data_6208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6208 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Diacylglycerol kinase alpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-05-19 _Entry.Accession_date 2004-05-20 _Entry.Last_release_date 2006-01-11 _Entry.Original_release_date 2006-01-11 _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 Gaohua Liu . . . 6208 2 Ying Shao . . . 6208 3 Rong Xiao . . . 6208 4 Thomas Acton . . . 6208 5 Gaetano Montelione . T. . 6208 6 Thomas Szyperski . . . 6208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6208 coupling_constants 1 6208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 849 6208 '13C chemical shifts' 401 6208 '15N chemical shifts' 126 6208 'coupling constants' 36 6208 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 . . 2006-01-11 2004-05-19 original author . 6208 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 13C and 15N Assigned Chemical Shifts for Diacylglycerol kinase alpha' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Gaohua Liu . . . 6208 1 2 Ying Shao . . . 6208 1 3 Rong Xiao . . . 6208 1 4 Thomas Acton . . . 6208 1 5 Gaetano Montelione . T. . 6208 1 6 Thomas Szyperski . . . 6208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6208 _Assembly.ID 1 _Assembly.Name 'hr532 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 6208 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 'Diacylglycerol kinase alpha' 1 $chem_comp . . . native . . . . . 6208 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hr532 monomer' system 6208 1 'hr532 monomer' abbreviation 6208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_chem_comp _Entity.Sf_category entity _Entity.Sf_framecode chem_comp _Entity.Entry_ID 6208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ca.CD2 _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 ; MAKERGLISPSDFAQLQKYM EYSTKKVSDVLKLFEDGEMA KYVQGDAIGYEGFQQFLKIY LEVDNVPRHLSLALFQSFET GHCLNETNVTKDVVCLNDVS CYFSLLEGGRPEDKLEWS ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TUZ . "Nmr Structure Of The Diacylglycerol Kinase Alpha, Nesgc Target Hr532" . . . . . 100.00 118 100.00 100.00 3.61e-81 . . . . 6208 1 2 no DBJ BAG64388 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 372 98.31 100.00 9.96e-76 . . . . 6208 1 3 no DBJ BAI45990 . "diacylglycerol kinase, alpha 80kDa [synthetic construct]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 4 no EMBL CAA44396 . "diacylglycerol kinase [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 2.01e-72 . . . . 6208 1 5 no EMBL CAH90948 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 736 97.46 100.00 1.26e-71 . . . . 6208 1 6 no GB AAC34804 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 567 98.31 100.00 2.29e-73 . . . . 6208 1 7 no GB AAC34806 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 3.61e-81 . . . . 6208 1 8 no GB AAH23523 . "Diacylglycerol kinase, alpha 80kDa [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 9 no GB AAH31870 . "DGKA protein [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 2.30e-72 . . . . 6208 1 10 no GB AAQ02567 . "diacylglycerol kinase, alpha 80kDa, partial [synthetic construct]" . . . . . 100.00 736 98.31 100.00 2.21e-72 . . . . 6208 1 11 no PRF 1702222A . "diacylglycerol kinase" . . . . . 100.00 735 98.31 100.00 2.01e-72 . . . . 6208 1 12 no REF NP_001125544 . "diacylglycerol kinase alpha [Pongo abelii]" . . . . . 100.00 735 97.46 100.00 1.34e-71 . . . . 6208 1 13 no REF NP_001336 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 14 no REF NP_958852 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 15 no REF NP_958853 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 16 no REF NP_963848 . "diacylglycerol kinase alpha [Homo sapiens]" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 17 no SP P23743 . "RecName: Full=Diacylglycerol kinase alpha; Short=DAG kinase alpha; AltName: Full=80 kDa diacylglycerol kinase; AltName: Full=Di" . . . . . 100.00 735 98.31 100.00 1.99e-72 . . . . 6208 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Ca.CD2 common 6208 1 Ca.CD2 variant 6208 1 Ca.CD2 abbreviation 6208 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 . 6208 1 2 . ALA . 6208 1 3 . LYS . 6208 1 4 . GLU . 6208 1 5 . ARG . 6208 1 6 . GLY . 6208 1 7 . LEU . 6208 1 8 . ILE . 6208 1 9 . SER . 6208 1 10 . PRO . 6208 1 11 . SER . 6208 1 12 . ASP . 6208 1 13 . PHE . 6208 1 14 . ALA . 6208 1 15 . GLN . 6208 1 16 . LEU . 6208 1 17 . GLN . 6208 1 18 . LYS . 6208 1 19 . TYR . 6208 1 20 . MET . 6208 1 21 . GLU . 6208 1 22 . TYR . 6208 1 23 . SER . 6208 1 24 . THR . 6208 1 25 . LYS . 6208 1 26 . LYS . 6208 1 27 . VAL . 6208 1 28 . SER . 6208 1 29 . ASP . 6208 1 30 . VAL . 6208 1 31 . LEU . 6208 1 32 . LYS . 6208 1 33 . LEU . 6208 1 34 . PHE . 6208 1 35 . GLU . 6208 1 36 . ASP . 6208 1 37 . GLY . 6208 1 38 . GLU . 6208 1 39 . MET . 6208 1 40 . ALA . 6208 1 41 . LYS . 6208 1 42 . TYR . 6208 1 43 . VAL . 6208 1 44 . GLN . 6208 1 45 . GLY . 6208 1 46 . ASP . 6208 1 47 . ALA . 6208 1 48 . ILE . 6208 1 49 . GLY . 6208 1 50 . TYR . 6208 1 51 . GLU . 6208 1 52 . GLY . 6208 1 53 . PHE . 6208 1 54 . GLN . 6208 1 55 . GLN . 6208 1 56 . PHE . 6208 1 57 . LEU . 6208 1 58 . LYS . 6208 1 59 . ILE . 6208 1 60 . TYR . 6208 1 61 . LEU . 6208 1 62 . GLU . 6208 1 63 . VAL . 6208 1 64 . ASP . 6208 1 65 . ASN . 6208 1 66 . VAL . 6208 1 67 . PRO . 6208 1 68 . ARG . 6208 1 69 . HIS . 6208 1 70 . LEU . 6208 1 71 . SER . 6208 1 72 . LEU . 6208 1 73 . ALA . 6208 1 74 . LEU . 6208 1 75 . PHE . 6208 1 76 . GLN . 6208 1 77 . SER . 6208 1 78 . PHE . 6208 1 79 . GLU . 6208 1 80 . THR . 6208 1 81 . GLY . 6208 1 82 . HIS . 6208 1 83 . CYS . 6208 1 84 . LEU . 6208 1 85 . ASN . 6208 1 86 . GLU . 6208 1 87 . THR . 6208 1 88 . ASN . 6208 1 89 . VAL . 6208 1 90 . THR . 6208 1 91 . LYS . 6208 1 92 . ASP . 6208 1 93 . VAL . 6208 1 94 . VAL . 6208 1 95 . CYS . 6208 1 96 . LEU . 6208 1 97 . ASN . 6208 1 98 . ASP . 6208 1 99 . VAL . 6208 1 100 . SER . 6208 1 101 . CYS . 6208 1 102 . TYR . 6208 1 103 . PHE . 6208 1 104 . SER . 6208 1 105 . LEU . 6208 1 106 . LEU . 6208 1 107 . GLU . 6208 1 108 . GLY . 6208 1 109 . GLY . 6208 1 110 . ARG . 6208 1 111 . PRO . 6208 1 112 . GLU . 6208 1 113 . ASP . 6208 1 114 . LYS . 6208 1 115 . LEU . 6208 1 116 . GLU . 6208 1 117 . TRP . 6208 1 118 . SER . 6208 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 6208 1 . ALA 2 2 6208 1 . LYS 3 3 6208 1 . GLU 4 4 6208 1 . ARG 5 5 6208 1 . GLY 6 6 6208 1 . LEU 7 7 6208 1 . ILE 8 8 6208 1 . SER 9 9 6208 1 . PRO 10 10 6208 1 . SER 11 11 6208 1 . ASP 12 12 6208 1 . PHE 13 13 6208 1 . ALA 14 14 6208 1 . GLN 15 15 6208 1 . LEU 16 16 6208 1 . GLN 17 17 6208 1 . LYS 18 18 6208 1 . TYR 19 19 6208 1 . MET 20 20 6208 1 . GLU 21 21 6208 1 . TYR 22 22 6208 1 . SER 23 23 6208 1 . THR 24 24 6208 1 . LYS 25 25 6208 1 . LYS 26 26 6208 1 . VAL 27 27 6208 1 . SER 28 28 6208 1 . ASP 29 29 6208 1 . VAL 30 30 6208 1 . LEU 31 31 6208 1 . LYS 32 32 6208 1 . LEU 33 33 6208 1 . PHE 34 34 6208 1 . GLU 35 35 6208 1 . ASP 36 36 6208 1 . GLY 37 37 6208 1 . GLU 38 38 6208 1 . MET 39 39 6208 1 . ALA 40 40 6208 1 . LYS 41 41 6208 1 . TYR 42 42 6208 1 . VAL 43 43 6208 1 . GLN 44 44 6208 1 . GLY 45 45 6208 1 . ASP 46 46 6208 1 . ALA 47 47 6208 1 . ILE 48 48 6208 1 . GLY 49 49 6208 1 . TYR 50 50 6208 1 . GLU 51 51 6208 1 . GLY 52 52 6208 1 . PHE 53 53 6208 1 . GLN 54 54 6208 1 . GLN 55 55 6208 1 . PHE 56 56 6208 1 . LEU 57 57 6208 1 . LYS 58 58 6208 1 . ILE 59 59 6208 1 . TYR 60 60 6208 1 . LEU 61 61 6208 1 . GLU 62 62 6208 1 . VAL 63 63 6208 1 . ASP 64 64 6208 1 . ASN 65 65 6208 1 . VAL 66 66 6208 1 . PRO 67 67 6208 1 . ARG 68 68 6208 1 . HIS 69 69 6208 1 . LEU 70 70 6208 1 . SER 71 71 6208 1 . LEU 72 72 6208 1 . ALA 73 73 6208 1 . LEU 74 74 6208 1 . PHE 75 75 6208 1 . GLN 76 76 6208 1 . SER 77 77 6208 1 . PHE 78 78 6208 1 . GLU 79 79 6208 1 . THR 80 80 6208 1 . GLY 81 81 6208 1 . HIS 82 82 6208 1 . CYS 83 83 6208 1 . LEU 84 84 6208 1 . ASN 85 85 6208 1 . GLU 86 86 6208 1 . THR 87 87 6208 1 . ASN 88 88 6208 1 . VAL 89 89 6208 1 . THR 90 90 6208 1 . LYS 91 91 6208 1 . ASP 92 92 6208 1 . VAL 93 93 6208 1 . VAL 94 94 6208 1 . CYS 95 95 6208 1 . LEU 96 96 6208 1 . ASN 97 97 6208 1 . ASP 98 98 6208 1 . VAL 99 99 6208 1 . SER 100 100 6208 1 . CYS 101 101 6208 1 . TYR 102 102 6208 1 . PHE 103 103 6208 1 . SER 104 104 6208 1 . LEU 105 105 6208 1 . LEU 106 106 6208 1 . GLU 107 107 6208 1 . GLY 108 108 6208 1 . GLY 109 109 6208 1 . ARG 110 110 6208 1 . PRO 111 111 6208 1 . GLU 112 112 6208 1 . ASP 113 113 6208 1 . LYS 114 114 6208 1 . LEU 115 115 6208 1 . GLU 116 116 6208 1 . TRP 117 117 6208 1 . SER 118 118 6208 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 6208 _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 $chem_comp . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6208 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 6208 _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 $chem_comp . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6208 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6208 _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 Ca.CD2 '[U-13C; U-15N]' . . 1 $chem_comp . . 1.1 . . mM . . . . 6208 1 2 DTT . . . . . . . 10 . . mM . . . . 6208 1 3 CaCl2 . . . . . . . 5 . . mM . . . . 6208 1 4 NaCl . . . . . . . 100 . . mM . . . . 6208 1 5 MES . . . . . . . 20 . . mM . . . . 6208 1 6 D2O . . . . . . . 5 . . % . . . . 6208 1 7 NaN3 . . . . . . . 0.02 . . % . . . . 6208 1 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6208 _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 pH 6208 1 temperature 298 . K 6208 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectro_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectro_1 _NMR_spectrometer.Entry_ID 6208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_sepctro_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode sepctro_2 _NMR_spectrometer.Entry_ID 6208 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6208 _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 spectro_1 BRUKER AVANCE . 600 . . . 6208 1 2 sepctro_2 BRUKER AVANCE . 800 . . . 6208 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 6208 _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 '15N 2D HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 2 '13C 2D HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 3 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 4 '3D HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 5 '3D HNCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 6 '3D HNcoCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 7 '3D RD HabCabcoNHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 8 '3D RD HCCHCOSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 1 9 '3D HCcHTOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . . . . . . . . . . . . . . . . . . . 6208 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 6208 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N 2D HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C 2D HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6208 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D RD HabCabcoNHN' _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 6208 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D RD HCCHCOSY' _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 6208 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCcHTOCSY' _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 6208 _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 external direct . . . . . . . . . . 6208 1 N 15 DSS . . . . . ppm . . . . . . . . . . . . . 6208 1 C 13 DSS . . . . . ppm . . . . . . . . . . . . . 6208 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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_1 . 6208 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 55.4 0.2 . 1 . . . . . . . . 6208 1 2 . 1 1 1 1 MET HA H 1 4.32 0.01 . 1 . . . . . . . . 6208 1 3 . 1 1 1 1 MET CB C 13 32.6 0.2 . 1 . . . . . . . . 6208 1 4 . 1 1 1 1 MET HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6208 1 5 . 1 1 1 1 MET HB3 H 1 1.98 0.01 . 2 . . . . . . . . 6208 1 6 . 1 1 1 1 MET CG C 13 31.8 0.2 . 1 . . . . . . . . 6208 1 7 . 1 1 1 1 MET HG2 H 1 2.31 0.01 . 2 . . . . . . . . 6208 1 8 . 1 1 1 1 MET HG3 H 1 2.39 0.01 . 2 . . . . . . . . 6208 1 9 . 1 1 1 1 MET HE1 H 1 1.95 0.01 . 1 . . . . . . . . 6208 1 10 . 1 1 1 1 MET HE2 H 1 1.95 0.01 . 1 . . . . . . . . 6208 1 11 . 1 1 1 1 MET HE3 H 1 1.95 0.01 . 1 . . . . . . . . 6208 1 12 . 1 1 1 1 MET CE C 13 16.7 0.2 . 1 . . . . . . . . 6208 1 13 . 1 1 2 2 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 6208 1 14 . 1 1 2 2 ALA H H 1 8.21 0.01 . 1 . . . . . . . . 6208 1 15 . 1 1 2 2 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 6208 1 16 . 1 1 2 2 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 6208 1 17 . 1 1 2 2 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 6208 1 18 . 1 1 2 2 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 6208 1 19 . 1 1 2 2 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 6208 1 20 . 1 1 2 2 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 6208 1 21 . 1 1 3 3 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 22 . 1 1 3 3 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 6208 1 23 . 1 1 3 3 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 6208 1 24 . 1 1 3 3 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 6208 1 25 . 1 1 3 3 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 6208 1 26 . 1 1 3 3 LYS HB2 H 1 1.68 0.01 . 2 . . . . . . . . 6208 1 27 . 1 1 3 3 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6208 1 28 . 1 1 3 3 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 6208 1 29 . 1 1 3 3 LYS HG2 H 1 1.33 0.01 . 1 . . . . . . . . 6208 1 30 . 1 1 3 3 LYS HG3 H 1 1.33 0.01 . 1 . . . . . . . . 6208 1 31 . 1 1 3 3 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 6208 1 32 . 1 1 3 3 LYS HD2 H 1 1.59 0.01 . 1 . . . . . . . . 6208 1 33 . 1 1 3 3 LYS HD3 H 1 1.59 0.01 . 1 . . . . . . . . 6208 1 34 . 1 1 3 3 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 35 . 1 1 3 3 LYS HE2 H 1 2.90 0.01 . 1 . . . . . . . . 6208 1 36 . 1 1 3 3 LYS HE3 H 1 2.90 0.01 . 1 . . . . . . . . 6208 1 37 . 1 1 4 4 GLU N N 15 120.9 0.2 . 1 . . . . . . . . 6208 1 38 . 1 1 4 4 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 6208 1 39 . 1 1 4 4 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 6208 1 40 . 1 1 4 4 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 6208 1 41 . 1 1 4 4 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6208 1 42 . 1 1 4 4 GLU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6208 1 43 . 1 1 4 4 GLU HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6208 1 44 . 1 1 4 4 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 6208 1 45 . 1 1 4 4 GLU HG2 H 1 2.17 0.01 . 1 . . . . . . . . 6208 1 46 . 1 1 4 4 GLU HG3 H 1 2.17 0.01 . 1 . . . . . . . . 6208 1 47 . 1 1 5 5 ARG N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 48 . 1 1 5 5 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 6208 1 49 . 1 1 5 5 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 6208 1 50 . 1 1 5 5 ARG HA H 1 4.09 0.01 . 1 . . . . . . . . 6208 1 51 . 1 1 5 5 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 6208 1 52 . 1 1 5 5 ARG HB2 H 1 1.62 0.01 . 2 . . . . . . . . 6208 1 53 . 1 1 5 5 ARG HB3 H 1 1.56 0.01 . 2 . . . . . . . . 6208 1 54 . 1 1 5 5 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 6208 1 55 . 1 1 5 5 ARG HG2 H 1 1.44 0.01 . 1 . . . . . . . . 6208 1 56 . 1 1 5 5 ARG HG3 H 1 1.44 0.01 . 1 . . . . . . . . 6208 1 57 . 1 1 5 5 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 6208 1 58 . 1 1 5 5 ARG HD2 H 1 2.99 0.01 . 1 . . . . . . . . 6208 1 59 . 1 1 5 5 ARG HD3 H 1 2.99 0.01 . 1 . . . . . . . . 6208 1 60 . 1 1 5 5 ARG NE N 15 84.4 0.2 . 1 . . . . . . . . 6208 1 61 . 1 1 5 5 ARG HE H 1 7.12 0.01 . 1 . . . . . . . . 6208 1 62 . 1 1 6 6 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 6208 1 63 . 1 1 6 6 GLY H H 1 8.13 0.01 . 1 . . . . . . . . 6208 1 64 . 1 1 6 6 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6208 1 65 . 1 1 6 6 GLY HA2 H 1 3.68 0.01 . 2 . . . . . . . . 6208 1 66 . 1 1 6 6 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 6208 1 67 . 1 1 7 7 LEU N N 15 120.6 0.2 . 1 . . . . . . . . 6208 1 68 . 1 1 7 7 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 6208 1 69 . 1 1 7 7 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 6208 1 70 . 1 1 7 7 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6208 1 71 . 1 1 7 7 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 6208 1 72 . 1 1 7 7 LEU HB2 H 1 1.44 0.01 . 2 . . . . . . . . 6208 1 73 . 1 1 7 7 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 6208 1 74 . 1 1 7 7 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 6208 1 75 . 1 1 7 7 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 76 . 1 1 7 7 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 77 . 1 1 7 7 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 78 . 1 1 7 7 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 6208 1 79 . 1 1 7 7 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 6208 1 80 . 1 1 7 7 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 6208 1 81 . 1 1 7 7 LEU CD1 C 13 23.0 0.2 . 1 . . . . . . . . 6208 1 82 . 1 1 7 7 LEU CD2 C 13 24.8 0.2 . 1 . . . . . . . . 6208 1 83 . 1 1 8 8 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 6208 1 84 . 1 1 8 8 ILE H H 1 7.77 0.01 . 1 . . . . . . . . 6208 1 85 . 1 1 8 8 ILE CA C 13 59.8 0.2 . 1 . . . . . . . . 6208 1 86 . 1 1 8 8 ILE HA H 1 4.38 0.01 . 1 . . . . . . . . 6208 1 87 . 1 1 8 8 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 6208 1 88 . 1 1 8 8 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 6208 1 89 . 1 1 8 8 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 6208 1 90 . 1 1 8 8 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 6208 1 91 . 1 1 8 8 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 6208 1 92 . 1 1 8 8 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 6208 1 93 . 1 1 8 8 ILE CG1 C 13 26.2 0.2 . 1 . . . . . . . . 6208 1 94 . 1 1 8 8 ILE HG12 H 1 1.48 0.01 . 2 . . . . . . . . 6208 1 95 . 1 1 8 8 ILE HG13 H 1 1.10 0.01 . 2 . . . . . . . . 6208 1 96 . 1 1 8 8 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 6208 1 97 . 1 1 8 8 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 6208 1 98 . 1 1 8 8 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 6208 1 99 . 1 1 8 8 ILE CD1 C 13 13.1 0.2 . 1 . . . . . . . . 6208 1 100 . 1 1 9 9 SER N N 15 123.6 0.2 . 1 . . . . . . . . 6208 1 101 . 1 1 9 9 SER H H 1 9.67 0.01 . 1 . . . . . . . . 6208 1 102 . 1 1 9 9 SER CA C 13 56.8 0.2 . 1 . . . . . . . . 6208 1 103 . 1 1 9 9 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 6208 1 104 . 1 1 9 9 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 6208 1 105 . 1 1 9 9 SER HB2 H 1 4.06 0.01 . 1 . . . . . . . . 6208 1 106 . 1 1 9 9 SER HB3 H 1 4.06 0.01 . 1 . . . . . . . . 6208 1 107 . 1 1 10 10 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 6208 1 108 . 1 1 10 10 PRO CA C 13 65.8 0.2 . 1 . . . . . . . . 6208 1 109 . 1 1 10 10 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 6208 1 110 . 1 1 10 10 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 6208 1 111 . 1 1 10 10 PRO HB2 H 1 1.97 0.01 . 1 . . . . . . . . 6208 1 112 . 1 1 10 10 PRO HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6208 1 113 . 1 1 10 10 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 6208 1 114 . 1 1 10 10 PRO HG2 H 1 2.19 0.01 . 1 . . . . . . . . 6208 1 115 . 1 1 10 10 PRO HG3 H 1 2.19 0.01 . 1 . . . . . . . . 6208 1 116 . 1 1 10 10 PRO HD2 H 1 3.90 0.01 . 1 . . . . . . . . 6208 1 117 . 1 1 10 10 PRO HD3 H 1 3.90 0.01 . 1 . . . . . . . . 6208 1 118 . 1 1 11 11 SER N N 15 112.6 0.2 . 1 . . . . . . . . 6208 1 119 . 1 1 11 11 SER H H 1 8.30 0.01 . 1 . . . . . . . . 6208 1 120 . 1 1 11 11 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 6208 1 121 . 1 1 11 11 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 6208 1 122 . 1 1 11 11 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 6208 1 123 . 1 1 11 11 SER HB2 H 1 3.83 0.01 . 2 . . . . . . . . 6208 1 124 . 1 1 11 11 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . 6208 1 125 . 1 1 12 12 ASP N N 15 125.0 0.2 . 1 . . . . . . . . 6208 1 126 . 1 1 12 12 ASP H H 1 7.83 0.01 . 1 . . . . . . . . 6208 1 127 . 1 1 12 12 ASP CA C 13 57.3 0.2 . 1 . . . . . . . . 6208 1 128 . 1 1 12 12 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 6208 1 129 . 1 1 12 12 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 6208 1 130 . 1 1 12 12 ASP HB2 H 1 2.44 0.01 . 2 . . . . . . . . 6208 1 131 . 1 1 12 12 ASP HB3 H 1 2.93 0.01 . 2 . . . . . . . . 6208 1 132 . 1 1 13 13 PHE N N 15 121.1 0.2 . 1 . . . . . . . . 6208 1 133 . 1 1 13 13 PHE H H 1 8.96 0.01 . 1 . . . . . . . . 6208 1 134 . 1 1 13 13 PHE CA C 13 61.7 0.2 . 1 . . . . . . . . 6208 1 135 . 1 1 13 13 PHE HA H 1 4.12 0.01 . 1 . . . . . . . . 6208 1 136 . 1 1 13 13 PHE CB C 13 39.1 0.2 . 1 . . . . . . . . 6208 1 137 . 1 1 13 13 PHE HB2 H 1 3.06 0.01 . 1 . . . . . . . . 6208 1 138 . 1 1 13 13 PHE HB3 H 1 3.06 0.01 . 1 . . . . . . . . 6208 1 139 . 1 1 13 13 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 140 . 1 1 13 13 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 141 . 1 1 13 13 PHE HE1 H 1 7.05 0.01 . 1 . . . . . . . . 6208 1 142 . 1 1 13 13 PHE HE2 H 1 7.05 0.01 . 1 . . . . . . . . 6208 1 143 . 1 1 13 13 PHE CD1 C 13 132.8 0.2 . 1 . . . . . . . . 6208 1 144 . 1 1 13 13 PHE CE1 C 13 131.6 0.2 . 1 . . . . . . . . 6208 1 145 . 1 1 14 14 ALA N N 15 120.2 0.2 . 1 . . . . . . . . 6208 1 146 . 1 1 14 14 ALA H H 1 8.24 0.01 . 1 . . . . . . . . 6208 1 147 . 1 1 14 14 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 6208 1 148 . 1 1 14 14 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 6208 1 149 . 1 1 14 14 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 6208 1 150 . 1 1 14 14 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 6208 1 151 . 1 1 14 14 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 6208 1 152 . 1 1 14 14 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 6208 1 153 . 1 1 15 15 GLN N N 15 118.4 0.2 . 1 . . . . . . . . 6208 1 154 . 1 1 15 15 GLN H H 1 7.69 0.01 . 1 . . . . . . . . 6208 1 155 . 1 1 15 15 GLN CA C 13 58.6 0.2 . 1 . . . . . . . . 6208 1 156 . 1 1 15 15 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 6208 1 157 . 1 1 15 15 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 6208 1 158 . 1 1 15 15 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 6208 1 159 . 1 1 15 15 GLN HB3 H 1 2.27 0.01 . 2 . . . . . . . . 6208 1 160 . 1 1 15 15 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 6208 1 161 . 1 1 15 15 GLN HG2 H 1 2.32 0.01 . 2 . . . . . . . . 6208 1 162 . 1 1 15 15 GLN HG3 H 1 2.37 0.01 . 2 . . . . . . . . 6208 1 163 . 1 1 15 15 GLN NE2 N 15 111.5 0.2 . 1 . . . . . . . . 6208 1 164 . 1 1 15 15 GLN HE21 H 1 6.88 0.01 . 2 . . . . . . . . 6208 1 165 . 1 1 15 15 GLN HE22 H 1 6.79 0.01 . 2 . . . . . . . . 6208 1 166 . 1 1 16 16 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 167 . 1 1 16 16 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 6208 1 168 . 1 1 16 16 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 6208 1 169 . 1 1 16 16 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 6208 1 170 . 1 1 16 16 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 6208 1 171 . 1 1 16 16 LEU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 6208 1 172 . 1 1 16 16 LEU HB3 H 1 1.61 0.01 . 2 . . . . . . . . 6208 1 173 . 1 1 16 16 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 6208 1 174 . 1 1 16 16 LEU HG H 1 1.70 0.01 . 1 . . . . . . . . 6208 1 175 . 1 1 16 16 LEU HD11 H 1 1.22 0.01 . 2 . . . . . . . . 6208 1 176 . 1 1 16 16 LEU HD12 H 1 1.22 0.01 . 2 . . . . . . . . 6208 1 177 . 1 1 16 16 LEU HD13 H 1 1.22 0.01 . 2 . . . . . . . . 6208 1 178 . 1 1 16 16 LEU HD21 H 1 1.23 0.01 . 2 . . . . . . . . 6208 1 179 . 1 1 16 16 LEU HD22 H 1 1.23 0.01 . 2 . . . . . . . . 6208 1 180 . 1 1 16 16 LEU HD23 H 1 1.23 0.01 . 2 . . . . . . . . 6208 1 181 . 1 1 16 16 LEU CD1 C 13 23.0 0.2 . 1 . . . . . . . . 6208 1 182 . 1 1 16 16 LEU CD2 C 13 26.6 0.2 . 1 . . . . . . . . 6208 1 183 . 1 1 17 17 GLN N N 15 116.8 0.2 . 1 . . . . . . . . 6208 1 184 . 1 1 17 17 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 6208 1 185 . 1 1 17 17 GLN CA C 13 59.4 0.2 . 1 . . . . . . . . 6208 1 186 . 1 1 17 17 GLN HA H 1 3.81 0.01 . 1 . . . . . . . . 6208 1 187 . 1 1 17 17 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 6208 1 188 . 1 1 17 17 GLN HB2 H 1 1.88 0.01 . 2 . . . . . . . . 6208 1 189 . 1 1 17 17 GLN HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6208 1 190 . 1 1 17 17 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 6208 1 191 . 1 1 17 17 GLN HG2 H 1 1.79 0.01 . 1 . . . . . . . . 6208 1 192 . 1 1 17 17 GLN HG3 H 1 1.79 0.01 . 1 . . . . . . . . 6208 1 193 . 1 1 17 17 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 6208 1 194 . 1 1 17 17 GLN HE21 H 1 6.90 0.01 . 2 . . . . . . . . 6208 1 195 . 1 1 17 17 GLN HE22 H 1 6.77 0.01 . 2 . . . . . . . . 6208 1 196 . 1 1 18 18 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 6208 1 197 . 1 1 18 18 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 6208 1 198 . 1 1 18 18 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 6208 1 199 . 1 1 18 18 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 6208 1 200 . 1 1 18 18 LYS CB C 13 30.8 0.2 . 1 . . . . . . . . 6208 1 201 . 1 1 18 18 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 6208 1 202 . 1 1 18 18 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6208 1 203 . 1 1 18 18 LYS CG C 13 24.3 0.2 . 1 . . . . . . . . 6208 1 204 . 1 1 18 18 LYS HG2 H 1 1.34 0.01 . 2 . . . . . . . . 6208 1 205 . 1 1 18 18 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . 6208 1 206 . 1 1 18 18 LYS CD C 13 28.2 0.2 . 1 . . . . . . . . 6208 1 207 . 1 1 18 18 LYS HD2 H 1 1.59 0.01 . 1 . . . . . . . . 6208 1 208 . 1 1 18 18 LYS HD3 H 1 1.59 0.01 . 1 . . . . . . . . 6208 1 209 . 1 1 18 18 LYS CE C 13 41.6 0.2 . 1 . . . . . . . . 6208 1 210 . 1 1 18 18 LYS HE2 H 1 2.85 0.01 . 1 . . . . . . . . 6208 1 211 . 1 1 18 18 LYS HE3 H 1 2.85 0.01 . 1 . . . . . . . . 6208 1 212 . 1 1 19 19 TYR N N 15 116.4 0.2 . 1 . . . . . . . . 6208 1 213 . 1 1 19 19 TYR H H 1 7.89 0.01 . 1 . . . . . . . . 6208 1 214 . 1 1 19 19 TYR CA C 13 60.6 0.2 . 1 . . . . . . . . 6208 1 215 . 1 1 19 19 TYR HA H 1 4.46 0.01 . 1 . . . . . . . . 6208 1 216 . 1 1 19 19 TYR CB C 13 39.2 0.2 . 1 . . . . . . . . 6208 1 217 . 1 1 19 19 TYR HB2 H 1 3.12 0.01 . 1 . . . . . . . . 6208 1 218 . 1 1 19 19 TYR HB3 H 1 3.12 0.01 . 1 . . . . . . . . 6208 1 219 . 1 1 19 19 TYR HD1 H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 220 . 1 1 19 19 TYR HD2 H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 221 . 1 1 19 19 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 6208 1 222 . 1 1 19 19 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 6208 1 223 . 1 1 19 19 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 6208 1 224 . 1 1 19 19 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 6208 1 225 . 1 1 20 20 MET N N 15 118.1 0.2 . 1 . . . . . . . . 6208 1 226 . 1 1 20 20 MET H H 1 8.51 0.01 . 1 . . . . . . . . 6208 1 227 . 1 1 20 20 MET CA C 13 58.8 0.2 . 1 . . . . . . . . 6208 1 228 . 1 1 20 20 MET HA H 1 3.94 0.01 . 1 . . . . . . . . 6208 1 229 . 1 1 20 20 MET CB C 13 32.7 0.2 . 1 . . . . . . . . 6208 1 230 . 1 1 20 20 MET HB2 H 1 2.37 0.01 . 1 . . . . . . . . 6208 1 231 . 1 1 20 20 MET HB3 H 1 2.37 0.01 . 1 . . . . . . . . 6208 1 232 . 1 1 20 20 MET CG C 13 32.8 0.2 . 1 . . . . . . . . 6208 1 233 . 1 1 20 20 MET HG2 H 1 2.70 0.01 . 1 . . . . . . . . 6208 1 234 . 1 1 20 20 MET HG3 H 1 2.70 0.01 . 1 . . . . . . . . 6208 1 235 . 1 1 20 20 MET HE1 H 1 2.31 0.01 . 1 . . . . . . . . 6208 1 236 . 1 1 20 20 MET HE2 H 1 2.31 0.01 . 1 . . . . . . . . 6208 1 237 . 1 1 20 20 MET HE3 H 1 2.31 0.01 . 1 . . . . . . . . 6208 1 238 . 1 1 20 20 MET CE C 13 16.0 0.2 . 1 . . . . . . . . 6208 1 239 . 1 1 21 21 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 6208 1 240 . 1 1 21 21 GLU H H 1 7.85 0.01 . 1 . . . . . . . . 6208 1 241 . 1 1 21 21 GLU CA C 13 58.6 0.2 . 1 . . . . . . . . 6208 1 242 . 1 1 21 21 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 6208 1 243 . 1 1 21 21 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 6208 1 244 . 1 1 21 21 GLU HB2 H 1 1.83 0.01 . 2 . . . . . . . . 6208 1 245 . 1 1 21 21 GLU HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6208 1 246 . 1 1 21 21 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 6208 1 247 . 1 1 21 21 GLU HG2 H 1 1.93 0.01 . 2 . . . . . . . . 6208 1 248 . 1 1 21 21 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 6208 1 249 . 1 1 22 22 TYR N N 15 115.0 0.2 . 1 . . . . . . . . 6208 1 250 . 1 1 22 22 TYR H H 1 7.23 0.01 . 1 . . . . . . . . 6208 1 251 . 1 1 22 22 TYR CA C 13 57.9 0.2 . 1 . . . . . . . . 6208 1 252 . 1 1 22 22 TYR HA H 1 4.48 0.01 . 1 . . . . . . . . 6208 1 253 . 1 1 22 22 TYR CB C 13 38.9 0.2 . 1 . . . . . . . . 6208 1 254 . 1 1 22 22 TYR HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6208 1 255 . 1 1 22 22 TYR HB3 H 1 3.31 0.01 . 2 . . . . . . . . 6208 1 256 . 1 1 22 22 TYR HD1 H 1 7.21 0.01 . 1 . . . . . . . . 6208 1 257 . 1 1 22 22 TYR HD2 H 1 7.21 0.01 . 1 . . . . . . . . 6208 1 258 . 1 1 22 22 TYR HE1 H 1 6.73 0.01 . 1 . . . . . . . . 6208 1 259 . 1 1 22 22 TYR HE2 H 1 6.73 0.01 . 1 . . . . . . . . 6208 1 260 . 1 1 22 22 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 6208 1 261 . 1 1 22 22 TYR CE1 C 13 117.3 0.2 . 1 . . . . . . . . 6208 1 262 . 1 1 23 23 SER N N 15 114.0 0.2 . 1 . . . . . . . . 6208 1 263 . 1 1 23 23 SER H H 1 7.32 0.01 . 1 . . . . . . . . 6208 1 264 . 1 1 23 23 SER CA C 13 57.0 0.2 . 1 . . . . . . . . 6208 1 265 . 1 1 23 23 SER HA H 1 4.51 0.01 . 1 . . . . . . . . 6208 1 266 . 1 1 23 23 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 6208 1 267 . 1 1 23 23 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 6208 1 268 . 1 1 23 23 SER HB3 H 1 3.76 0.01 . 2 . . . . . . . . 6208 1 269 . 1 1 24 24 THR N N 15 116.3 0.2 . 1 . . . . . . . . 6208 1 270 . 1 1 24 24 THR H H 1 8.90 0.01 . 1 . . . . . . . . 6208 1 271 . 1 1 24 24 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 6208 1 272 . 1 1 24 24 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 6208 1 273 . 1 1 24 24 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 6208 1 274 . 1 1 24 24 THR HB H 1 4.40 0.01 . 1 . . . . . . . . 6208 1 275 . 1 1 24 24 THR HG21 H 1 1.18 0.01 . 1 . . . . . . . . 6208 1 276 . 1 1 24 24 THR HG22 H 1 1.18 0.01 . 1 . . . . . . . . 6208 1 277 . 1 1 24 24 THR HG23 H 1 1.18 0.01 . 1 . . . . . . . . 6208 1 278 . 1 1 24 24 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 6208 1 279 . 1 1 25 25 LYS N N 15 122.5 0.2 . 1 . . . . . . . . 6208 1 280 . 1 1 25 25 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 6208 1 281 . 1 1 25 25 LYS CA C 13 54.7 0.2 . 1 . . . . . . . . 6208 1 282 . 1 1 25 25 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 6208 1 283 . 1 1 25 25 LYS CB C 13 34.2 0.2 . 1 . . . . . . . . 6208 1 284 . 1 1 25 25 LYS HB2 H 1 1.48 0.01 . 2 . . . . . . . . 6208 1 285 . 1 1 25 25 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . 6208 1 286 . 1 1 25 25 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 6208 1 287 . 1 1 25 25 LYS HG2 H 1 1.31 0.01 . 1 . . . . . . . . 6208 1 288 . 1 1 25 25 LYS HG3 H 1 1.31 0.01 . 1 . . . . . . . . 6208 1 289 . 1 1 25 25 LYS CD C 13 28.3 0.2 . 1 . . . . . . . . 6208 1 290 . 1 1 25 25 LYS HD2 H 1 1.45 0.01 . 1 . . . . . . . . 6208 1 291 . 1 1 25 25 LYS HD3 H 1 1.45 0.01 . 1 . . . . . . . . 6208 1 292 . 1 1 25 25 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6208 1 293 . 1 1 25 25 LYS HE2 H 1 2.82 0.01 . 1 . . . . . . . . 6208 1 294 . 1 1 25 25 LYS HE3 H 1 2.82 0.01 . 1 . . . . . . . . 6208 1 295 . 1 1 26 26 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 296 . 1 1 26 26 LYS H H 1 8.49 0.01 . 1 . . . . . . . . 6208 1 297 . 1 1 26 26 LYS CA C 13 53.7 0.2 . 1 . . . . . . . . 6208 1 298 . 1 1 26 26 LYS HA H 1 5.05 0.01 . 1 . . . . . . . . 6208 1 299 . 1 1 26 26 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 6208 1 300 . 1 1 26 26 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 6208 1 301 . 1 1 26 26 LYS HB3 H 1 2.08 0.01 . 2 . . . . . . . . 6208 1 302 . 1 1 26 26 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 6208 1 303 . 1 1 26 26 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 6208 1 304 . 1 1 26 26 LYS HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6208 1 305 . 1 1 26 26 LYS CD C 13 28.5 0.2 . 1 . . . . . . . . 6208 1 306 . 1 1 26 26 LYS HD2 H 1 1.70 0.01 . 2 . . . . . . . . 6208 1 307 . 1 1 26 26 LYS HD3 H 1 1.66 0.01 . 2 . . . . . . . . 6208 1 308 . 1 1 26 26 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6208 1 309 . 1 1 26 26 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 6208 1 310 . 1 1 26 26 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 6208 1 311 . 1 1 27 27 VAL CA C 13 66.3 0.2 . 1 . . . . . . . . 6208 1 312 . 1 1 27 27 VAL HA H 1 3.50 0.01 . 1 . . . . . . . . 6208 1 313 . 1 1 27 27 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 6208 1 314 . 1 1 27 27 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 6208 1 315 . 1 1 27 27 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 316 . 1 1 27 27 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 317 . 1 1 27 27 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 318 . 1 1 27 27 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . 6208 1 319 . 1 1 27 27 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . 6208 1 320 . 1 1 27 27 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . 6208 1 321 . 1 1 27 27 VAL CG1 C 13 23.0 0.2 . 1 . . . . . . . . 6208 1 322 . 1 1 27 27 VAL CG2 C 13 19.5 0.2 . 1 . . . . . . . . 6208 1 323 . 1 1 28 28 SER N N 15 116.3 0.2 . 1 . . . . . . . . 6208 1 324 . 1 1 28 28 SER H H 1 8.81 0.01 . 1 . . . . . . . . 6208 1 325 . 1 1 28 28 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 6208 1 326 . 1 1 28 28 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 6208 1 327 . 1 1 28 28 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 6208 1 328 . 1 1 28 28 SER HB2 H 1 3.79 0.01 . 2 . . . . . . . . 6208 1 329 . 1 1 28 28 SER HB3 H 1 3.86 0.01 . 2 . . . . . . . . 6208 1 330 . 1 1 29 29 ASP N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 331 . 1 1 29 29 ASP H H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 332 . 1 1 29 29 ASP CA C 13 56.6 0.2 . 1 . . . . . . . . 6208 1 333 . 1 1 29 29 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 6208 1 334 . 1 1 29 29 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 6208 1 335 . 1 1 29 29 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 6208 1 336 . 1 1 29 29 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 6208 1 337 . 1 1 30 30 VAL N N 15 121.2 0.2 . 1 . . . . . . . . 6208 1 338 . 1 1 30 30 VAL H H 1 7.71 0.01 . 1 . . . . . . . . 6208 1 339 . 1 1 30 30 VAL CA C 13 65.8 0.2 . 1 . . . . . . . . 6208 1 340 . 1 1 30 30 VAL HA H 1 3.71 0.01 . 1 . . . . . . . . 6208 1 341 . 1 1 30 30 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 6208 1 342 . 1 1 30 30 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 6208 1 343 . 1 1 30 30 VAL HG11 H 1 0.77 0.01 . 2 . . . . . . . . 6208 1 344 . 1 1 30 30 VAL HG12 H 1 0.77 0.01 . 2 . . . . . . . . 6208 1 345 . 1 1 30 30 VAL HG13 H 1 0.77 0.01 . 2 . . . . . . . . 6208 1 346 . 1 1 30 30 VAL HG21 H 1 0.99 0.01 . 2 . . . . . . . . 6208 1 347 . 1 1 30 30 VAL HG22 H 1 0.99 0.01 . 2 . . . . . . . . 6208 1 348 . 1 1 30 30 VAL HG23 H 1 0.99 0.01 . 2 . . . . . . . . 6208 1 349 . 1 1 30 30 VAL CG1 C 13 22.4 0.2 . 1 . . . . . . . . 6208 1 350 . 1 1 30 30 VAL CG2 C 13 23.3 0.2 . 1 . . . . . . . . 6208 1 351 . 1 1 31 31 LEU N N 15 118.5 0.2 . 1 . . . . . . . . 6208 1 352 . 1 1 31 31 LEU H H 1 8.72 0.01 . 1 . . . . . . . . 6208 1 353 . 1 1 31 31 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 6208 1 354 . 1 1 31 31 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 6208 1 355 . 1 1 31 31 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 6208 1 356 . 1 1 31 31 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 6208 1 357 . 1 1 31 31 LEU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6208 1 358 . 1 1 31 31 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 6208 1 359 . 1 1 31 31 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 6208 1 360 . 1 1 31 31 LEU HD11 H 1 0.51 0.01 . 2 . . . . . . . . 6208 1 361 . 1 1 31 31 LEU HD12 H 1 0.51 0.01 . 2 . . . . . . . . 6208 1 362 . 1 1 31 31 LEU HD13 H 1 0.51 0.01 . 2 . . . . . . . . 6208 1 363 . 1 1 31 31 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 364 . 1 1 31 31 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 365 . 1 1 31 31 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 366 . 1 1 31 31 LEU CD1 C 13 23.3 0.2 . 1 . . . . . . . . 6208 1 367 . 1 1 31 31 LEU CD2 C 13 25.4 0.2 . 1 . . . . . . . . 6208 1 368 . 1 1 32 32 LYS N N 15 117.9 0.2 . 1 . . . . . . . . 6208 1 369 . 1 1 32 32 LYS H H 1 7.30 0.01 . 1 . . . . . . . . 6208 1 370 . 1 1 32 32 LYS CA C 13 59.2 0.2 . 1 . . . . . . . . 6208 1 371 . 1 1 32 32 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 6208 1 372 . 1 1 32 32 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 6208 1 373 . 1 1 32 32 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 6208 1 374 . 1 1 32 32 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 6208 1 375 . 1 1 32 32 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 6208 1 376 . 1 1 32 32 LYS HG2 H 1 1.55 0.01 . 2 . . . . . . . . 6208 1 377 . 1 1 32 32 LYS HG3 H 1 1.68 0.01 . 2 . . . . . . . . 6208 1 378 . 1 1 32 32 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 6208 1 379 . 1 1 32 32 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 6208 1 380 . 1 1 32 32 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 6208 1 381 . 1 1 32 32 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 382 . 1 1 32 32 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 6208 1 383 . 1 1 32 32 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 6208 1 384 . 1 1 33 33 LEU N N 15 117.6 0.2 . 1 . . . . . . . . 6208 1 385 . 1 1 33 33 LEU H H 1 7.63 0.01 . 1 . . . . . . . . 6208 1 386 . 1 1 33 33 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 6208 1 387 . 1 1 33 33 LEU HA H 1 4.07 0.01 . 1 . . . . . . . . 6208 1 388 . 1 1 33 33 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 6208 1 389 . 1 1 33 33 LEU HB2 H 1 1.33 0.01 . 2 . . . . . . . . 6208 1 390 . 1 1 33 33 LEU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 6208 1 391 . 1 1 33 33 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 6208 1 392 . 1 1 33 33 LEU HG H 1 1.89 0.01 . 1 . . . . . . . . 6208 1 393 . 1 1 33 33 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 394 . 1 1 33 33 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 395 . 1 1 33 33 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 396 . 1 1 33 33 LEU HD21 H 1 1.00 0.01 . 2 . . . . . . . . 6208 1 397 . 1 1 33 33 LEU HD22 H 1 1.00 0.01 . 2 . . . . . . . . 6208 1 398 . 1 1 33 33 LEU HD23 H 1 1.00 0.01 . 2 . . . . . . . . 6208 1 399 . 1 1 33 33 LEU CD1 C 13 22.5 0.2 . 1 . . . . . . . . 6208 1 400 . 1 1 33 33 LEU CD2 C 13 25.5 0.2 . 1 . . . . . . . . 6208 1 401 . 1 1 34 34 PHE N N 15 115.0 0.2 . 1 . . . . . . . . 6208 1 402 . 1 1 34 34 PHE H H 1 7.54 0.01 . 1 . . . . . . . . 6208 1 403 . 1 1 34 34 PHE CA C 13 59.3 0.2 . 1 . . . . . . . . 6208 1 404 . 1 1 34 34 PHE HA H 1 3.77 0.01 . 1 . . . . . . . . 6208 1 405 . 1 1 34 34 PHE CB C 13 38.9 0.2 . 1 . . . . . . . . 6208 1 406 . 1 1 34 34 PHE HB2 H 1 3.06 0.01 . 1 . . . . . . . . 6208 1 407 . 1 1 34 34 PHE HB3 H 1 3.06 0.01 . 1 . . . . . . . . 6208 1 408 . 1 1 34 34 PHE HD1 H 1 7.43 0.01 . 1 . . . . . . . . 6208 1 409 . 1 1 34 34 PHE HD2 H 1 7.43 0.01 . 1 . . . . . . . . 6208 1 410 . 1 1 34 34 PHE HE1 H 1 7.03 0.01 . 1 . . . . . . . . 6208 1 411 . 1 1 34 34 PHE HE2 H 1 7.03 0.01 . 1 . . . . . . . . 6208 1 412 . 1 1 34 34 PHE CD1 C 13 132.6 0.2 . 1 . . . . . . . . 6208 1 413 . 1 1 34 34 PHE CE1 C 13 130.4 0.2 . 1 . . . . . . . . 6208 1 414 . 1 1 34 34 PHE CZ C 13 129.2 0.2 . 1 . . . . . . . . 6208 1 415 . 1 1 34 34 PHE HZ H 1 6.94 0.01 . 1 . . . . . . . . 6208 1 416 . 1 1 35 35 GLU N N 15 117.1 0.2 . 1 . . . . . . . . 6208 1 417 . 1 1 35 35 GLU H H 1 7.73 0.01 . 1 . . . . . . . . 6208 1 418 . 1 1 35 35 GLU CA C 13 57.7 0.2 . 1 . . . . . . . . 6208 1 419 . 1 1 35 35 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 6208 1 420 . 1 1 35 35 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 6208 1 421 . 1 1 35 35 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6208 1 422 . 1 1 35 35 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6208 1 423 . 1 1 35 35 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6208 1 424 . 1 1 35 35 GLU HG2 H 1 2.15 0.01 . 2 . . . . . . . . 6208 1 425 . 1 1 35 35 GLU HG3 H 1 2.38 0.01 . 2 . . . . . . . . 6208 1 426 . 1 1 36 36 ASP N N 15 115.0 0.2 . 1 . . . . . . . . 6208 1 427 . 1 1 36 36 ASP H H 1 7.82 0.01 . 1 . . . . . . . . 6208 1 428 . 1 1 36 36 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 6208 1 429 . 1 1 36 36 ASP HA H 1 4.75 0.01 . 1 . . . . . . . . 6208 1 430 . 1 1 36 36 ASP CB C 13 42.7 0.2 . 1 . . . . . . . . 6208 1 431 . 1 1 36 36 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 6208 1 432 . 1 1 36 36 ASP HB3 H 1 2.64 0.01 . 1 . . . . . . . . 6208 1 433 . 1 1 37 37 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 6208 1 434 . 1 1 37 37 GLY H H 1 7.43 0.01 . 1 . . . . . . . . 6208 1 435 . 1 1 37 37 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 6208 1 436 . 1 1 37 37 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 6208 1 437 . 1 1 37 37 GLY HA3 H 1 3.99 0.01 . 2 . . . . . . . . 6208 1 438 . 1 1 38 38 GLU N N 15 120.8 0.2 . 1 . . . . . . . . 6208 1 439 . 1 1 38 38 GLU H H 1 8.99 0.01 . 1 . . . . . . . . 6208 1 440 . 1 1 38 38 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 6208 1 441 . 1 1 38 38 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 6208 1 442 . 1 1 38 38 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 6208 1 443 . 1 1 38 38 GLU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6208 1 444 . 1 1 38 38 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 6208 1 445 . 1 1 38 38 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 6208 1 446 . 1 1 38 38 GLU HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6208 1 447 . 1 1 38 38 GLU HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6208 1 448 . 1 1 39 39 MET N N 15 114.2 0.2 . 1 . . . . . . . . 6208 1 449 . 1 1 39 39 MET H H 1 7.78 0.01 . 1 . . . . . . . . 6208 1 450 . 1 1 39 39 MET CA C 13 54.4 0.2 . 1 . . . . . . . . 6208 1 451 . 1 1 39 39 MET HA H 1 4.43 0.01 . 1 . . . . . . . . 6208 1 452 . 1 1 39 39 MET CB C 13 29.5 0.2 . 1 . . . . . . . . 6208 1 453 . 1 1 39 39 MET HB2 H 1 0.88 0.01 . 2 . . . . . . . . 6208 1 454 . 1 1 39 39 MET HB3 H 1 0.96 0.01 . 2 . . . . . . . . 6208 1 455 . 1 1 39 39 MET CG C 13 33.2 0.2 . 1 . . . . . . . . 6208 1 456 . 1 1 39 39 MET HG2 H 1 2.06 0.01 . 1 . . . . . . . . 6208 1 457 . 1 1 39 39 MET HG3 H 1 2.06 0.01 . 1 . . . . . . . . 6208 1 458 . 1 1 39 39 MET HE1 H 1 1.84 0.01 . 1 . . . . . . . . 6208 1 459 . 1 1 39 39 MET HE2 H 1 1.84 0.01 . 1 . . . . . . . . 6208 1 460 . 1 1 39 39 MET HE3 H 1 1.84 0.01 . 1 . . . . . . . . 6208 1 461 . 1 1 39 39 MET CE C 13 18.3 0.2 . 1 . . . . . . . . 6208 1 462 . 1 1 40 40 ALA N N 15 122.8 0.2 . 1 . . . . . . . . 6208 1 463 . 1 1 40 40 ALA H H 1 7.49 0.01 . 1 . . . . . . . . 6208 1 464 . 1 1 40 40 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 6208 1 465 . 1 1 40 40 ALA HA H 1 4.46 0.01 . 1 . . . . . . . . 6208 1 466 . 1 1 40 40 ALA HB1 H 1 1.28 0.01 . 1 . . . . . . . . 6208 1 467 . 1 1 40 40 ALA HB2 H 1 1.28 0.01 . 1 . . . . . . . . 6208 1 468 . 1 1 40 40 ALA HB3 H 1 1.28 0.01 . 1 . . . . . . . . 6208 1 469 . 1 1 40 40 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 6208 1 470 . 1 1 41 41 LYS N N 15 115.0 0.2 . 1 . . . . . . . . 6208 1 471 . 1 1 41 41 LYS H H 1 7.41 0.01 . 1 . . . . . . . . 6208 1 472 . 1 1 41 41 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 6208 1 473 . 1 1 41 41 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 6208 1 474 . 1 1 41 41 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 6208 1 475 . 1 1 41 41 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 476 . 1 1 41 41 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 477 . 1 1 41 41 LYS CG C 13 23.1 0.2 . 1 . . . . . . . . 6208 1 478 . 1 1 41 41 LYS HG2 H 1 0.36 0.01 . 2 . . . . . . . . 6208 1 479 . 1 1 41 41 LYS HG3 H 1 1.04 0.01 . 2 . . . . . . . . 6208 1 480 . 1 1 41 41 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6208 1 481 . 1 1 41 41 LYS HD2 H 1 1.35 0.01 . 2 . . . . . . . . 6208 1 482 . 1 1 41 41 LYS HD3 H 1 1.42 0.01 . 2 . . . . . . . . 6208 1 483 . 1 1 41 41 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 484 . 1 1 41 41 LYS HE2 H 1 2.60 0.01 . 1 . . . . . . . . 6208 1 485 . 1 1 41 41 LYS HE3 H 1 2.60 0.01 . 1 . . . . . . . . 6208 1 486 . 1 1 42 42 TYR N N 15 117.1 0.2 . 1 . . . . . . . . 6208 1 487 . 1 1 42 42 TYR H H 1 7.73 0.01 . 1 . . . . . . . . 6208 1 488 . 1 1 42 42 TYR CA C 13 59.6 0.2 . 1 . . . . . . . . 6208 1 489 . 1 1 42 42 TYR HA H 1 4.56 0.01 . 1 . . . . . . . . 6208 1 490 . 1 1 42 42 TYR CB C 13 39.2 0.2 . 1 . . . . . . . . 6208 1 491 . 1 1 42 42 TYR HB2 H 1 3.12 0.01 . 2 . . . . . . . . 6208 1 492 . 1 1 42 42 TYR HB3 H 1 3.49 0.01 . 2 . . . . . . . . 6208 1 493 . 1 1 42 42 TYR HD1 H 1 7.37 0.01 . 1 . . . . . . . . 6208 1 494 . 1 1 42 42 TYR HD2 H 1 7.37 0.01 . 1 . . . . . . . . 6208 1 495 . 1 1 42 42 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 6208 1 496 . 1 1 42 42 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 6208 1 497 . 1 1 42 42 TYR CD1 C 13 132.7 0.2 . 1 . . . . . . . . 6208 1 498 . 1 1 42 42 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 6208 1 499 . 1 1 43 43 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 500 . 1 1 43 43 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 6208 1 501 . 1 1 43 43 VAL CA C 13 61.9 0.2 . 1 . . . . . . . . 6208 1 502 . 1 1 43 43 VAL HA H 1 4.55 0.01 . 1 . . . . . . . . 6208 1 503 . 1 1 43 43 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 6208 1 504 . 1 1 43 43 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 6208 1 505 . 1 1 43 43 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 506 . 1 1 43 43 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 507 . 1 1 43 43 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 6208 1 508 . 1 1 43 43 VAL HG21 H 1 1.15 0.01 . 2 . . . . . . . . 6208 1 509 . 1 1 43 43 VAL HG22 H 1 1.15 0.01 . 2 . . . . . . . . 6208 1 510 . 1 1 43 43 VAL HG23 H 1 1.15 0.01 . 2 . . . . . . . . 6208 1 511 . 1 1 43 43 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 6208 1 512 . 1 1 43 43 VAL CG2 C 13 22.9 0.2 . 1 . . . . . . . . 6208 1 513 . 1 1 44 44 GLN N N 15 126.8 0.2 . 1 . . . . . . . . 6208 1 514 . 1 1 44 44 GLN H H 1 8.80 0.01 . 1 . . . . . . . . 6208 1 515 . 1 1 44 44 GLN CA C 13 54.2 0.2 . 1 . . . . . . . . 6208 1 516 . 1 1 44 44 GLN HA H 1 4.66 0.01 . 1 . . . . . . . . 6208 1 517 . 1 1 44 44 GLN CB C 13 30.0 0.2 . 1 . . . . . . . . 6208 1 518 . 1 1 44 44 GLN HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6208 1 519 . 1 1 44 44 GLN HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6208 1 520 . 1 1 44 44 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 6208 1 521 . 1 1 44 44 GLN HG2 H 1 2.32 0.01 . 1 . . . . . . . . 6208 1 522 . 1 1 44 44 GLN HG3 H 1 2.32 0.01 . 1 . . . . . . . . 6208 1 523 . 1 1 44 44 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 6208 1 524 . 1 1 44 44 GLN HE21 H 1 7.49 0.01 . 2 . . . . . . . . 6208 1 525 . 1 1 44 44 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 6208 1 526 . 1 1 45 45 GLY N N 15 116.9 0.2 . 1 . . . . . . . . 6208 1 527 . 1 1 45 45 GLY H H 1 9.20 0.01 . 1 . . . . . . . . 6208 1 528 . 1 1 45 45 GLY CA C 13 47.7 0.2 . 1 . . . . . . . . 6208 1 529 . 1 1 45 45 GLY HA2 H 1 3.97 0.01 . 2 . . . . . . . . 6208 1 530 . 1 1 45 45 GLY HA3 H 1 3.64 0.01 . 2 . . . . . . . . 6208 1 531 . 1 1 46 46 ASP N N 15 123.2 0.2 . 1 . . . . . . . . 6208 1 532 . 1 1 46 46 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 6208 1 533 . 1 1 46 46 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 6208 1 534 . 1 1 46 46 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 6208 1 535 . 1 1 46 46 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 6208 1 536 . 1 1 46 46 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 6208 1 537 . 1 1 46 46 ASP HB3 H 1 2.83 0.01 . 2 . . . . . . . . 6208 1 538 . 1 1 47 47 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 6208 1 539 . 1 1 47 47 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 6208 1 540 . 1 1 47 47 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 6208 1 541 . 1 1 47 47 ALA HA H 1 5.14 0.01 . 1 . . . . . . . . 6208 1 542 . 1 1 47 47 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 6208 1 543 . 1 1 47 47 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 6208 1 544 . 1 1 47 47 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 6208 1 545 . 1 1 47 47 ALA CB C 13 22.5 0.2 . 1 . . . . . . . . 6208 1 546 . 1 1 48 48 ILE N N 15 115.4 0.2 . 1 . . . . . . . . 6208 1 547 . 1 1 48 48 ILE H H 1 9.06 0.01 . 1 . . . . . . . . 6208 1 548 . 1 1 48 48 ILE CA C 13 59.5 0.2 . 1 . . . . . . . . 6208 1 549 . 1 1 48 48 ILE HA H 1 5.06 0.01 . 1 . . . . . . . . 6208 1 550 . 1 1 48 48 ILE CB C 13 43.4 0.2 . 1 . . . . . . . . 6208 1 551 . 1 1 48 48 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 6208 1 552 . 1 1 48 48 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 6208 1 553 . 1 1 48 48 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 6208 1 554 . 1 1 48 48 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 6208 1 555 . 1 1 48 48 ILE CG2 C 13 16.8 0.2 . 1 . . . . . . . . 6208 1 556 . 1 1 48 48 ILE CG1 C 13 26.6 0.2 . 1 . . . . . . . . 6208 1 557 . 1 1 48 48 ILE HG12 H 1 1.31 0.01 . 2 . . . . . . . . 6208 1 558 . 1 1 48 48 ILE HG13 H 1 1.78 0.01 . 2 . . . . . . . . 6208 1 559 . 1 1 48 48 ILE HD11 H 1 0.41 0.01 . 1 . . . . . . . . 6208 1 560 . 1 1 48 48 ILE HD12 H 1 0.41 0.01 . 1 . . . . . . . . 6208 1 561 . 1 1 48 48 ILE HD13 H 1 0.41 0.01 . 1 . . . . . . . . 6208 1 562 . 1 1 48 48 ILE CD1 C 13 13.5 0.2 . 1 . . . . . . . . 6208 1 563 . 1 1 49 49 GLY N N 15 110.5 0.2 . 1 . . . . . . . . 6208 1 564 . 1 1 49 49 GLY H H 1 8.66 0.01 . 1 . . . . . . . . 6208 1 565 . 1 1 49 49 GLY CA C 13 43.5 0.2 . 1 . . . . . . . . 6208 1 566 . 1 1 49 49 GLY HA2 H 1 5.13 0.01 . 2 . . . . . . . . 6208 1 567 . 1 1 49 49 GLY HA3 H 1 4.05 0.01 . 2 . . . . . . . . 6208 1 568 . 1 1 50 50 TYR N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 569 . 1 1 50 50 TYR H H 1 9.17 0.01 . 1 . . . . . . . . 6208 1 570 . 1 1 50 50 TYR CA C 13 60.8 0.2 . 1 . . . . . . . . 6208 1 571 . 1 1 50 50 TYR HA H 1 3.45 0.01 . 1 . . . . . . . . 6208 1 572 . 1 1 50 50 TYR CB C 13 37.4 0.2 . 1 . . . . . . . . 6208 1 573 . 1 1 50 50 TYR HB2 H 1 2.11 0.01 . 2 . . . . . . . . 6208 1 574 . 1 1 50 50 TYR HB3 H 1 2.46 0.01 . 2 . . . . . . . . 6208 1 575 . 1 1 50 50 TYR HD1 H 1 6.50 0.01 . 1 . . . . . . . . 6208 1 576 . 1 1 50 50 TYR HD2 H 1 6.50 0.01 . 1 . . . . . . . . 6208 1 577 . 1 1 50 50 TYR HE1 H 1 6.46 0.01 . 1 . . . . . . . . 6208 1 578 . 1 1 50 50 TYR HE2 H 1 6.46 0.01 . 1 . . . . . . . . 6208 1 579 . 1 1 50 50 TYR CD1 C 13 132.7 0.2 . 1 . . . . . . . . 6208 1 580 . 1 1 50 50 TYR CE1 C 13 117.3 0.2 . 1 . . . . . . . . 6208 1 581 . 1 1 51 51 GLU N N 15 118.9 0.2 . 1 . . . . . . . . 6208 1 582 . 1 1 51 51 GLU H H 1 8.88 0.01 . 1 . . . . . . . . 6208 1 583 . 1 1 51 51 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 6208 1 584 . 1 1 51 51 GLU HA H 1 3.79 0.01 . 1 . . . . . . . . 6208 1 585 . 1 1 51 51 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 6208 1 586 . 1 1 51 51 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 6208 1 587 . 1 1 51 51 GLU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 6208 1 588 . 1 1 51 51 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 6208 1 589 . 1 1 51 51 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 6208 1 590 . 1 1 51 51 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 6208 1 591 . 1 1 52 52 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 6208 1 592 . 1 1 52 52 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 6208 1 593 . 1 1 52 52 GLY CA C 13 46.5 0.2 . 1 . . . . . . . . 6208 1 594 . 1 1 52 52 GLY HA2 H 1 3.46 0.01 . 2 . . . . . . . . 6208 1 595 . 1 1 52 52 GLY HA3 H 1 2.93 0.01 . 2 . . . . . . . . 6208 1 596 . 1 1 53 53 PHE N N 15 123.8 0.2 . 1 . . . . . . . . 6208 1 597 . 1 1 53 53 PHE H H 1 8.94 0.01 . 1 . . . . . . . . 6208 1 598 . 1 1 53 53 PHE CA C 13 61.5 0.2 . 1 . . . . . . . . 6208 1 599 . 1 1 53 53 PHE HA H 1 3.99 0.01 . 1 . . . . . . . . 6208 1 600 . 1 1 53 53 PHE CB C 13 40.1 0.2 . 1 . . . . . . . . 6208 1 601 . 1 1 53 53 PHE HB2 H 1 3.08 0.01 . 2 . . . . . . . . 6208 1 602 . 1 1 53 53 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 6208 1 603 . 1 1 53 53 PHE HD1 H 1 7.00 0.01 . 1 . . . . . . . . 6208 1 604 . 1 1 53 53 PHE HD2 H 1 7.00 0.01 . 1 . . . . . . . . 6208 1 605 . 1 1 53 53 PHE HE1 H 1 7.55 0.01 . 1 . . . . . . . . 6208 1 606 . 1 1 53 53 PHE HE2 H 1 7.55 0.01 . 1 . . . . . . . . 6208 1 607 . 1 1 53 53 PHE CD1 C 13 131.6 0.2 . 1 . . . . . . . . 6208 1 608 . 1 1 53 53 PHE CE1 C 13 131.4 0.2 . 1 . . . . . . . . 6208 1 609 . 1 1 54 54 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 6208 1 610 . 1 1 54 54 GLN H H 1 8.46 0.01 . 1 . . . . . . . . 6208 1 611 . 1 1 54 54 GLN CA C 13 59.9 0.2 . 1 . . . . . . . . 6208 1 612 . 1 1 54 54 GLN HA H 1 3.52 0.01 . 1 . . . . . . . . 6208 1 613 . 1 1 54 54 GLN CB C 13 29.4 0.2 . 1 . . . . . . . . 6208 1 614 . 1 1 54 54 GLN HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6208 1 615 . 1 1 54 54 GLN HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6208 1 616 . 1 1 54 54 GLN CG C 13 34.9 0.2 . 1 . . . . . . . . 6208 1 617 . 1 1 54 54 GLN HG2 H 1 1.66 0.01 . 2 . . . . . . . . 6208 1 618 . 1 1 54 54 GLN HG3 H 1 1.83 0.01 . 2 . . . . . . . . 6208 1 619 . 1 1 54 54 GLN NE2 N 15 111.5 0.2 . 1 . . . . . . . . 6208 1 620 . 1 1 54 54 GLN HE21 H 1 6.74 0.01 . 2 . . . . . . . . 6208 1 621 . 1 1 54 54 GLN HE22 H 1 5.89 0.01 . 2 . . . . . . . . 6208 1 622 . 1 1 55 55 GLN N N 15 117.5 0.2 . 1 . . . . . . . . 6208 1 623 . 1 1 55 55 GLN H H 1 7.22 0.01 . 1 . . . . . . . . 6208 1 624 . 1 1 55 55 GLN CA C 13 58.1 0.2 . 1 . . . . . . . . 6208 1 625 . 1 1 55 55 GLN HA H 1 3.93 0.01 . 1 . . . . . . . . 6208 1 626 . 1 1 55 55 GLN CB C 13 26.9 0.2 . 1 . . . . . . . . 6208 1 627 . 1 1 55 55 GLN HB2 H 1 1.91 0.01 . 2 . . . . . . . . 6208 1 628 . 1 1 55 55 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 6208 1 629 . 1 1 55 55 GLN CG C 13 32.3 0.2 . 1 . . . . . . . . 6208 1 630 . 1 1 55 55 GLN HG2 H 1 2.05 0.01 . 2 . . . . . . . . 6208 1 631 . 1 1 55 55 GLN HG3 H 1 2.35 0.01 . 2 . . . . . . . . 6208 1 632 . 1 1 55 55 GLN NE2 N 15 111.7 0.2 . 1 . . . . . . . . 6208 1 633 . 1 1 55 55 GLN HE21 H 1 7.04 0.01 . 2 . . . . . . . . 6208 1 634 . 1 1 55 55 GLN HE22 H 1 6.94 0.01 . 2 . . . . . . . . 6208 1 635 . 1 1 56 56 PHE N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 636 . 1 1 56 56 PHE H H 1 8.35 0.01 . 1 . . . . . . . . 6208 1 637 . 1 1 56 56 PHE CA C 13 61.1 0.2 . 1 . . . . . . . . 6208 1 638 . 1 1 56 56 PHE HA H 1 3.74 0.01 . 1 . . . . . . . . 6208 1 639 . 1 1 56 56 PHE CB C 13 37.4 0.2 . 1 . . . . . . . . 6208 1 640 . 1 1 56 56 PHE HB2 H 1 2.46 0.01 . 2 . . . . . . . . 6208 1 641 . 1 1 56 56 PHE HB3 H 1 3.03 0.01 . 2 . . . . . . . . 6208 1 642 . 1 1 56 56 PHE HD1 H 1 6.22 0.01 . 1 . . . . . . . . 6208 1 643 . 1 1 56 56 PHE HD2 H 1 6.22 0.01 . 1 . . . . . . . . 6208 1 644 . 1 1 56 56 PHE HE1 H 1 6.30 0.01 . 1 . . . . . . . . 6208 1 645 . 1 1 56 56 PHE HE2 H 1 6.30 0.01 . 1 . . . . . . . . 6208 1 646 . 1 1 56 56 PHE CD1 C 13 131.2 0.2 . 1 . . . . . . . . 6208 1 647 . 1 1 56 56 PHE CE1 C 13 129.7 0.2 . 1 . . . . . . . . 6208 1 648 . 1 1 56 56 PHE CZ C 13 128.5 0.2 . 1 . . . . . . . . 6208 1 649 . 1 1 56 56 PHE HZ H 1 5.98 0.01 . 1 . . . . . . . . 6208 1 650 . 1 1 57 57 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 6208 1 651 . 1 1 57 57 LEU H H 1 7.95 0.01 . 1 . . . . . . . . 6208 1 652 . 1 1 57 57 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 6208 1 653 . 1 1 57 57 LEU HA H 1 3.31 0.01 . 1 . . . . . . . . 6208 1 654 . 1 1 57 57 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 655 . 1 1 57 57 LEU HB2 H 1 1.05 0.01 . 2 . . . . . . . . 6208 1 656 . 1 1 57 57 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 6208 1 657 . 1 1 57 57 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 6208 1 658 . 1 1 57 57 LEU HG H 1 0.67 0.01 . 1 . . . . . . . . 6208 1 659 . 1 1 57 57 LEU HD11 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 660 . 1 1 57 57 LEU HD12 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 661 . 1 1 57 57 LEU HD13 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 662 . 1 1 57 57 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 6208 1 663 . 1 1 57 57 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 6208 1 664 . 1 1 57 57 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 6208 1 665 . 1 1 57 57 LEU CD1 C 13 21.7 0.2 . 1 . . . . . . . . 6208 1 666 . 1 1 57 57 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 6208 1 667 . 1 1 58 58 LYS N N 15 118.4 0.2 . 1 . . . . . . . . 6208 1 668 . 1 1 58 58 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 6208 1 669 . 1 1 58 58 LYS CA C 13 59.6 0.2 . 1 . . . . . . . . 6208 1 670 . 1 1 58 58 LYS HA H 1 3.78 0.01 . 1 . . . . . . . . 6208 1 671 . 1 1 58 58 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 6208 1 672 . 1 1 58 58 LYS HB2 H 1 1.75 0.01 . 2 . . . . . . . . 6208 1 673 . 1 1 58 58 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 6208 1 674 . 1 1 58 58 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 6208 1 675 . 1 1 58 58 LYS HG2 H 1 1.22 0.01 . 2 . . . . . . . . 6208 1 676 . 1 1 58 58 LYS HG3 H 1 1.47 0.01 . 2 . . . . . . . . 6208 1 677 . 1 1 58 58 LYS CD C 13 29.6 0.2 . 1 . . . . . . . . 6208 1 678 . 1 1 58 58 LYS HD2 H 1 1.55 0.01 . 1 . . . . . . . . 6208 1 679 . 1 1 58 58 LYS HD3 H 1 1.55 0.01 . 1 . . . . . . . . 6208 1 680 . 1 1 58 58 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 6208 1 681 . 1 1 58 58 LYS HE2 H 1 2.85 0.01 . 1 . . . . . . . . 6208 1 682 . 1 1 58 58 LYS HE3 H 1 2.85 0.01 . 1 . . . . . . . . 6208 1 683 . 1 1 59 59 ILE N N 15 117.2 0.2 . 1 . . . . . . . . 6208 1 684 . 1 1 59 59 ILE H H 1 7.49 0.01 . 1 . . . . . . . . 6208 1 685 . 1 1 59 59 ILE CA C 13 63.9 0.2 . 1 . . . . . . . . 6208 1 686 . 1 1 59 59 ILE HA H 1 3.59 0.01 . 1 . . . . . . . . 6208 1 687 . 1 1 59 59 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 6208 1 688 . 1 1 59 59 ILE HB H 1 1.58 0.01 . 1 . . . . . . . . 6208 1 689 . 1 1 59 59 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 6208 1 690 . 1 1 59 59 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 6208 1 691 . 1 1 59 59 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 6208 1 692 . 1 1 59 59 ILE CG2 C 13 17.9 0.2 . 1 . . . . . . . . 6208 1 693 . 1 1 59 59 ILE CG1 C 13 28.2 0.2 . 1 . . . . . . . . 6208 1 694 . 1 1 59 59 ILE HG12 H 1 1.01 0.01 . 2 . . . . . . . . 6208 1 695 . 1 1 59 59 ILE HG13 H 1 1.69 0.01 . 2 . . . . . . . . 6208 1 696 . 1 1 59 59 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6208 1 697 . 1 1 59 59 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6208 1 698 . 1 1 59 59 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6208 1 699 . 1 1 59 59 ILE CD1 C 13 13.6 0.2 . 1 . . . . . . . . 6208 1 700 . 1 1 60 60 TYR N N 15 118.0 0.2 . 1 . . . . . . . . 6208 1 701 . 1 1 60 60 TYR H H 1 8.47 0.01 . 1 . . . . . . . . 6208 1 702 . 1 1 60 60 TYR CA C 13 59.5 0.2 . 1 . . . . . . . . 6208 1 703 . 1 1 60 60 TYR HA H 1 3.80 0.01 . 1 . . . . . . . . 6208 1 704 . 1 1 60 60 TYR CB C 13 39.4 0.2 . 1 . . . . . . . . 6208 1 705 . 1 1 60 60 TYR HB2 H 1 1.99 0.01 . 2 . . . . . . . . 6208 1 706 . 1 1 60 60 TYR HB3 H 1 2.19 0.01 . 2 . . . . . . . . 6208 1 707 . 1 1 60 60 TYR HD1 H 1 6.19 0.01 . 1 . . . . . . . . 6208 1 708 . 1 1 60 60 TYR HD2 H 1 6.19 0.01 . 1 . . . . . . . . 6208 1 709 . 1 1 60 60 TYR HE1 H 1 6.45 0.01 . 1 . . . . . . . . 6208 1 710 . 1 1 60 60 TYR HE2 H 1 6.45 0.01 . 1 . . . . . . . . 6208 1 711 . 1 1 60 60 TYR CD1 C 13 130.9 0.2 . 1 . . . . . . . . 6208 1 712 . 1 1 60 60 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 6208 1 713 . 1 1 61 61 LEU N N 15 112.3 0.2 . 1 . . . . . . . . 6208 1 714 . 1 1 61 61 LEU H H 1 8.30 0.01 . 1 . . . . . . . . 6208 1 715 . 1 1 61 61 LEU CA C 13 53.8 0.2 . 1 . . . . . . . . 6208 1 716 . 1 1 61 61 LEU HA H 1 3.77 0.01 . 1 . . . . . . . . 6208 1 717 . 1 1 61 61 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 6208 1 718 . 1 1 61 61 LEU HB2 H 1 1.19 0.01 . 2 . . . . . . . . 6208 1 719 . 1 1 61 61 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6208 1 720 . 1 1 61 61 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 6208 1 721 . 1 1 61 61 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 6208 1 722 . 1 1 61 61 LEU HD11 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 723 . 1 1 61 61 LEU HD12 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 724 . 1 1 61 61 LEU HD13 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 725 . 1 1 61 61 LEU HD21 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 726 . 1 1 61 61 LEU HD22 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 727 . 1 1 61 61 LEU HD23 H 1 0.51 0.01 . 1 . . . . . . . . 6208 1 728 . 1 1 61 61 LEU CD1 C 13 21.6 0.2 . 1 . . . . . . . . 6208 1 729 . 1 1 61 61 LEU CD2 C 13 24.9 0.2 . 1 . . . . . . . . 6208 1 730 . 1 1 62 62 GLU N N 15 113.2 0.2 . 1 . . . . . . . . 6208 1 731 . 1 1 62 62 GLU H H 1 7.16 0.01 . 1 . . . . . . . . 6208 1 732 . 1 1 62 62 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 6208 1 733 . 1 1 62 62 GLU HA H 1 3.69 0.01 . 1 . . . . . . . . 6208 1 734 . 1 1 62 62 GLU CB C 13 26.9 0.2 . 1 . . . . . . . . 6208 1 735 . 1 1 62 62 GLU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 6208 1 736 . 1 1 62 62 GLU HB3 H 1 2.36 0.01 . 2 . . . . . . . . 6208 1 737 . 1 1 62 62 GLU CG C 13 37.9 0.2 . 1 . . . . . . . . 6208 1 738 . 1 1 62 62 GLU HG2 H 1 1.98 0.01 . 2 . . . . . . . . 6208 1 739 . 1 1 62 62 GLU HG3 H 1 2.14 0.01 . 2 . . . . . . . . 6208 1 740 . 1 1 63 63 VAL N N 15 111.5 0.2 . 1 . . . . . . . . 6208 1 741 . 1 1 63 63 VAL H H 1 7.29 0.01 . 1 . . . . . . . . 6208 1 742 . 1 1 63 63 VAL CA C 13 59.2 0.2 . 1 . . . . . . . . 6208 1 743 . 1 1 63 63 VAL HA H 1 4.48 0.01 . 1 . . . . . . . . 6208 1 744 . 1 1 63 63 VAL CB C 13 35.3 0.2 . 1 . . . . . . . . 6208 1 745 . 1 1 63 63 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 6208 1 746 . 1 1 63 63 VAL HG11 H 1 0.41 0.01 . 2 . . . . . . . . 6208 1 747 . 1 1 63 63 VAL HG12 H 1 0.41 0.01 . 2 . . . . . . . . 6208 1 748 . 1 1 63 63 VAL HG13 H 1 0.41 0.01 . 2 . . . . . . . . 6208 1 749 . 1 1 63 63 VAL HG21 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 750 . 1 1 63 63 VAL HG22 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 751 . 1 1 63 63 VAL HG23 H 1 0.68 0.01 . 2 . . . . . . . . 6208 1 752 . 1 1 63 63 VAL CG1 C 13 19.6 0.2 . 1 . . . . . . . . 6208 1 753 . 1 1 63 63 VAL CG2 C 13 21.5 0.2 . 1 . . . . . . . . 6208 1 754 . 1 1 64 64 ASP N N 15 119.5 0.2 . 1 . . . . . . . . 6208 1 755 . 1 1 64 64 ASP H H 1 8.27 0.01 . 1 . . . . . . . . 6208 1 756 . 1 1 64 64 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 6208 1 757 . 1 1 64 64 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 6208 1 758 . 1 1 64 64 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 6208 1 759 . 1 1 64 64 ASP HB2 H 1 2.53 0.01 . 1 . . . . . . . . 6208 1 760 . 1 1 64 64 ASP HB3 H 1 2.53 0.01 . 1 . . . . . . . . 6208 1 761 . 1 1 65 65 ASN N N 15 115.3 0.2 . 1 . . . . . . . . 6208 1 762 . 1 1 65 65 ASN H H 1 7.58 0.01 . 1 . . . . . . . . 6208 1 763 . 1 1 65 65 ASN CA C 13 52.0 0.2 . 1 . . . . . . . . 6208 1 764 . 1 1 65 65 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 6208 1 765 . 1 1 65 65 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 6208 1 766 . 1 1 65 65 ASN HB2 H 1 2.55 0.01 . 2 . . . . . . . . 6208 1 767 . 1 1 65 65 ASN HB3 H 1 2.56 0.01 . 2 . . . . . . . . 6208 1 768 . 1 1 65 65 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 6208 1 769 . 1 1 65 65 ASN HD21 H 1 7.57 0.01 . 2 . . . . . . . . 6208 1 770 . 1 1 65 65 ASN HD22 H 1 6.80 0.01 . 2 . . . . . . . . 6208 1 771 . 1 1 66 66 VAL N N 15 123.3 0.2 . 1 . . . . . . . . 6208 1 772 . 1 1 66 66 VAL H H 1 8.22 0.01 . 1 . . . . . . . . 6208 1 773 . 1 1 66 66 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 6208 1 774 . 1 1 66 66 VAL HA H 1 3.97 0.01 . 1 . . . . . . . . 6208 1 775 . 1 1 66 66 VAL CB C 13 32.8 0.2 . 1 . . . . . . . . 6208 1 776 . 1 1 66 66 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 6208 1 777 . 1 1 66 66 VAL HG11 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 778 . 1 1 66 66 VAL HG12 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 779 . 1 1 66 66 VAL HG13 H 1 0.52 0.01 . 2 . . . . . . . . 6208 1 780 . 1 1 66 66 VAL HG21 H 1 0.72 0.01 . 2 . . . . . . . . 6208 1 781 . 1 1 66 66 VAL HG22 H 1 0.72 0.01 . 2 . . . . . . . . 6208 1 782 . 1 1 66 66 VAL HG23 H 1 0.72 0.01 . 2 . . . . . . . . 6208 1 783 . 1 1 66 66 VAL CG1 C 13 21.7 0.2 . 1 . . . . . . . . 6208 1 784 . 1 1 66 66 VAL CG2 C 13 20.6 0.2 . 1 . . . . . . . . 6208 1 785 . 1 1 67 67 PRO CD C 13 51.3 0.2 . 1 . . . . . . . . 6208 1 786 . 1 1 67 67 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 6208 1 787 . 1 1 67 67 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 6208 1 788 . 1 1 67 67 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 6208 1 789 . 1 1 67 67 PRO HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6208 1 790 . 1 1 67 67 PRO HB3 H 1 2.49 0.01 . 2 . . . . . . . . 6208 1 791 . 1 1 67 67 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 6208 1 792 . 1 1 67 67 PRO HG2 H 1 2.16 0.01 . 2 . . . . . . . . 6208 1 793 . 1 1 67 67 PRO HG3 H 1 2.12 0.01 . 2 . . . . . . . . 6208 1 794 . 1 1 67 67 PRO HD2 H 1 4.01 0.01 . 2 . . . . . . . . 6208 1 795 . 1 1 67 67 PRO HD3 H 1 3.38 0.01 . 2 . . . . . . . . 6208 1 796 . 1 1 68 68 ARG N N 15 126.9 0.2 . 1 . . . . . . . . 6208 1 797 . 1 1 68 68 ARG H H 1 8.86 0.01 . 1 . . . . . . . . 6208 1 798 . 1 1 68 68 ARG CA C 13 59.1 0.2 . 1 . . . . . . . . 6208 1 799 . 1 1 68 68 ARG HA H 1 4.05 0.01 . 1 . . . . . . . . 6208 1 800 . 1 1 68 68 ARG CB C 13 29.7 0.2 . 1 . . . . . . . . 6208 1 801 . 1 1 68 68 ARG HB2 H 1 1.89 0.01 . 1 . . . . . . . . 6208 1 802 . 1 1 68 68 ARG HB3 H 1 1.89 0.01 . 1 . . . . . . . . 6208 1 803 . 1 1 68 68 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 6208 1 804 . 1 1 68 68 ARG HG2 H 1 1.62 0.01 . 2 . . . . . . . . 6208 1 805 . 1 1 68 68 ARG HG3 H 1 1.81 0.01 . 2 . . . . . . . . 6208 1 806 . 1 1 68 68 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 6208 1 807 . 1 1 68 68 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 6208 1 808 . 1 1 68 68 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 6208 1 809 . 1 1 69 69 HIS N N 15 114.5 0.2 . 1 . . . . . . . . 6208 1 810 . 1 1 69 69 HIS H H 1 8.67 0.01 . 1 . . . . . . . . 6208 1 811 . 1 1 69 69 HIS CA C 13 59.5 0.2 . 1 . . . . . . . . 6208 1 812 . 1 1 69 69 HIS HA H 1 4.23 0.01 . 1 . . . . . . . . 6208 1 813 . 1 1 69 69 HIS CB C 13 28.2 0.2 . 1 . . . . . . . . 6208 1 814 . 1 1 69 69 HIS HB2 H 1 3.16 0.01 . 2 . . . . . . . . 6208 1 815 . 1 1 69 69 HIS HB3 H 1 3.28 0.01 . 2 . . . . . . . . 6208 1 816 . 1 1 69 69 HIS CD2 C 13 120.1 0.2 . 1 . . . . . . . . 6208 1 817 . 1 1 69 69 HIS CE1 C 13 136.1 0.2 . 1 . . . . . . . . 6208 1 818 . 1 1 69 69 HIS HD2 H 1 7.12 0.01 . 1 . . . . . . . . 6208 1 819 . 1 1 69 69 HIS HE1 H 1 8.12 0.01 . 1 . . . . . . . . 6208 1 820 . 1 1 70 70 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 6208 1 821 . 1 1 70 70 LEU H H 1 6.70 0.01 . 1 . . . . . . . . 6208 1 822 . 1 1 70 70 LEU CA C 13 57.0 0.2 . 1 . . . . . . . . 6208 1 823 . 1 1 70 70 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 6208 1 824 . 1 1 70 70 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 825 . 1 1 70 70 LEU HB2 H 1 1.35 0.01 . 2 . . . . . . . . 6208 1 826 . 1 1 70 70 LEU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6208 1 827 . 1 1 70 70 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 6208 1 828 . 1 1 70 70 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 6208 1 829 . 1 1 70 70 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 6208 1 830 . 1 1 70 70 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 6208 1 831 . 1 1 70 70 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 6208 1 832 . 1 1 70 70 LEU HD21 H 1 1.06 0.01 . 2 . . . . . . . . 6208 1 833 . 1 1 70 70 LEU HD22 H 1 1.06 0.01 . 2 . . . . . . . . 6208 1 834 . 1 1 70 70 LEU HD23 H 1 1.06 0.01 . 2 . . . . . . . . 6208 1 835 . 1 1 70 70 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 6208 1 836 . 1 1 70 70 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 6208 1 837 . 1 1 71 71 SER N N 15 113.2 0.2 . 1 . . . . . . . . 6208 1 838 . 1 1 71 71 SER H H 1 8.14 0.01 . 1 . . . . . . . . 6208 1 839 . 1 1 71 71 SER CA C 13 62.0 0.2 . 1 . . . . . . . . 6208 1 840 . 1 1 71 71 SER HA H 1 3.95 0.01 . 1 . . . . . . . . 6208 1 841 . 1 1 71 71 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 6208 1 842 . 1 1 71 71 SER HB2 H 1 3.83 0.01 . 2 . . . . . . . . 6208 1 843 . 1 1 71 71 SER HB3 H 1 4.05 0.01 . 2 . . . . . . . . 6208 1 844 . 1 1 72 72 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 6208 1 845 . 1 1 72 72 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 6208 1 846 . 1 1 72 72 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 6208 1 847 . 1 1 72 72 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 6208 1 848 . 1 1 72 72 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 6208 1 849 . 1 1 72 72 LEU HB2 H 1 1.61 0.01 . 1 . . . . . . . . 6208 1 850 . 1 1 72 72 LEU HB3 H 1 1.61 0.01 . 1 . . . . . . . . 6208 1 851 . 1 1 72 72 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 6208 1 852 . 1 1 72 72 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 6208 1 853 . 1 1 72 72 LEU HD11 H 1 0.48 0.01 . 2 . . . . . . . . 6208 1 854 . 1 1 72 72 LEU HD12 H 1 0.48 0.01 . 2 . . . . . . . . 6208 1 855 . 1 1 72 72 LEU HD13 H 1 0.48 0.01 . 2 . . . . . . . . 6208 1 856 . 1 1 72 72 LEU HD21 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 857 . 1 1 72 72 LEU HD22 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 858 . 1 1 72 72 LEU HD23 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 859 . 1 1 72 72 LEU CD1 C 13 23.1 0.2 . 1 . . . . . . . . 6208 1 860 . 1 1 72 72 LEU CD2 C 13 24.5 0.2 . 1 . . . . . . . . 6208 1 861 . 1 1 73 73 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 6208 1 862 . 1 1 73 73 ALA H H 1 7.67 0.01 . 1 . . . . . . . . 6208 1 863 . 1 1 73 73 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 6208 1 864 . 1 1 73 73 ALA HA H 1 4.05 0.01 . 1 . . . . . . . . 6208 1 865 . 1 1 73 73 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 6208 1 866 . 1 1 73 73 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 6208 1 867 . 1 1 73 73 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 6208 1 868 . 1 1 73 73 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 6208 1 869 . 1 1 74 74 LEU N N 15 116.3 0.2 . 1 . . . . . . . . 6208 1 870 . 1 1 74 74 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 6208 1 871 . 1 1 74 74 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 6208 1 872 . 1 1 74 74 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 6208 1 873 . 1 1 74 74 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 6208 1 874 . 1 1 74 74 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6208 1 875 . 1 1 74 74 LEU HB3 H 1 2.27 0.01 . 2 . . . . . . . . 6208 1 876 . 1 1 74 74 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 6208 1 877 . 1 1 74 74 LEU HG H 1 1.96 0.01 . 1 . . . . . . . . 6208 1 878 . 1 1 74 74 LEU HD11 H 1 1.08 0.01 . 2 . . . . . . . . 6208 1 879 . 1 1 74 74 LEU HD12 H 1 1.08 0.01 . 2 . . . . . . . . 6208 1 880 . 1 1 74 74 LEU HD13 H 1 1.08 0.01 . 2 . . . . . . . . 6208 1 881 . 1 1 74 74 LEU HD21 H 1 1.10 0.01 . 2 . . . . . . . . 6208 1 882 . 1 1 74 74 LEU HD22 H 1 1.10 0.01 . 2 . . . . . . . . 6208 1 883 . 1 1 74 74 LEU HD23 H 1 1.10 0.01 . 2 . . . . . . . . 6208 1 884 . 1 1 74 74 LEU CD1 C 13 24.2 0.2 . 1 . . . . . . . . 6208 1 885 . 1 1 74 74 LEU CD2 C 13 25.9 0.2 . 1 . . . . . . . . 6208 1 886 . 1 1 75 75 PHE N N 15 121.5 0.2 . 1 . . . . . . . . 6208 1 887 . 1 1 75 75 PHE H H 1 8.55 0.01 . 1 . . . . . . . . 6208 1 888 . 1 1 75 75 PHE CA C 13 62.5 0.2 . 1 . . . . . . . . 6208 1 889 . 1 1 75 75 PHE HA H 1 3.29 0.01 . 1 . . . . . . . . 6208 1 890 . 1 1 75 75 PHE CB C 13 39.9 0.2 . 1 . . . . . . . . 6208 1 891 . 1 1 75 75 PHE HB2 H 1 3.04 0.01 . 2 . . . . . . . . 6208 1 892 . 1 1 75 75 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . 6208 1 893 . 1 1 75 75 PHE HD1 H 1 6.51 0.01 . 1 . . . . . . . . 6208 1 894 . 1 1 75 75 PHE HD2 H 1 6.51 0.01 . 1 . . . . . . . . 6208 1 895 . 1 1 75 75 PHE HE1 H 1 7.10 0.01 . 1 . . . . . . . . 6208 1 896 . 1 1 75 75 PHE HE2 H 1 7.10 0.01 . 1 . . . . . . . . 6208 1 897 . 1 1 75 75 PHE CD1 C 13 131.6 0.2 . 1 . . . . . . . . 6208 1 898 . 1 1 75 75 PHE CE1 C 13 130.1 0.2 . 1 . . . . . . . . 6208 1 899 . 1 1 76 76 GLN N N 15 113.2 0.2 . 1 . . . . . . . . 6208 1 900 . 1 1 76 76 GLN H H 1 8.43 0.01 . 1 . . . . . . . . 6208 1 901 . 1 1 76 76 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 6208 1 902 . 1 1 76 76 GLN HA H 1 3.97 0.01 . 1 . . . . . . . . 6208 1 903 . 1 1 76 76 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 6208 1 904 . 1 1 76 76 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6208 1 905 . 1 1 76 76 GLN HB3 H 1 2.06 0.01 . 2 . . . . . . . . 6208 1 906 . 1 1 76 76 GLN CG C 13 34.6 0.2 . 1 . . . . . . . . 6208 1 907 . 1 1 76 76 GLN HG2 H 1 2.37 0.01 . 2 . . . . . . . . 6208 1 908 . 1 1 76 76 GLN HG3 H 1 2.64 0.01 . 2 . . . . . . . . 6208 1 909 . 1 1 76 76 GLN NE2 N 15 110.4 0.2 . 1 . . . . . . . . 6208 1 910 . 1 1 76 76 GLN HE21 H 1 7.43 0.01 . 2 . . . . . . . . 6208 1 911 . 1 1 76 76 GLN HE22 H 1 6.74 0.01 . 2 . . . . . . . . 6208 1 912 . 1 1 77 77 SER N N 15 115.4 0.2 . 1 . . . . . . . . 6208 1 913 . 1 1 77 77 SER H H 1 7.52 0.01 . 1 . . . . . . . . 6208 1 914 . 1 1 77 77 SER CA C 13 60.4 0.2 . 1 . . . . . . . . 6208 1 915 . 1 1 77 77 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 6208 1 916 . 1 1 77 77 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 6208 1 917 . 1 1 77 77 SER HB2 H 1 3.52 0.01 . 2 . . . . . . . . 6208 1 918 . 1 1 77 77 SER HB3 H 1 3.60 0.01 . 2 . . . . . . . . 6208 1 919 . 1 1 78 78 PHE N N 15 119.4 0.2 . 1 . . . . . . . . 6208 1 920 . 1 1 78 78 PHE H H 1 6.87 0.01 . 1 . . . . . . . . 6208 1 921 . 1 1 78 78 PHE CA C 13 57.9 0.2 . 1 . . . . . . . . 6208 1 922 . 1 1 78 78 PHE HA H 1 4.34 0.01 . 1 . . . . . . . . 6208 1 923 . 1 1 78 78 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 6208 1 924 . 1 1 78 78 PHE HB2 H 1 2.46 0.01 . 2 . . . . . . . . 6208 1 925 . 1 1 78 78 PHE HB3 H 1 3.12 0.01 . 2 . . . . . . . . 6208 1 926 . 1 1 78 78 PHE HD1 H 1 7.03 0.01 . 1 . . . . . . . . 6208 1 927 . 1 1 78 78 PHE HD2 H 1 7.03 0.01 . 1 . . . . . . . . 6208 1 928 . 1 1 78 78 PHE HE1 H 1 6.78 0.01 . 1 . . . . . . . . 6208 1 929 . 1 1 78 78 PHE HE2 H 1 6.78 0.01 . 1 . . . . . . . . 6208 1 930 . 1 1 78 78 PHE CD1 C 13 132.1 0.2 . 1 . . . . . . . . 6208 1 931 . 1 1 78 78 PHE CE1 C 13 130.2 0.2 . 1 . . . . . . . . 6208 1 932 . 1 1 78 78 PHE CZ C 13 127.7 0.2 . 1 . . . . . . . . 6208 1 933 . 1 1 78 78 PHE HZ H 1 6.59 0.01 . 1 . . . . . . . . 6208 1 934 . 1 1 79 79 GLU N N 15 121.1 0.2 . 1 . . . . . . . . 6208 1 935 . 1 1 79 79 GLU H H 1 8.09 0.01 . 1 . . . . . . . . 6208 1 936 . 1 1 79 79 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 6208 1 937 . 1 1 79 79 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 6208 1 938 . 1 1 79 79 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6208 1 939 . 1 1 79 79 GLU HB2 H 1 1.87 0.01 . 1 . . . . . . . . 6208 1 940 . 1 1 79 79 GLU HB3 H 1 1.87 0.01 . 1 . . . . . . . . 6208 1 941 . 1 1 79 79 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 6208 1 942 . 1 1 79 79 GLU HG2 H 1 2.06 0.01 . 2 . . . . . . . . 6208 1 943 . 1 1 79 79 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . 6208 1 944 . 1 1 80 80 THR N N 15 115.4 0.2 . 1 . . . . . . . . 6208 1 945 . 1 1 80 80 THR H H 1 8.20 0.01 . 1 . . . . . . . . 6208 1 946 . 1 1 80 80 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 6208 1 947 . 1 1 80 80 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 6208 1 948 . 1 1 80 80 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 6208 1 949 . 1 1 80 80 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 6208 1 950 . 1 1 80 80 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 6208 1 951 . 1 1 80 80 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 6208 1 952 . 1 1 80 80 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 6208 1 953 . 1 1 80 80 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 6208 1 954 . 1 1 81 81 GLY N N 15 110.5 0.2 . 1 . . . . . . . . 6208 1 955 . 1 1 81 81 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 6208 1 956 . 1 1 81 81 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 6208 1 957 . 1 1 81 81 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 6208 1 958 . 1 1 81 81 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 6208 1 959 . 1 1 82 82 HIS N N 15 118.1 0.2 . 1 . . . . . . . . 6208 1 960 . 1 1 82 82 HIS H H 1 8.29 0.01 . 1 . . . . . . . . 6208 1 961 . 1 1 82 82 HIS CA C 13 55.1 0.2 . 1 . . . . . . . . 6208 1 962 . 1 1 82 82 HIS HA H 1 4.76 0.01 . 1 . . . . . . . . 6208 1 963 . 1 1 82 82 HIS CB C 13 30.0 0.2 . 1 . . . . . . . . 6208 1 964 . 1 1 82 82 HIS HB2 H 1 3.06 0.01 . 2 . . . . . . . . 6208 1 965 . 1 1 82 82 HIS HB3 H 1 3.15 0.01 . 2 . . . . . . . . 6208 1 966 . 1 1 82 82 HIS CD2 C 13 120.2 0.2 . 1 . . . . . . . . 6208 1 967 . 1 1 82 82 HIS HD2 H 1 7.18 0.01 . 1 . . . . . . . . 6208 1 968 . 1 1 83 83 CYS N N 15 120.2 0.2 . 1 . . . . . . . . 6208 1 969 . 1 1 83 83 CYS H H 1 8.52 0.01 . 1 . . . . . . . . 6208 1 970 . 1 1 83 83 CYS CA C 13 58.3 0.2 . 1 . . . . . . . . 6208 1 971 . 1 1 83 83 CYS HA H 1 4.46 0.01 . 1 . . . . . . . . 6208 1 972 . 1 1 83 83 CYS CB C 13 28.1 0.2 . 1 . . . . . . . . 6208 1 973 . 1 1 83 83 CYS HB2 H 1 2.84 0.01 . 2 . . . . . . . . 6208 1 974 . 1 1 83 83 CYS HB3 H 1 2.87 0.01 . 2 . . . . . . . . 6208 1 975 . 1 1 84 84 LEU N N 15 124.2 0.2 . 1 . . . . . . . . 6208 1 976 . 1 1 84 84 LEU H H 1 8.53 0.01 . 1 . . . . . . . . 6208 1 977 . 1 1 84 84 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 6208 1 978 . 1 1 84 84 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 6208 1 979 . 1 1 84 84 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 980 . 1 1 84 84 LEU HB2 H 1 1.54 0.01 . 2 . . . . . . . . 6208 1 981 . 1 1 84 84 LEU HB3 H 1 1.61 0.01 . 2 . . . . . . . . 6208 1 982 . 1 1 84 84 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 6208 1 983 . 1 1 84 84 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 6208 1 984 . 1 1 84 84 LEU HD11 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 985 . 1 1 84 84 LEU HD12 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 986 . 1 1 84 84 LEU HD13 H 1 0.78 0.01 . 2 . . . . . . . . 6208 1 987 . 1 1 84 84 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 988 . 1 1 84 84 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 989 . 1 1 84 84 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 990 . 1 1 84 84 LEU CD1 C 13 23.4 0.2 . 1 . . . . . . . . 6208 1 991 . 1 1 84 84 LEU CD2 C 13 24.8 0.2 . 1 . . . . . . . . 6208 1 992 . 1 1 85 85 ASN N N 15 118.4 0.2 . 1 . . . . . . . . 6208 1 993 . 1 1 85 85 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 6208 1 994 . 1 1 85 85 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 6208 1 995 . 1 1 85 85 ASN HA H 1 4.66 0.01 . 1 . . . . . . . . 6208 1 996 . 1 1 85 85 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 6208 1 997 . 1 1 85 85 ASN HB2 H 1 2.83 0.01 . 1 . . . . . . . . 6208 1 998 . 1 1 85 85 ASN HB3 H 1 2.83 0.01 . 1 . . . . . . . . 6208 1 999 . 1 1 85 85 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 6208 1 1000 . 1 1 85 85 ASN HD21 H 1 7.63 0.01 . 2 . . . . . . . . 6208 1 1001 . 1 1 85 85 ASN HD22 H 1 6.91 0.01 . 2 . . . . . . . . 6208 1 1002 . 1 1 86 86 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 6208 1 1003 . 1 1 86 86 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 6208 1 1004 . 1 1 86 86 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 6208 1 1005 . 1 1 86 86 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 6208 1 1006 . 1 1 86 86 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 6208 1 1007 . 1 1 86 86 GLU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6208 1 1008 . 1 1 86 86 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 6208 1 1009 . 1 1 86 86 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6208 1 1010 . 1 1 86 86 GLU HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6208 1 1011 . 1 1 86 86 GLU HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6208 1 1012 . 1 1 87 87 THR N N 15 113.5 0.2 . 1 . . . . . . . . 6208 1 1013 . 1 1 87 87 THR H H 1 8.12 0.01 . 1 . . . . . . . . 6208 1 1014 . 1 1 87 87 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 6208 1 1015 . 1 1 87 87 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 6208 1 1016 . 1 1 87 87 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 6208 1 1017 . 1 1 87 87 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 6208 1 1018 . 1 1 87 87 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1019 . 1 1 87 87 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1020 . 1 1 87 87 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1021 . 1 1 87 87 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6208 1 1022 . 1 1 88 88 ASN N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 1023 . 1 1 88 88 ASN H H 1 8.42 0.01 . 1 . . . . . . . . 6208 1 1024 . 1 1 88 88 ASN CA C 13 53.2 0.2 . 1 . . . . . . . . 6208 1 1025 . 1 1 88 88 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6208 1 1026 . 1 1 88 88 ASN CB C 13 38.4 0.2 . 1 . . . . . . . . 6208 1 1027 . 1 1 88 88 ASN HB2 H 1 2.75 0.01 . 2 . . . . . . . . 6208 1 1028 . 1 1 88 88 ASN HB3 H 1 2.86 0.01 . 2 . . . . . . . . 6208 1 1029 . 1 1 88 88 ASN ND2 N 15 112.7 0.2 . 1 . . . . . . . . 6208 1 1030 . 1 1 88 88 ASN HD21 H 1 7.63 0.01 . 2 . . . . . . . . 6208 1 1031 . 1 1 88 88 ASN HD22 H 1 6.91 0.01 . 2 . . . . . . . . 6208 1 1032 . 1 1 89 89 VAL N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 1033 . 1 1 89 89 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 6208 1 1034 . 1 1 89 89 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 6208 1 1035 . 1 1 89 89 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 6208 1 1036 . 1 1 89 89 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 6208 1 1037 . 1 1 89 89 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 6208 1 1038 . 1 1 89 89 VAL HG11 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1039 . 1 1 89 89 VAL HG12 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1040 . 1 1 89 89 VAL HG13 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1041 . 1 1 89 89 VAL HG21 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1042 . 1 1 89 89 VAL HG22 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1043 . 1 1 89 89 VAL HG23 H 1 0.84 0.01 . 1 . . . . . . . . 6208 1 1044 . 1 1 89 89 VAL CG1 C 13 20.3 0.2 . 1 . . . . . . . . 6208 1 1045 . 1 1 89 89 VAL CG2 C 13 21.0 0.2 . 1 . . . . . . . . 6208 1 1046 . 1 1 90 90 THR N N 15 116.8 0.2 . 1 . . . . . . . . 6208 1 1047 . 1 1 90 90 THR H H 1 8.16 0.01 . 1 . . . . . . . . 6208 1 1048 . 1 1 90 90 THR CA C 13 62.1 0.2 . 1 . . . . . . . . 6208 1 1049 . 1 1 90 90 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 6208 1 1050 . 1 1 90 90 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 6208 1 1051 . 1 1 90 90 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 6208 1 1052 . 1 1 90 90 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1053 . 1 1 90 90 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1054 . 1 1 90 90 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 6208 1 1055 . 1 1 90 90 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6208 1 1056 . 1 1 91 91 LYS N N 15 122.5 0.2 . 1 . . . . . . . . 6208 1 1057 . 1 1 91 91 LYS H H 1 8.15 0.01 . 1 . . . . . . . . 6208 1 1058 . 1 1 91 91 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 6208 1 1059 . 1 1 91 91 LYS HA H 1 4.47 0.01 . 1 . . . . . . . . 6208 1 1060 . 1 1 91 91 LYS CB C 13 34.1 0.2 . 1 . . . . . . . . 6208 1 1061 . 1 1 91 91 LYS HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6208 1 1062 . 1 1 91 91 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 6208 1 1063 . 1 1 91 91 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 6208 1 1064 . 1 1 91 91 LYS HG2 H 1 1.37 0.01 . 2 . . . . . . . . 6208 1 1065 . 1 1 91 91 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 6208 1 1066 . 1 1 91 91 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 6208 1 1067 . 1 1 91 91 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 1068 . 1 1 91 91 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 1069 . 1 1 91 91 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 1070 . 1 1 91 91 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6208 1 1071 . 1 1 91 91 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6208 1 1072 . 1 1 92 92 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 6208 1 1073 . 1 1 92 92 ASP H H 1 8.47 0.01 . 1 . . . . . . . . 6208 1 1074 . 1 1 92 92 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 6208 1 1075 . 1 1 92 92 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 6208 1 1076 . 1 1 92 92 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 6208 1 1077 . 1 1 92 92 ASP HB2 H 1 2.77 0.01 . 1 . . . . . . . . 6208 1 1078 . 1 1 92 92 ASP HB3 H 1 2.77 0.01 . 1 . . . . . . . . 6208 1 1079 . 1 1 93 93 VAL N N 15 111.8 0.2 . 1 . . . . . . . . 6208 1 1080 . 1 1 93 93 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 6208 1 1081 . 1 1 93 93 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 6208 1 1082 . 1 1 93 93 VAL HA H 1 5.19 0.01 . 1 . . . . . . . . 6208 1 1083 . 1 1 93 93 VAL CB C 13 36.2 0.2 . 1 . . . . . . . . 6208 1 1084 . 1 1 93 93 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 6208 1 1085 . 1 1 93 93 VAL HG11 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1086 . 1 1 93 93 VAL HG12 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1087 . 1 1 93 93 VAL HG13 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1088 . 1 1 93 93 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1089 . 1 1 93 93 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1090 . 1 1 93 93 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1091 . 1 1 93 93 VAL CG1 C 13 17.7 0.2 . 1 . . . . . . . . 6208 1 1092 . 1 1 93 93 VAL CG2 C 13 21.5 0.2 . 1 . . . . . . . . 6208 1 1093 . 1 1 94 94 VAL N N 15 115.5 0.2 . 1 . . . . . . . . 6208 1 1094 . 1 1 94 94 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 6208 1 1095 . 1 1 94 94 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 6208 1 1096 . 1 1 94 94 VAL HA H 1 4.35 0.01 . 1 . . . . . . . . 6208 1 1097 . 1 1 94 94 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 6208 1 1098 . 1 1 94 94 VAL HB H 1 1.59 0.01 . 1 . . . . . . . . 6208 1 1099 . 1 1 94 94 VAL HG11 H 1 0.12 0.01 . 2 . . . . . . . . 6208 1 1100 . 1 1 94 94 VAL HG12 H 1 0.12 0.01 . 2 . . . . . . . . 6208 1 1101 . 1 1 94 94 VAL HG13 H 1 0.12 0.01 . 2 . . . . . . . . 6208 1 1102 . 1 1 94 94 VAL HG21 H 1 0.22 0.01 . 2 . . . . . . . . 6208 1 1103 . 1 1 94 94 VAL HG22 H 1 0.22 0.01 . 2 . . . . . . . . 6208 1 1104 . 1 1 94 94 VAL HG23 H 1 0.22 0.01 . 2 . . . . . . . . 6208 1 1105 . 1 1 94 94 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 6208 1 1106 . 1 1 94 94 VAL CG2 C 13 19.3 0.2 . 1 . . . . . . . . 6208 1 1107 . 1 1 95 95 CYS N N 15 122.9 0.2 . 1 . . . . . . . . 6208 1 1108 . 1 1 95 95 CYS H H 1 9.13 0.01 . 1 . . . . . . . . 6208 1 1109 . 1 1 95 95 CYS CA C 13 58.9 0.2 . 1 . . . . . . . . 6208 1 1110 . 1 1 95 95 CYS HA H 1 4.43 0.01 . 1 . . . . . . . . 6208 1 1111 . 1 1 95 95 CYS CB C 13 27.2 0.2 . 1 . . . . . . . . 6208 1 1112 . 1 1 95 95 CYS HB2 H 1 2.93 0.01 . 1 . . . . . . . . 6208 1 1113 . 1 1 95 95 CYS HB3 H 1 2.93 0.01 . 1 . . . . . . . . 6208 1 1114 . 1 1 96 96 LEU N N 15 129.0 0.2 . 1 . . . . . . . . 6208 1 1115 . 1 1 96 96 LEU H H 1 8.98 0.01 . 1 . . . . . . . . 6208 1 1116 . 1 1 96 96 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 6208 1 1117 . 1 1 96 96 LEU HA H 1 3.55 0.01 . 1 . . . . . . . . 6208 1 1118 . 1 1 96 96 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 6208 1 1119 . 1 1 96 96 LEU HB2 H 1 1.39 0.01 . 2 . . . . . . . . 6208 1 1120 . 1 1 96 96 LEU HB3 H 1 1.49 0.01 . 2 . . . . . . . . 6208 1 1121 . 1 1 96 96 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 6208 1 1122 . 1 1 96 96 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 6208 1 1123 . 1 1 96 96 LEU HD11 H 1 0.46 0.01 . 2 . . . . . . . . 6208 1 1124 . 1 1 96 96 LEU HD12 H 1 0.46 0.01 . 2 . . . . . . . . 6208 1 1125 . 1 1 96 96 LEU HD13 H 1 0.46 0.01 . 2 . . . . . . . . 6208 1 1126 . 1 1 96 96 LEU HD21 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1127 . 1 1 96 96 LEU HD22 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1128 . 1 1 96 96 LEU HD23 H 1 0.60 0.01 . 2 . . . . . . . . 6208 1 1129 . 1 1 96 96 LEU CD1 C 13 23.4 0.2 . 1 . . . . . . . . 6208 1 1130 . 1 1 96 96 LEU CD2 C 13 24.4 0.2 . 1 . . . . . . . . 6208 1 1131 . 1 1 97 97 ASN N N 15 116.7 0.2 . 1 . . . . . . . . 6208 1 1132 . 1 1 97 97 ASN H H 1 8.74 0.01 . 1 . . . . . . . . 6208 1 1133 . 1 1 97 97 ASN CA C 13 56.0 0.2 . 1 . . . . . . . . 6208 1 1134 . 1 1 97 97 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 6208 1 1135 . 1 1 97 97 ASN CB C 13 38.3 0.2 . 1 . . . . . . . . 6208 1 1136 . 1 1 97 97 ASN HB2 H 1 2.68 0.01 . 1 . . . . . . . . 6208 1 1137 . 1 1 97 97 ASN HB3 H 1 2.68 0.01 . 1 . . . . . . . . 6208 1 1138 . 1 1 97 97 ASN ND2 N 15 113.8 0.2 . 1 . . . . . . . . 6208 1 1139 . 1 1 97 97 ASN HD21 H 1 7.75 0.01 . 2 . . . . . . . . 6208 1 1140 . 1 1 97 97 ASN HD22 H 1 6.94 0.01 . 2 . . . . . . . . 6208 1 1141 . 1 1 98 98 ASP N N 15 119.8 0.2 . 1 . . . . . . . . 6208 1 1142 . 1 1 98 98 ASP H H 1 7.14 0.01 . 1 . . . . . . . . 6208 1 1143 . 1 1 98 98 ASP CA C 13 57.2 0.2 . 1 . . . . . . . . 6208 1 1144 . 1 1 98 98 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 6208 1 1145 . 1 1 98 98 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 6208 1 1146 . 1 1 98 98 ASP HB2 H 1 2.65 0.01 . 2 . . . . . . . . 6208 1 1147 . 1 1 98 98 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 6208 1 1148 . 1 1 99 99 VAL N N 15 120.8 0.2 . 1 . . . . . . . . 6208 1 1149 . 1 1 99 99 VAL H H 1 6.97 0.01 . 1 . . . . . . . . 6208 1 1150 . 1 1 99 99 VAL CA C 13 65.9 0.2 . 1 . . . . . . . . 6208 1 1151 . 1 1 99 99 VAL HA H 1 3.14 0.01 . 1 . . . . . . . . 6208 1 1152 . 1 1 99 99 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 6208 1 1153 . 1 1 99 99 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 6208 1 1154 . 1 1 99 99 VAL HG11 H 1 0.15 0.01 . 2 . . . . . . . . 6208 1 1155 . 1 1 99 99 VAL HG12 H 1 0.15 0.01 . 2 . . . . . . . . 6208 1 1156 . 1 1 99 99 VAL HG13 H 1 0.15 0.01 . 2 . . . . . . . . 6208 1 1157 . 1 1 99 99 VAL HG21 H 1 0.26 0.01 . 2 . . . . . . . . 6208 1 1158 . 1 1 99 99 VAL HG22 H 1 0.26 0.01 . 2 . . . . . . . . 6208 1 1159 . 1 1 99 99 VAL HG23 H 1 0.26 0.01 . 2 . . . . . . . . 6208 1 1160 . 1 1 99 99 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 6208 1 1161 . 1 1 99 99 VAL CG2 C 13 21.4 0.2 . 1 . . . . . . . . 6208 1 1162 . 1 1 100 100 SER N N 15 111.9 0.2 . 1 . . . . . . . . 6208 1 1163 . 1 1 100 100 SER H H 1 8.22 0.01 . 1 . . . . . . . . 6208 1 1164 . 1 1 100 100 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 6208 1 1165 . 1 1 100 100 SER HA H 1 3.90 0.01 . 1 . . . . . . . . 6208 1 1166 . 1 1 100 100 SER CB C 13 62.6 0.2 . 1 . . . . . . . . 6208 1 1167 . 1 1 100 100 SER HB2 H 1 3.77 0.01 . 1 . . . . . . . . 6208 1 1168 . 1 1 100 100 SER HB3 H 1 3.77 0.01 . 1 . . . . . . . . 6208 1 1169 . 1 1 101 101 CYS N N 15 119.3 0.2 . 1 . . . . . . . . 6208 1 1170 . 1 1 101 101 CYS H H 1 8.20 0.01 . 1 . . . . . . . . 6208 1 1171 . 1 1 101 101 CYS CA C 13 63.1 0.2 . 1 . . . . . . . . 6208 1 1172 . 1 1 101 101 CYS HA H 1 4.05 0.01 . 1 . . . . . . . . 6208 1 1173 . 1 1 101 101 CYS CB C 13 26.8 0.2 . 1 . . . . . . . . 6208 1 1174 . 1 1 101 101 CYS HB2 H 1 3.05 0.01 . 2 . . . . . . . . 6208 1 1175 . 1 1 101 101 CYS HB3 H 1 2.91 0.01 . 2 . . . . . . . . 6208 1 1176 . 1 1 102 102 TYR N N 15 118.9 0.2 . 1 . . . . . . . . 6208 1 1177 . 1 1 102 102 TYR H H 1 7.80 0.01 . 1 . . . . . . . . 6208 1 1178 . 1 1 102 102 TYR CA C 13 61.7 0.2 . 1 . . . . . . . . 6208 1 1179 . 1 1 102 102 TYR HA H 1 4.14 0.01 . 1 . . . . . . . . 6208 1 1180 . 1 1 102 102 TYR CB C 13 39.3 0.2 . 1 . . . . . . . . 6208 1 1181 . 1 1 102 102 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 6208 1 1182 . 1 1 102 102 TYR HB3 H 1 3.24 0.01 . 2 . . . . . . . . 6208 1 1183 . 1 1 102 102 TYR HD1 H 1 6.28 0.01 . 1 . . . . . . . . 6208 1 1184 . 1 1 102 102 TYR HD2 H 1 6.28 0.01 . 1 . . . . . . . . 6208 1 1185 . 1 1 102 102 TYR HE1 H 1 6.34 0.01 . 1 . . . . . . . . 6208 1 1186 . 1 1 102 102 TYR HE2 H 1 6.34 0.01 . 1 . . . . . . . . 6208 1 1187 . 1 1 102 102 TYR CD1 C 13 132.4 0.2 . 1 . . . . . . . . 6208 1 1188 . 1 1 102 102 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 6208 1 1189 . 1 1 103 103 PHE N N 15 114.6 0.2 . 1 . . . . . . . . 6208 1 1190 . 1 1 103 103 PHE H H 1 8.13 0.01 . 1 . . . . . . . . 6208 1 1191 . 1 1 103 103 PHE CA C 13 63.0 0.2 . 1 . . . . . . . . 6208 1 1192 . 1 1 103 103 PHE HA H 1 4.19 0.01 . 1 . . . . . . . . 6208 1 1193 . 1 1 103 103 PHE CB C 13 37.8 0.2 . 1 . . . . . . . . 6208 1 1194 . 1 1 103 103 PHE HB2 H 1 2.75 0.01 . 2 . . . . . . . . 6208 1 1195 . 1 1 103 103 PHE HB3 H 1 3.42 0.01 . 2 . . . . . . . . 6208 1 1196 . 1 1 103 103 PHE HD1 H 1 7.67 0.01 . 1 . . . . . . . . 6208 1 1197 . 1 1 103 103 PHE HD2 H 1 7.67 0.01 . 1 . . . . . . . . 6208 1 1198 . 1 1 103 103 PHE HE1 H 1 7.50 0.01 . 1 . . . . . . . . 6208 1 1199 . 1 1 103 103 PHE HE2 H 1 7.50 0.01 . 1 . . . . . . . . 6208 1 1200 . 1 1 103 103 PHE CD1 C 13 132.9 0.2 . 1 . . . . . . . . 6208 1 1201 . 1 1 103 103 PHE CE1 C 13 130.4 0.2 . 1 . . . . . . . . 6208 1 1202 . 1 1 103 103 PHE CZ C 13 128.4 0.2 . 1 . . . . . . . . 6208 1 1203 . 1 1 103 103 PHE HZ H 1 7.38 0.01 . 1 . . . . . . . . 6208 1 1204 . 1 1 104 104 SER N N 15 115.8 0.2 . 1 . . . . . . . . 6208 1 1205 . 1 1 104 104 SER H H 1 8.67 0.01 . 1 . . . . . . . . 6208 1 1206 . 1 1 104 104 SER CA C 13 62.5 0.2 . 1 . . . . . . . . 6208 1 1207 . 1 1 104 104 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 6208 1 1208 . 1 1 104 104 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 6208 1 1209 . 1 1 104 104 SER HB2 H 1 4.00 0.01 . 2 . . . . . . . . 6208 1 1210 . 1 1 104 104 SER HB3 H 1 3.86 0.01 . 2 . . . . . . . . 6208 1 1211 . 1 1 105 105 LEU N N 15 121.9 0.2 . 1 . . . . . . . . 6208 1 1212 . 1 1 105 105 LEU H H 1 7.46 0.01 . 1 . . . . . . . . 6208 1 1213 . 1 1 105 105 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 6208 1 1214 . 1 1 105 105 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 6208 1 1215 . 1 1 105 105 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 6208 1 1216 . 1 1 105 105 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 6208 1 1217 . 1 1 105 105 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 6208 1 1218 . 1 1 105 105 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 6208 1 1219 . 1 1 105 105 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 6208 1 1220 . 1 1 105 105 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1221 . 1 1 105 105 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1222 . 1 1 105 105 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1223 . 1 1 105 105 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1224 . 1 1 105 105 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1225 . 1 1 105 105 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1226 . 1 1 105 105 LEU CD1 C 13 23.6 0.2 . 1 . . . . . . . . 6208 1 1227 . 1 1 105 105 LEU CD2 C 13 24.7 0.2 . 1 . . . . . . . . 6208 1 1228 . 1 1 106 106 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 6208 1 1229 . 1 1 106 106 LEU H H 1 7.36 0.01 . 1 . . . . . . . . 6208 1 1230 . 1 1 106 106 LEU CA C 13 57.1 0.2 . 1 . . . . . . . . 6208 1 1231 . 1 1 106 106 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 6208 1 1232 . 1 1 106 106 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 6208 1 1233 . 1 1 106 106 LEU HB2 H 1 1.54 0.01 . 2 . . . . . . . . 6208 1 1234 . 1 1 106 106 LEU HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6208 1 1235 . 1 1 106 106 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 6208 1 1236 . 1 1 106 106 LEU HG H 1 1.44 0.01 . 1 . . . . . . . . 6208 1 1237 . 1 1 106 106 LEU HD11 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 1238 . 1 1 106 106 LEU HD12 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 1239 . 1 1 106 106 LEU HD13 H 1 0.71 0.01 . 2 . . . . . . . . 6208 1 1240 . 1 1 106 106 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1241 . 1 1 106 106 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1242 . 1 1 106 106 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 6208 1 1243 . 1 1 106 106 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 6208 1 1244 . 1 1 106 106 LEU CD2 C 13 23.0 0.2 . 1 . . . . . . . . 6208 1 1245 . 1 1 107 107 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 6208 1 1246 . 1 1 107 107 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 6208 1 1247 . 1 1 107 107 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 6208 1 1248 . 1 1 107 107 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 6208 1 1249 . 1 1 107 107 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 6208 1 1250 . 1 1 107 107 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 6208 1 1251 . 1 1 107 107 GLU HB3 H 1 2.26 0.01 . 2 . . . . . . . . 6208 1 1252 . 1 1 107 107 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 6208 1 1253 . 1 1 107 107 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 6208 1 1254 . 1 1 107 107 GLU HG3 H 1 2.78 0.01 . 2 . . . . . . . . 6208 1 1255 . 1 1 108 108 GLY N N 15 105.8 0.2 . 1 . . . . . . . . 6208 1 1256 . 1 1 108 108 GLY H H 1 7.79 0.01 . 1 . . . . . . . . 6208 1 1257 . 1 1 108 108 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 6208 1 1258 . 1 1 108 108 GLY HA2 H 1 4.01 0.01 . 1 . . . . . . . . 6208 1 1259 . 1 1 108 108 GLY HA3 H 1 4.01 0.01 . 1 . . . . . . . . 6208 1 1260 . 1 1 109 109 GLY N N 15 108.0 0.2 . 1 . . . . . . . . 6208 1 1261 . 1 1 109 109 GLY H H 1 7.99 0.01 . 1 . . . . . . . . 6208 1 1262 . 1 1 109 109 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 6208 1 1263 . 1 1 109 109 GLY HA2 H 1 4.04 0.01 . 2 . . . . . . . . 6208 1 1264 . 1 1 109 109 GLY HA3 H 1 3.87 0.01 . 2 . . . . . . . . 6208 1 1265 . 1 1 110 110 ARG N N 15 121.2 0.2 . 1 . . . . . . . . 6208 1 1266 . 1 1 110 110 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 6208 1 1267 . 1 1 110 110 ARG CA C 13 54.0 0.2 . 1 . . . . . . . . 6208 1 1268 . 1 1 110 110 ARG HA H 1 4.57 0.01 . 1 . . . . . . . . 6208 1 1269 . 1 1 110 110 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 6208 1 1270 . 1 1 110 110 ARG HB2 H 1 1.69 0.01 . 2 . . . . . . . . 6208 1 1271 . 1 1 110 110 ARG HB3 H 1 1.87 0.01 . 2 . . . . . . . . 6208 1 1272 . 1 1 110 110 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 6208 1 1273 . 1 1 110 110 ARG HG2 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 1274 . 1 1 110 110 ARG HG3 H 1 1.65 0.01 . 1 . . . . . . . . 6208 1 1275 . 1 1 110 110 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 6208 1 1276 . 1 1 110 110 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 6208 1 1277 . 1 1 110 110 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 6208 1 1278 . 1 1 110 110 ARG NE N 15 84.3 0.2 . 1 . . . . . . . . 6208 1 1279 . 1 1 110 110 ARG HE H 1 7.30 0.01 . 1 . . . . . . . . 6208 1 1280 . 1 1 111 111 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 6208 1 1281 . 1 1 111 111 PRO CA C 13 63.7 0.2 . 1 . . . . . . . . 6208 1 1282 . 1 1 111 111 PRO HA H 1 4.31 0.01 . 1 . . . . . . . . 6208 1 1283 . 1 1 111 111 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6208 1 1284 . 1 1 111 111 PRO HB2 H 1 1.88 0.01 . 2 . . . . . . . . 6208 1 1285 . 1 1 111 111 PRO HB3 H 1 2.25 0.01 . 2 . . . . . . . . 6208 1 1286 . 1 1 111 111 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 6208 1 1287 . 1 1 111 111 PRO HG2 H 1 1.95 0.01 . 2 . . . . . . . . 6208 1 1288 . 1 1 111 111 PRO HG3 H 1 2.00 0.01 . 2 . . . . . . . . 6208 1 1289 . 1 1 111 111 PRO HD2 H 1 3.63 0.01 . 2 . . . . . . . . 6208 1 1290 . 1 1 111 111 PRO HD3 H 1 3.78 0.01 . 2 . . . . . . . . 6208 1 1291 . 1 1 112 112 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 6208 1 1292 . 1 1 112 112 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 6208 1 1293 . 1 1 112 112 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 6208 1 1294 . 1 1 112 112 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 6208 1 1295 . 1 1 112 112 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 6208 1 1296 . 1 1 112 112 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6208 1 1297 . 1 1 112 112 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6208 1 1298 . 1 1 112 112 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 6208 1 1299 . 1 1 112 112 GLU HG2 H 1 2.23 0.01 . 1 . . . . . . . . 6208 1 1300 . 1 1 112 112 GLU HG3 H 1 2.23 0.01 . 1 . . . . . . . . 6208 1 1301 . 1 1 113 113 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 1302 . 1 1 113 113 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 6208 1 1303 . 1 1 113 113 ASP CA C 13 54.4 0.2 . 1 . . . . . . . . 6208 1 1304 . 1 1 113 113 ASP HA H 1 4.54 0.01 . 1 . . . . . . . . 6208 1 1305 . 1 1 113 113 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 6208 1 1306 . 1 1 113 113 ASP HB2 H 1 2.60 0.01 . 2 . . . . . . . . 6208 1 1307 . 1 1 113 113 ASP HB3 H 1 2.67 0.01 . 2 . . . . . . . . 6208 1 1308 . 1 1 114 114 LYS N N 15 120.8 0.2 . 1 . . . . . . . . 6208 1 1309 . 1 1 114 114 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 6208 1 1310 . 1 1 114 114 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 6208 1 1311 . 1 1 114 114 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 6208 1 1312 . 1 1 114 114 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 6208 1 1313 . 1 1 114 114 LYS HB2 H 1 1.63 0.01 . 2 . . . . . . . . 6208 1 1314 . 1 1 114 114 LYS HB3 H 1 1.74 0.01 . 2 . . . . . . . . 6208 1 1315 . 1 1 114 114 LYS CG C 13 24.4 0.2 . 1 . . . . . . . . 6208 1 1316 . 1 1 114 114 LYS HG2 H 1 1.26 0.01 . 2 . . . . . . . . 6208 1 1317 . 1 1 114 114 LYS HG3 H 1 1.31 0.01 . 2 . . . . . . . . 6208 1 1318 . 1 1 114 114 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 6208 1 1319 . 1 1 114 114 LYS HD2 H 1 1.55 0.01 . 1 . . . . . . . . 6208 1 1320 . 1 1 114 114 LYS HD3 H 1 1.55 0.01 . 1 . . . . . . . . 6208 1 1321 . 1 1 114 114 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 1322 . 1 1 114 114 LYS HE2 H 1 2.87 0.01 . 1 . . . . . . . . 6208 1 1323 . 1 1 114 114 LYS HE3 H 1 2.87 0.01 . 1 . . . . . . . . 6208 1 1324 . 1 1 115 115 LEU N N 15 123.0 0.2 . 1 . . . . . . . . 6208 1 1325 . 1 1 115 115 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 6208 1 1326 . 1 1 115 115 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 6208 1 1327 . 1 1 115 115 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 6208 1 1328 . 1 1 115 115 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 6208 1 1329 . 1 1 115 115 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 6208 1 1330 . 1 1 115 115 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6208 1 1331 . 1 1 115 115 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 6208 1 1332 . 1 1 115 115 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 6208 1 1333 . 1 1 115 115 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 6208 1 1334 . 1 1 115 115 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 6208 1 1335 . 1 1 115 115 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 6208 1 1336 . 1 1 115 115 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1337 . 1 1 115 115 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1338 . 1 1 115 115 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 6208 1 1339 . 1 1 115 115 LEU CD1 C 13 23.2 0.2 . 1 . . . . . . . . 6208 1 1340 . 1 1 115 115 LEU CD2 C 13 24.8 0.2 . 1 . . . . . . . . 6208 1 1341 . 1 1 116 116 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 6208 1 1342 . 1 1 116 116 GLU H H 1 8.19 0.01 . 1 . . . . . . . . 6208 1 1343 . 1 1 116 116 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 6208 1 1344 . 1 1 116 116 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 6208 1 1345 . 1 1 116 116 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 6208 1 1346 . 1 1 116 116 GLU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 6208 1 1347 . 1 1 116 116 GLU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 6208 1 1348 . 1 1 116 116 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 6208 1 1349 . 1 1 116 116 GLU HG2 H 1 2.04 0.01 . 2 . . . . . . . . 6208 1 1350 . 1 1 116 116 GLU HG3 H 1 2.12 0.01 . 2 . . . . . . . . 6208 1 1351 . 1 1 117 117 TRP N N 15 121.5 0.2 . 1 . . . . . . . . 6208 1 1352 . 1 1 117 117 TRP H H 1 8.02 0.01 . 1 . . . . . . . . 6208 1 1353 . 1 1 117 117 TRP CA C 13 56.8 0.2 . 1 . . . . . . . . 6208 1 1354 . 1 1 117 117 TRP HA H 1 4.68 0.01 . 1 . . . . . . . . 6208 1 1355 . 1 1 117 117 TRP CB C 13 29.5 0.2 . 1 . . . . . . . . 6208 1 1356 . 1 1 117 117 TRP HB2 H 1 3.15 0.01 . 2 . . . . . . . . 6208 1 1357 . 1 1 117 117 TRP HB3 H 1 3.28 0.01 . 2 . . . . . . . . 6208 1 1358 . 1 1 117 117 TRP CD1 C 13 126.6 0.2 . 1 . . . . . . . . 6208 1 1359 . 1 1 117 117 TRP CE3 C 13 121.2 0.2 . 1 . . . . . . . . 6208 1 1360 . 1 1 117 117 TRP NE1 N 15 128.9 0.2 . 1 . . . . . . . . 6208 1 1361 . 1 1 117 117 TRP HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6208 1 1362 . 1 1 117 117 TRP HE3 H 1 7.54 0.01 . 1 . . . . . . . . 6208 1 1363 . 1 1 117 117 TRP CZ3 C 13 121.0 0.2 . 1 . . . . . . . . 6208 1 1364 . 1 1 117 117 TRP CZ2 C 13 114.2 0.2 . 1 . . . . . . . . 6208 1 1365 . 1 1 117 117 TRP HE1 H 1 10.04 0.01 . 1 . . . . . . . . 6208 1 1366 . 1 1 117 117 TRP HZ3 H 1 7.02 0.01 . 1 . . . . . . . . 6208 1 1367 . 1 1 117 117 TRP CH2 C 13 124.2 0.2 . 1 . . . . . . . . 6208 1 1368 . 1 1 117 117 TRP HZ2 H 1 7.37 0.01 . 1 . . . . . . . . 6208 1 1369 . 1 1 117 117 TRP HH2 H 1 7.10 0.01 . 1 . . . . . . . . 6208 1 1370 . 1 1 118 118 SER N N 15 122.4 0.2 . 1 . . . . . . . . 6208 1 1371 . 1 1 118 118 SER H H 1 7.74 0.01 . 1 . . . . . . . . 6208 1 1372 . 1 1 118 118 SER CA C 13 59.8 0.2 . 1 . . . . . . . . 6208 1 1373 . 1 1 118 118 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 6208 1 1374 . 1 1 118 118 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 6208 1 1375 . 1 1 118 118 SER HB2 H 1 3.75 0.01 . 1 . . . . . . . . 6208 1 1376 . 1 1 118 118 SER HB3 H 1 3.75 0.01 . 1 . . . . . . . . 6208 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_1 _Coupling_constant_list.Entry_ID 6208 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6208 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 12 12 ASP HA . . . . 1 1 12 12 ASP HA . . . 3.4 . . 2.5 . . . . . . . . . . . 6208 1 2 3JHNHA . 1 1 14 14 ALA HA . . . . 1 1 14 14 ALA HA . . . 3.8 . . 2.0 . . . . . . . . . . . 6208 1 3 3JHNHA . 1 1 15 15 GLN HA . . . . 1 1 15 15 GLN HA . . . 4.5 . . 2.0 . . . . . . . . . . . 6208 1 4 3JHNHA . 1 1 16 16 LEU HA . . . . 1 1 16 16 LEU HA . . . 3.3 . . 2.5 . . . . . . . . . . . 6208 1 5 3JHNHA . 1 1 18 18 LYS HA . . . . 1 1 18 18 LYS HA . . . 4.9 . . 2.0 . . . . . . . . . . . 6208 1 6 3JHNHA . 1 1 19 19 TYR HA . . . . 1 1 19 19 TYR HA . . . 3.6 . . 2.0 . . . . . . . . . . . 6208 1 7 3JHNHA . 1 1 21 21 GLU HA . . . . 1 1 21 21 GLU HA . . . 3.7 . . 2.0 . . . . . . . . . . . 6208 1 8 3JHNHA . 1 1 23 23 SER HA . . . . 1 1 23 23 SER HA . . . 9.0 . . 2.0 . . . . . . . . . . . 6208 1 9 3JHNHA . 1 1 25 25 LYS HA . . . . 1 1 25 25 LYS HA . . . 7.8 . . 2.0 . . . . . . . . . . . 6208 1 10 3JHNHA . 1 1 26 26 LYS HA . . . . 1 1 26 26 LYS HA . . . 7.3 . . 2.0 . . . . . . . . . . . 6208 1 11 3JHNHA . 1 1 29 29 ASP HA . . . . 1 1 29 29 ASP HA . . . 5.7 . . 2.0 . . . . . . . . . . . 6208 1 12 3JHNHA . 1 1 30 30 VAL HA . . . . 1 1 30 30 VAL HA . . . 1.7 . . 4.0 . . . . . . . . . . . 6208 1 13 3JHNHA . 1 1 31 31 LEU HA . . . . 1 1 31 31 LEU HA . . . 4.4 . . 2.0 . . . . . . . . . . . 6208 1 14 3JHNHA . 1 1 32 32 LYS HA . . . . 1 1 32 32 LYS HA . . . 3.0 . . 2.5 . . . . . . . . . . . 6208 1 15 3JHNHA . 1 1 34 34 PHE HA . . . . 1 1 34 34 PHE HA . . . 8.3 . . 2.0 . . . . . . . . . . . 6208 1 16 3JHNHA . 1 1 47 47 ALA HA . . . . 1 1 47 47 ALA HA . . . 7.6 . . 2.0 . . . . . . . . . . . 6208 1 17 3JHNHA . 1 1 51 51 GLU HA . . . . 1 1 51 51 GLU HA . . . 3.1 . . 2.5 . . . . . . . . . . . 6208 1 18 3JHNHA . 1 1 54 54 GLN HA . . . . 1 1 54 54 GLN HA . . . 3.1 . . 2.5 . . . . . . . . . . . 6208 1 19 3JHNHA . 1 1 55 55 GLN HA . . . . 1 1 55 55 GLN HA . . . 4.7 . . 2.0 . . . . . . . . . . . 6208 1 20 3JHNHA . 1 1 57 57 LEU HA . . . . 1 1 57 57 LEU HA . . . 2.2 . . 3.0 . . . . . . . . . . . 6208 1 21 3JHNHA . 1 1 58 58 LYS HA . . . . 1 1 58 58 LYS HA . . . 3.1 . . 2.5 . . . . . . . . . . . 6208 1 22 3JHNHA . 1 1 59 59 ILE HA . . . . 1 1 59 59 ILE HA . . . 6.0 . . 2.0 . . . . . . . . . . . 6208 1 23 3JHNHA . 1 1 71 71 SER HA . . . . 1 1 71 71 SER HA . . . 3.8 . . 2.0 . . . . . . . . . . . 6208 1 24 3JHNHA . 1 1 72 72 LEU HA . . . . 1 1 72 72 LEU HA . . . 4.4 . . 2.0 . . . . . . . . . . . 6208 1 25 3JHNHA . 1 1 73 73 ALA HA . . . . 1 1 73 73 ALA HA . . . 4.9 . . 2.0 . . . . . . . . . . . 6208 1 26 3JHNHA . 1 1 74 74 LEU HA . . . . 1 1 74 74 LEU HA . . . 4.1 . . 2.0 . . . . . . . . . . . 6208 1 27 3JHNHA . 1 1 77 77 SER HA . . . . 1 1 77 77 SER HA . . . 4.7 . . 2.0 . . . . . . . . . . . 6208 1 28 3JHNHA . 1 1 95 95 CYS HA . . . . 1 1 95 95 CYS HA . . . 3.1 . . 2.5 . . . . . . . . . . . 6208 1 29 3JHNHA . 1 1 98 98 ASP HA . . . . 1 1 98 98 ASP HA . . . 4.9 . . 2.0 . . . . . . . . . . . 6208 1 30 3JHNHA . 1 1 99 99 VAL HA . . . . 1 1 99 99 VAL HA . . . 3.6 . . 2.0 . . . . . . . . . . . 6208 1 31 3JHNHA . 1 1 100 100 SER HA . . . . 1 1 100 100 SER HA . . . 2.5 . . 3.0 . . . . . . . . . . . 6208 1 32 3JHNHA . 1 1 103 103 PHE HA . . . . 1 1 103 103 PHE HA . . . 5.4 . . 3.0 . . . . . . . . . . . 6208 1 33 3JHNHA . 1 1 104 104 SER HA . . . . 1 1 104 104 SER HA . . . 2.1 . . 3.0 . . . . . . . . . . . 6208 1 34 3JHNHA . 1 1 105 105 LEU HA . . . . 1 1 105 105 LEU HA . . . 3.2 . . 2.5 . . . . . . . . . . . 6208 1 35 3JHNHA . 1 1 106 106 LEU HA . . . . 1 1 106 106 LEU HA . . . 5.1 . . 2.0 . . . . . . . . . . . 6208 1 36 3JHNHA . 1 1 107 107 GLU HA . . . . 1 1 107 107 GLU HA . . . 5.0 . . 2.0 . . . . . . . . . . . 6208 1 stop_ save_