 . 1 1 8 8 ARG CG C 13 27.3 . . 1 . . . . . . . . 4269 1 91 . 1 1 8 8 ARG HG2 H 1 1.60 . . 1 . . . . . . . . 4269 1 92 . 1 1 8 8 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 4269 1 93 . 1 1 8 8 ARG CD C 13 44.0 . . 1 . . . . . . . . 4269 1 94 . 1 1 8 8 ARG HD2 H 1 3.35 . . 1 . . . . . . . . 4269 1 95 . 1 1 8 8 ARG HD3 H 1 3.35 . . 1 . . . . . . . . 4269 1 96 . 1 1 8 8 ARG NE N 15 84.9 . . 1 . . . . . . . . 4269 1 97 . 1 1 8 8 ARG HE H 1 7.55 . . 1 . . . . . . . . 4269 1 98 . 1 1 8 8 ARG C C 13 179.3 . . 1 . . . . . . . . 4269 1 99 . 1 1 9 9 VAL N N 15 119.6 . . 1 . . . . . . . . 4269 1 100 . 1 1 9 9 VAL H H 1 8.48 . . 1 . . . . . . . . 4269 1 101 . 1 1 9 9 VAL CA C 13 60.9 . . 1 . . . . . . . . 4269 1 102 . 1 1 9 9 VAL HA H 1 4.62 . . 1 . . . . . . . . 4269 1 103 . 1 1 9 9 VAL CB C 13 34.7 . . 1 . . . . . . . . 4269 1 104 . 1 1 9 9 VAL HB H 1 2.37 . . 1 . . . . . . . . 4269 1 105 . 1 1 9 9 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 4269 1 106 . 1 1 9 9 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 4269 1 107 . 1 1 9 9 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 4269 1 108 . 1 1 9 9 VAL HG21 H 1 1.04 . . 2 . . . . . . . . 4269 1 109 . 1 1 9 9 VAL HG22 H 1 1.04 . . 2 . . . . . . . . 4269 1 110 . 1 1 9 9 VAL HG23 H 1 1.04 . . 2 . . . . . . . . 4269 1 111 . 1 1 9 9 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4269 1 112 . 1 1 9 9 VAL CG2 C 13 22.2 . . 1 . . . . . . . . 4269 1 113 . 1 1 9 9 VAL C C 13 175.9 . . 1 . . . . . . . . 4269 1 114 . 1 1 10 10 SER N N 15 118.4 . . 1 . . . . . . . . 4269 1 115 . 1 1 10 10 SER H H 1 8.82 . . 1 . . . . . . . . 4269 1 116 . 1 1 10 10 SER CA C 13 58.5 . . 1 . . . . . . . . 4269 1 117 . 1 1 10 10 SER HA H 1 4.86 . . 1 . . . . . . . . 4269 1 118 . 1 1 10 10 SER CB C 13 64.4 . . 1 . . . . . . . . 4269 1 119 . 1 1 10 10 SER HB2 H 1 4.06 . . 2 . . . . . . . . 4269 1 120 . 1 1 10 10 SER HB3 H 1 4.19 . . 2 . . . . . . . . 4269 1 121 . 1 1 10 10 SER C C 13 175.5 . . 1 . . . . . . . . 4269 1 122 . 1 1 11 11 THR N N 15 111.8 . . 1 . . . . . . . . 4269 1 123 . 1 1 11 11 THR H H 1 8.18 . . 1 . . . . . . . . 4269 1 124 . 1 1 11 11 THR CA C 13 62.1 . . 1 . . . . . . . . 4269 1 125 . 1 1 11 11 THR HA H 1 4.61 . . 1 . . . . . . . . 4269 1 126 . 1 1 11 11 THR CB C 13 70.3 . . 1 . . . . . . . . 4269 1 127 . 1 1 11 11 THR HB H 1 4.56 . . 1 . . . . . . . . 4269 1 128 . 1 1 11 11 THR HG21 H 1 1.39 . . 1 . . . . . . . . 4269 1 129 . 1 1 11 11 THR HG22 H 1 1.39 . . 1 . . . . . . . . 4269 1 130 . 1 1 11 11 THR HG23 H 1 1.39 . . 1 . . . . . . . . 4269 1 131 . 1 1 11 11 THR CG2 C 13 22.5 . . 1 . . . . . . . . 4269 1 132 . 1 1 11 11 THR C C 13 174.8 . . 1 . . . . . . . . 4269 1 133 . 1 1 12 12 SER N N 15 115.9 . . 1 . . . . . . . . 4269 1 134 . 1 1 12 12 SER H H 1 8.38 . . 1 . . . . . . . . 4269 1 135 . 1 1 12 12 SER CA C 13 58.6 . . 1 . . . . . . . . 4269 1 136 . 1 1 12 12 SER HA H 1 4.65 . . 1 . . . . . . . . 4269 1 137 . 1 1 12 12 SER CB C 13 64.1 . . 1 . . . . . . . . 4269 1 138 . 1 1 12 12 SER HB2 H 1 4.05 . . 2 . . . . . . . . 4269 1 139 . 1 1 12 12 SER HB3 H 1 4.20 . . 2 . . . . . . . . 4269 1 140 . 1 1 12 12 SER C C 13 174.8 . . 1 . . . . . . . . 4269 1 141 . 1 1 13 13 GLN N N 15 123.7 . . 1 . . . . . . . . 4269 1 142 . 1 1 13 13 GLN H H 1 8.58 . . 1 . . . . . . . . 4269 1 143 . 1 1 13 13 GLN CA C 13 57.6 . . 1 . . . . . . . . 4269 1 144 . 1 1 13 13 GLN HA H 1 4.29 . . 1 . . . . . . . . 4269 1 145 . 1 1 13 13 GLN CB C 13 29.1 . . 1 . . . . . . . . 4269 1 146 . 1 1 13 13 GLN HB2 H 1 2.22 . . 1 . . . . . . . . 4269 1 147 . 1 1 13 13 GLN HB3 H 1 2.22 . . 1 . . . . . . . . 4269 1 148 . 1 1 13 13 GLN CG C 13 34.2 . . 1 . . . . . . . . 4269 1 149 . 1 1 13 13 GLN HG2 H 1 2.58 . . 1 . . . . . . . . 4269 1 150 . 1 1 13 13 GLN HG3 H 1 2.58 . . 1 . . . . . . . . 4269 1 151 . 1 1 13 13 GLN NE2 N 15 113.4 . . 1 . . . . . . . . 4269 1 152 . 1 1 13 13 GLN HE21 H 1 7.49 . . 2 . . . . . . . . 4269 1 153 . 1 1 13 13 GLN HE22 H 1 7.29 . . 2 . . . . . . . . 4269 1 154 . 1 1 13 13 GLN C C 13 175.2 . . 1 . . . . . . . . 4269 1 155 . 1 1 14 14 GLN N N 15 119.0 . . 1 . . . . . . . . 4269 1 156 . 1 1 14 14 GLN H H 1 8.17 . . 1 . . . . . . . . 4269 1 157 . 1 1 14 14 GLN CA C 13 57.3 . . 1 . . . . . . . . 4269 1 158 . 1 1 14 14 GLN HA H 1 4.46 . . 1 . . . . . . . . 4269 1 159 . 1 1 14 14 GLN CB C 13 29.6 . . 1 . . . . . . . . 4269 1 160 . 1 1 14 14 GLN HB2 H 1 2.21 . . 1 . . . . . . . . 4269 1 161 . 1 1 14 14 GLN HB3 H 1 2.21 . . 1 . . . . . . . . 4269 1 162 . 1 1 14 14 GLN CG C 13 34.7 . . 1 . . . . . . . . 4269 1 163 . 1 1 14 14 GLN HG2 H 1 2.57 . . 1 . . . . . . . . 4269 1 164 . 1 1 14 14 GLN HG3 H 1 2.57 . . 1 . . . . . . . . 4269 1 165 . 1 1 14 14 GLN NE2 N 15 113.8 . . 1 . . . . . . . . 4269 1 166 . 1 1 14 14 GLN HE21 H 1 7.80 . . 2 . . . . . . . . 4269 1 167 . 1 1 14 14 GLN HE22 H 1 6.91 . . 2 . . . . . . . . 4269 1 168 . 1 1 14 14 GLN C C 13 176.9 . . 1 . . . . . . . . 4269 1 169 . 1 1 15 15 SER N N 15 114.6 . . 1 . . . . . . . . 4269 1 170 . 1 1 15 15 SER H H 1 8.13 . . 1 . . . . . . . . 4269 1 171 . 1 1 15 15 SER CA C 13 59.2 . . 1 . . . . . . . . 4269 1 172 . 1 1 15 15 SER HA H 1 4.55 . . 1 . . . . . . . . 4269 1 173 . 1 1 15 15 SER CB C 13 64.1 . . 1 . . . . . . . . 4269 1 174 . 1 1 15 15 SER HB2 H 1 4.18 . . 2 . . . . . . . . 4269 1 175 . 1 1 15 15 SER HB3 H 1 4.05 . . 2 . . . . . . . . 4269 1 176 . 1 1 15 15 SER C C 13 176.6 . . 1 . . . . . . . . 4269 1 177 . 1 1 16 16 LEU N N 15 125.6 . . 1 . . . . . . . . 4269 1 178 . 1 1 16 16 LEU H H 1 8.38 . . 1 . . . . . . . . 4269 1 179 . 1 1 16 16 LEU CA C 13 58.2 . . 1 . . . . . . . . 4269 1 180 . 1 1 16 16 LEU HA H 1 4.12 . . 1 . . . . . . . . 4269 1 181 . 1 1 16 16 LEU CB C 13 42.2 . . 1 . . . . . . . . 4269 1 182 . 1 1 16 16 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 4269 1 183 . 1 1 16 16 LEU HB3 H 1 1.90 . . 2 . . . . . . . . 4269 1 184 . 1 1 16 16 LEU CG C 13 27.0 . . 1 . . . . . . . . 4269 1 185 . 1 1 16 16 LEU HG H 1 1.74 . . 1 . . . . . . . . 4269 1 186 . 1 1 16 16 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4269 1 187 . 1 1 16 16 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4269 1 188 . 1 1 16 16 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4269 1 189 . 1 1 16 16 LEU HD21 H 1 0.96 . . 2 . . . . . . . . 4269 1 190 . 1 1 16 16 LEU HD22 H 1 0.96 . . 2 . . . . . . . . 4269 1 191 . 1 1 16 16 LEU HD23 H 1 0.96 . . 2 . . . . . . . . 4269 1 192 . 1 1 16 16 LEU CD1 C 13 24.9 . . 1 . . . . . . . . 4269 1 193 . 1 1 16 16 LEU CD2 C 13 26.2 . . 1 . . . . . . . . 4269 1 194 . 1 1 16 16 LEU C C 13 176.5 . . 1 . . . . . . . . 4269 1 195 . 1 1 17 17 ASP N N 15 118.6 . . 1 . . . . . . . . 4269 1 196 . 1 1 17 17 ASP H H 1 8.38 . . 1 . . . . . . . . 4269 1 197 . 1 1 17 17 ASP CA C 13 57.4 . . 1 . . . . . . . . 4269 1 198 . 1 1 17 17 ASP HA H 1 4.38 . . 1 . . . . . . . . 4269 1 199 . 1 1 17 17 ASP CB C 13 40.9 . . 1 . . . . . . . . 4269 1 200 . 1 1 17 17 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 4269 1 201 . 1 1 17 17 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 4269 1 202 . 1 1 17 17 ASP C C 13 178.0 . . 1 . . . . . . . . 4269 1 203 . 1 1 18 18 ILE N N 15 119.3 . . 1 . . . . . . . . 4269 1 204 . 1 1 18 18 ILE H H 1 7.96 . . 1 . . . . . . . . 4269 1 205 . 1 1 18 18 ILE CA C 13 64.8 . . 1 . . . . . . . . 4269 1 206 . 1 1 18 18 ILE HA H 1 3.88 . . 1 . . . . . . . . 4269 1 207 . 1 1 18 18 ILE CB C 13 38.3 . . 1 . . . . . . . . 4269 1 208 . 1 1 18 18 ILE HB H 1 2.12 . . 1 . . . . . . . . 4269 1 209 . 1 1 18 18 ILE HG21 H 1 1.10 . . 1 . . . . . . . . 4269 1 210 . 1 1 18 18 ILE HG22 H 1 1.10 . . 1 . . . . . . . . 4269 1 211 . 1 1 18 18 ILE HG23 H 1 1.10 . . 1 . . . . . . . . 4269 1 212 . 1 1 18 18 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4269 1 213 . 1 1 18 18 ILE CG1 C 13 29.4 . . 1 . . . . . . . . 4269 1 214 . 1 1 18 18 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 4269 1 215 . 1 1 18 18 ILE HG13 H 1 1.83 . . 2 . . . . . . . . 4269 1 216 . 1 1 18 18 ILE HD11 H 1 1.04 . . 1 . . . . . . . . 4269 1 217 . 1 1 18 18 ILE HD12 H 1 1.04 . . 1 . . . . . . . . 4269 1 218 . 1 1 18 18 ILE HD13 H 1 1.04 . . 1 . . . . . . . . 4269 1 219 . 1 1 18 18 ILE CD1 C 13 13.6 . . 1 . . . . . . . . 4269 1 220 . 1 1 18 18 ILE C C 13 178.9 . . 1 . . . . . . . . 4269 1 221 . 1 1 19 19 GLN N N 15 119.6 . . 1 . . . . . . . . 4269 1 222 . 1 1 19 19 GLN H H 1 7.79 . . 1 . . . . . . . . 4269 1 223 . 1 1 19 19 GLN CA C 13 59.9 . . 1 . . . . . . . . 4269 1 224 . 1 1 19 19 GLN HA H 1 4.06 . . 1 . . . . . . . . 4269 1 225 . 1 1 19 19 GLN CB C 13 30.9 . . 1 . . . . . . . . 4269 1 226 . 1 1 19 19 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 4269 1 227 . 1 1 19 19 GLN HB3 H 1 2.39 . . 2 . . . . . . . . 4269 1 228 . 1 1 19 19 GLN CG C 13 35.9 . . 1 . . . . . . . . 4269 1 229 . 1 1 19 19 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 4269 1 230 . 1 1 19 19 GLN HG3 H 1 2.78 . . 2 . . . . . . . . 4269 1 231 . 1 1 19 19 GLN NE2 N 15 112.8 . . 1 . . . . . . . . 4269 1 232 . 1 1 19 19 GLN HE21 H 1 7.77 . . 2 . . . . . . . . 4269 1 233 . 1 1 19 19 GLN HE22 H 1 6.94 . . 2 . . . . . . . . 4269 1 234 . 1 1 19 19 GLN C C 13 179.1 . . 1 . . . . . . . . 4269 1 235 . 1 1 20 20 VAL N N 15 118.5 . . 1 . . . . . . . . 4269 1 236 . 1 1 20 20 VAL H H 1 8.52 . . 1 . . . . . . . . 4269 1 237 . 1 1 20 20 VAL CA C 13 67.6 . . 1 . . . . . . . . 4269 1 238 . 1 1 20 20 VAL HA H 1 3.55 . . 1 . . . . . . . . 4269 1 239 . 1 1 20 20 VAL CB C 13 31.9 . . 1 . . . . . . . . 4269 1 240 . 1 1 20 20 VAL HB H 1 2.22 . . 1 . . . . . . . . 4269 1 241 . 1 1 20 20 VAL HG11 H 1 1.00 . . 1 . . . . . . . . 4269 1 242 . 1 1 20 20 VAL HG12 H 1 1.00 . . 1 . . . . . . . . 4269 1 243 . 1 1 20 20 VAL HG13 H 1 1.00 . . 1 . . . . . . . . 4269 1 244 . 1 1 20 20 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4269 1 245 . 1 1 20 20 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4269 1 246 . 1 1 20 20 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4269 1 247 . 1 1 20 20 VAL CG1 C 13 21.3 . . 1 . . . . . . . . 4269 1 248 . 1 1 20 20 VAL CG2 C 13 23.1 . . 1 . . . . . . . . 4269 1 249 . 1 1 20 20 VAL C C 13 177.6 . . 1 . . . . . . . . 4269 1 250 . 1 1 21 21 ARG N N 15 119.3 . . 1 . . . . . . . . 4269 1 251 . 1 1 21 21 ARG H H 1 8.19 . . 1 . . . . . . . . 4269 1 252 . 1 1 21 21 ARG CA C 13 60.0 . . 1 . . . . . . . . 4269 1 253 . 1 1 21 21 ARG HA H 1 4.02 . . 1 . . . . . . . . 4269 1 254 . 1 1 21 21 ARG CB C 13 30.6 . . 1 . . . . . . . . 4269 1 255 . 1 1 21 21 ARG HB2 H 1 2.05 . . 1 . . . . . . . . 4269 1 256 . 1 1 21 21 ARG HB3 H 1 2.05 . . 1 . . . . . . . . 4269 1 257 . 1 1 21 21 ARG CG C 13 27.6 . . 1 . . . . . . . . 4269 1 258 . 1 1 21 21 ARG HG2 H 1 1.83 . . 1 . . . . . . . . 4269 1 259 . 1 1 21 21 ARG HG3 H 1 1.83 . . 1 . . . . . . . . 4269 1 260 . 1 1 21 21 ARG CD C 13 44.0 . . 1 . . . . . . . . 4269 1 261 . 1 1 21 21 ARG HD2 H 1 3.37 . . 2 . . . . . . . . 4269 1 262 . 1 1 21 21 ARG HD3 H 1 3.30 . . 2 . . . . . . . . 4269 1 263 . 1 1 21 21 ARG NE N 15 86.2 . . 1 . . . . . . . . 4269 1 264 . 1 1 21 21 ARG HE H 1 7.47 . . 1 . . . . . . . . 4269 1 265 . 1 1 21 21 ARG C C 13 177.8 . . 1 . . . . . . . . 4269 1 266 . 1 1 22 22 ALA N N 15 120.4 . . 1 . . . . . . . . 4269 1 267 . 1 1 22 22 ALA H H 1 7.71 . . 1 . . . . . . . . 4269 1 268 . 1 1 22 22 ALA CA C 13 55.1 . . 1 . . . . . . . . 4269 1 269 . 1 1 22 22 ALA HA H 1 4.31 . . 1 . . . . . . . . 4269 1 270 . 1 1 22 22 ALA HB1 H 1 1.64 . . 1 . . . . . . . . 4269 1 271 . 1 1 22 22 ALA HB2 H 1 1.64 . . 1 . . . . . . . . 4269 1 272 . 1 1 22 22 ALA HB3 H 1 1.64 . . 1 . . . . . . . . 4269 1 273 . 1 1 22 22 ALA CB C 13 18.5 . . 1 . . . . . . . . 4269 1 274 . 1 1 22 22 ALA C C 13 178.2 . . 1 . . . . . . . . 4269 1 275 . 1 1 23 23 LEU N N 15 119.5 . . 1 . . . . . . . . 4269 1 276 . 1 1 23 23 LEU H H 1 8.09 . . 1 . . . . . . . . 4269 1 277 . 1 1 23 23 LEU CA C 13 58.0 . . 1 . . . . . . . . 4269 1 278 . 1 1 23 23 LEU HA H 1 4.03 . . 1 . . . . . . . . 4269 1 279 . 1 1 23 23 LEU CB C 13 42.0 . . 1 . . . . . . . . 4269 1 280 . 1 1 23 23 LEU HB2 H 1 1.11 . . 1 . . . . . . . . 4269 1 281 . 1 1 23 23 LEU HB3 H 1 2.22 . . 1 . . . . . . . . 4269 1 282 . 1 1 23 23 LEU CG C 13 26.7 . . 1 . . . . . . . . 4269 1 283 . 1 1 23 23 LEU HG H 1 2.05 . . 1 . . . . . . . . 4269 1 284 . 1 1 23 23 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4269 1 285 . 1 1 23 23 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4269 1 286 . 1 1 23 23 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4269 1 287 . 1 1 23 23 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4269 1 288 . 1 1 23 23 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4269 1 289 . 1 1 23 23 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4269 1 290 . 1 1 23 23 LEU CD1 C 13 26.7 . . 1 . . . . . . . . 4269 1 291 . 1 1 23 23 LEU CD2 C 13 24.0 . . 1 . . . . . . . . 4269 1 292 . 1 1 23 23 LEU C C 13 180.7 . . 1 . . . . . . . . 4269 1 293 . 1 1 24 24 LYS N N 15 121.0 . . 1 . . . . . . . . 4269 1 294 . 1 1 24 24 LYS H H 1 8.42 . . 1 . . . . . . . . 4269 1 295 . 1 1 24 24 LYS CA C 13 59.8 . . 1 . . . . . . . . 4269 1 296 . 1 1 24 24 LYS HA H 1 4.55 . . 1 . . . . . . . . 4269 1 297 . 1 1 24 24 LYS CB C 13 32.7 . . 1 . . . . . . . . 4269 1 298 . 1 1 24 24 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 4269 1 299 . 1 1 24 24 LYS HB3 H 1 2.00 . . 2 . . . . . . . . 4269 1 300 . 1 1 24 24 LYS CG C 13 30.0 . . 1 . . . . . . . . 4269 1 301 . 1 1 24 24 LYS HG2 H 1 1.75 . . 1 . . . . . . . . 4269 1 302 . 1 1 24 24 LYS HG3 H 1 1.75 . . 1 . . . . . . . . 4269 1 303 . 1 1 24 24 LYS CD C 13 26.4 . . 1 . . . . . . . . 4269 1 304 . 1 1 24 24 LYS HD2 H 1 1.40 . . 2 . . . . . . . . 4269 1 305 . 1 1 24 24 LYS HD3 H 1 1.74 . . 2 . . . . . . . . 4269 1 306 . 1 1 24 24 LYS CE C 13 42.2 . . 1 . . . . . . . . 4269 1 307 . 1 1 24 24 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 4269 1 308 . 1 1 24 24 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4269 1 309 . 1 1 24 24 LYS C C 13 178.8 . . 1 . . . . . . . . 4269 1 310 . 1 1 25 25 ASP N N 15 122.2 . . 1 . . . . . . . . 4269 1 311 . 1 1 25 25 ASP H H 1 8.75 . . 1 . . . . . . . . 4269 1 312 . 1 1 25 25 ASP CA C 13 57.1 . . 1 . . . . . . . . 4269 1 313 . 1 1 25 25 ASP HA H 1 4.50 . . 1 . . . . . . . . 4269 1 314 . 1 1 25 25 ASP CB C 13 40.3 . . 1 . . . . . . . . 4269 1 315 . 1 1 25 25 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 4269 1 316 . 1 1 25 25 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 4269 1 317 . 1 1 25 25 ASP C C 13 169.5 . . 1 . . . . . . . . 4269 1 318 . 1 1 26 26 ALA N N 15 121.0 . . 1 . . . . . . . . 4269 1 319 . 1 1 26 26 ALA H H 1 7.58 . . 1 . . . . . . . . 4269 1 320 . 1 1 26 26 ALA CA C 13 52.5 . . 1 . . . . . . . . 4269 1 321 . 1 1 26 26 ALA HA H 1 4.45 . . 1 . . . . . . . . 4269 1 322 . 1 1 26 26 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4269 1 323 . 1 1 26 26 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4269 1 324 . 1 1 26 26 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4269 1 325 . 1 1 26 26 ALA CB C 13 19.5 . . 1 . . . . . . . . 4269 1 326 . 1 1 26 26 ALA C C 13 177.6 . . 1 . . . . . . . . 4269 1 327 . 1 1 27 27 GLY N N 15 104.0 . . 1 . . . . . . . . 4269 1 328 . 1 1 27 27 GLY H H 1 7.73 . . 1 . . . . . . . . 4269 1 329 . 1 1 27 27 GLY CA C 13 44.9 . . 1 . . . . . . . . 4269 1 330 . 1 1 27 27 GLY HA2 H 1 4.40 . . 2 . . . . . . . . 4269 1 331 . 1 1 27 27 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 4269 1 332 . 1 1 27 27 GLY C C 13 176.8 . . 1 . . . . . . . . 4269 1 333 . 1 1 28 28 VAL N N 15 122.5 . . 1 . . . . . . . . 4269 1 334 . 1 1 28 28 VAL H H 1 7.93 . . 1 . . . . . . . . 4269 1 335 . 1 1 28 28 VAL CA C 13 63.3 . . 1 . . . . . . . . 4269 1 336 . 1 1 28 28 VAL HA H 1 3.75 . . 1 . . . . . . . . 4269 1 337 . 1 1 28 28 VAL CB C 13 31.4 . . 1 . . . . . . . . 4269 1 338 . 1 1 28 28 VAL HB H 1 1.55 . . 1 . . . . . . . . 4269 1 339 . 1 1 28 28 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4269 1 340 . 1 1 28 28 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4269 1 341 . 1 1 28 28 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4269 1 342 . 1 1 28 28 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4269 1 343 . 1 1 28 28 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4269 1 344 . 1 1 28 28 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4269 1 345 . 1 1 28 28 VAL CG1 C 13 23.4 . . 1 . . . . . . . . 4269 1 346 . 1 1 28 28 VAL CG2 C 13 23.4 . . 1 . . . . . . . . 4269 1 347 . 1 1 28 28 VAL C C 13 174.5 . . 1 . . . . . . . . 4269 1 348 . 1 1 29 29 LYS N N 15 128.6 . . 1 . . . . . . . . 4269 1 349 . 1 1 29 29 LYS H H 1 8.71 . . 1 . . . . . . . . 4269 1 350 . 1 1 29 29 LYS CA C 13 56.6 . . 1 . . . . . . . . 4269 1 351 . 1 1 29 29 LYS HA H 1 4.26 . . 1 . . . . . . . . 4269 1 352 . 1 1 29 29 LYS CB C 13 33.3 . . 1 . . . . . . . . 4269 1 353 . 1 1 29 29 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 4269 1 354 . 1 1 29 29 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 4269 1 355 . 1 1 29 29 LYS CG C 13 29.1 . . 1 . . . . . . . . 4269 1 356 . 1 1 29 29 LYS HG2 H 1 1.81 . . 1 . . . . . . . . 4269 1 357 . 1 1 29 29 LYS HG3 H 1 1.81 . . 1 . . . . . . . . 4269 1 358 . 1 1 29 29 LYS CD C 13 25.5 . . 1 . . . . . . . . 4269 1 359 . 1 1 29 29 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4269 1 360 . 1 1 29 29 LYS HD3 H 1 1.79 . . 2 . . . . . . . . 4269 1 361 . 1 1 29 29 LYS CE C 13 42.5 . . 1 . . . . . . . . 4269 1 362 . 1 1 29 29 LYS HE2 H 1 3.19 . . 1 . . . . . . . . 4269 1 363 . 1 1 29 29 LYS HE3 H 1 3.19 . . 1 . . . . . . . . 4269 1 364 . 1 1 29 29 LYS C C 13 176.3 . . 1 . . . . . . . . 4269 1 365 . 1 1 30 30 ALA N N 15 123.7 . . 1 . . . . . . . . 4269 1 366 . 1 1 30 30 ALA H H 1 8.70 . . 1 . . . . . . . . 4269 1 367 . 1 1 30 30 ALA CA C 13 56.1 . . 1 . . . . . . . . 4269 1 368 . 1 1 30 30 ALA HA H 1 3.87 . . 1 . . . . . . . . 4269 1 369 . 1 1 30 30 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4269 1 370 . 1 1 30 30 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4269 1 371 . 1 1 30 30 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4269 1 372 . 1 1 30 30 ALA CB C 13 18.9 . . 1 . . . . . . . . 4269 1 373 . 1 1 30 30 ALA C C 13 178.7 . . 1 . . . . . . . . 4269 1 374 . 1 1 31 31 ASN N N 15 111.3 . . 1 . . . . . . . . 4269 1 375 . 1 1 31 31 ASN H H 1 8.27 . . 1 . . . . . . . . 4269 1 376 . 1 1 31 31 ASN CA C 13 53.9 . . 1 . . . . . . . . 4269 1 377 . 1 1 31 31 ASN HA H 1 4.66 . . 1 . . . . . . . . 4269 1 378 . 1 1 31 31 ASN CB C 13 37.0 . . 1 . . . . . . . . 4269 1 379 . 1 1 31 31 ASN HB2 H 1 2.90 . . 1 . . . . . . . . 4269 1 380 . 1 1 31 31 ASN HB3 H 1 3.18 . . 1 . . . . . . . . 4269 1 381 . 1 1 31 31 ASN ND2 N 15 111.7 . . 1 . . . . . . . . 4269 1 382 . 1 1 31 31 ASN HD21 H 1 7.62 . . 2 . . . . . . . . 4269 1 383 . 1 1 31 31 ASN HD22 H 1 6.73 . . 2 . . . . . . . . 4269 1 384 . 1 1 31 31 ASN C C 13 179.1 . . 1 . . . . . . . . 4269 1 385 . 1 1 32 32 ARG N N 15 119.5 . . 1 . . . . . . . . 4269 1 386 . 1 1 32 32 ARG H H 1 8.17 . . 1 . . . . . . . . 4269 1 387 . 1 1 32 32 ARG CA C 13 55.9 . . 1 . . . . . . . . 4269 1 388 . 1 1 32 32 ARG HA H 1 4.67 . . 1 . . . . . . . . 4269 1 389 . 1 1 32 32 ARG CB C 13 30.9 . . 1 . . . . . . . . 4269 1 390 . 1 1 32 32 ARG HB2 H 1 1.69 . . 2 . . . . . . . . 4269 1 391 . 1 1 32 32 ARG HB3 H 1 2.25 . . 2 . . . . . . . . 4269 1 392 . 1 1 32 32 ARG CG C 13 28.5 . . 1 . . . . . . . . 4269 1 393 . 1 1 32 32 ARG HG2 H 1 1.33 . . 2 . . . . . . . . 4269 1 394 . 1 1 32 32 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 4269 1 395 . 1 1 32 32 ARG CD C 13 43.7 . . 1 . . . . . . . . 4269 1 396 . 1 1 32 32 ARG HD2 H 1 2.10 . . 2 . . . . . . . . 4269 1 397 . 1 1 32 32 ARG HD3 H 1 2.77 . . 2 . . . . . . . . 4269 1 398 . 1 1 32 32 ARG C C 13 175.7 . . 1 . . . . . . . . 4269 1 399 . 1 1 33 33 ILE N N 15 118.9 . . 1 . . . . . . . . 4269 1 400 . 1 1 33 33 ILE H H 1 6.81 . . 1 . . . . . . . . 4269 1 401 . 1 1 33 33 ILE CA C 13 61.4 . . 1 . . . . . . . . 4269 1 402 . 1 1 33 33 ILE HA H 1 4.60 . . 1 . . . . . . . . 4269 1 403 . 1 1 33 33 ILE CB C 13 39.3 . . 1 . . . . . . . . 4269 1 404 . 1 1 33 33 ILE HB H 1 1.74 . . 1 . . . . . . . . 4269 1 405 . 1 1 33 33 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4269 1 406 . 1 1 33 33 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4269 1 407 . 1 1 33 33 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4269 1 408 . 1 1 33 33 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4269 1 409 . 1 1 33 33 ILE CG1 C 13 29.1 . . 1 . . . . . . . . 4269 1 410 . 1 1 33 33 ILE HG12 H 1 0.56 . . 2 . . . . . . . . 4269 1 411 . 1 1 33 33 ILE HG13 H 1 1.96 . . 2 . . . . . . . . 4269 1 412 . 1 1 33 33 ILE HD11 H 1 0.84 . . 1 . . . . . . . . 4269 1 413 . 1 1 33 33 ILE HD12 H 1 0.84 . . 1 . . . . . . . . 4269 1 414 . 1 1 33 33 ILE HD13 H 1 0.84 . . 1 . . . . . . . . 4269 1 415 . 1 1 33 33 ILE CD1 C 13 15.8 . . 1 . . . . . . . . 4269 1 416 . 1 1 33 33 ILE C C 13 173.4 . . 1 . . . . . . . . 4269 1 417 . 1 1 34 34 PHE N N 15 129.1 . . 1 . . . . . . . . 4269 1 418 . 1 1 34 34 PHE H H 1 8.91 . . 1 . . . . . . . . 4269 1 419 . 1 1 34 34 PHE CA C 13 57.1 . . 1 . . . . . . . . 4269 1 420 . 1 1 34 34 PHE HA H 1 4.95 . . 1 . . . . . . . . 4269 1 421 . 1 1 34 34 PHE CB C 13 42.4 . . 1 . . . . . . . . 4269 1 422 . 1 1 34 34 PHE HB2 H 1 3.25 . . 1 . . . . . . . . 4269 1 423 . 1 1 34 34 PHE HB3 H 1 3.04 . . 1 . . . . . . . . 4269 1 424 . 1 1 34 34 PHE HD1 H 1 7.65 . . 1 . . . . . . . . 4269 1 425 . 1 1 34 34 PHE HD2 H 1 7.65 . . 1 . . . . . . . . 4269 1 426 . 1 1 34 34 PHE HE1 H 1 7.52 . . 1 . . . . . . . . 4269 1 427 . 1 1 34 34 PHE HE2 H 1 7.52 . . 1 . . . . . . . . 4269 1 428 . 1 1 34 34 PHE C C 13 174.8 . . 1 . . . . . . . . 4269 1 429 . 1 1 35 35 THR N N 15 110.3 . . 1 . . . . . . . . 4269 1 430 . 1 1 35 35 THR H H 1 8.65 . . 1 . . . . . . . . 4269 1 431 . 1 1 35 35 THR CA C 13 59.3 . . 1 . . . . . . . . 4269 1 432 . 1 1 35 35 THR HA H 1 5.77 . . 1 . . . . . . . . 4269 1 433 . 1 1 35 35 THR CB C 13 72.7 . . 1 . . . . . . . . 4269 1 434 . 1 1 35 35 THR HB H 1 4.17 . . 1 . . . . . . . . 4269 1 435 . 1 1 35 35 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4269 1 436 . 1 1 35 35 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4269 1 437 . 1 1 35 35 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4269 1 438 . 1 1 35 35 THR CG2 C 13 21.9 . . 1 . . . . . . . . 4269 1 439 . 1 1 35 35 THR C C 13 174.3 . . 1 . . . . . . . . 4269 1 440 . 1 1 36 36 ASP N N 15 118.4 . . 1 . . . . . . . . 4269 1 441 . 1 1 36 36 ASP H H 1 8.13 . . 1 . . . . . . . . 4269 1 442 . 1 1 36 36 ASP CA C 13 54.7 . . 1 . . . . . . . . 4269 1 443 . 1 1 36 36 ASP HA H 1 5.28 . . 1 . . . . . . . . 4269 1 444 . 1 1 36 36 ASP CB C 13 45.6 . . 1 . . . . . . . . 4269 1 445 . 1 1 36 36 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 4269 1 446 . 1 1 36 36 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 4269 1 447 . 1 1 36 36 ASP C C 13 173.8 . . 1 . . . . . . . . 4269 1 448 . 1 1 37 37 LYS N N 15 120.0 . . 1 . . . . . . . . 4269 1 449 . 1 1 37 37 LYS H H 1 8.53 . . 1 . . . . . . . . 4269 1 450 . 1 1 37 37 LYS CA C 13 55.6 . . 1 . . . . . . . . 4269 1 451 . 1 1 37 37 LYS HA H 1 4.77 . . 1 . . . . . . . . 4269 1 452 . 1 1 37 37 LYS CB C 13 34.1 . . 1 . . . . . . . . 4269 1 453 . 1 1 37 37 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4269 1 454 . 1 1 37 37 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4269 1 455 . 1 1 37 37 LYS CG C 13 30.6 . . 1 . . . . . . . . 4269 1 456 . 1 1 37 37 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 4269 1 457 . 1 1 37 37 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 4269 1 458 . 1 1 37 37 LYS CD C 13 25.2 . . 1 . . . . . . . . 4269 1 459 . 1 1 37 37 LYS HD2 H 1 1.57 . . 2 . . . . . . . . 4269 1 460 . 1 1 37 37 LYS HD3 H 1 1.47 . . 2 . . . . . . . . 4269 1 461 . 1 1 37 37 LYS CE C 13 42.2 . . 1 . . . . . . . . 4269 1 462 . 1 1 37 37 LYS HE2 H 1 3.09 . . 1 . . . . . . . . 4269 1 463 . 1 1 37 37 LYS HE3 H 1 3.09 . . 1 . . . . . . . . 4269 1 464 . 1 1 37 37 LYS C C 13 175.3 . . 1 . . . . . . . . 4269 1 465 . 1 1 38 38 ALA N N 15 126.2 . . 1 . . . . . . . . 4269 1 466 . 1 1 38 38 ALA H H 1 8.57 . . 1 . . . . . . . . 4269 1 467 . 1 1 38 38 ALA CA C 13 52.9 . . 1 . . . . . . . . 4269 1 468 . 1 1 38 38 ALA HA H 1 4.57 . . 1 . . . . . . . . 4269 1 469 . 1 1 38 38 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4269 1 470 . 1 1 38 38 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4269 1 471 . 1 1 38 38 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4269 1 472 . 1 1 38 38 ALA CB C 13 19.8 . . 1 . . . . . . . . 4269 1 473 . 1 1 38 38 ALA C C 13 176.1 . . 1 . . . . . . . . 4269 1 474 . 1 1 39 39 SER N N 15 114.8 . . 1 . . . . . . . . 4269 1 475 . 1 1 39 39 SER H H 1 8.41 . . 1 . . . . . . . . 4269 1 476 . 1 1 39 39 SER CA C 13 58.0 . . 1 . . . . . . . . 4269 1 477 . 1 1 39 39 SER HA H 1 4.71 . . 1 . . . . . . . . 4269 1 478 . 1 1 39 39 SER CB C 13 64.4 . . 1 . . . . . . . . 4269 1 479 . 1 1 39 39 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4269 1 480 . 1 1 39 39 SER HB3 H 1 4.11 . . 2 . . . . . . . . 4269 1 481 . 1 1 39 39 SER C C 13 177.4 . . 1 . . . . . . . . 4269 1 482 . 1 1 40 40 GLY N N 15 111.8 . . 1 . . . . . . . . 4269 1 483 . 1 1 40 40 GLY H H 1 8.71 . . 1 . . . . . . . . 4269 1 484 . 1 1 40 40 GLY CA C 13 45.9 . . 1 . . . . . . . . 4269 1 485 . 1 1 40 40 GLY HA2 H 1 4.27 . . 2 . . . . . . . . 4269 1 486 . 1 1 40 40 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 4269 1 487 . 1 1 40 40 GLY C C 13 175.1 . . 1 . . . . . . . . 4269 1 488 . 1 1 41 41 SER N N 15 116.3 . . 1 . . . . . . . . 4269 1 489 . 1 1 41 41 SER H H 1 8.49 . . 1 . . . . . . . . 4269 1 490 . 1 1 41 41 SER CA C 13 58.6 . . 1 . . . . . . . . 4269 1 491 . 1 1 41 41 SER HA H 1 4.73 . . 1 . . . . . . . . 4269 1 492 . 1 1 41 41 SER CB C 13 64.3 . . 1 . . . . . . . . 4269 1 493 . 1 1 41 41 SER HB2 H 1 4.00 . . 2 . . . . . . . . 4269 1 494 . 1 1 41 41 SER HB3 H 1 4.09 . . 2 . . . . . . . . 4269 1 495 . 1 1 41 41 SER C C 13 174.7 . . 1 . . . . . . . . 4269 1 496 . 1 1 42 42 SER N N 15 117.7 . . 1 . . . . . . . . 4269 1 497 . 1 1 42 42 SER H H 1 8.49 . . 1 . . . . . . . . 4269 1 498 . 1 1 42 42 SER CA C 13 59.1 . . 1 . . . . . . . . 4269 1 499 . 1 1 42 42 SER HA H 1 4.63 . . 1 . . . . . . . . 4269 1 500 . 1 1 42 42 SER CB C 13 64.0 . . 1 . . . . . . . . 4269 1 501 . 1 1 42 42 SER HB2 H 1 4.08 . . 2 . . . . . . . . 4269 1 502 . 1 1 42 42 SER HB3 H 1 4.13 . . 2 . . . . . . . . 4269 1 503 . 1 1 42 42 SER C C 13 175.2 . . 1 . . . . . . . . 4269 1 504 . 1 1 43 43 SER N N 15 116.7 . . 1 . . . . . . . . 4269 1 505 . 1 1 43 43 SER H H 1 8.33 . . 1 . . . . . . . . 4269 1 506 . 1 1 43 43 SER CA C 13 58.7 . . 1 . . . . . . . . 4269 1 507 . 1 1 43 43 SER HA H 1 4.67 . . 1 . . . . . . . . 4269 1 508 . 1 1 43 43 SER CB C 13 64.2 . . 1 . . . . . . . . 4269 1 509 . 1 1 43 43 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4269 1 510 . 1 1 43 43 SER HB3 H 1 4.10 . . 2 . . . . . . . . 4269 1 511 . 1 1 43 43 SER C C 13 174.9 . . 1 . . . . . . . . 4269 1 512 . 1 1 44 44 ASP N N 15 123.0 . . 1 . . . . . . . . 4269 1 513 . 1 1 44 44 ASP H H 1 8.25 . . 1 . . . . . . . . 4269 1 514 . 1 1 44 44 ASP CA C 13 54.8 . . 1 . . . . . . . . 4269 1 515 . 1 1 44 44 ASP HA H 1 4.77 . . 1 . . . . . . . . 4269 1 516 . 1 1 44 44 ASP CB C 13 41.6 . . 1 . . . . . . . . 4269 1 517 . 1 1 44 44 ASP HB2 H 1 2.88 . . 1 . . . . . . . . 4269 1 518 . 1 1 44 44 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4269 1 519 . 1 1 44 44 ASP C C 13 174.4 . . 1 . . . . . . . . 4269 1 520 . 1 1 45 45 ARG N N 15 120.8 . . 1 . . . . . . . . 4269 1 521 . 1 1 45 45 ARG H H 1 8.40 . . 1 . . . . . . . . 4269 1 522 . 1 1 45 45 ARG CA C 13 55.6 . . 1 . . . . . . . . 4269 1 523 . 1 1 45 45 ARG HA H 1 4.76 . . 1 . . . . . . . . 4269 1 524 . 1 1 45 45 ARG CB C 13 30.6 . . 1 . . . . . . . . 4269 1 525 . 1 1 45 45 ARG HB2 H 1 1.95 . . 2 . . . . . . . . 4269 1 526 . 1 1 45 45 ARG HB3 H 1 2.04 . . 2 . . . . . . . . 4269 1 527 . 1 1 45 45 ARG CG C 13 27.3 . . 1 . . . . . . . . 4269 1 528 . 1 1 45 45 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 4269 1 529 . 1 1 45 45 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4269 1 530 . 1 1 45 45 ARG CD C 13 44.3 . . 1 . . . . . . . . 4269 1 531 . 1 1 45 45 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4269 1 532 . 1 1 45 45 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4269 1 533 . 1 1 45 45 ARG NE N 15 85.6 . . 1 . . . . . . . . 4269 1 534 . 1 1 45 45 ARG HE H 1 7.37 . . 1 . . . . . . . . 4269 1 535 . 1 1 45 45 ARG C C 13 175.8 . . 1 . . . . . . . . 4269 1 536 . 1 1 46 46 LYS N N 15 122.6 . . 1 . . . . . . . . 4269 1 537 . 1 1 46 46 LYS H H 1 8.07 . . 1 . . . . . . . . 4269 1 538 . 1 1 46 46 LYS CA C 13 58.7 . . 1 . . . . . . . . 4269 1 539 . 1 1 46 46 LYS HA H 1 4.38 . . 1 . . . . . . . . 4269 1 540 . 1 1 46 46 LYS CB C 13 33.2 . . 1 . . . . . . . . 4269 1 541 . 1 1 46 46 LYS HB2 H 1 2.11 . . 1 . . . . . . . . 4269 1 542 . 1 1 46 46 LYS HB3 H 1 2.11 . . 1 . . . . . . . . 4269 1 543 . 1 1 46 46 LYS CG C 13 25.2 . . 1 . . . . . . . . 4269 1 544 . 1 1 46 46 LYS HG2 H 1 1.69 . . 2 . . . . . . . . 4269 1 545 . 1 1 46 46 LYS HG3 H 1 1.76 . . 2 . . . . . . . . 4269 1 546 . 1 1 46 46 LYS CD C 13 29.4 . . 1 . . . . . . . . 4269 1 547 . 1 1 46 46 LYS HD2 H 1 1.93 . . 1 . . . . . . . . 4269 1 548 . 1 1 46 46 LYS HD3 H 1 1.93 . . 1 . . . . . . . . 4269 1 549 . 1 1 46 46 LYS CE C 13 42.5 . . 1 . . . . . . . . 4269 1 550 . 1 1 46 46 LYS HE2 H 1 3.19 . . 1 . . . . . . . . 4269 1 551 . 1 1 46 46 LYS HE3 H 1 3.19 . . 1 . . . . . . . . 4269 1 552 . 1 1 46 46 LYS C C 13 175.5 . . 1 . . . . . . . . 4269 1 553 . 1 1 47 47 GLY N N 15 113.9 . . 1 . . . . . . . . 4269 1 554 . 1 1 47 47 GLY H H 1 10.54 . . 1 . . . . . . . . 4269 1 555 . 1 1 47 47 GLY CA C 13 47.4 . . 1 . . . . . . . . 4269 1 556 . 1 1 47 47 GLY HA2 H 1 4.28 . . 1 . . . . . . . . 4269 1 557 . 1 1 47 47 GLY HA3 H 1 4.28 . . 1 . . . . . . . . 4269 1 558 . 1 1 47 47 GLY C C 13 179.1 . . 1 . . . . . . . . 4269 1 559 . 1 1 48 48 LEU N N 15 124.4 . . 1 . . . . . . . . 4269 1 560 . 1 1 48 48 LEU H H 1 8.62 . . 1 . . . . . . . . 4269 1 561 . 1 1 48 48 LEU CA C 13 57.6 . . 1 . . . . . . . . 4269 1 562 . 1 1 48 48 LEU HA H 1 3.90 . . 1 . . . . . . . . 4269 1 563 . 1 1 48 48 LEU CB C 13 41.6 . . 1 . . . . . . . . 4269 1 564 . 1 1 48 48 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 4269 1 565 . 1 1 48 48 LEU HB3 H 1 1.83 . . 1 . . . . . . . . 4269 1 566 . 1 1 48 48 LEU CG C 13 27.3 . . 1 . . . . . . . . 4269 1 567 . 1 1 48 48 LEU HG H 1 1.52 . . 1 . . . . . . . . 4269 1 568 . 1 1 48 48 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 4269 1 569 . 1 1 48 48 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 4269 1 570 . 1 1 48 48 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 4269 1 571 . 1 1 48 48 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4269 1 572 . 1 1 48 48 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4269 1 573 . 1 1 48 48 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4269 1 574 . 1 1 48 48 LEU CD1 C 13 22.8 . . 1 . . . . . . . . 4269 1 575 . 1 1 48 48 LEU CD2 C 13 25.8 . . 1 . . . . . . . . 4269 1 576 . 1 1 48 48 LEU C C 13 176.2 . . 1 . . . . . . . . 4269 1 577 . 1 1 49 49 ASP N N 15 117.6 . . 1 . . . . . . . . 4269 1 578 . 1 1 49 49 ASP H H 1 8.28 . . 1 . . . . . . . . 4269 1 579 . 1 1 49 49 ASP CA C 13 57.8 . . 1 . . . . . . . . 4269 1 580 . 1 1 49 49 ASP HA H 1 4.44 . . 1 . . . . . . . . 4269 1 581 . 1 1 49 49 ASP CB C 13 40.2 . . 1 . . . . . . . . 4269 1 582 . 1 1 49 49 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4269 1 583 . 1 1 49 49 ASP HB3 H 1 2.92 . . 1 . . . . . . . . 4269 1 584 . 1 1 49 49 ASP C C 13 178.5 . . 1 . . . . . . . . 4269 1 585 . 1 1 50 50 LEU N N 15 121.5 . . 1 . . . . . . . . 4269 1 586 . 1 1 50 50 LEU H H 1 7.73 . . 1 . . . . . . . . 4269 1 587 . 1 1 50 50 LEU CA C 13 57.9 . . 1 . . . . . . . . 4269 1 588 . 1 1 50 50 LEU HA H 1 4.19 . . 1 . . . . . . . . 4269 1 589 . 1 1 50 50 LEU CB C 13 42.1 . . 1 . . . . . . . . 4269 1 590 . 1 1 50 50 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4269 1 591 . 1 1 50 50 LEU HB3 H 1 2.08 . . 2 . . . . . . . . 4269 1 592 . 1 1 50 50 LEU CG C 13 27.3 . . 1 . . . . . . . . 4269 1 593 . 1 1 50 50 LEU HG H 1 1.92 . . 1 . . . . . . . . 4269 1 594 . 1 1 50 50 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 4269 1 595 . 1 1 50 50 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 4269 1 596 . 1 1 50 50 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 4269 1 597 . 1 1 50 50 LEU HD21 H 1 1.25 . . 2 . . . . . . . . 4269 1 598 . 1 1 50 50 LEU HD22 H 1 1.25 . . 2 . . . . . . . . 4269 1 599 . 1 1 50 50 LEU HD23 H 1 1.25 . . 2 . . . . . . . . 4269 1 600 . 1 1 50 50 LEU CD1 C 13 24.0 . . 1 . . . . . . . . 4269 1 601 . 1 1 50 50 LEU CD2 C 13 25.6 . . 1 . . . . . . . . 4269 1 602 . 1 1 50 50 LEU C C 13 179.2 . . 1 . . . . . . . . 4269 1 603 . 1 1 51 51 LEU N N 15 121.9 . . 1 . . . . . . . . 4269 1 604 . 1 1 51 51 LEU H H 1 7.87 . . 1 . . . . . . . . 4269 1 605 . 1 1 51 51 LEU CA C 13 58.2 . . 1 . . . . . . . . 4269 1 606 . 1 1 51 51 LEU HA H 1 3.14 . . 1 . . . . . . . . 4269 1 607 . 1 1 51 51 LEU CB C 13 41.4 . . 1 . . . . . . . . 4269 1 608 . 1 1 51 51 LEU HB2 H 1 1.23 . . 1 . . . . . . . . 4269 1 609 . 1 1 51 51 LEU HB3 H 1 1.82 . . 1 . . . . . . . . 4269 1 610 . 1 1 51 51 LEU CG C 13 27.2 . . 1 . . . . . . . . 4269 1 611 . 1 1 51 51 LEU HG H 1 1.19 . . 1 . . . . . . . . 4269 1 612 . 1 1 51 51 LEU HD11 H 1 0.53 . . 1 . . . . . . . . 4269 1 613 . 1 1 51 51 LEU HD12 H 1 0.53 . . 1 . . . . . . . . 4269 1 614 . 1 1 51 51 LEU HD13 H 1 0.53 . . 1 . . . . . . . . 4269 1 615 . 1 1 51 51 LEU HD21 H 1 0.68 . . 1 . . . . . . . . 4269 1 616 . 1 1 51 51 LEU HD22 H 1 0.68 . . 1 . . . . . . . . 4269 1 617 . 1 1 51 51 LEU HD23 H 1 0.68 . . 1 . . . . . . . . 4269 1 618 . 1 1 51 51 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4269 1 619 . 1 1 51 51 LEU CD2 C 13 26.7 . . 1 . . . . . . . . 4269 1 620 . 1 1 51 51 LEU C C 13 179.0 . . 1 . . . . . . . . 4269 1 621 . 1 1 52 52 ARG N N 15 115.9 . . 1 . . . . . . . . 4269 1 622 . 1 1 52 52 ARG H H 1 8.48 . . 1 . . . . . . . . 4269 1 623 . 1 1 52 52 ARG CA C 13 60.0 . . 1 . . . . . . . . 4269 1 624 . 1 1 52 52 ARG HA H 1 3.89 . . 1 . . . . . . . . 4269 1 625 . 1 1 52 52 ARG CB C 13 31.1 . . 1 . . . . . . . . 4269 1 626 . 1 1 52 52 ARG HB2 H 1 1.90 . . 2 . . . . . . . . 4269 1 627 . 1 1 52 52 ARG HB3 H 1 1.96 . . 2 . . . . . . . . 4269 1 628 . 1 1 52 52 ARG CG C 13 29.3 . . 1 . . . . . . . . 4269 1 629 . 1 1 52 52 ARG HG2 H 1 1.55 . . 1 . . . . . . . . 4269 1 630 . 1 1 52 52 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 4269 1 631 . 1 1 52 52 ARG CD C 13 43.7 . . 1 . . . . . . . . 4269 1 632 . 1 1 52 52 ARG HD2 H 1 3.01 . . 2 . . . . . . . . 4269 1 633 . 1 1 52 52 ARG HD3 H 1 3.12 . . 2 . . . . . . . . 4269 1 634 . 1 1 52 52 ARG NE N 15 116.6 . . 1 . . . . . . . . 4269 1 635 . 1 1 52 52 ARG HE H 1 7.79 . . 1 . . . . . . . . 4269 1 636 . 1 1 52 52 ARG C C 13 178.8 . . 1 . . . . . . . . 4269 1 637 . 1 1 53 53 MET N N 15 114.2 . . 1 . . . . . . . . 4269 1 638 . 1 1 53 53 MET H H 1 7.29 . . 1 . . . . . . . . 4269 1 639 . 1 1 53 53 MET CA C 13 56.8 . . 1 . . . . . . . . 4269 1 640 . 1 1 53 53 MET HA H 1 4.48 . . 1 . . . . . . . . 4269 1 641 . 1 1 53 53 MET CB C 13 33.7 . . 1 . . . . . . . . 4269 1 642 . 1 1 53 53 MET HB2 H 1 2.29 . . 1 . . . . . . . . 4269 1 643 . 1 1 53 53 MET HB3 H 1 2.37 . . 1 . . . . . . . . 4269 1 644 . 1 1 53 53 MET CG C 13 32.4 . . 1 . . . . . . . . 4269 1 645 . 1 1 53 53 MET HG2 H 1 2.78 . . 2 . . . . . . . . 4269 1 646 . 1 1 53 53 MET HG3 H 1 2.89 . . 2 . . . . . . . . 4269 1 647 . 1 1 53 53 MET C C 13 178.0 . . 1 . . . . . . . . 4269 1 648 . 1 1 54 54 LYS N N 15 118.3 . . 1 . . . . . . . . 4269 1 649 . 1 1 54 54 LYS H H 1 7.66 . . 1 . . . . . . . . 4269 1 650 . 1 1 54 54 LYS CA C 13 57.2 . . 1 . . . . . . . . 4269 1 651 . 1 1 54 54 LYS HA H 1 4.43 . . 1 . . . . . . . . 4269 1 652 . 1 1 54 54 LYS CB C 13 35.0 . . 1 . . . . . . . . 4269 1 653 . 1 1 54 54 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 4269 1 654 . 1 1 54 54 LYS HB3 H 1 2.15 . . 2 . . . . . . . . 4269 1 655 . 1 1 54 54 LYS CG C 13 29.1 . . 1 . . . . . . . . 4269 1 656 . 1 1 54 54 LYS HG2 H 1 1.76 . . 2 . . . . . . . . 4269 1 657 . 1 1 54 54 LYS HG3 H 1 1.99 . . 2 . . . . . . . . 4269 1 658 . 1 1 54 54 LYS CD C 13 26.2 . . 1 . . . . . . . . 4269 1 659 . 1 1 54 54 LYS HD2 H 1 1.66 . . 2 . . . . . . . . 4269 1 660 . 1 1 54 54 LYS HD3 H 1 1.80 . . 2 . . . . . . . . 4269 1 661 . 1 1 54 54 LYS CE C 13 43.1 . . 1 . . . . . . . . 4269 1 662 . 1 1 54 54 LYS HE2 H 1 3.43 . . 2 . . . . . . . . 4269 1 663 . 1 1 54 54 LYS HE3 H 1 3.12 . . 2 . . . . . . . . 4269 1 664 . 1 1 54 54 LYS C C 13 177.1 . . 1 . . . . . . . . 4269 1 665 . 1 1 55 55 VAL N N 15 111.3 . . 1 . . . . . . . . 4269 1 666 . 1 1 55 55 VAL H H 1 7.07 . . 1 . . . . . . . . 4269 1 667 . 1 1 55 55 VAL CA C 13 61.9 . . 1 . . . . . . . . 4269 1 668 . 1 1 55 55 VAL HA H 1 4.13 . . 1 . . . . . . . . 4269 1 669 . 1 1 55 55 VAL CB C 13 33.5 . . 1 . . . . . . . . 4269 1 670 . 1 1 55 55 VAL HB H 1 2.04 . . 1 . . . . . . . . 4269 1 671 . 1 1 55 55 VAL HG11 H 1 0.94 . . 2 . . . . . . . . 4269 1 672 . 1 1 55 55 VAL HG12 H 1 0.94 . . 2 . . . . . . . . 4269 1 673 . 1 1 55 55 VAL HG13 H 1 0.94 . . 2 . . . . . . . . 4269 1 674 . 1 1 55 55 VAL HG21 H 1 0.28 . . 2 . . . . . . . . 4269 1 675 . 1 1 55 55 VAL HG22 H 1 0.28 . . 2 . . . . . . . . 4269 1 676 . 1 1 55 55 VAL HG23 H 1 0.28 . . 2 . . . . . . . . 4269 1 677 . 1 1 55 55 VAL CG1 C 13 18.7 . . 1 . . . . . . . . 4269 1 678 . 1 1 55 55 VAL CG2 C 13 21.0 . . 1 . . . . . . . . 4269 1 679 . 1 1 55 55 VAL C C 13 178.1 . . 1 . . . . . . . . 4269 1 680 . 1 1 56 56 GLU N N 15 122.0 . . 1 . . . . . . . . 4269 1 681 . 1 1 56 56 GLU H H 1 9.34 . . 1 . . . . . . . . 4269 1 682 . 1 1 56 56 GLU CA C 13 53.9 . . 1 . . . . . . . . 4269 1 683 . 1 1 56 56 GLU HA H 1 4.73 . . 1 . . . . . . . . 4269 1 684 . 1 1 56 56 GLU CB C 13 34.1 . . 1 . . . . . . . . 4269 1 685 . 1 1 56 56 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 4269 1 686 . 1 1 56 56 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 4269 1 687 . 1 1 56 56 GLU CG C 13 35.9 . . 1 . . . . . . . . 4269 1 688 . 1 1 56 56 GLU HG2 H 1 2.37 . . 2 . . . . . . . . 4269 1 689 . 1 1 56 56 GLU HG3 H 1 2.46 . . 2 . . . . . . . . 4269 1 690 . 1 1 56 56 GLU C C 13 174.7 . . 1 . . . . . . . . 4269 1 691 . 1 1 57 57 GLU N N 15 119.9 . . 1 . . . . . . . . 4269 1 692 . 1 1 57 57 GLU H H 1 8.40 . . 1 . . . . . . . . 4269 1 693 . 1 1 57 57 GLU CA C 13 58.8 . . 1 . . . . . . . . 4269 1 694 . 1 1 57 57 GLU HA H 1 4.13 . . 1 . . . . . . . . 4269 1 695 . 1 1 57 57 GLU CB C 13 29.8 . . 1 . . . . . . . . 4269 1 696 . 1 1 57 57 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4269 1 697 . 1 1 57 57 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 4269 1 698 . 1 1 57 57 GLU CG C 13 36.2 . . 1 . . . . . . . . 4269 1 699 . 1 1 57 57 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 4269 1 700 . 1 1 57 57 GLU HG3 H 1 2.58 . . 2 . . . . . . . . 4269 1 701 . 1 1 57 57 GLU C C 13 174.3 . . 1 . . . . . . . . 4269 1 702 . 1 1 58 58 GLY N N 15 115.4 . . 1 . . . . . . . . 4269 1 703 . 1 1 58 58 GLY H H 1 8.75 . . 1 . . . . . . . . 4269 1 704 . 1 1 58 58 GLY CA C 13 45.2 . . 1 . . . . . . . . 4269 1 705 . 1 1 58 58 GLY HA2 H 1 4.67 . . 2 . . . . . . . . 4269 1 706 . 1 1 58 58 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 4269 1 707 . 1 1 58 58 GLY C C 13 177.6 . . 1 . . . . . . . . 4269 1 708 . 1 1 59 59 ASP N N 15 120.4 . . 1 . . . . . . . . 4269 1 709 . 1 1 59 59 ASP H H 1 8.38 . . 1 . . . . . . . . 4269 1 710 . 1 1 59 59 ASP CA C 13 55.9 . . 1 . . . . . . . . 4269 1 711 . 1 1 59 59 ASP HA H 1 5.22 . . 1 . . . . . . . . 4269 1 712 . 1 1 59 59 ASP CB C 13 42.2 . . 1 . . . . . . . . 4269 1 713 . 1 1 59 59 ASP HB2 H 1 3.10 . . 1 . . . . . . . . 4269 1 714 . 1 1 59 59 ASP HB3 H 1 3.18 . . 1 . . . . . . . . 4269 1 715 . 1 1 59 59 ASP C C 13 174.8 . . 1 . . . . . . . . 4269 1 716 . 1 1 60 60 VAL N N 15 119.4 . . 1 . . . . . . . . 4269 1 717 . 1 1 60 60 VAL H H 1 8.24 . . 1 . . . . . . . . 4269 1 718 . 1 1 60 60 VAL CA C 13 61.0 . . 1 . . . . . . . . 4269 1 719 . 1 1 60 60 VAL HA H 1 4.93 . . 1 . . . . . . . . 4269 1 720 . 1 1 60 60 VAL CB C 13 36.2 . . 1 . . . . . . . . 4269 1 721 . 1 1 60 60 VAL HB H 1 1.98 . . 1 . . . . . . . . 4269 1 722 . 1 1 60 60 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 4269 1 723 . 1 1 60 60 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 4269 1 724 . 1 1 60 60 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 4269 1 725 . 1 1 60 60 VAL HG21 H 1 1.04 . . 2 . . . . . . . . 4269 1 726 . 1 1 60 60 VAL HG22 H 1 1.04 . . 2 . . . . . . . . 4269 1 727 . 1 1 60 60 VAL HG23 H 1 1.04 . . 2 . . . . . . . . 4269 1 728 . 1 1 60 60 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 4269 1 729 . 1 1 60 60 VAL CG2 C 13 22.2 . . 1 . . . . . . . . 4269 1 730 . 1 1 60 60 VAL C C 13 174.5 . . 1 . . . . . . . . 4269 1 731 . 1 1 61 61 ILE N N 15 125.6 . . 1 . . . . . . . . 4269 1 732 . 1 1 61 61 ILE H H 1 8.82 . . 1 . . . . . . . . 4269 1 733 . 1 1 61 61 ILE CA C 13 59.9 . . 1 . . . . . . . . 4269 1 734 . 1 1 61 61 ILE HA H 1 4.34 . . 1 . . . . . . . . 4269 1 735 . 1 1 61 61 ILE CB C 13 40.3 . . 1 . . . . . . . . 4269 1 736 . 1 1 61 61 ILE HB H 1 1.48 . . 1 . . . . . . . . 4269 1 737 . 1 1 61 61 ILE HG21 H 1 0.61 . . 1 . . . . . . . . 4269 1 738 . 1 1 61 61 ILE HG22 H 1 0.61 . . 1 . . . . . . . . 4269 1 739 . 1 1 61 61 ILE HG23 H 1 0.61 . . 1 . . . . . . . . 4269 1 740 . 1 1 61 61 ILE CG2 C 13 18.4 . . 1 . . . . . . . . 4269 1 741 . 1 1 61 61 ILE CG1 C 13 27.0 . . 1 . . . . . . . . 4269 1 742 . 1 1 61 61 ILE HG12 H 1 0.48 . . 2 . . . . . . . . 4269 1 743 . 1 1 61 61 ILE HG13 H 1 1.22 . . 2 . . . . . . . . 4269 1 744 . 1 1 61 61 ILE HD11 H 1 -0.18 . . 1 . . . . . . . . 4269 1 745 . 1 1 61 61 ILE HD12 H 1 -0.18 . . 1 . . . . . . . . 4269 1 746 . 1 1 61 61 ILE HD13 H 1 -0.18 . . 1 . . . . . . . . 4269 1 747 . 1 1 61 61 ILE CD1 C 13 14.2 . . 1 . . . . . . . . 4269 1 748 . 1 1 61 61 ILE C C 13 174.1 . . 1 . . . . . . . . 4269 1 749 . 1 1 62 62 LEU N N 15 127.8 . . 1 . . . . . . . . 4269 1 750 . 1 1 62 62 LEU H H 1 9.20 . . 1 . . . . . . . . 4269 1 751 . 1 1 62 62 LEU CA C 13 53.9 . . 1 . . . . . . . . 4269 1 752 . 1 1 62 62 LEU HA H 1 5.35 . . 1 . . . . . . . . 4269 1 753 . 1 1 62 62 LEU CB C 13 43.9 . . 1 . . . . . . . . 4269 1 754 . 1 1 62 62 LEU HB2 H 1 1.39 . . 1 . . . . . . . . 4269 1 755 . 1 1 62 62 LEU HB3 H 1 1.79 . . 1 . . . . . . . . 4269 1 756 . 1 1 62 62 LEU CG C 13 27.6 . . 1 . . . . . . . . 4269 1 757 . 1 1 62 62 LEU HG H 1 1.73 . . 1 . . . . . . . . 4269 1 758 . 1 1 62 62 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4269 1 759 . 1 1 62 62 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4269 1 760 . 1 1 62 62 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4269 1 761 . 1 1 62 62 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4269 1 762 . 1 1 62 62 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4269 1 763 . 1 1 62 62 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4269 1 764 . 1 1 62 62 LEU CD1 C 13 24.9 . . 1 . . . . . . . . 4269 1 765 . 1 1 62 62 LEU CD2 C 13 26.1 . . 1 . . . . . . . . 4269 1 766 . 1 1 62 62 LEU C C 13 174.1 . . 1 . . . . . . . . 4269 1 767 . 1 1 63 63 VAL N N 15 117.7 . . 1 . . . . . . . . 4269 1 768 . 1 1 63 63 VAL H H 1 8.31 . . 1 . . . . . . . . 4269 1 769 . 1 1 63 63 VAL CA C 13 60.0 . . 1 . . . . . . . . 4269 1 770 . 1 1 63 63 VAL HA H 1 4.88 . . 1 . . . . . . . . 4269 1 771 . 1 1 63 63 VAL CB C 13 36.1 . . 1 . . . . . . . . 4269 1 772 . 1 1 63 63 VAL HB H 1 1.95 . . 1 . . . . . . . . 4269 1 773 . 1 1 63 63 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4269 1 774 . 1 1 63 63 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4269 1 775 . 1 1 63 63 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4269 1 776 . 1 1 63 63 VAL HG21 H 1 1.21 . . 2 . . . . . . . . 4269 1 777 . 1 1 63 63 VAL HG22 H 1 1.21 . . 2 . . . . . . . . 4269 1 778 . 1 1 63 63 VAL HG23 H 1 1.21 . . 2 . . . . . . . . 4269 1 779 . 1 1 63 63 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 4269 1 780 . 1 1 63 63 VAL CG2 C 13 22.5 . . 1 . . . . . . . . 4269 1 781 . 1 1 63 63 VAL C C 13 175.6 . . 1 . . . . . . . . 4269 1 782 . 1 1 64 64 LYS N N 15 127.2 . . 1 . . . . . . . . 4269 1 783 . 1 1 64 64 LYS H H 1 9.75 . . 1 . . . . . . . . 4269 1 784 . 1 1 64 64 LYS CA C 13 55.5 . . 1 . . . . . . . . 4269 1 785 . 1 1 64 64 LYS C C 13 175.3 . . 1 . . . . . . . . 4269 1 786 . 1 1 65 65 LYS CA C 13 57.0 . . 1 . . . . . . . . 4269 1 787 . 1 1 65 65 LYS CB C 13 34.5 . . 1 . . . . . . . . 4269 1 788 . 1 1 66 66 LEU N N 15 125.5 . . 1 . . . . . . . . 4269 1 789 . 1 1 66 66 LEU H H 1 8.65 . . 1 . . . . . . . . 4269 1 790 . 1 1 66 66 LEU CA C 13 56.4 . . 1 . . . . . . . . 4269 1 791 . 1 1 66 66 LEU HA H 1 4.53 . . 1 . . . . . . . . 4269 1 792 . 1 1 66 66 LEU CB C 13 42.7 . . 1 . . . . . . . . 4269 1 793 . 1 1 66 66 LEU HB2 H 1 1.77 . . 1 . . . . . . . . 4269 1 794 . 1 1 66 66 LEU HB3 H 1 1.77 . . 1 . . . . . . . . 4269 1 795 . 1 1 66 66 LEU CG C 13 27.7 . . 1 . . . . . . . . 4269 1 796 . 1 1 66 66 LEU HG H 1 1.82 . . 1 . . . . . . . . 4269 1 797 . 1 1 66 66 LEU HD11 H 1 1.05 . . 2 . . . . . . . . 4269 1 798 . 1 1 66 66 LEU HD12 H 1 1.05 . . 2 . . . . . . . . 4269 1 799 . 1 1 66 66 LEU HD13 H 1 1.05 . . 2 . . . . . . . . 4269 1 800 . 1 1 66 66 LEU HD21 H 1 1.03 . . 2 . . . . . . . . 4269 1 801 . 1 1 66 66 LEU HD22 H 1 1.03 . . 2 . . . . . . . . 4269 1 802 . 1 1 66 66 LEU HD23 H 1 1.03 . . 2 . . . . . . . . 4269 1 803 . 1 1 66 66 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4269 1 804 . 1 1 66 66 LEU CD2 C 13 24.1 . . 1 . . . . . . . . 4269 1 805 . 1 1 66 66 LEU C C 13 176.2 . . 1 . . . . . . . . 4269 1 806 . 1 1 68 68 ARG CA C 13 56.9 . . 1 . . . . . . . . 4269 1 807 . 1 1 68 68 ARG CB C 13 31.1 . . 1 . . . . . . . . 4269 1 808 . 1 1 69 69 LEU N N 15 120.6 . . 1 . . . . . . . . 4269 1 809 . 1 1 69 69 LEU H H 1 8.25 . . 1 . . . . . . . . 4269 1 810 . 1 1 69 69 LEU CA C 13 55.7 . . 1 . . . . . . . . 4269 1 811 . 1 1 69 69 LEU HA H 1 4.54 . . 1 . . . . . . . . 4269 1 812 . 1 1 69 69 LEU CB C 13 42.5 . . 1 . . . . . . . . 4269 1 813 . 1 1 69 69 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4269 1 814 . 1 1 69 69 LEU HB3 H 1 1.89 . . 1 . . . . . . . . 4269 1 815 . 1 1 69 69 LEU CG C 13 27.7 . . 1 . . . . . . . . 4269 1 816 . 1 1 69 69 LEU HG H 1 1.77 . . 1 . . . . . . . . 4269 1 817 . 1 1 69 69 LEU HD11 H 1 1.06 . . 2 . . . . . . . . 4269 1 818 . 1 1 69 69 LEU HD12 H 1 1.06 . . 2 . . . . . . . . 4269 1 819 . 1 1 69 69 LEU HD13 H 1 1.06 . . 2 . . . . . . . . 4269 1 820 . 1 1 69 69 LEU HD21 H 1 1.03 . . 2 . . . . . . . . 4269 1 821 . 1 1 69 69 LEU HD22 H 1 1.03 . . 2 . . . . . . . . 4269 1 822 . 1 1 69 69 LEU HD23 H 1 1.03 . . 2 . . . . . . . . 4269 1 823 . 1 1 69 69 LEU CD1 C 13 25.1 . . 1 . . . . . . . . 4269 1 824 . 1 1 69 69 LEU CD2 C 13 24.1 . . 1 . . . . . . . . 4269 1 825 . 1 1 69 69 LEU C C 13 176.5 . . 1 . . . . . . . . 4269 1 826 . 1 1 72 72 ASP CA C 13 54.6 . . 1 . . . . . . . . 4269 1 827 . 1 1 72 72 ASP CB C 13 41.5 . . 1 . . . . . . . . 4269 1 828 . 1 1 73 73 THR N N 15 114.6 . . 1 . . . . . . . . 4269 1 829 . 1 1 73 73 THR H H 1 8.09 . . 1 . . . . . . . . 4269 1 830 . 1 1 73 73 THR CA C 13 63.8 . . 1 . . . . . . . . 4269 1 831 . 1 1 73 73 THR HA H 1 4.32 . . 1 . . . . . . . . 4269 1 832 . 1 1 73 73 THR CB C 13 69.7 . . 1 . . . . . . . . 4269 1 833 . 1 1 73 73 THR HB H 1 4.46 . . 1 . . . . . . . . 4269 1 834 . 1 1 73 73 THR HG21 H 1 1.37 . . 1 . . . . . . . . 4269 1 835 . 1 1 73 73 THR HG22 H 1 1.37 . . 1 . . . . . . . . 4269 1 836 . 1 1 73 73 THR HG23 H 1 1.37 . . 1 . . . . . . . . 4269 1 837 . 1 1 73 73 THR CG2 C 13 22.2 . . 1 . . . . . . . . 4269 1 838 . 1 1 74 74 ALA N N 15 124.9 . . 1 . . . . . . . . 4269 1 839 . 1 1 74 74 ALA H H 1 8.52 . . 1 . . . . . . . . 4269 1 840 . 1 1 74 74 ALA CA C 13 55.2 . . 1 . . . . . . . . 4269 1 841 . 1 1 74 74 ALA HA H 1 4.27 . . 1 . . . . . . . . 4269 1 842 . 1 1 74 74 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4269 1 843 . 1 1 74 74 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4269 1 844 . 1 1 74 74 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4269 1 845 . 1 1 74 74 ALA CB C 13 18.6 . . 1 . . . . . . . . 4269 1 846 . 1 1 74 74 ALA C C 13 175.5 . . 1 . . . . . . . . 4269 1 847 . 1 1 75 75 ASP N N 15 118.0 . . 1 . . . . . . . . 4269 1 848 . 1 1 75 75 ASP H H 1 8.50 . . 1 . . . . . . . . 4269 1 849 . 1 1 75 75 ASP CA C 13 56.6 . . 1 . . . . . . . . 4269 1 850 . 1 1 75 75 ASP HA H 1 4.58 . . 1 . . . . . . . . 4269 1 851 . 1 1 75 75 ASP CB C 13 41.2 . . 1 . . . . . . . . 4269 1 852 . 1 1 75 75 ASP HB2 H 1 2.85 . . 1 . . . . . . . . 4269 1 853 . 1 1 75 75 ASP HB3 H 1 2.93 . . 1 . . . . . . . . 4269 1 854 . 1 1 75 75 ASP C C 13 179.9 . . 1 . . . . . . . . 4269 1 855 . 1 1 76 76 MET N N 15 120.0 . . 1 . . . . . . . . 4269 1 856 . 1 1 76 76 MET H H 1 8.12 . . 1 . . . . . . . . 4269 1 857 . 1 1 76 76 MET CA C 13 57.6 . . 1 . . . . . . . . 4269 1 858 . 1 1 76 76 MET HA H 1 4.61 . . 1 . . . . . . . . 4269 1 859 . 1 1 76 76 MET CB C 13 32.6 . . 1 . . . . . . . . 4269 1 860 . 1 1 76 76 MET HB2 H 1 2.31 . . 2 . . . . . . . . 4269 1 861 . 1 1 76 76 MET HB3 H 1 2.42 . . 2 . . . . . . . . 4269 1 862 . 1 1 76 76 MET CG C 13 32.7 . . 1 . . . . . . . . 4269 1 863 . 1 1 76 76 MET HG2 H 1 2.77 . . 2 . . . . . . . . 4269 1 864 . 1 1 76 76 MET HG3 H 1 2.86 . . 2 . . . . . . . . 4269 1 865 . 1 1 76 76 MET C C 13 178.3 . . 1 . . . . . . . . 4269 1 866 . 1 1 77 77 ILE N N 15 119.7 . . 1 . . . . . . . . 4269 1 867 . 1 1 77 77 ILE H H 1 8.27 . . 1 . . . . . . . . 4269 1 868 . 1 1 77 77 ILE CA C 13 65.0 . . 1 . . . . . . . . 4269 1 869 . 1 1 77 77 ILE HA H 1 3.87 . . 1 . . . . . . . . 4269 1 870 . 1 1 77 77 ILE CB C 13 37.8 . . 1 . . . . . . . . 4269 1 871 . 1 1 77 77 ILE HB H 1 2.12 . . 1 . . . . . . . . 4269 1 872 . 1 1 77 77 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 4269 1 873 . 1 1 77 77 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 4269 1 874 . 1 1 77 77 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 4269 1 875 . 1 1 77 77 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4269 1 876 . 1 1 77 77 ILE CG1 C 13 29.8 . . 1 . . . . . . . . 4269 1 877 . 1 1 77 77 ILE HG12 H 1 1.43 . . 2 . . . . . . . . 4269 1 878 . 1 1 77 77 ILE HG13 H 1 1.83 . . 2 . . . . . . . . 4269 1 879 . 1 1 77 77 ILE HD11 H 1 0.99 . . 1 . . . . . . . . 4269 1 880 . 1 1 77 77 ILE HD12 H 1 0.99 . . 1 . . . . . . . . 4269 1 881 . 1 1 77 77 ILE HD13 H 1 0.99 . . 1 . . . . . . . . 4269 1 882 . 1 1 77 77 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4269 1 883 . 1 1 77 77 ILE C C 13 177.8 . . 1 . . . . . . . . 4269 1 884 . 1 1 78 78 GLN N N 15 118.8 . . 1 . . . . . . . . 4269 1 885 . 1 1 78 78 GLN H H 1 7.90 . . 1 . . . . . . . . 4269 1 886 . 1 1 78 78 GLN CA C 13 58.9 . . 1 . . . . . . . . 4269 1 887 . 1 1 78 78 GLN HA H 1 4.18 . . 1 . . . . . . . . 4269 1 888 . 1 1 78 78 GLN CB C 13 28.3 . . 1 . . . . . . . . 4269 1 889 . 1 1 78 78 GLN HB2 H 1 2.30 . . 1 . . . . . . . . 4269 1 890 . 1 1 78 78 GLN HB3 H 1 2.30 . . 1 . . . . . . . . 4269 1 891 . 1 1 78 78 GLN CG C 13 33.7 . . 1 . . . . . . . . 4269 1 892 . 1 1 78 78 GLN HG2 H 1 2.58 . . 1 . . . . . . . . 4269 1 893 . 1 1 78 78 GLN HG3 H 1 2.58 . . 1 . . . . . . . . 4269 1 894 . 1 1 78 78 GLN NE2 N 15 112.5 . . 1 . . . . . . . . 4269 1 895 . 1 1 78 78 GLN HE21 H 1 7.64 . . 2 . . . . . . . . 4269 1 896 . 1 1 78 78 GLN HE22 H 1 7.00 . . 2 . . . . . . . . 4269 1 897 . 1 1 78 78 GLN C C 13 178.6 . . 1 . . . . . . . . 4269 1 898 . 1 1 79 79 LEU N N 15 121.4 . . 1 . . . . . . . . 4269 1 899 . 1 1 79 79 LEU H H 1 7.99 . . 1 . . . . . . . . 4269 1 900 . 1 1 79 79 LEU CA C 13 58.5 . . 1 . . . . . . . . 4269 1 901 . 1 1 79 79 LEU HA H 1 4.20 . . 1 . . . . . . . . 4269 1 902 . 1 1 79 79 LEU CB C 13 42.4 . . 1 . . . . . . . . 4269 1 903 . 1 1 79 79 LEU HB2 H 1 1.76 . . 1 . . . . . . . . 4269 1 904 . 1 1 79 79 LEU HB3 H 1 2.09 . . 1 . . . . . . . . 4269 1 905 . 1 1 79 79 LEU CG C 13 27.0 . . 1 . . . . . . . . 4269 1 906 . 1 1 79 79 LEU HG H 1 1.93 . . 1 . . . . . . . . 4269 1 907 . 1 1 79 79 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4269 1 908 . 1 1 79 79 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4269 1 909 . 1 1 79 79 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4269 1 910 . 1 1 79 79 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 4269 1 911 . 1 1 79 79 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 4269 1 912 . 1 1 79 79 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 4269 1 913 . 1 1 79 79 LEU CD1 C 13 25.0 . . 1 . . . . . . . . 4269 1 914 . 1 1 79 79 LEU CD2 C 13 25.8 . . 1 . . . . . . . . 4269 1 915 . 1 1 79 79 LEU C C 13 178.4 . . 1 . . . . . . . . 4269 1 916 . 1 1 80 80 ILE N N 15 119.2 . . 1 . . . . . . . . 4269 1 917 . 1 1 80 80 ILE H H 1 8.54 . . 1 . . . . . . . . 4269 1 918 . 1 1 80 80 ILE CA C 13 66.1 . . 1 . . . . . . . . 4269 1 919 . 1 1 80 80 ILE HA H 1 3.82 . . 1 . . . . . . . . 4269 1 920 . 1 1 80 80 ILE CB C 13 38.6 . . 1 . . . . . . . . 4269 1 921 . 1 1 80 80 ILE HB H 1 2.11 . . 1 . . . . . . . . 4269 1 922 . 1 1 80 80 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 4269 1 923 . 1 1 80 80 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 4269 1 924 . 1 1 80 80 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 4269 1 925 . 1 1 80 80 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4269 1 926 . 1 1 80 80 ILE CG1 C 13 30.3 . . 1 . . . . . . . . 4269 1 927 . 1 1 80 80 ILE HG12 H 1 1.19 . . 2 . . . . . . . . 4269 1 928 . 1 1 80 80 ILE HG13 H 1 2.10 . . 2 . . . . . . . . 4269 1 929 . 1 1 80 80 ILE HD11 H 1 1.11 . . 1 . . . . . . . . 4269 1 930 . 1 1 80 80 ILE HD12 H 1 1.11 . . 1 . . . . . . . . 4269 1 931 . 1 1 80 80 ILE HD13 H 1 1.11 . . 1 . . . . . . . . 4269 1 932 . 1 1 80 80 ILE CD1 C 13 14.2 . . 1 . . . . . . . . 4269 1 933 . 1 1 80 80 ILE C C 13 178.9 . . 1 . . . . . . . . 4269 1 934 . 1 1 81 81 LYS N N 15 119.7 . . 1 . . . . . . . . 4269 1 935 . 1 1 81 81 LYS H H 1 7.97 . . 1 . . . . . . . . 4269 1 936 . 1 1 81 81 LYS CA C 13 59.8 . . 1 . . . . . . . . 4269 1 937 . 1 1 81 81 LYS HA H 1 4.25 . . 1 . . . . . . . . 4269 1 938 . 1 1 81 81 LYS CB C 13 32.7 . . 1 . . . . . . . . 4269 1 939 . 1 1 81 81 LYS HB2 H 1 2.08 . . 1 . . . . . . . . 4269 1 940 . 1 1 81 81 LYS HB3 H 1 2.08 . . 1 . . . . . . . . 4269 1 941 . 1 1 81 81 LYS CG C 13 29.6 . . 1 . . . . . . . . 4269 1 942 . 1 1 81 81 LYS HG2 H 1 1.82 . . 1 . . . . . . . . 4269 1 943 . 1 1 81 81 LYS HG3 H 1 1.82 . . 1 . . . . . . . . 4269 1 944 . 1 1 81 81 LYS CD C 13 25.7 . . 1 . . . . . . . . 4269 1 945 . 1 1 81 81 LYS HD2 H 1 1.60 . . 2 . . . . . . . . 4269 1 946 . 1 1 81 81 LYS HD3 H 1 1.80 . . 2 . . . . . . . . 4269 1 947 . 1 1 81 81 LYS CE C 13 42.5 . . 1 . . . . . . . . 4269 1 948 . 1 1 81 81 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 4269 1 949 . 1 1 81 81 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 4269 1 950 . 1 1 81 81 LYS C C 13 173.7 . . 1 . . . . . . . . 4269 1 951 . 1 1 82 82 GLU N N 15 120.9 . . 1 . . . . . . . . 4269 1 952 . 1 1 82 82 GLU H H 1 8.30 . . 1 . . . . . . . . 4269 1 953 . 1 1 82 82 GLU CA C 13 59.3 . . 1 . . . . . . . . 4269 1 954 . 1 1 82 82 GLU HA H 1 4.06 . . 1 . . . . . . . . 4269 1 955 . 1 1 82 82 GLU CB C 13 29.6 . . 1 . . . . . . . . 4269 1 956 . 1 1 82 82 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4269 1 957 . 1 1 82 82 GLU HB3 H 1 2.14 . . 1 . . . . . . . . 4269 1 958 . 1 1 82 82 GLU CG C 13 36.0 . . 1 . . . . . . . . 4269 1 959 . 1 1 82 82 GLU HG2 H 1 1.88 . . 2 . . . . . . . . 4269 1 960 . 1 1 82 82 GLU HG3 H 1 2.31 . . 2 . . . . . . . . 4269 1 961 . 1 1 82 82 GLU C C 13 179.6 . . 1 . . . . . . . . 4269 1 962 . 1 1 83 83 PHE N N 15 117.5 . . 1 . . . . . . . . 4269 1 963 . 1 1 83 83 PHE H H 1 8.39 . . 1 . . . . . . . . 4269 1 964 . 1 1 83 83 PHE CA C 13 62.6 . . 1 . . . . . . . . 4269 1 965 . 1 1 83 83 PHE HA H 1 4.42 . . 1 . . . . . . . . 4269 1 966 . 1 1 83 83 PHE CB C 13 37.6 . . 1 . . . . . . . . 4269 1 967 . 1 1 83 83 PHE HB2 H 1 3.24 . . 2 . . . . . . . . 4269 1 968 . 1 1 83 83 PHE HB3 H 1 2.93 . . 2 . . . . . . . . 4269 1 969 . 1 1 83 83 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 4269 1 970 . 1 1 83 83 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 4269 1 971 . 1 1 83 83 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 4269 1 972 . 1 1 83 83 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 4269 1 973 . 1 1 83 83 PHE HZ H 1 6.79 . . 1 . . . . . . . . 4269 1 974 . 1 1 83 83 PHE C C 13 179.7 . . 1 . . . . . . . . 4269 1 975 . 1 1 84 84 ASP N N 15 123.4 . . 1 . . . . . . . . 4269 1 976 . 1 1 84 84 ASP H H 1 8.83 . . 1 . . . . . . . . 4269 1 977 . 1 1 84 84 ASP CA C 13 58.0 . . 1 . . . . . . . . 4269 1 978 . 1 1 84 84 ASP HA H 1 4.63 . . 1 . . . . . . . . 4269 1 979 . 1 1 84 84 ASP CB C 13 42.1 . . 1 . . . . . . . . 4269 1 980 . 1 1 84 84 ASP HB2 H 1 3.14 . . 2 . . . . . . . . 4269 1 981 . 1 1 84 84 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 4269 1 982 . 1 1 84 84 ASP C C 13 179.0 . . 1 . . . . . . . . 4269 1 983 . 1 1 85 85 ALA N N 15 120.7 . . 1 . . . . . . . . 4269 1 984 . 1 1 85 85 ALA H H 1 7.69 . . 1 . . . . . . . . 4269 1 985 . 1 1 85 85 ALA CA C 13 54.5 . . 1 . . . . . . . . 4269 1 986 . 1 1 85 85 ALA HA H 1 4.37 . . 1 . . . . . . . . 4269 1 987 . 1 1 85 85 ALA HB1 H 1 1.66 . . 1 . . . . . . . . 4269 1 988 . 1 1 85 85 ALA HB2 H 1 1.66 . . 1 . . . . . . . . 4269 1 989 . 1 1 85 85 ALA HB3 H 1 1.66 . . 1 . . . . . . . . 4269 1 990 . 1 1 85 85 ALA CB C 13 18.5 . . 1 . . . . . . . . 4269 1 991 . 1 1 85 85 ALA C C 13 180.0 . . 1 . . . . . . . . 4269 1 992 . 1 1 86 86 GLN N N 15 115.3 . . 1 . . . . . . . . 4269 1 993 . 1 1 86 86 GLN H H 1 7.60 . . 1 . . . . . . . . 4269 1 994 . 1 1 86 86 GLN CA C 13 55.0 . . 1 . . . . . . . . 4269 1 995 . 1 1 86 86 GLN HA H 1 4.64 . . 1 . . . . . . . . 4269 1 996 . 1 1 86 86 GLN CB C 13 30.5 . . 1 . . . . . . . . 4269 1 997 . 1 1 86 86 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 4269 1 998 . 1 1 86 86 GLN HB3 H 1 2.45 . . 2 . . . . . . . . 4269 1 999 . 1 1 86 86 GLN CG C 13 34.5 . . 1 . . . . . . . . 4269 1 1000 . 1 1 86 86 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4269 1 1001 . 1 1 86 86 GLN HG3 H 1 2.56 . . 2 . . . . . . . . 4269 1 1002 . 1 1 86 86 GLN NE2 N 15 110.5 . . 1 . . . . . . . . 4269 1 1003 . 1 1 86 86 GLN HE21 H 1 7.27 . . 2 . . . . . . . . 4269 1 1004 . 1 1 86 86 GLN HE22 H 1 6.70 . . 2 . . . . . . . . 4269 1 1005 . 1 1 86 86 GLN C C 13 178.6 . . 1 . . . . . . . . 4269 1 1006 . 1 1 87 87 GLY N N 15 107.7 . . 1 . . . . . . . . 4269 1 1007 . 1 1 87 87 GLY H H 1 8.14 . . 1 . . . . . . . . 4269 1 1008 . 1 1 87 87 GLY CA C 13 46.9 . . 1 . . . . . . . . 4269 1 1009 . 1 1 87 87 GLY HA2 H 1 4.10 . . 1 . . . . . . . . 4269 1 1010 . 1 1 87 87 GLY HA3 H 1 4.10 . . 1 . . . . . . . . 4269 1 1011 . 1 1 87 87 GLY C C 13 175.9 . . 1 . . . . . . . . 4269 1 1012 . 1 1 88 88 VAL N N 15 124.9 . . 1 . . . . . . . . 4269 1 1013 . 1 1 88 88 VAL H H 1 8.19 . . 1 . . . . . . . . 4269 1 1014 . 1 1 88 88 VAL CA C 13 61.4 . . 1 . . . . . . . . 4269 1 1015 . 1 1 88 88 VAL HA H 1 4.59 . . 1 . . . . . . . . 4269 1 1016 . 1 1 88 88 VAL CB C 13 33.9 . . 1 . . . . . . . . 4269 1 1017 . 1 1 88 88 VAL HB H 1 2.04 . . 1 . . . . . . . . 4269 1 1018 . 1 1 88 88 VAL HG11 H 1 0.64 . . 2 . . . . . . . . 4269 1 1019 . 1 1 88 88 VAL HG12 H 1 0.64 . . 2 . . . . . . . . 4269 1 1020 . 1 1 88 88 VAL HG13 H 1 0.64 . . 2 . . . . . . . . 4269 1 1021 . 1 1 88 88 VAL HG21 H 1 0.87 . . 2 . . . . . . . . 4269 1 1022 . 1 1 88 88 VAL HG22 H 1 0.87 . . 2 . . . . . . . . 4269 1 1023 . 1 1 88 88 VAL HG23 H 1 0.87 . . 2 . . . . . . . . 4269 1 1024 . 1 1 88 88 VAL CG1 C 13 20.7 . . 1 . . . . . . . . 4269 1 1025 . 1 1 88 88 VAL CG2 C 13 21.3 . . 1 . . . . . . . . 4269 1 1026 . 1 1 88 88 VAL C C 13 175.3 . . 1 . . . . . . . . 4269 1 1027 . 1 1 89 89 SER N N 15 122.2 . . 1 . . . . . . . . 4269 1 1028 . 1 1 89 89 SER H H 1 7.94 . . 1 . . . . . . . . 4269 1 1029 . 1 1 89 89 SER CA C 13 57.9 . . 1 . . . . . . . . 4269 1 1030 . 1 1 89 89 SER HA H 1 4.76 . . 1 . . . . . . . . 4269 1 1031 . 1 1 89 89 SER CB C 13 65.2 . . 1 . . . . . . . . 4269 1 1032 . 1 1 89 89 SER HB2 H 1 3.90 . . 1 . . . . . . . . 4269 1 1033 . 1 1 89 89 SER HB3 H 1 3.90 . . 1 . . . . . . . . 4269 1 1034 . 1 1 89 89 SER C C 13 174.9 . . 1 . . . . . . . . 4269 1 1035 . 1 1 90 90 ILE N N 15 124.3 . . 1 . . . . . . . . 4269 1 1036 . 1 1 90 90 ILE H H 1 8.24 . . 1 . . . . . . . . 4269 1 1037 . 1 1 90 90 ILE CA C 13 59.1 . . 1 . . . . . . . . 4269 1 1038 . 1 1 90 90 ILE HA H 1 5.14 . . 1 . . . . . . . . 4269 1 1039 . 1 1 90 90 ILE CB C 13 38.7 . . 1 . . . . . . . . 4269 1 1040 . 1 1 90 90 ILE HB H 1 1.75 . . 1 . . . . . . . . 4269 1 1041 . 1 1 90 90 ILE HG21 H 1 0.52 . . 1 . . . . . . . . 4269 1 1042 . 1 1 90 90 ILE HG22 H 1 0.52 . . 1 . . . . . . . . 4269 1 1043 . 1 1 90 90 ILE HG23 H 1 0.52 . . 1 . . . . . . . . 4269 1 1044 . 1 1 90 90 ILE CG2 C 13 18.0 . . 1 . . . . . . . . 4269 1 1045 . 1 1 90 90 ILE CG1 C 13 28.7 . . 1 . . . . . . . . 4269 1 1046 . 1 1 90 90 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4269 1 1047 . 1 1 90 90 ILE HG13 H 1 1.44 . . 2 . . . . . . . . 4269 1 1048 . 1 1 90 90 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 4269 1 1049 . 1 1 90 90 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 4269 1 1050 . 1 1 90 90 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 4269 1 1051 . 1 1 90 90 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4269 1 1052 . 1 1 90 90 ILE C C 13 172.2 . . 1 . . . . . . . . 4269 1 1053 . 1 1 91 91 ARG N N 15 128.0 . . 1 . . . . . . . . 4269 1 1054 . 1 1 91 91 ARG H H 1 8.94 . . 1 . . . . . . . . 4269 1 1055 . 1 1 91 91 ARG CA C 13 54.0 . . 1 . . . . . . . . 4269 1 1056 . 1 1 91 91 ARG HA H 1 4.69 . . 1 . . . . . . . . 4269 1 1057 . 1 1 91 91 ARG CB C 13 33.9 . . 1 . . . . . . . . 4269 1 1058 . 1 1 91 91 ARG HB2 H 1 1.58 . . 2 . . . . . . . . 4269 1 1059 . 1 1 91 91 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4269 1 1060 . 1 1 91 91 ARG CG C 13 27.4 . . 1 . . . . . . . . 4269 1 1061 . 1 1 91 91 ARG HG2 H 1 1.56 . . 2 . . . . . . . . 4269 1 1062 . 1 1 91 91 ARG HG3 H 1 1.62 . . 2 . . . . . . . . 4269 1 1063 . 1 1 91 91 ARG CD C 13 44.0 . . 1 . . . . . . . . 4269 1 1064 . 1 1 91 91 ARG HD2 H 1 3.18 . . 2 . . . . . . . . 4269 1 1065 . 1 1 91 91 ARG HD3 H 1 3.29 . . 2 . . . . . . . . 4269 1 1066 . 1 1 91 91 ARG NE N 15 85.1 . . 1 . . . . . . . . 4269 1 1067 . 1 1 91 91 ARG HE H 1 7.32 . . 1 . . . . . . . . 4269 1 1068 . 1 1 91 91 ARG C C 13 175.6 . . 1 . . . . . . . . 4269 1 1069 . 1 1 92 92 PHE N N 15 120.7 . . 1 . . . . . . . . 4269 1 1070 . 1 1 92 92 PHE H H 1 8.61 . . 1 . . . . . . . . 4269 1 1071 . 1 1 92 92 PHE CA C 13 56.7 . . 1 . . . . . . . . 4269 1 1072 . 1 1 92 92 PHE HA H 1 5.72 . . 1 . . . . . . . . 4269 1 1073 . 1 1 92 92 PHE CB C 13 40.3 . . 1 . . . . . . . . 4269 1 1074 . 1 1 92 92 PHE HB2 H 1 3.07 . . 1 . . . . . . . . 4269 1 1075 . 1 1 92 92 PHE HB3 H 1 3.18 . . 1 . . . . . . . . 4269 1 1076 . 1 1 92 92 PHE HD1 H 1 7.36 . . 1 . . . . . . . . 4269 1 1077 . 1 1 92 92 PHE HD2 H 1 7.36 . . 1 . . . . . . . . 4269 1 1078 . 1 1 92 92 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 4269 1 1079 . 1 1 92 92 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 4269 1 1080 . 1 1 92 92 PHE C C 13 173.8 . . 1 . . . . . . . . 4269 1 1081 . 1 1 93 93 ILE N N 15 121.5 . . 1 . . . . . . . . 4269 1 1082 . 1 1 93 93 ILE H H 1 8.74 . . 1 . . . . . . . . 4269 1 1083 . 1 1 93 93 ILE CA C 13 62.3 . . 1 . . . . . . . . 4269 1 1084 . 1 1 93 93 ILE HA H 1 4.27 . . 1 . . . . . . . . 4269 1 1085 . 1 1 93 93 ILE CB C 13 39.7 . . 1 . . . . . . . . 4269 1 1086 . 1 1 93 93 ILE HB H 1 2.12 . . 1 . . . . . . . . 4269 1 1087 . 1 1 93 93 ILE HG21 H 1 1.09 . . 1 . . . . . . . . 4269 1 1088 . 1 1 93 93 ILE HG22 H 1 1.09 . . 1 . . . . . . . . 4269 1 1089 . 1 1 93 93 ILE HG23 H 1 1.09 . . 1 . . . . . . . . 4269 1 1090 . 1 1 93 93 ILE CG2 C 13 18.4 . . 1 . . . . . . . . 4269 1 1091 . 1 1 93 93 ILE CG1 C 13 27.6 . . 1 . . . . . . . . 4269 1 1092 . 1 1 93 93 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4269 1 1093 . 1 1 93 93 ILE HG13 H 1 1.65 . . 2 . . . . . . . . 4269 1 1094 . 1 1 93 93 ILE HD11 H 1 0.91 . . 1 . . . . . . . . 4269 1 1095 . 1 1 93 93 ILE HD12 H 1 0.91 . . 1 . . . . . . . . 4269 1 1096 . 1 1 93 93 ILE HD13 H 1 0.91 . . 1 . . . . . . . . 4269 1 1097 . 1 1 93 93 ILE CD1 C 13 14.8 . . 1 . . . . . . . . 4269 1 1098 . 1 1 93 93 ILE C C 13 177.8 . . 1 . . . . . . . . 4269 1 1099 . 1 1 94 94 ASP N N 15 122.6 . . 1 . . . . . . . . 4269 1 1100 . 1 1 94 94 ASP H H 1 8.78 . . 1 . . . . . . . . 4269 1 1101 . 1 1 94 94 ASP CA C 13 54.7 . . 1 . . . . . . . . 4269 1 1102 . 1 1 94 94 ASP HA H 1 4.85 . . 1 . . . . . . . . 4269 1 1103 . 1 1 94 94 ASP CB C 13 41.9 . . 1 . . . . . . . . 4269 1 1104 . 1 1 94 94 ASP HB2 H 1 2.98 . . 2 . . . . . . . . 4269 1 1105 . 1 1 94 94 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4269 1 1106 . 1 1 94 94 ASP C C 13 176.3 . . 1 . . . . . . . . 4269 1 1107 . 1 1 95 95 ASP N N 15 120.5 . . 1 . . . . . . . . 4269 1 1108 . 1 1 95 95 ASP H H 1 8.31 . . 1 . . . . . . . . 4269 1 1109 . 1 1 95 95 ASP CA C 13 55.0 . . 1 . . . . . . . . 4269 1 1110 . 1 1 95 95 ASP HA H 1 4.76 . . 1 . . . . . . . . 4269 1 1111 . 1 1 95 95 ASP CB C 13 41.5 . . 1 . . . . . . . . 4269 1 1112 . 1 1 95 95 ASP HB2 H 1 2.89 . . 1 . . . . . . . . 4269 1 1113 . 1 1 95 95 ASP HB3 H 1 2.89 . . 1 . . . . . . . . 4269 1 1114 . 1 1 95 95 ASP C C 13 175.9 . . 1 . . . . . . . . 4269 1 1115 . 1 1 96 96 GLY N N 15 109.1 . . 1 . . . . . . . . 4269 1 1116 . 1 1 96 96 GLY H H 1 8.46 . . 1 . . . . . . . . 4269 1 1117 . 1 1 96 96 GLY CA C 13 45.8 . . 1 . . . . . . . . 4269 1 1118 . 1 1 96 96 GLY HA2 H 1 4.08 . . 1 . . . . . . . . 4269 1 1119 . 1 1 96 96 GLY HA3 H 1 4.08 . . 1 . . . . . . . . 4269 1 1120 . 1 1 96 96 GLY C C 13 177.0 . . 1 . . . . . . . . 4269 1 1121 . 1 1 97 97 ILE N N 15 120.0 . . 1 . . . . . . . . 4269 1 1122 . 1 1 97 97 ILE H H 1 8.06 . . 1 . . . . . . . . 4269 1 1123 . 1 1 97 97 ILE CA C 13 61.1 . . 1 . . . . . . . . 4269 1 1124 . 1 1 97 97 ILE HA H 1 4.40 . . 1 . . . . . . . . 4269 1 1125 . 1 1 97 97 ILE CB C 13 39.3 . . 1 . . . . . . . . 4269 1 1126 . 1 1 97 97 ILE HB H 1 2.04 . . 1 . . . . . . . . 4269 1 1127 . 1 1 97 97 ILE HG21 H 1 1.04 . . 1 . . . . . . . . 4269 1 1128 . 1 1 97 97 ILE HG22 H 1 1.04 . . 1 . . . . . . . . 4269 1 1129 . 1 1 97 97 ILE HG23 H 1 1.04 . . 1 . . . . . . . . 4269 1 1130 . 1 1 97 97 ILE CG2 C 13 18.1 . . 1 . . . . . . . . 4269 1 1131 . 1 1 97 97 ILE CG1 C 13 27.6 . . 1 . . . . . . . . 4269 1 1132 . 1 1 97 97 ILE HG12 H 1 1.30 . . 2 . . . . . . . . 4269 1 1133 . 1 1 97 97 ILE HG13 H 1 1.59 . . 2 . . . . . . . . 4269 1 1134 . 1 1 97 97 ILE HD11 H 1 0.98 . . 1 . . . . . . . . 4269 1 1135 . 1 1 97 97 ILE HD12 H 1 0.98 . . 1 . . . . . . . . 4269 1 1136 . 1 1 97 97 ILE HD13 H 1 0.98 . . 1 . . . . . . . . 4269 1 1137 . 1 1 97 97 ILE CD1 C 13 13.5 . . 1 . . . . . . . . 4269 1 1138 . 1 1 97 97 ILE C C 13 174.3 . . 1 . . . . . . . . 4269 1 1139 . 1 1 98 98 SER N N 15 120.2 . . 1 . . . . . . . . 4269 1 1140 . 1 1 98 98 SER H H 1 8.58 . . 1 . . . . . . . . 4269 1 1141 . 1 1 98 98 SER CA C 13 58.2 . . 1 . . . . . . . . 4269 1 1142 . 1 1 98 98 SER HA H 1 4.76 . . 1 . . . . . . . . 4269 1 1143 . 1 1 98 98 SER CB C 13 64.2 . . 1 . . . . . . . . 4269 1 1144 . 1 1 98 98 SER HB2 H 1 4.05 . . 1 . . . . . . . . 4269 1 1145 . 1 1 98 98 SER HB3 H 1 4.05 . . 1 . . . . . . . . 4269 1 1146 . 1 1 98 98 SER C C 13 176.4 . . 1 . . . . . . . . 4269 1 1147 . 1 1 99 99 THR N N 15 116.0 . . 1 . . . . . . . . 4269 1 1148 . 1 1 99 99 THR H H 1 8.41 . . 1 . . . . . . . . 4269 1 1149 . 1 1 99 99 THR CA C 13 61.9 . . 1 . . . . . . . . 4269 1 1150 . 1 1 99 99 THR HA H 1 4.54 . . 1 . . . . . . . . 4269 1 1151 . 1 1 99 99 THR CB C 13 69.8 . . 1 . . . . . . . . 4269 1 1152 . 1 1 99 99 THR HB H 1 4.46 . . 1 . . . . . . . . 4269 1 1153 . 1 1 99 99 THR HG21 H 1 1.34 . . 1 . . . . . . . . 4269 1 1154 . 1 1 99 99 THR HG22 H 1 1.34 . . 1 . . . . . . . . 4269 1 1155 . 1 1 99 99 THR HG23 H 1 1.34 . . 1 . . . . . . . . 4269 1 1156 . 1 1 99 99 THR CG2 C 13 22.0 . . 1 . . . . . . . . 4269 1 1157 . 1 1 99 99 THR C C 13 175.1 . . 1 . . . . . . . . 4269 1 1158 . 1 1 100 100 ASP N N 15 122.5 . . 1 . . . . . . . . 4269 1 1159 . 1 1 100 100 ASP H H 1 8.41 . . 1 . . . . . . . . 4269 1 1160 . 1 1 100 100 ASP CA C 13 54.8 . . 1 . . . . . . . . 4269 1 1161 . 1 1 100 100 ASP HA H 1 4.74 . . 1 . . . . . . . . 4269 1 1162 . 1 1 100 100 ASP CB C 13 41.6 . . 1 . . . . . . . . 4269 1 1163 . 1 1 100 100 ASP HB2 H 1 2.85 . . 1 . . . . . . . . 4269 1 1164 . 1 1 100 100 ASP HB3 H 1 2.85 . . 1 . . . . . . . . 4269 1 1165 . 1 1 100 100 ASP C C 13 174.6 . . 1 . . . . . . . . 4269 1 1166 . 1 1 101 101 GLY N N 15 109.4 . . 1 . . . . . . . . 4269 1 1167 . 1 1 101 101 GLY H H 1 8.39 . . 1 . . . . . . . . 4269 1 1168 . 1 1 101 101 GLY CA C 13 45.7 . . 1 . . . . . . . . 4269 1 1169 . 1 1 101 101 GLY HA2 H 1 4.08 . . 1 . . . . . . . . 4269 1 1170 . 1 1 101 101 GLY HA3 H 1 4.08 . . 1 . . . . . . . . 4269 1 1171 . 1 1 101 101 GLY C C 13 176.9 . . 1 . . . . . . . . 4269 1 1172 . 1 1 102 102 GLU N N 15 120.7 . . 1 . . . . . . . . 4269 1 1173 . 1 1 102 102 GLU H H 1 8.34 . . 1 . . . . . . . . 4269 1 1174 . 1 1 102 102 GLU CA C 13 56.8 . . 1 . . . . . . . . 4269 1 1175 . 1 1 102 102 GLU HA H 1 4.45 . . 1 . . . . . . . . 4269 1 1176 . 1 1 102 102 GLU CB C 13 30.5 . . 1 . . . . . . . . 4269 1 1177 . 1 1 102 102 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4269 1 1178 . 1 1 102 102 GLU HB3 H 1 2.23 . . 2 . . . . . . . . 4269 1 1179 . 1 1 102 102 GLU CG C 13 36.5 . . 1 . . . . . . . . 4269 1 1180 . 1 1 102 102 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4269 1 1181 . 1 1 102 102 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4269 1 1182 . 1 1 102 102 GLU C C 13 174.5 . . 1 . . . . . . . . 4269 1 1183 . 1 1 103 103 MET N N 15 121.1 . . 1 . . . . . . . . 4269 1 1184 . 1 1 103 103 MET H H 1 8.48 . . 1 . . . . . . . . 4269 1 1185 . 1 1 103 103 MET CA C 13 56.0 . . 1 . . . . . . . . 4269 1 1186 . 1 1 103 103 MET HA H 1 4.62 . . 1 . . . . . . . . 4269 1 1187 . 1 1 103 103 MET CB C 13 33.1 . . 1 . . . . . . . . 4269 1 1188 . 1 1 103 103 MET HB2 H 1 2.19 . . 2 . . . . . . . . 4269 1 1189 . 1 1 103 103 MET HB3 H 1 2.27 . . 2 . . . . . . . . 4269 1 1190 . 1 1 103 103 MET CG C 13 32.4 . . 1 . . . . . . . . 4269 1 1191 . 1 1 103 103 MET HG2 H 1 2.70 . . 2 . . . . . . . . 4269 1 1192 . 1 1 103 103 MET HG3 H 1 2.79 . . 2 . . . . . . . . 4269 1 1193 . 1 1 103 103 MET C C 13 176.9 . . 1 . . . . . . . . 4269 1 1194 . 1 1 104 104 GLY N N 15 110.7 . . 1 . . . . . . . . 4269 1 1195 . 1 1 104 104 GLY H H 1 8.50 . . 1 . . . . . . . . 4269 1 1196 . 1 1 104 104 GLY CA C 13 45.7 . . 1 . . . . . . . . 4269 1 1197 . 1 1 104 104 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 4269 1 1198 . 1 1 104 104 GLY HA3 H 1 4.09 . . 1 . . . . . . . . 4269 1 1199 . 1 1 104 104 GLY C C 13 176.9 . . 1 . . . . . . . . 4269 1 1200 . 1 1 105 105 LYS N N 15 126.1 . . 1 . . . . . . . . 4269 1 1201 . 1 1 105 105 LYS H H 1 7.84 . . 1 . . . . . . . . 4269 1 1202 . 1 1 105 105 LYS CA C 13 57.8 . . 1 . . . . . . . . 4269 1 1203 . 1 1 105 105 LYS HA H 1 4.31 . . 1 . . . . . . . . 4269 1 1204 . 1 1 105 105 LYS CB C 13 34.0 . . 1 . . . . . . . . 4269 1 1205 . 1 1 105 105 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4269 1 1206 . 1 1 105 105 LYS HB3 H 1 2.02 . . 2 . . . . . . . . 4269 1 1207 . 1 1 105 105 LYS CG C 13 25.2 . . 1 . . . . . . . . 4269 1 1208 . 1 1 105 105 LYS HG2 H 1 1.50 . . 1 . . . . . . . . 4269 1 1209 . 1 1 105 105 LYS HG3 H 1 1.50 . . 1 . . . . . . . . 4269 1 1210 . 1 1 105 105 LYS CD C 13 29.4 . . 1 . . . . . . . . 4269 1 1211 . 1 1 105 105 LYS HD2 H 1 1.81 . . 1 . . . . . . . . 4269 1 1212 . 1 1 105 105 LYS HD3 H 1 1.81 . . 1 . . . . . . . . 4269 1 1213 . 1 1 105 105 LYS CE C 13 42.5 . . 1 . . . . . . . . 4269 1 1214 . 1 1 105 105 LYS HE2 H 1 3.13 . . 1 . . . . . . . . 4269 1 1215 . 1 1 105 105 LYS HE3 H 1 3.13 . . 1 . . . . . . . . 4269 1 1216 . 1 1 105 105 LYS C C 13 173.4 . . 1 . . . . . . . . 4269 1 stop_ save_