data_7054 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7054 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR chemical shift assignments and structure determination of Xanthomonas campestris XCC1710' 'Structure analysis' 'structure determination of this protein' 7054 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 7054 1 . 'structural genomics' 7054 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7054 _Entry.Title ; NMR chemical shift assignments and structure determination of Xanthomonas campestris XCC1710: Northeast Structural Genomics Consortium Target XcR35 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-05 _Entry.Accession_date 2006-04-06 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 John Cort . R. . 7054 2 Gaetano Montelione . T. . 7054 3 Theresa Ramelot . A. . 7054 4 Michael Kennedy . A. . 7054 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 7054 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7054 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 7054 '15N chemical shifts' 107 7054 '1H chemical shifts' 751 7054 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 . . 2006-04-24 2006-04-05 original author . 7054 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7054 _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 'NMR chemical shift assignments of Xanthomonas campestris XCC1710' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 John Cort . R. . 7054 1 2 Gaetano Montelione . T. . 7054 1 3 Theresa Ramelot . A. . 7054 1 4 Michael Kennedy . A. . 7054 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7054 _Assembly.ID 1 _Assembly.Name XCC1710 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14700 _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 protein 7054 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 XCC1710 1 $XCC1710 . . yes native no no . . . 7054 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XCC1710 _Entity.Sf_category entity _Entity.Sf_framecode XCC1710 _Entity.Entry_ID 7054 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XCC1710 _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 ; MPLNQEHPDYTYALRAADGR HAKVNEQILQQSFILMPDEL VEHWPVPSLGQLQPAHMDAV LALNPAVILLGTGERQQFPS TDVLAACLTRGIGLEAMTNA AAARTYNVLASEGRRVALAM IVGGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2GM2 . "Nmr Structure Of Xanthomonas Campestris Xcc1710: Northeast Structural Genomics Consortium Target Xcr35" . . . . . 100.00 132 100.00 100.00 2.88e-90 . . . . 7054 1 2 no EMBL CAP51909 . "Conserved hypothetical protein [Xanthomonas campestris pv. campestris]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 3 no GB AAM41004 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 4 no GB AAY49571 . "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. 8004]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 5 no GB AEL06839 . "conserved hypothetical protein [Xanthomonas campestris pv. raphani 756C]" . . . . . 93.94 124 99.19 99.19 6.24e-83 . . . . 7054 1 6 no REF NP_637080 . "hypothetical protein XCC1710 [Xanthomonas campestris pv. campestris str. ATCC 33913]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 7 no REF WP_011036887 . "hypothetical protein [Xanthomonas campestris]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 8 no REF WP_014507482 . "hypothetical protein [Xanthomonas campestris]" . . . . . 93.94 124 99.19 99.19 6.24e-83 . . . . 7054 1 9 no REF YP_001903954 . "hypothetical protein xccb100_2549 [Xanthomonas campestris pv. campestris str. B100]" . . . . . 93.94 124 100.00 100.00 7.19e-84 . . . . 7054 1 10 no REF YP_005636957 . "hypothetical protein XCR_1946 [Xanthomonas campestris pv. raphani 756C]" . . . . . 93.94 124 99.19 99.19 6.24e-83 . . . . 7054 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 . 7054 1 2 . PRO . 7054 1 3 . LEU . 7054 1 4 . ASN . 7054 1 5 . GLN . 7054 1 6 . GLU . 7054 1 7 . HIS . 7054 1 8 . PRO . 7054 1 9 . ASP . 7054 1 10 . TYR . 7054 1 11 . THR . 7054 1 12 . TYR . 7054 1 13 . ALA . 7054 1 14 . LEU . 7054 1 15 . ARG . 7054 1 16 . ALA . 7054 1 17 . ALA . 7054 1 18 . ASP . 7054 1 19 . GLY . 7054 1 20 . ARG . 7054 1 21 . HIS . 7054 1 22 . ALA . 7054 1 23 . LYS . 7054 1 24 . VAL . 7054 1 25 . ASN . 7054 1 26 . GLU . 7054 1 27 . GLN . 7054 1 28 . ILE . 7054 1 29 . LEU . 7054 1 30 . GLN . 7054 1 31 . GLN . 7054 1 32 . SER . 7054 1 33 . PHE . 7054 1 34 . ILE . 7054 1 35 . LEU . 7054 1 36 . MET . 7054 1 37 . PRO . 7054 1 38 . ASP . 7054 1 39 . GLU . 7054 1 40 . LEU . 7054 1 41 . VAL . 7054 1 42 . GLU . 7054 1 43 . HIS . 7054 1 44 . TRP . 7054 1 45 . PRO . 7054 1 46 . VAL . 7054 1 47 . PRO . 7054 1 48 . SER . 7054 1 49 . LEU . 7054 1 50 . GLY . 7054 1 51 . GLN . 7054 1 52 . LEU . 7054 1 53 . GLN . 7054 1 54 . PRO . 7054 1 55 . ALA . 7054 1 56 . HIS . 7054 1 57 . MET . 7054 1 58 . ASP . 7054 1 59 . ALA . 7054 1 60 . VAL . 7054 1 61 . LEU . 7054 1 62 . ALA . 7054 1 63 . LEU . 7054 1 64 . ASN . 7054 1 65 . PRO . 7054 1 66 . ALA . 7054 1 67 . VAL . 7054 1 68 . ILE . 7054 1 69 . LEU . 7054 1 70 . LEU . 7054 1 71 . GLY . 7054 1 72 . THR . 7054 1 73 . GLY . 7054 1 74 . GLU . 7054 1 75 . ARG . 7054 1 76 . GLN . 7054 1 77 . GLN . 7054 1 78 . PHE . 7054 1 79 . PRO . 7054 1 80 . SER . 7054 1 81 . THR . 7054 1 82 . ASP . 7054 1 83 . VAL . 7054 1 84 . LEU . 7054 1 85 . ALA . 7054 1 86 . ALA . 7054 1 87 . CYS . 7054 1 88 . LEU . 7054 1 89 . THR . 7054 1 90 . ARG . 7054 1 91 . GLY . 7054 1 92 . ILE . 7054 1 93 . GLY . 7054 1 94 . LEU . 7054 1 95 . GLU . 7054 1 96 . ALA . 7054 1 97 . MET . 7054 1 98 . THR . 7054 1 99 . ASN . 7054 1 100 . ALA . 7054 1 101 . ALA . 7054 1 102 . ALA . 7054 1 103 . ALA . 7054 1 104 . ARG . 7054 1 105 . THR . 7054 1 106 . TYR . 7054 1 107 . ASN . 7054 1 108 . VAL . 7054 1 109 . LEU . 7054 1 110 . ALA . 7054 1 111 . SER . 7054 1 112 . GLU . 7054 1 113 . GLY . 7054 1 114 . ARG . 7054 1 115 . ARG . 7054 1 116 . VAL . 7054 1 117 . ALA . 7054 1 118 . LEU . 7054 1 119 . ALA . 7054 1 120 . MET . 7054 1 121 . ILE . 7054 1 122 . VAL . 7054 1 123 . GLY . 7054 1 124 . GLY . 7054 1 125 . LEU . 7054 1 126 . GLU . 7054 1 127 . HIS . 7054 1 128 . HIS . 7054 1 129 . HIS . 7054 1 130 . HIS . 7054 1 131 . HIS . 7054 1 132 . HIS . 7054 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 7054 1 . PRO 2 2 7054 1 . LEU 3 3 7054 1 . ASN 4 4 7054 1 . GLN 5 5 7054 1 . GLU 6 6 7054 1 . HIS 7 7 7054 1 . PRO 8 8 7054 1 . ASP 9 9 7054 1 . TYR 10 10 7054 1 . THR 11 11 7054 1 . TYR 12 12 7054 1 . ALA 13 13 7054 1 . LEU 14 14 7054 1 . ARG 15 15 7054 1 . ALA 16 16 7054 1 . ALA 17 17 7054 1 . ASP 18 18 7054 1 . GLY 19 19 7054 1 . ARG 20 20 7054 1 . HIS 21 21 7054 1 . ALA 22 22 7054 1 . LYS 23 23 7054 1 . VAL 24 24 7054 1 . ASN 25 25 7054 1 . GLU 26 26 7054 1 . GLN 27 27 7054 1 . ILE 28 28 7054 1 . LEU 29 29 7054 1 . GLN 30 30 7054 1 . GLN 31 31 7054 1 . SER 32 32 7054 1 . PHE 33 33 7054 1 . ILE 34 34 7054 1 . LEU 35 35 7054 1 . MET 36 36 7054 1 . PRO 37 37 7054 1 . ASP 38 38 7054 1 . GLU 39 39 7054 1 . LEU 40 40 7054 1 . VAL 41 41 7054 1 . GLU 42 42 7054 1 . HIS 43 43 7054 1 . TRP 44 44 7054 1 . PRO 45 45 7054 1 . VAL 46 46 7054 1 . PRO 47 47 7054 1 . SER 48 48 7054 1 . LEU 49 49 7054 1 . GLY 50 50 7054 1 . GLN 51 51 7054 1 . LEU 52 52 7054 1 . GLN 53 53 7054 1 . PRO 54 54 7054 1 . ALA 55 55 7054 1 . HIS 56 56 7054 1 . MET 57 57 7054 1 . ASP 58 58 7054 1 . ALA 59 59 7054 1 . VAL 60 60 7054 1 . LEU 61 61 7054 1 . ALA 62 62 7054 1 . LEU 63 63 7054 1 . ASN 64 64 7054 1 . PRO 65 65 7054 1 . ALA 66 66 7054 1 . VAL 67 67 7054 1 . ILE 68 68 7054 1 . LEU 69 69 7054 1 . LEU 70 70 7054 1 . GLY 71 71 7054 1 . THR 72 72 7054 1 . GLY 73 73 7054 1 . GLU 74 74 7054 1 . ARG 75 75 7054 1 . GLN 76 76 7054 1 . GLN 77 77 7054 1 . PHE 78 78 7054 1 . PRO 79 79 7054 1 . SER 80 80 7054 1 . THR 81 81 7054 1 . ASP 82 82 7054 1 . VAL 83 83 7054 1 . LEU 84 84 7054 1 . ALA 85 85 7054 1 . ALA 86 86 7054 1 . CYS 87 87 7054 1 . LEU 88 88 7054 1 . THR 89 89 7054 1 . ARG 90 90 7054 1 . GLY 91 91 7054 1 . ILE 92 92 7054 1 . GLY 93 93 7054 1 . LEU 94 94 7054 1 . GLU 95 95 7054 1 . ALA 96 96 7054 1 . MET 97 97 7054 1 . THR 98 98 7054 1 . ASN 99 99 7054 1 . ALA 100 100 7054 1 . ALA 101 101 7054 1 . ALA 102 102 7054 1 . ALA 103 103 7054 1 . ARG 104 104 7054 1 . THR 105 105 7054 1 . TYR 106 106 7054 1 . ASN 107 107 7054 1 . VAL 108 108 7054 1 . LEU 109 109 7054 1 . ALA 110 110 7054 1 . SER 111 111 7054 1 . GLU 112 112 7054 1 . GLY 113 113 7054 1 . ARG 114 114 7054 1 . ARG 115 115 7054 1 . VAL 116 116 7054 1 . ALA 117 117 7054 1 . LEU 118 118 7054 1 . ALA 119 119 7054 1 . MET 120 120 7054 1 . ILE 121 121 7054 1 . VAL 122 122 7054 1 . GLY 123 123 7054 1 . GLY 124 124 7054 1 . LEU 125 125 7054 1 . GLU 126 126 7054 1 . HIS 127 127 7054 1 . HIS 128 128 7054 1 . HIS 129 129 7054 1 . HIS 130 130 7054 1 . HIS 131 131 7054 1 . HIS 132 132 7054 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 7054 _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 $XCC1710 . 339 . no . 'Xanthomonas campestris' . . Eubacteria . Xanthomonas campestris . . . . . . . . . . . . . . . . . . . . . 7054 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $XCC1710 . NP_637080 . . . . . . 7054 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 7054 _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 $XCC1710 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . . . . . . . . . . . 7054 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7054 _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 XCC1710 '[U-13C; U-15N]' . . 1 $XCC1710 . protein 0.5 . . mM 0.1 . . . 7054 1 2 NaCl . . . . . . salt 100 . . mM 5 . . . 7054 1 3 CaCl2 . . . . . . salt 20 . . mM 2 . . . 7054 1 4 DTT . . . . . . 'reducing agent' 10 . . mM 1 . . . 7054 1 5 NaN3 . . . . . . 'antimicrobial agent' 0.02 . . 'w/v %' 0.002 . . . 7054 1 6 D2O . . . . . . solvent 5 . . 'v/v %' .02 . . . 7054 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7054 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XCC1710 '[U-13C; U-15N]' . . 1 $XCC1710 . protein 0.5 . . mM 0.1 . . . 7054 2 2 NaCl . . . . . . salt 100 . . mM 5 . . . 7054 2 3 CaCl2 . . . . . . salt 20 . . mM 2 . . . 7054 2 4 DTT . . . . . . 'reducing agent' 10 . . mM 1 . . . 7054 2 5 NaN3 . . . . . . 'antimicrobial agent' 0.02 . . 'w/v %' 0.002 . . . 7054 2 6 D2O . . . . . . solvent 100 . . 'v/v %' .02 . . . 7054 2 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 7054 _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 7054 1 pressure 1000 50 mbar 7054 1 temperature 298 1 K 7054 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7054 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR_data_collection' 7054 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 7054 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7054 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7054 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 7054 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7054 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7054 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7054 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7054 _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 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 2 '1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 3 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 4 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 5 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 6 HCCH-COSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 7 HC-TOCSY-NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 8 CC-TOCSY-NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 9 HNHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7054 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7054 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7054 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7054 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7054 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7054 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '1H15N HSQC' 1 $sample_1 isotropic 7054 1 2 '1H13C HSQC' 1 $sample_1 isotropic 7054 1 3 HNCACB 1 $sample_1 isotropic 7054 1 4 CBCACONH 1 $sample_1 isotropic 7054 1 5 HCCH-TOCSY 1 $sample_1 isotropic 7054 1 6 HCCH-COSY 1 $sample_1 isotropic 7054 1 7 HC-TOCSY-NH 1 $sample_1 isotropic 7054 1 8 CC-TOCSY-NH 1 $sample_1 isotropic 7054 1 9 HNHA 1 $sample_1 isotropic 7054 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 10 10 TYR HD1 H 1 6.97 0.02 . 3 . . . . 10 TYR HD1 . 7054 1 2 . 1 1 10 10 TYR HE1 H 1 6.60 0.02 . 3 . . . . 10 TYR HE1 . 7054 1 3 . 1 1 10 10 TYR CD1 C 13 133.2 0.2 . 3 . . . . 10 TYR CD1 . 7054 1 4 . 1 1 10 10 TYR CE1 C 13 117.7 0.2 . 3 . . . . 10 TYR CE1 . 7054 1 5 . 1 1 12 12 TYR HD1 H 1 7.00 0.02 . 3 . . . . 12 TYR HD1 . 7054 1 6 . 1 1 12 12 TYR HE1 H 1 6.73 0.02 . 3 . . . . 12 TYR HE1 . 7054 1 7 . 1 1 12 12 TYR CD1 C 13 133.7 0.2 . 3 . . . . 12 TYR CD1 . 7054 1 8 . 1 1 12 12 TYR CE1 C 13 117.9 0.2 . 3 . . . . 12 TYR CE1 . 7054 1 9 . 1 1 14 14 LEU HA H 1 4.78 0.02 . 1 . . . . 14 LEU HA . 7054 1 10 . 1 1 14 14 LEU HG H 1 1.39 0.02 . 1 . . . . 14 LEU HG . 7054 1 11 . 1 1 14 14 LEU HD11 H 1 0.76 0.02 . 1 . . . . 14 LEU HD1 . 7054 1 12 . 1 1 14 14 LEU HD12 H 1 0.76 0.02 . 1 . . . . 14 LEU HD1 . 7054 1 13 . 1 1 14 14 LEU HD13 H 1 0.76 0.02 . 1 . . . . 14 LEU HD1 . 7054 1 14 . 1 1 14 14 LEU HD21 H 1 0.65 0.02 . 1 . . . . 14 LEU HD2 . 7054 1 15 . 1 1 14 14 LEU HD22 H 1 0.65 0.02 . 1 . . . . 14 LEU HD2 . 7054 1 16 . 1 1 14 14 LEU HD23 H 1 0.65 0.02 . 1 . . . . 14 LEU HD2 . 7054 1 17 . 1 1 14 14 LEU CA C 13 53.6 0.2 . 1 . . . . 14 LEU CA . 7054 1 18 . 1 1 14 14 LEU CG C 13 28.1 0.2 . 1 . . . . 14 LEU CG . 7054 1 19 . 1 1 14 14 LEU CD1 C 13 24.8 0.2 . 1 . . . . 14 LEU CD1 . 7054 1 20 . 1 1 14 14 LEU CD2 C 13 27.2 0.2 . 1 . . . . 14 LEU CD2 . 7054 1 21 . 1 1 15 15 ARG HA H 1 4.39 0.02 . 1 . . . . 15 ARG HA . 7054 1 22 . 1 1 15 15 ARG HD2 H 1 3.24 0.02 . 1 . . . . 15 ARG HD2 . 7054 1 23 . 1 1 15 15 ARG HD3 H 1 3.26 0.02 . 1 . . . . 15 ARG HD3 . 7054 1 24 . 1 1 15 15 ARG C C 13 176.3 0.2 . 1 . . . . 15 ARG C . 7054 1 25 . 1 1 15 15 ARG CA C 13 56.8 0.2 . 1 . . . . 15 ARG CA . 7054 1 26 . 1 1 15 15 ARG CB C 13 31.4 0.2 . 1 . . . . 15 ARG CB . 7054 1 27 . 1 1 15 15 ARG CG C 13 27.4 0.2 . 1 . . . . 15 ARG CG . 7054 1 28 . 1 1 15 15 ARG CD C 13 43.1 0.2 . 1 . . . . 15 ARG CD . 7054 1 29 . 1 1 16 16 ALA H H 1 7.45 0.02 . 1 . . . . 16 ALA H . 7054 1 30 . 1 1 16 16 ALA HA H 1 4.43 0.02 . 1 . . . . 16 ALA HA . 7054 1 31 . 1 1 16 16 ALA HB1 H 1 1.37 0.02 . 1 . . . . 16 ALA HB . 7054 1 32 . 1 1 16 16 ALA HB2 H 1 1.37 0.02 . 1 . . . . 16 ALA HB . 7054 1 33 . 1 1 16 16 ALA HB3 H 1 1.37 0.02 . 1 . . . . 16 ALA HB . 7054 1 34 . 1 1 16 16 ALA C C 13 175.6 0.2 . 1 . . . . 16 ALA C . 7054 1 35 . 1 1 16 16 ALA CA C 13 52.4 0.2 . 1 . . . . 16 ALA CA . 7054 1 36 . 1 1 16 16 ALA CB C 13 22.2 0.2 . 1 . . . . 16 ALA CB . 7054 1 37 . 1 1 16 16 ALA N N 15 118.2 0.2 . 1 . . . . 16 ALA N . 7054 1 38 . 1 1 17 17 ALA H H 1 8.24 0.02 . 1 . . . . 17 ALA H . 7054 1 39 . 1 1 17 17 ALA HA H 1 4.55 0.02 . 1 . . . . 17 ALA HA . 7054 1 40 . 1 1 17 17 ALA HB1 H 1 1.30 0.02 . 1 . . . . 17 ALA HB . 7054 1 41 . 1 1 17 17 ALA HB2 H 1 1.30 0.02 . 1 . . . . 17 ALA HB . 7054 1 42 . 1 1 17 17 ALA HB3 H 1 1.30 0.02 . 1 . . . . 17 ALA HB . 7054 1 43 . 1 1 17 17 ALA C C 13 174.5 0.2 . 1 . . . . 17 ALA C . 7054 1 44 . 1 1 17 17 ALA CA C 13 53.3 0.2 . 1 . . . . 17 ALA CA . 7054 1 45 . 1 1 17 17 ALA CB C 13 23.4 0.2 . 1 . . . . 17 ALA CB . 7054 1 46 . 1 1 17 17 ALA N N 15 118.6 0.2 . 1 . . . . 17 ALA N . 7054 1 47 . 1 1 18 18 ASP H H 1 8.87 0.02 . 1 . . . . 18 ASP H . 7054 1 48 . 1 1 18 18 ASP HA H 1 4.63 0.02 . 1 . . . . 18 ASP HA . 7054 1 49 . 1 1 18 18 ASP HB2 H 1 2.99 0.02 . 2 . . . . 18 ASP HB2 . 7054 1 50 . 1 1 18 18 ASP HB3 H 1 3.38 0.02 . 2 . . . . 18 ASP HB3 . 7054 1 51 . 1 1 18 18 ASP C C 13 176.6 0.2 . 1 . . . . 18 ASP C . 7054 1 52 . 1 1 18 18 ASP CA C 13 53.5 0.2 . 1 . . . . 18 ASP CA . 7054 1 53 . 1 1 18 18 ASP CB C 13 41.6 0.2 . 1 . . . . 18 ASP CB . 7054 1 54 . 1 1 18 18 ASP N N 15 120.3 0.2 . 1 . . . . 18 ASP N . 7054 1 55 . 1 1 19 19 GLY H H 1 9.13 0.02 . 1 . . . . 19 GLY H . 7054 1 56 . 1 1 19 19 GLY HA2 H 1 3.90 0.02 . 2 . . . . 19 GLY HA2 . 7054 1 57 . 1 1 19 19 GLY HA3 H 1 3.92 0.02 . 2 . . . . 19 GLY HA3 . 7054 1 58 . 1 1 19 19 GLY C C 13 173.7 0.2 . 1 . . . . 19 GLY C . 7054 1 59 . 1 1 19 19 GLY CA C 13 47.2 0.2 . 1 . . . . 19 GLY CA . 7054 1 60 . 1 1 19 19 GLY N N 15 103.8 0.2 . 1 . . . . 19 GLY N . 7054 1 61 . 1 1 20 20 ARG H H 1 8.65 0.02 . 1 . . . . 20 ARG H . 7054 1 62 . 1 1 20 20 ARG HA H 1 4.51 0.02 . 1 . . . . 20 ARG HA . 7054 1 63 . 1 1 20 20 ARG HB2 H 1 1.86 0.02 . 2 . . . . 20 ARG HB2 . 7054 1 64 . 1 1 20 20 ARG HB3 H 1 1.89 0.02 . 2 . . . . 20 ARG HB3 . 7054 1 65 . 1 1 20 20 ARG C C 13 179.3 0.2 . 1 . . . . 20 ARG C . 7054 1 66 . 1 1 20 20 ARG CA C 13 56.4 0.2 . 1 . . . . 20 ARG CA . 7054 1 67 . 1 1 20 20 ARG CB C 13 32.6 0.2 . 1 . . . . 20 ARG CB . 7054 1 68 . 1 1 20 20 ARG CG C 13 27.5 0.2 . 1 . . . . 20 ARG CG . 7054 1 69 . 1 1 20 20 ARG CD C 13 43.4 0.2 . 1 . . . . 20 ARG CD . 7054 1 70 . 1 1 20 20 ARG N N 15 116.9 0.2 . 1 . . . . 20 ARG N . 7054 1 71 . 1 1 21 21 HIS H H 1 8.26 0.02 . 1 . . . . 21 HIS H . 7054 1 72 . 1 1 21 21 HIS HA H 1 5.29 0.02 . 1 . . . . 21 HIS HA . 7054 1 73 . 1 1 21 21 HIS HB2 H 1 2.95 0.02 . 2 . . . . 21 HIS HB2 . 7054 1 74 . 1 1 21 21 HIS HB3 H 1 3.10 0.02 . 2 . . . . 21 HIS HB3 . 7054 1 75 . 1 1 21 21 HIS HD2 H 1 6.43 0.02 . 1 . . . . 21 HIS HD2 . 7054 1 76 . 1 1 21 21 HIS C C 13 171.2 0.2 . 1 . . . . 21 HIS C . 7054 1 77 . 1 1 21 21 HIS CA C 13 54.7 0.2 . 1 . . . . 21 HIS CA . 7054 1 78 . 1 1 21 21 HIS CB C 13 32.1 0.2 . 1 . . . . 21 HIS CB . 7054 1 79 . 1 1 21 21 HIS CD2 C 13 125.0 0.2 . 1 . . . . 21 HIS CD2 . 7054 1 80 . 1 1 21 21 HIS N N 15 117.2 0.2 . 1 . . . . 21 HIS N . 7054 1 81 . 1 1 22 22 ALA H H 1 8.53 0.02 . 1 . . . . 22 ALA H . 7054 1 82 . 1 1 22 22 ALA HA H 1 4.45 0.02 . 1 . . . . 22 ALA HA . 7054 1 83 . 1 1 22 22 ALA HB1 H 1 1.39 0.02 . 1 . . . . 22 ALA HB . 7054 1 84 . 1 1 22 22 ALA HB2 H 1 1.39 0.02 . 1 . . . . 22 ALA HB . 7054 1 85 . 1 1 22 22 ALA HB3 H 1 1.39 0.02 . 1 . . . . 22 ALA HB . 7054 1 86 . 1 1 22 22 ALA C C 13 174.8 0.2 . 1 . . . . 22 ALA C . 7054 1 87 . 1 1 22 22 ALA CA C 13 51.1 0.2 . 1 . . . . 22 ALA CA . 7054 1 88 . 1 1 22 22 ALA CB C 13 24.7 0.2 . 1 . . . . 22 ALA CB . 7054 1 89 . 1 1 22 22 ALA N N 15 118.2 0.2 . 1 . . . . 22 ALA N . 7054 1 90 . 1 1 23 23 LYS H H 1 8.40 0.02 . 1 . . . . 23 LYS H . 7054 1 91 . 1 1 23 23 LYS HA H 1 5.23 0.02 . 1 . . . . 23 LYS HA . 7054 1 92 . 1 1 23 23 LYS HB2 H 1 1.47 0.02 . 2 . . . . 23 LYS HB2 . 7054 1 93 . 1 1 23 23 LYS HB3 H 1 1.77 0.02 . 2 . . . . 23 LYS HB3 . 7054 1 94 . 1 1 23 23 LYS HG2 H 1 1.54 0.02 . 2 . . . . 23 LYS HG2 . 7054 1 95 . 1 1 23 23 LYS HE2 H 1 2.83 0.02 . 2 . . . . 23 LYS HE2 . 7054 1 96 . 1 1 23 23 LYS HE3 H 1 2.97 0.02 . 2 . . . . 23 LYS HE3 . 7054 1 97 . 1 1 23 23 LYS C C 13 174.8 0.2 . 1 . . . . 23 LYS C . 7054 1 98 . 1 1 23 23 LYS CA C 13 55.0 0.2 . 1 . . . . 23 LYS CA . 7054 1 99 . 1 1 23 23 LYS CB C 13 35.3 0.2 . 1 . . . . 23 LYS CB . 7054 1 100 . 1 1 23 23 LYS N N 15 121.9 0.2 . 1 . . . . 23 LYS N . 7054 1 101 . 1 1 24 24 VAL H H 1 8.56 0.02 . 1 . . . . 24 VAL H . 7054 1 102 . 1 1 24 24 VAL HA H 1 4.64 0.02 . 1 . . . . 24 VAL HA . 7054 1 103 . 1 1 24 24 VAL HB H 1 1.60 0.02 . 1 . . . . 24 VAL HB . 7054 1 104 . 1 1 24 24 VAL HG11 H 1 0.79 0.02 . 1 . . . . 24 VAL HG1 . 7054 1 105 . 1 1 24 24 VAL HG12 H 1 0.79 0.02 . 1 . . . . 24 VAL HG1 . 7054 1 106 . 1 1 24 24 VAL HG13 H 1 0.79 0.02 . 1 . . . . 24 VAL HG1 . 7054 1 107 . 1 1 24 24 VAL HG21 H 1 0.48 0.02 . 1 . . . . 24 VAL HG2 . 7054 1 108 . 1 1 24 24 VAL HG22 H 1 0.48 0.02 . 1 . . . . 24 VAL HG2 . 7054 1 109 . 1 1 24 24 VAL HG23 H 1 0.48 0.02 . 1 . . . . 24 VAL HG2 . 7054 1 110 . 1 1 24 24 VAL CA C 13 60.6 0.2 . 1 . . . . 24 VAL CA . 7054 1 111 . 1 1 24 24 VAL CB C 13 33.4 0.2 . 1 . . . . 24 VAL CB . 7054 1 112 . 1 1 24 24 VAL CG1 C 13 22.4 0.2 . 1 . . . . 24 VAL CG1 . 7054 1 113 . 1 1 24 24 VAL CG2 C 13 21.8 0.2 . 1 . . . . 24 VAL CG2 . 7054 1 114 . 1 1 24 24 VAL N N 15 128.6 0.2 . 1 . . . . 24 VAL N . 7054 1 115 . 1 1 25 25 ASN HA H 1 4.25 0.02 . 1 . . . . 25 ASN HA . 7054 1 116 . 1 1 25 25 ASN HB2 H 1 3.08 0.02 . 2 . . . . 25 ASN HB2 . 7054 1 117 . 1 1 25 25 ASN HB3 H 1 3.54 0.02 . 2 . . . . 25 ASN HB3 . 7054 1 118 . 1 1 25 25 ASN C C 13 174.0 0.2 . 1 . . . . 25 ASN C . 7054 1 119 . 1 1 25 25 ASN CA C 13 55.9 0.2 . 1 . . . . 25 ASN CA . 7054 1 120 . 1 1 25 25 ASN CB C 13 36.0 0.2 . 1 . . . . 25 ASN CB . 7054 1 121 . 1 1 26 26 GLU H H 1 8.47 0.02 . 1 . . . . 26 GLU H . 7054 1 122 . 1 1 26 26 GLU HA H 1 4.51 0.02 . 1 . . . . 26 GLU HA . 7054 1 123 . 1 1 26 26 GLU HB2 H 1 1.85 0.02 . 2 . . . . 26 GLU HB2 . 7054 1 124 . 1 1 26 26 GLU HB3 H 1 2.37 0.02 . 2 . . . . 26 GLU HB3 . 7054 1 125 . 1 1 26 26 GLU HG2 H 1 2.21 0.02 . 2 . . . . 26 GLU HG2 . 7054 1 126 . 1 1 26 26 GLU HG3 H 1 2.34 0.02 . 2 . . . . 26 GLU HG3 . 7054 1 127 . 1 1 26 26 GLU C C 13 176.1 0.2 . 1 . . . . 26 GLU C . 7054 1 128 . 1 1 26 26 GLU CA C 13 55.9 0.2 . 1 . . . . 26 GLU CA . 7054 1 129 . 1 1 26 26 GLU CB C 13 29.6 0.2 . 1 . . . . 26 GLU CB . 7054 1 130 . 1 1 26 26 GLU CG C 13 36.1 0.2 . 1 . . . . 26 GLU CG . 7054 1 131 . 1 1 26 26 GLU N N 15 121.5 0.2 . 1 . . . . 26 GLU N . 7054 1 132 . 1 1 27 27 GLN H H 1 8.68 0.02 . 1 . . . . 27 GLN H . 7054 1 133 . 1 1 27 27 GLN HA H 1 4.42 0.02 . 1 . . . . 27 GLN HA . 7054 1 134 . 1 1 27 27 GLN HB2 H 1 2.04 0.02 . 2 . . . . 27 GLN HB2 . 7054 1 135 . 1 1 27 27 GLN HB3 H 1 2.09 0.02 . 2 . . . . 27 GLN HB3 . 7054 1 136 . 1 1 27 27 GLN HG2 H 1 2.23 0.02 . 2 . . . . 27 GLN HG2 . 7054 1 137 . 1 1 27 27 GLN HG3 H 1 2.32 0.02 . 2 . . . . 27 GLN HG3 . 7054 1 138 . 1 1 27 27 GLN C C 13 174.5 0.2 . 1 . . . . 27 GLN C . 7054 1 139 . 1 1 27 27 GLN CA C 13 55.6 0.2 . 1 . . . . 27 GLN CA . 7054 1 140 . 1 1 27 27 GLN CB C 13 31.1 0.2 . 1 . . . . 27 GLN CB . 7054 1 141 . 1 1 27 27 GLN CG C 13 34.1 0.2 . 1 . . . . 27 GLN CG . 7054 1 142 . 1 1 27 27 GLN N N 15 122.6 0.2 . 1 . . . . 27 GLN N . 7054 1 143 . 1 1 28 28 ILE H H 1 8.66 0.02 . 1 . . . . 28 ILE H . 7054 1 144 . 1 1 28 28 ILE HA H 1 4.67 0.02 . 1 . . . . 28 ILE HA . 7054 1 145 . 1 1 28 28 ILE HB H 1 1.93 0.02 . 1 . . . . 28 ILE HB . 7054 1 146 . 1 1 28 28 ILE HG12 H 1 1.18 0.02 . 2 . . . . 28 ILE HG12 . 7054 1 147 . 1 1 28 28 ILE HG13 H 1 1.57 0.02 . 2 . . . . 28 ILE HG13 . 7054 1 148 . 1 1 28 28 ILE HG21 H 1 0.85 0.02 . 1 . . . . 28 ILE HG2 . 7054 1 149 . 1 1 28 28 ILE HG22 H 1 0.85 0.02 . 1 . . . . 28 ILE HG2 . 7054 1 150 . 1 1 28 28 ILE HG23 H 1 0.85 0.02 . 1 . . . . 28 ILE HG2 . 7054 1 151 . 1 1 28 28 ILE HD11 H 1 0.83 0.02 . 1 . . . . 28 ILE HD1 . 7054 1 152 . 1 1 28 28 ILE HD12 H 1 0.83 0.02 . 1 . . . . 28 ILE HD1 . 7054 1 153 . 1 1 28 28 ILE HD13 H 1 0.83 0.02 . 1 . . . . 28 ILE HD1 . 7054 1 154 . 1 1 28 28 ILE C C 13 175.9 0.2 . 1 . . . . 28 ILE C . 7054 1 155 . 1 1 28 28 ILE CA C 13 60.0 0.2 . 1 . . . . 28 ILE CA . 7054 1 156 . 1 1 28 28 ILE CB C 13 37.5 0.2 . 1 . . . . 28 ILE CB . 7054 1 157 . 1 1 28 28 ILE CG1 C 13 27.7 0.2 . 1 . . . . 28 ILE CG1 . 7054 1 158 . 1 1 28 28 ILE CG2 C 13 17.9 0.2 . 1 . . . . 28 ILE CG2 . 7054 1 159 . 1 1 28 28 ILE CD1 C 13 12.0 0.2 . 1 . . . . 28 ILE CD1 . 7054 1 160 . 1 1 28 28 ILE N N 15 124.3 0.2 . 1 . . . . 28 ILE N . 7054 1 161 . 1 1 29 29 LEU H H 1 9.40 0.02 . 1 . . . . 29 LEU H . 7054 1 162 . 1 1 29 29 LEU HA H 1 4.70 0.02 . 1 . . . . 29 LEU HA . 7054 1 163 . 1 1 29 29 LEU HB2 H 1 1.42 0.02 . 2 . . . . 29 LEU HB2 . 7054 1 164 . 1 1 29 29 LEU HB3 H 1 1.47 0.02 . 2 . . . . 29 LEU HB3 . 7054 1 165 . 1 1 29 29 LEU HG H 1 1.19 0.02 . 1 . . . . 29 LEU HG . 7054 1 166 . 1 1 29 29 LEU HD11 H 1 0.02 0.02 . 1 . . . . 29 LEU HD1 . 7054 1 167 . 1 1 29 29 LEU HD12 H 1 0.02 0.02 . 1 . . . . 29 LEU HD1 . 7054 1 168 . 1 1 29 29 LEU HD13 H 1 0.02 0.02 . 1 . . . . 29 LEU HD1 . 7054 1 169 . 1 1 29 29 LEU HD21 H 1 0.56 0.02 . 1 . . . . 29 LEU HD2 . 7054 1 170 . 1 1 29 29 LEU HD22 H 1 0.56 0.02 . 1 . . . . 29 LEU HD2 . 7054 1 171 . 1 1 29 29 LEU HD23 H 1 0.56 0.02 . 1 . . . . 29 LEU HD2 . 7054 1 172 . 1 1 29 29 LEU C C 13 177.0 0.2 . 1 . . . . 29 LEU C . 7054 1 173 . 1 1 29 29 LEU CA C 13 54.5 0.2 . 1 . . . . 29 LEU CA . 7054 1 174 . 1 1 29 29 LEU CB C 13 42.5 0.2 . 1 . . . . 29 LEU CB . 7054 1 175 . 1 1 29 29 LEU CG C 13 27.8 0.2 . 1 . . . . 29 LEU CG . 7054 1 176 . 1 1 29 29 LEU CD1 C 13 25.3 0.2 . 1 . . . . 29 LEU CD1 . 7054 1 177 . 1 1 29 29 LEU CD2 C 13 24.0 0.2 . 1 . . . . 29 LEU CD2 . 7054 1 178 . 1 1 29 29 LEU N N 15 130.5 0.2 . 1 . . . . 29 LEU N . 7054 1 179 . 1 1 30 30 GLN H H 1 8.96 0.02 . 1 . . . . 30 GLN H . 7054 1 180 . 1 1 30 30 GLN HA H 1 4.70 0.02 . 1 . . . . 30 GLN HA . 7054 1 181 . 1 1 30 30 GLN HB2 H 1 1.93 0.02 . 2 . . . . 30 GLN HB2 . 7054 1 182 . 1 1 30 30 GLN HB3 H 1 2.52 0.02 . 2 . . . . 30 GLN HB3 . 7054 1 183 . 1 1 30 30 GLN HG2 H 1 2.23 0.02 . 2 . . . . 30 GLN HG2 . 7054 1 184 . 1 1 30 30 GLN HG3 H 1 2.28 0.02 . 2 . . . . 30 GLN HG3 . 7054 1 185 . 1 1 30 30 GLN C C 13 173.5 0.2 . 1 . . . . 30 GLN C . 7054 1 186 . 1 1 30 30 GLN CA C 13 55.1 0.2 . 1 . . . . 30 GLN CA . 7054 1 187 . 1 1 30 30 GLN CB C 13 30.9 0.2 . 1 . . . . 30 GLN CB . 7054 1 188 . 1 1 30 30 GLN CG C 13 35.4 0.2 . 1 . . . . 30 GLN CG . 7054 1 189 . 1 1 30 30 GLN N N 15 119.6 0.2 . 1 . . . . 30 GLN N . 7054 1 190 . 1 1 31 31 GLN H H 1 7.32 0.02 . 1 . . . . 31 GLN H . 7054 1 191 . 1 1 31 31 GLN HA H 1 4.79 0.02 . 1 . . . . 31 GLN HA . 7054 1 192 . 1 1 31 31 GLN HB2 H 1 2.12 0.02 . 2 . . . . 31 GLN HB2 . 7054 1 193 . 1 1 31 31 GLN HB3 H 1 2.35 0.02 . 2 . . . . 31 GLN HB3 . 7054 1 194 . 1 1 31 31 GLN HG2 H 1 2.44 0.02 . 2 . . . . 31 GLN HG2 . 7054 1 195 . 1 1 31 31 GLN HG3 H 1 2.52 0.02 . 2 . . . . 31 GLN HG3 . 7054 1 196 . 1 1 31 31 GLN C C 13 174.6 0.2 . 1 . . . . 31 GLN C . 7054 1 197 . 1 1 31 31 GLN CA C 13 54.3 0.2 . 1 . . . . 31 GLN CA . 7054 1 198 . 1 1 31 31 GLN CB C 13 32.4 0.2 . 1 . . . . 31 GLN CB . 7054 1 199 . 1 1 31 31 GLN CG C 13 34.0 0.2 . 1 . . . . 31 GLN CG . 7054 1 200 . 1 1 31 31 GLN N N 15 116.1 0.2 . 1 . . . . 31 GLN N . 7054 1 201 . 1 1 32 32 SER H H 1 8.17 0.02 . 1 . . . . 32 SER H . 7054 1 202 . 1 1 32 32 SER HA H 1 4.81 0.02 . 1 . . . . 32 SER HA . 7054 1 203 . 1 1 32 32 SER HB2 H 1 4.44 0.02 . 2 . . . . 32 SER HB2 . 7054 1 204 . 1 1 32 32 SER HB3 H 1 4.50 0.02 . 2 . . . . 32 SER HB3 . 7054 1 205 . 1 1 32 32 SER HG H 1 5.46 0.02 . 1 . . . . 32 SER HG . 7054 1 206 . 1 1 32 32 SER C C 13 171.5 0.2 . 1 . . . . 32 SER C . 7054 1 207 . 1 1 32 32 SER CA C 13 60.2 0.2 . 1 . . . . 32 SER CA . 7054 1 208 . 1 1 32 32 SER CB C 13 63.4 0.2 . 1 . . . . 32 SER CB . 7054 1 209 . 1 1 32 32 SER N N 15 117.8 0.2 . 1 . . . . 32 SER N . 7054 1 210 . 1 1 33 33 PHE H H 1 8.24 0.02 . 1 . . . . 33 PHE H . 7054 1 211 . 1 1 33 33 PHE HA H 1 5.19 0.02 . 1 . . . . 33 PHE HA . 7054 1 212 . 1 1 33 33 PHE HB2 H 1 3.06 0.02 . 2 . . . . 33 PHE HB2 . 7054 1 213 . 1 1 33 33 PHE HB3 H 1 3.28 0.02 . 2 . . . . 33 PHE HB3 . 7054 1 214 . 1 1 33 33 PHE HD1 H 1 7.15 0.02 . 3 . . . . 33 PHE HD1 . 7054 1 215 . 1 1 33 33 PHE HE1 H 1 6.81 0.02 . 3 . . . . 33 PHE HE1 . 7054 1 216 . 1 1 33 33 PHE HZ H 1 6.62 0.02 . 1 . . . . 33 PHE HZ . 7054 1 217 . 1 1 33 33 PHE C C 13 171.1 0.2 . 1 . . . . 33 PHE C . 7054 1 218 . 1 1 33 33 PHE CA C 13 56.6 0.2 . 1 . . . . 33 PHE CA . 7054 1 219 . 1 1 33 33 PHE CB C 13 41.5 0.2 . 1 . . . . 33 PHE CB . 7054 1 220 . 1 1 33 33 PHE CD1 C 13 132.9 0.2 . 3 . . . . 33 PHE CD1 . 7054 1 221 . 1 1 33 33 PHE CE1 C 13 130.0 0.2 . 3 . . . . 33 PHE CE1 . 7054 1 222 . 1 1 33 33 PHE CZ C 13 128.8 0.2 . 1 . . . . 33 PHE CZ . 7054 1 223 . 1 1 33 33 PHE N N 15 117.9 0.2 . 1 . . . . 33 PHE N . 7054 1 224 . 1 1 34 34 ILE H H 1 8.53 0.02 . 1 . . . . 34 ILE H . 7054 1 225 . 1 1 34 34 ILE HA H 1 4.63 0.02 . 1 . . . . 34 ILE HA . 7054 1 226 . 1 1 34 34 ILE HB H 1 1.20 0.02 . 1 . . . . 34 ILE HB . 7054 1 227 . 1 1 34 34 ILE HG12 H 1 -0.51 0.02 . 2 . . . . 34 ILE HG12 . 7054 1 228 . 1 1 34 34 ILE HG13 H 1 0.73 0.02 . 2 . . . . 34 ILE HG13 . 7054 1 229 . 1 1 34 34 ILE HG21 H 1 0.44 0.02 . 1 . . . . 34 ILE HG2 . 7054 1 230 . 1 1 34 34 ILE HG22 H 1 0.44 0.02 . 1 . . . . 34 ILE HG2 . 7054 1 231 . 1 1 34 34 ILE HG23 H 1 0.44 0.02 . 1 . . . . 34 ILE HG2 . 7054 1 232 . 1 1 34 34 ILE HD11 H 1 -0.09 0.02 . 1 . . . . 34 ILE HD1 . 7054 1 233 . 1 1 34 34 ILE HD12 H 1 -0.09 0.02 . 1 . . . . 34 ILE HD1 . 7054 1 234 . 1 1 34 34 ILE HD13 H 1 -0.09 0.02 . 1 . . . . 34 ILE HD1 . 7054 1 235 . 1 1 34 34 ILE C C 13 173.4 0.2 . 1 . . . . 34 ILE C . 7054 1 236 . 1 1 34 34 ILE CA C 13 59.3 0.2 . 1 . . . . 34 ILE CA . 7054 1 237 . 1 1 34 34 ILE CB C 13 41.4 0.2 . 1 . . . . 34 ILE CB . 7054 1 238 . 1 1 34 34 ILE CG1 C 13 26.3 0.2 . 1 . . . . 34 ILE CG1 . 7054 1 239 . 1 1 34 34 ILE CG2 C 13 18.4 0.2 . 1 . . . . 34 ILE CG2 . 7054 1 240 . 1 1 34 34 ILE CD1 C 13 14.7 0.2 . 1 . . . . 34 ILE CD1 . 7054 1 241 . 1 1 34 34 ILE N N 15 117.2 0.2 . 1 . . . . 34 ILE N . 7054 1 242 . 1 1 35 35 LEU H H 1 9.52 0.02 . 1 . . . . 35 LEU H . 7054 1 243 . 1 1 35 35 LEU HA H 1 5.12 0.02 . 1 . . . . 35 LEU HA . 7054 1 244 . 1 1 35 35 LEU HB2 H 1 1.12 0.02 . 2 . . . . 35 LEU HB2 . 7054 1 245 . 1 1 35 35 LEU HB3 H 1 1.61 0.02 . 2 . . . . 35 LEU HB3 . 7054 1 246 . 1 1 35 35 LEU HG H 1 1.44 0.02 . 1 . . . . 35 LEU HG . 7054 1 247 . 1 1 35 35 LEU HD11 H 1 0.69 0.02 . 1 . . . . 35 LEU HD1 . 7054 1 248 . 1 1 35 35 LEU HD12 H 1 0.69 0.02 . 1 . . . . 35 LEU HD1 . 7054 1 249 . 1 1 35 35 LEU HD13 H 1 0.69 0.02 . 1 . . . . 35 LEU HD1 . 7054 1 250 . 1 1 35 35 LEU HD21 H 1 0.31 0.02 . 1 . . . . 35 LEU HD2 . 7054 1 251 . 1 1 35 35 LEU HD22 H 1 0.31 0.02 . 1 . . . . 35 LEU HD2 . 7054 1 252 . 1 1 35 35 LEU HD23 H 1 0.31 0.02 . 1 . . . . 35 LEU HD2 . 7054 1 253 . 1 1 35 35 LEU C C 13 174.4 0.2 . 1 . . . . 35 LEU C . 7054 1 254 . 1 1 35 35 LEU CA C 13 53.4 0.2 . 1 . . . . 35 LEU CA . 7054 1 255 . 1 1 35 35 LEU CB C 13 48.0 0.2 . 1 . . . . 35 LEU CB . 7054 1 256 . 1 1 35 35 LEU CG C 13 26.6 0.2 . 1 . . . . 35 LEU CG . 7054 1 257 . 1 1 35 35 LEU CD1 C 13 24.9 0.2 . 1 . . . . 35 LEU CD1 . 7054 1 258 . 1 1 35 35 LEU CD2 C 13 28.2 0.2 . 1 . . . . 35 LEU CD2 . 7054 1 259 . 1 1 35 35 LEU N N 15 129.8 0.2 . 1 . . . . 35 LEU N . 7054 1 260 . 1 1 36 36 MET H H 1 9.27 0.02 . 1 . . . . 36 MET H . 7054 1 261 . 1 1 36 36 MET HA H 1 5.51 0.02 . 1 . . . . 36 MET HA . 7054 1 262 . 1 1 36 36 MET HB2 H 1 1.74 0.02 . 2 . . . . 36 MET HB2 . 7054 1 263 . 1 1 36 36 MET HB3 H 1 1.86 0.02 . 2 . . . . 36 MET HB3 . 7054 1 264 . 1 1 36 36 MET HG2 H 1 2.49 0.02 . 2 . . . . 36 MET HG2 . 7054 1 265 . 1 1 36 36 MET HG3 H 1 2.89 0.02 . 2 . . . . 36 MET HG3 . 7054 1 266 . 1 1 36 36 MET HE1 H 1 1.88 0.02 . 1 . . . . 36 MET HE . 7054 1 267 . 1 1 36 36 MET HE2 H 1 1.88 0.02 . 1 . . . . 36 MET HE . 7054 1 268 . 1 1 36 36 MET HE3 H 1 1.88 0.02 . 1 . . . . 36 MET HE . 7054 1 269 . 1 1 36 36 MET CA C 13 54.0 0.2 . 1 . . . . 36 MET CA . 7054 1 270 . 1 1 36 36 MET CB C 13 34.1 0.2 . 1 . . . . 36 MET CB . 7054 1 271 . 1 1 36 36 MET CG C 13 32.4 0.2 . 1 . . . . 36 MET CG . 7054 1 272 . 1 1 36 36 MET CE C 13 16.0 0.2 . 1 . . . . 36 MET CE . 7054 1 273 . 1 1 36 36 MET N N 15 124.5 0.2 . 1 . . . . 36 MET N . 7054 1 274 . 1 1 37 37 PRO C C 13 176.3 0.2 . 1 . . . . 37 PRO C . 7054 1 275 . 1 1 37 37 PRO CA C 13 66.3 0.2 . 1 . . . . 37 PRO CA . 7054 1 276 . 1 1 37 37 PRO CB C 13 32.5 0.2 . 1 . . . . 37 PRO CB . 7054 1 277 . 1 1 38 38 ASP H H 1 8.19 0.02 . 1 . . . . 38 ASP H . 7054 1 278 . 1 1 38 38 ASP HA H 1 5.14 0.02 . 1 . . . . 38 ASP HA . 7054 1 279 . 1 1 38 38 ASP HB2 H 1 2.87 0.02 . 2 . . . . 38 ASP HB2 . 7054 1 280 . 1 1 38 38 ASP HB3 H 1 2.92 0.02 . 2 . . . . 38 ASP HB3 . 7054 1 281 . 1 1 38 38 ASP C C 13 176.3 0.2 . 1 . . . . 38 ASP C . 7054 1 282 . 1 1 38 38 ASP CA C 13 52.4 0.2 . 1 . . . . 38 ASP CA . 7054 1 283 . 1 1 38 38 ASP CB C 13 42.5 0.2 . 1 . . . . 38 ASP CB . 7054 1 284 . 1 1 38 38 ASP N N 15 109.4 0.2 . 1 . . . . 38 ASP N . 7054 1 285 . 1 1 39 39 GLU H H 1 7.91 0.02 . 1 . . . . 39 GLU H . 7054 1 286 . 1 1 39 39 GLU HA H 1 4.64 0.02 . 1 . . . . 39 GLU HA . 7054 1 287 . 1 1 39 39 GLU HB2 H 1 1.70 0.02 . 2 . . . . 39 GLU HB2 . 7054 1 288 . 1 1 39 39 GLU HB3 H 1 1.96 0.02 . 2 . . . . 39 GLU HB3 . 7054 1 289 . 1 1 39 39 GLU HG2 H 1 2.04 0.02 . 2 . . . . 39 GLU HG2 . 7054 1 290 . 1 1 39 39 GLU HG3 H 1 2.13 0.02 . 2 . . . . 39 GLU HG3 . 7054 1 291 . 1 1 39 39 GLU C C 13 171.0 0.2 . 1 . . . . 39 GLU C . 7054 1 292 . 1 1 39 39 GLU CA C 13 57.8 0.2 . 1 . . . . 39 GLU CA . 7054 1 293 . 1 1 39 39 GLU CB C 13 33.7 0.2 . 1 . . . . 39 GLU CB . 7054 1 294 . 1 1 39 39 GLU CG C 13 35.4 0.2 . 1 . . . . 39 GLU CG . 7054 1 295 . 1 1 39 39 GLU N N 15 121.3 0.2 . 1 . . . . 39 GLU N . 7054 1 296 . 1 1 40 40 LEU H H 1 8.18 0.02 . 1 . . . . 40 LEU H . 7054 1 297 . 1 1 40 40 LEU HA H 1 4.83 0.02 . 1 . . . . 40 LEU HA . 7054 1 298 . 1 1 40 40 LEU HB2 H 1 0.32 0.02 . 2 . . . . 40 LEU HB2 . 7054 1 299 . 1 1 40 40 LEU HB3 H 1 1.39 0.02 . 2 . . . . 40 LEU HB3 . 7054 1 300 . 1 1 40 40 LEU HG H 1 1.13 0.02 . 1 . . . . 40 LEU HG . 7054 1 301 . 1 1 40 40 LEU HD11 H 1 0.57 0.02 . 1 . . . . 40 LEU HD1 . 7054 1 302 . 1 1 40 40 LEU HD12 H 1 0.57 0.02 . 1 . . . . 40 LEU HD1 . 7054 1 303 . 1 1 40 40 LEU HD13 H 1 0.57 0.02 . 1 . . . . 40 LEU HD1 . 7054 1 304 . 1 1 40 40 LEU HD21 H 1 0.59 0.02 . 1 . . . . 40 LEU HD2 . 7054 1 305 . 1 1 40 40 LEU HD22 H 1 0.59 0.02 . 1 . . . . 40 LEU HD2 . 7054 1 306 . 1 1 40 40 LEU HD23 H 1 0.59 0.02 . 1 . . . . 40 LEU HD2 . 7054 1 307 . 1 1 40 40 LEU C C 13 175.5 0.2 . 1 . . . . 40 LEU C . 7054 1 308 . 1 1 40 40 LEU CA C 13 53.7 0.2 . 1 . . . . 40 LEU CA . 7054 1 309 . 1 1 40 40 LEU CB C 13 43.5 0.2 . 1 . . . . 40 LEU CB . 7054 1 310 . 1 1 40 40 LEU CG C 13 28.2 0.2 . 1 . . . . 40 LEU CG . 7054 1 311 . 1 1 40 40 LEU CD1 C 13 23.4 0.2 . 1 . . . . 40 LEU CD1 . 7054 1 312 . 1 1 40 40 LEU CD2 C 13 26.0 0.2 . 1 . . . . 40 LEU CD2 . 7054 1 313 . 1 1 40 40 LEU N N 15 126.4 0.2 . 1 . . . . 40 LEU N . 7054 1 314 . 1 1 41 41 VAL H H 1 9.57 0.02 . 1 . . . . 41 VAL H . 7054 1 315 . 1 1 41 41 VAL HA H 1 4.20 0.02 . 1 . . . . 41 VAL HA . 7054 1 316 . 1 1 41 41 VAL HB H 1 2.11 0.02 . 1 . . . . 41 VAL HB . 7054 1 317 . 1 1 41 41 VAL HG11 H 1 0.94 0.02 . 1 . . . . 41 VAL HG1 . 7054 1 318 . 1 1 41 41 VAL HG12 H 1 0.94 0.02 . 1 . . . . 41 VAL HG1 . 7054 1 319 . 1 1 41 41 VAL HG13 H 1 0.94 0.02 . 1 . . . . 41 VAL HG1 . 7054 1 320 . 1 1 41 41 VAL HG21 H 1 0.82 0.02 . 1 . . . . 41 VAL HG2 . 7054 1 321 . 1 1 41 41 VAL HG22 H 1 0.82 0.02 . 1 . . . . 41 VAL HG2 . 7054 1 322 . 1 1 41 41 VAL HG23 H 1 0.82 0.02 . 1 . . . . 41 VAL HG2 . 7054 1 323 . 1 1 41 41 VAL C C 13 175.1 0.2 . 1 . . . . 41 VAL C . 7054 1 324 . 1 1 41 41 VAL CA C 13 61.8 0.2 . 1 . . . . 41 VAL CA . 7054 1 325 . 1 1 41 41 VAL CB C 13 32.0 0.2 . 1 . . . . 41 VAL CB . 7054 1 326 . 1 1 41 41 VAL CG1 C 13 20.8 0.2 . 1 . . . . 41 VAL CG1 . 7054 1 327 . 1 1 41 41 VAL CG2 C 13 19.7 0.2 . 1 . . . . 41 VAL CG2 . 7054 1 328 . 1 1 41 41 VAL N N 15 131.3 0.2 . 1 . . . . 41 VAL N . 7054 1 329 . 1 1 42 42 GLU H H 1 8.49 0.02 . 1 . . . . 42 GLU H . 7054 1 330 . 1 1 42 42 GLU HA H 1 4.10 0.02 . 1 . . . . 42 GLU HA . 7054 1 331 . 1 1 42 42 GLU HB2 H 1 1.68 0.02 . 2 . . . . 42 GLU HB2 . 7054 1 332 . 1 1 42 42 GLU HB3 H 1 1.72 0.02 . 2 . . . . 42 GLU HB3 . 7054 1 333 . 1 1 42 42 GLU HG2 H 1 1.93 0.02 . 2 . . . . 42 GLU HG2 . 7054 1 334 . 1 1 42 42 GLU HG3 H 1 2.09 0.02 . 2 . . . . 42 GLU HG3 . 7054 1 335 . 1 1 42 42 GLU C C 13 175.4 0.2 . 1 . . . . 42 GLU C . 7054 1 336 . 1 1 42 42 GLU CA C 13 58.0 0.2 . 1 . . . . 42 GLU CA . 7054 1 337 . 1 1 42 42 GLU CB C 13 31.7 0.2 . 1 . . . . 42 GLU CB . 7054 1 338 . 1 1 42 42 GLU CG C 13 37.9 0.2 . 1 . . . . 42 GLU CG . 7054 1 339 . 1 1 42 42 GLU N N 15 124.0 0.2 . 1 . . . . 42 GLU N . 7054 1 340 . 1 1 43 43 HIS H H 1 8.89 0.02 . 1 . . . . 43 HIS H . 7054 1 341 . 1 1 43 43 HIS HA H 1 4.71 0.02 . 1 . . . . 43 HIS HA . 7054 1 342 . 1 1 43 43 HIS HB2 H 1 3.16 0.02 . 2 . . . . 43 HIS HB2 . 7054 1 343 . 1 1 43 43 HIS HB3 H 1 3.24 0.02 . 2 . . . . 43 HIS HB3 . 7054 1 344 . 1 1 43 43 HIS C C 13 174.2 0.2 . 1 . . . . 43 HIS C . 7054 1 345 . 1 1 43 43 HIS CA C 13 55.0 0.2 . 1 . . . . 43 HIS CA . 7054 1 346 . 1 1 43 43 HIS CB C 13 28.2 0.2 . 1 . . . . 43 HIS CB . 7054 1 347 . 1 1 43 43 HIS N N 15 114.8 0.2 . 1 . . . . 43 HIS N . 7054 1 348 . 1 1 44 44 TRP H H 1 8.14 0.02 . 1 . . . . 44 TRP H . 7054 1 349 . 1 1 44 44 TRP HA H 1 5.02 0.02 . 1 . . . . 44 TRP HA . 7054 1 350 . 1 1 44 44 TRP HB2 H 1 2.61 0.02 . 2 . . . . 44 TRP HB2 . 7054 1 351 . 1 1 44 44 TRP HB3 H 1 2.99 0.02 . 2 . . . . 44 TRP HB3 . 7054 1 352 . 1 1 44 44 TRP HD1 H 1 7.35 0.02 . 1 . . . . 44 TRP HD1 . 7054 1 353 . 1 1 44 44 TRP HE1 H 1 10.20 0.02 . 1 . . . . 44 TRP HE1 . 7054 1 354 . 1 1 44 44 TRP HE3 H 1 7.07 0.02 . 1 . . . . 44 TRP HE3 . 7054 1 355 . 1 1 44 44 TRP HZ2 H 1 7.00 0.02 . 1 . . . . 44 TRP HZ2 . 7054 1 356 . 1 1 44 44 TRP HZ3 H 1 6.37 0.02 . 1 . . . . 44 TRP HZ3 . 7054 1 357 . 1 1 44 44 TRP HH2 H 1 6.61 0.02 . 1 . . . . 44 TRP HH2 . 7054 1 358 . 1 1 44 44 TRP CA C 13 53.5 0.2 . 1 . . . . 44 TRP CA . 7054 1 359 . 1 1 44 44 TRP CB C 13 28.8 0.2 . 1 . . . . 44 TRP CB . 7054 1 360 . 1 1 44 44 TRP CD1 C 13 125.0 0.2 . 1 . . . . 44 TRP CD1 . 7054 1 361 . 1 1 44 44 TRP CE3 C 13 121.0 0.2 . 1 . . . . 44 TRP CE3 . 7054 1 362 . 1 1 44 44 TRP CZ2 C 13 113.5 0.2 . 1 . . . . 44 TRP CZ2 . 7054 1 363 . 1 1 44 44 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 44 TRP CZ3 . 7054 1 364 . 1 1 44 44 TRP CH2 C 13 123.9 0.2 . 1 . . . . 44 TRP CH2 . 7054 1 365 . 1 1 44 44 TRP N N 15 127.8 0.2 . 1 . . . . 44 TRP N . 7054 1 366 . 1 1 44 44 TRP NE1 N 15 127.7 0.2 . 1 . . . . 44 TRP NE1 . 7054 1 367 . 1 1 45 45 PRO HA H 1 4.38 0.02 . 1 . . . . 45 PRO HA . 7054 1 368 . 1 1 45 45 PRO HB2 H 1 1.69 0.02 . 2 . . . . 45 PRO HB2 . 7054 1 369 . 1 1 45 45 PRO HB3 H 1 2.29 0.02 . 2 . . . . 45 PRO HB3 . 7054 1 370 . 1 1 45 45 PRO HG2 H 1 2.04 0.02 . 2 . . . . 45 PRO HG2 . 7054 1 371 . 1 1 45 45 PRO HD2 H 1 3.61 0.02 . 2 . . . . 45 PRO HD2 . 7054 1 372 . 1 1 45 45 PRO HD3 H 1 3.66 0.02 . 2 . . . . 45 PRO HD3 . 7054 1 373 . 1 1 45 45 PRO C C 13 173.4 0.2 . 1 . . . . 45 PRO C . 7054 1 374 . 1 1 45 45 PRO CA C 13 63.8 0.2 . 1 . . . . 45 PRO CA . 7054 1 375 . 1 1 45 45 PRO CB C 13 28.3 0.2 . 1 . . . . 45 PRO CB . 7054 1 376 . 1 1 45 45 PRO CG C 13 27.8 0.2 . 1 . . . . 45 PRO CG . 7054 1 377 . 1 1 45 45 PRO CD C 13 50.8 0.2 . 1 . . . . 45 PRO CD . 7054 1 378 . 1 1 46 46 VAL H H 1 8.07 0.02 . 1 . . . . 46 VAL H . 7054 1 379 . 1 1 46 46 VAL HA H 1 3.57 0.02 . 1 . . . . 46 VAL HA . 7054 1 380 . 1 1 46 46 VAL HB H 1 0.61 0.02 . 1 . . . . 46 VAL HB . 7054 1 381 . 1 1 46 46 VAL HG11 H 1 -0.02 0.02 . 1 . . . . 46 VAL HG1 . 7054 1 382 . 1 1 46 46 VAL HG12 H 1 -0.02 0.02 . 1 . . . . 46 VAL HG1 . 7054 1 383 . 1 1 46 46 VAL HG13 H 1 -0.02 0.02 . 1 . . . . 46 VAL HG1 . 7054 1 384 . 1 1 46 46 VAL HG21 H 1 -1.36 0.02 . 1 . . . . 46 VAL HG2 . 7054 1 385 . 1 1 46 46 VAL HG22 H 1 -1.36 0.02 . 1 . . . . 46 VAL HG2 . 7054 1 386 . 1 1 46 46 VAL HG23 H 1 -1.36 0.02 . 1 . . . . 46 VAL HG2 . 7054 1 387 . 1 1 46 46 VAL CA C 13 59.1 0.2 . 1 . . . . 46 VAL CA . 7054 1 388 . 1 1 46 46 VAL CB C 13 33.4 0.2 . 1 . . . . 46 VAL CB . 7054 1 389 . 1 1 46 46 VAL CG1 C 13 22.1 0.2 . 1 . . . . 46 VAL CG1 . 7054 1 390 . 1 1 46 46 VAL CG2 C 13 17.6 0.2 . 1 . . . . 46 VAL CG2 . 7054 1 391 . 1 1 46 46 VAL N N 15 123.8 0.2 . 1 . . . . 46 VAL N . 7054 1 392 . 1 1 47 47 PRO HA H 1 4.42 0.02 . 1 . . . . 47 PRO HA . 7054 1 393 . 1 1 47 47 PRO HB2 H 1 1.88 0.02 . 2 . . . . 47 PRO HB2 . 7054 1 394 . 1 1 47 47 PRO HB3 H 1 2.23 0.02 . 2 . . . . 47 PRO HB3 . 7054 1 395 . 1 1 47 47 PRO HG2 H 1 1.87 0.02 . 2 . . . . 47 PRO HG2 . 7054 1 396 . 1 1 47 47 PRO HD2 H 1 3.26 0.02 . 2 . . . . 47 PRO HD2 . 7054 1 397 . 1 1 47 47 PRO HD3 H 1 3.57 0.02 . 2 . . . . 47 PRO HD3 . 7054 1 398 . 1 1 47 47 PRO C C 13 175.8 0.2 . 1 . . . . 47 PRO C . 7054 1 399 . 1 1 47 47 PRO CA C 13 63.5 0.2 . 1 . . . . 47 PRO CA . 7054 1 400 . 1 1 47 47 PRO CB C 13 32.3 0.2 . 1 . . . . 47 PRO CB . 7054 1 401 . 1 1 47 47 PRO CG C 13 27.1 0.2 . 1 . . . . 47 PRO CG . 7054 1 402 . 1 1 47 47 PRO CD C 13 50.9 0.2 . 1 . . . . 47 PRO CD . 7054 1 403 . 1 1 48 48 SER H H 1 6.77 0.02 . 1 . . . . 48 SER H . 7054 1 404 . 1 1 48 48 SER HA H 1 4.24 0.02 . 1 . . . . 48 SER HA . 7054 1 405 . 1 1 48 48 SER HB2 H 1 3.90 0.02 . 2 . . . . 48 SER HB2 . 7054 1 406 . 1 1 48 48 SER HB3 H 1 3.92 0.02 . 2 . . . . 48 SER HB3 . 7054 1 407 . 1 1 48 48 SER C C 13 173.7 0.2 . 1 . . . . 48 SER C . 7054 1 408 . 1 1 48 48 SER CA C 13 57.1 0.2 . 1 . . . . 48 SER CA . 7054 1 409 . 1 1 48 48 SER CB C 13 64.9 0.2 . 1 . . . . 48 SER CB . 7054 1 410 . 1 1 48 48 SER N N 15 106.6 0.2 . 1 . . . . 48 SER N . 7054 1 411 . 1 1 49 49 LEU H H 1 9.03 0.02 . 1 . . . . 49 LEU H . 7054 1 412 . 1 1 49 49 LEU HA H 1 3.90 0.02 . 1 . . . . 49 LEU HA . 7054 1 413 . 1 1 49 49 LEU HB2 H 1 1.48 0.02 . 2 . . . . 49 LEU HB2 . 7054 1 414 . 1 1 49 49 LEU HB3 H 1 1.80 0.02 . 2 . . . . 49 LEU HB3 . 7054 1 415 . 1 1 49 49 LEU HG H 1 1.71 0.02 . 1 . . . . 49 LEU HG . 7054 1 416 . 1 1 49 49 LEU HD11 H 1 0.76 0.02 . 1 . . . . 49 LEU HD1 . 7054 1 417 . 1 1 49 49 LEU HD12 H 1 0.76 0.02 . 1 . . . . 49 LEU HD1 . 7054 1 418 . 1 1 49 49 LEU HD13 H 1 0.76 0.02 . 1 . . . . 49 LEU HD1 . 7054 1 419 . 1 1 49 49 LEU HD21 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 7054 1 420 . 1 1 49 49 LEU HD22 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 7054 1 421 . 1 1 49 49 LEU HD23 H 1 0.79 0.02 . 1 . . . . 49 LEU HD2 . 7054 1 422 . 1 1 49 49 LEU C C 13 179.6 0.2 . 1 . . . . 49 LEU C . 7054 1 423 . 1 1 49 49 LEU CA C 13 57.1 0.2 . 1 . . . . 49 LEU CA . 7054 1 424 . 1 1 49 49 LEU CB C 13 41.0 0.2 . 1 . . . . 49 LEU CB . 7054 1 425 . 1 1 49 49 LEU CG C 13 27.1 0.2 . 1 . . . . 49 LEU CG . 7054 1 426 . 1 1 49 49 LEU CD1 C 13 24.0 0.2 . 1 . . . . 49 LEU CD1 . 7054 1 427 . 1 1 49 49 LEU CD2 C 13 25.2 0.2 . 1 . . . . 49 LEU CD2 . 7054 1 428 . 1 1 49 49 LEU N N 15 123.9 0.2 . 1 . . . . 49 LEU N . 7054 1 429 . 1 1 50 50 GLY H H 1 8.68 0.02 . 1 . . . . 50 GLY H . 7054 1 430 . 1 1 50 50 GLY HA2 H 1 3.85 0.02 . 2 . . . . 50 GLY HA2 . 7054 1 431 . 1 1 50 50 GLY HA3 H 1 3.88 0.02 . 2 . . . . 50 GLY HA3 . 7054 1 432 . 1 1 50 50 GLY C C 13 174.6 0.2 . 1 . . . . 50 GLY C . 7054 1 433 . 1 1 50 50 GLY CA C 13 46.4 0.2 . 1 . . . . 50 GLY CA . 7054 1 434 . 1 1 50 50 GLY N N 15 106.2 0.2 . 1 . . . . 50 GLY N . 7054 1 435 . 1 1 51 51 GLN H H 1 7.14 0.02 . 1 . . . . 51 GLN H . 7054 1 436 . 1 1 51 51 GLN HA H 1 4.35 0.02 . 1 . . . . 51 GLN HA . 7054 1 437 . 1 1 51 51 GLN HB2 H 1 1.62 0.02 . 2 . . . . 51 GLN HB2 . 7054 1 438 . 1 1 51 51 GLN HB3 H 1 2.46 0.02 . 2 . . . . 51 GLN HB3 . 7054 1 439 . 1 1 51 51 GLN HG2 H 1 2.11 0.02 . 2 . . . . 51 GLN HG2 . 7054 1 440 . 1 1 51 51 GLN HG3 H 1 2.27 0.02 . 2 . . . . 51 GLN HG3 . 7054 1 441 . 1 1 51 51 GLN C C 13 174.7 0.2 . 1 . . . . 51 GLN C . 7054 1 442 . 1 1 51 51 GLN CA C 13 55.2 0.2 . 1 . . . . 51 GLN CA . 7054 1 443 . 1 1 51 51 GLN CB C 13 30.7 0.2 . 1 . . . . 51 GLN CB . 7054 1 444 . 1 1 51 51 GLN CG C 13 35.0 0.2 . 1 . . . . 51 GLN CG . 7054 1 445 . 1 1 51 51 GLN N N 15 116.5 0.2 . 1 . . . . 51 GLN N . 7054 1 446 . 1 1 52 52 LEU H H 1 7.36 0.02 . 1 . . . . 52 LEU H . 7054 1 447 . 1 1 52 52 LEU HA H 1 4.35 0.02 . 1 . . . . 52 LEU HA . 7054 1 448 . 1 1 52 52 LEU HB2 H 1 1.21 0.02 . 2 . . . . 52 LEU HB2 . 7054 1 449 . 1 1 52 52 LEU HB3 H 1 2.21 0.02 . 2 . . . . 52 LEU HB3 . 7054 1 450 . 1 1 52 52 LEU HG H 1 1.51 0.02 . 1 . . . . 52 LEU HG . 7054 1 451 . 1 1 52 52 LEU HD11 H 1 1.00 0.02 . 1 . . . . 52 LEU HD1 . 7054 1 452 . 1 1 52 52 LEU HD12 H 1 1.00 0.02 . 1 . . . . 52 LEU HD1 . 7054 1 453 . 1 1 52 52 LEU HD13 H 1 1.00 0.02 . 1 . . . . 52 LEU HD1 . 7054 1 454 . 1 1 52 52 LEU HD21 H 1 0.99 0.02 . 1 . . . . 52 LEU HD2 . 7054 1 455 . 1 1 52 52 LEU HD22 H 1 0.99 0.02 . 1 . . . . 52 LEU HD2 . 7054 1 456 . 1 1 52 52 LEU HD23 H 1 0.99 0.02 . 1 . . . . 52 LEU HD2 . 7054 1 457 . 1 1 52 52 LEU C C 13 175.7 0.2 . 1 . . . . 52 LEU C . 7054 1 458 . 1 1 52 52 LEU CA C 13 56.0 0.2 . 1 . . . . 52 LEU CA . 7054 1 459 . 1 1 52 52 LEU CB C 13 42.0 0.2 . 1 . . . . 52 LEU CB . 7054 1 460 . 1 1 52 52 LEU CG C 13 27.2 0.2 . 1 . . . . 52 LEU CG . 7054 1 461 . 1 1 52 52 LEU CD1 C 13 25.8 0.2 . 1 . . . . 52 LEU CD1 . 7054 1 462 . 1 1 52 52 LEU CD2 C 13 27.9 0.2 . 1 . . . . 52 LEU CD2 . 7054 1 463 . 1 1 52 52 LEU N N 15 123.0 0.2 . 1 . . . . 52 LEU N . 7054 1 464 . 1 1 53 53 GLN H H 1 11.15 0.02 . 1 . . . . 53 GLN H . 7054 1 465 . 1 1 53 53 GLN HA H 1 4.88 0.02 . 1 . . . . 53 GLN HA . 7054 1 466 . 1 1 53 53 GLN HB2 H 1 1.43 0.02 . 2 . . . . 53 GLN HB2 . 7054 1 467 . 1 1 53 53 GLN HB3 H 1 2.23 0.02 . 2 . . . . 53 GLN HB3 . 7054 1 468 . 1 1 53 53 GLN HG2 H 1 2.41 0.02 . 2 . . . . 53 GLN HG2 . 7054 1 469 . 1 1 53 53 GLN HG3 H 1 2.43 0.02 . 2 . . . . 53 GLN HG3 . 7054 1 470 . 1 1 53 53 GLN CA C 13 53.3 0.2 . 1 . . . . 53 GLN CA . 7054 1 471 . 1 1 53 53 GLN CB C 13 29.5 0.2 . 1 . . . . 53 GLN CB . 7054 1 472 . 1 1 53 53 GLN N N 15 131.6 0.2 . 1 . . . . 53 GLN N . 7054 1 473 . 1 1 54 54 PRO HA H 1 3.91 0.02 . 1 . . . . 54 PRO HA . 7054 1 474 . 1 1 54 54 PRO HB2 H 1 2.01 0.02 . 2 . . . . 54 PRO HB2 . 7054 1 475 . 1 1 54 54 PRO HB3 H 1 2.21 0.02 . 2 . . . . 54 PRO HB3 . 7054 1 476 . 1 1 54 54 PRO HG2 H 1 1.57 0.02 . 2 . . . . 54 PRO HG2 . 7054 1 477 . 1 1 54 54 PRO HG3 H 1 2.29 0.02 . 2 . . . . 54 PRO HG3 . 7054 1 478 . 1 1 54 54 PRO HD2 H 1 3.73 0.02 . 2 . . . . 54 PRO HD2 . 7054 1 479 . 1 1 54 54 PRO HD3 H 1 3.88 0.02 . 2 . . . . 54 PRO HD3 . 7054 1 480 . 1 1 54 54 PRO C C 13 179.2 0.2 . 1 . . . . 54 PRO C . 7054 1 481 . 1 1 54 54 PRO CA C 13 67.1 0.2 . 1 . . . . 54 PRO CA . 7054 1 482 . 1 1 54 54 PRO CB C 13 31.5 0.2 . 1 . . . . 54 PRO CB . 7054 1 483 . 1 1 54 54 PRO CG C 13 28.6 0.2 . 1 . . . . 54 PRO CG . 7054 1 484 . 1 1 54 54 PRO CD C 13 50.1 0.2 . 1 . . . . 54 PRO CD . 7054 1 485 . 1 1 55 55 ALA H H 1 8.39 0.02 . 1 . . . . 55 ALA H . 7054 1 486 . 1 1 55 55 ALA HA H 1 4.13 0.02 . 1 . . . . 55 ALA HA . 7054 1 487 . 1 1 55 55 ALA HB1 H 1 1.22 0.02 . 1 . . . . 55 ALA HB . 7054 1 488 . 1 1 55 55 ALA HB2 H 1 1.22 0.02 . 1 . . . . 55 ALA HB . 7054 1 489 . 1 1 55 55 ALA HB3 H 1 1.22 0.02 . 1 . . . . 55 ALA HB . 7054 1 490 . 1 1 55 55 ALA C C 13 180.9 0.2 . 1 . . . . 55 ALA C . 7054 1 491 . 1 1 55 55 ALA CA C 13 54.9 0.2 . 1 . . . . 55 ALA CA . 7054 1 492 . 1 1 55 55 ALA CB C 13 18.4 0.2 . 1 . . . . 55 ALA CB . 7054 1 493 . 1 1 55 55 ALA N N 15 118.0 0.2 . 1 . . . . 55 ALA N . 7054 1 494 . 1 1 56 56 HIS H H 1 7.61 0.02 . 1 . . . . 56 HIS H . 7054 1 495 . 1 1 56 56 HIS HA H 1 4.51 0.02 . 1 . . . . 56 HIS HA . 7054 1 496 . 1 1 56 56 HIS HB2 H 1 2.85 0.02 . 2 . . . . 56 HIS HB2 . 7054 1 497 . 1 1 56 56 HIS HB3 H 1 3.44 0.02 . 2 . . . . 56 HIS HB3 . 7054 1 498 . 1 1 56 56 HIS HD2 H 1 6.80 0.02 . 1 . . . . 56 HIS HD2 . 7054 1 499 . 1 1 56 56 HIS C C 13 178.7 0.2 . 1 . . . . 56 HIS C . 7054 1 500 . 1 1 56 56 HIS CA C 13 59.9 0.2 . 1 . . . . 56 HIS CA . 7054 1 501 . 1 1 56 56 HIS CB C 13 31.8 0.2 . 1 . . . . 56 HIS CB . 7054 1 502 . 1 1 56 56 HIS CD2 C 13 115.6 0.2 . 1 . . . . 56 HIS CD2 . 7054 1 503 . 1 1 56 56 HIS N N 15 116.9 0.2 . 1 . . . . 56 HIS N . 7054 1 504 . 1 1 57 57 MET H H 1 7.88 0.02 . 1 . . . . 57 MET H . 7054 1 505 . 1 1 57 57 MET HA H 1 4.88 0.02 . 1 . . . . 57 MET HA . 7054 1 506 . 1 1 57 57 MET HB2 H 1 2.11 0.02 . 2 . . . . 57 MET HB2 . 7054 1 507 . 1 1 57 57 MET HB3 H 1 2.35 0.02 . 2 . . . . 57 MET HB3 . 7054 1 508 . 1 1 57 57 MET HG2 H 1 2.61 0.02 . 2 . . . . 57 MET HG2 . 7054 1 509 . 1 1 57 57 MET HG3 H 1 2.65 0.02 . 2 . . . . 57 MET HG3 . 7054 1 510 . 1 1 57 57 MET HE1 H 1 1.87 0.02 . 1 . . . . 57 MET HE . 7054 1 511 . 1 1 57 57 MET HE2 H 1 1.87 0.02 . 1 . . . . 57 MET HE . 7054 1 512 . 1 1 57 57 MET HE3 H 1 1.87 0.02 . 1 . . . . 57 MET HE . 7054 1 513 . 1 1 57 57 MET C C 13 179.0 0.2 . 1 . . . . 57 MET C . 7054 1 514 . 1 1 57 57 MET CA C 13 54.3 0.2 . 1 . . . . 57 MET CA . 7054 1 515 . 1 1 57 57 MET CB C 13 28.5 0.2 . 1 . . . . 57 MET CB . 7054 1 516 . 1 1 57 57 MET CG C 13 32.3 0.2 . 1 . . . . 57 MET CG . 7054 1 517 . 1 1 57 57 MET CE C 13 15.7 0.2 . 1 . . . . 57 MET CE . 7054 1 518 . 1 1 57 57 MET N N 15 112.9 0.2 . 1 . . . . 57 MET N . 7054 1 519 . 1 1 58 58 ASP H H 1 7.86 0.02 . 1 . . . . 58 ASP H . 7054 1 520 . 1 1 58 58 ASP HA H 1 4.40 0.02 . 1 . . . . 58 ASP HA . 7054 1 521 . 1 1 58 58 ASP HB2 H 1 2.67 0.02 . 2 . . . . 58 ASP HB2 . 7054 1 522 . 1 1 58 58 ASP HB3 H 1 2.86 0.02 . 2 . . . . 58 ASP HB3 . 7054 1 523 . 1 1 58 58 ASP C C 13 178.5 0.2 . 1 . . . . 58 ASP C . 7054 1 524 . 1 1 58 58 ASP CA C 13 58.6 0.2 . 1 . . . . 58 ASP CA . 7054 1 525 . 1 1 58 58 ASP CB C 13 39.6 0.2 . 1 . . . . 58 ASP CB . 7054 1 526 . 1 1 58 58 ASP N N 15 122.9 0.2 . 1 . . . . 58 ASP N . 7054 1 527 . 1 1 59 59 ALA H H 1 7.83 0.02 . 1 . . . . 59 ALA H . 7054 1 528 . 1 1 59 59 ALA HA H 1 4.12 0.02 . 1 . . . . 59 ALA HA . 7054 1 529 . 1 1 59 59 ALA HB1 H 1 1.50 0.02 . 1 . . . . 59 ALA HB . 7054 1 530 . 1 1 59 59 ALA HB2 H 1 1.50 0.02 . 1 . . . . 59 ALA HB . 7054 1 531 . 1 1 59 59 ALA HB3 H 1 1.50 0.02 . 1 . . . . 59 ALA HB . 7054 1 532 . 1 1 59 59 ALA C C 13 177.9 0.2 . 1 . . . . 59 ALA C . 7054 1 533 . 1 1 59 59 ALA CA C 13 54.6 0.2 . 1 . . . . 59 ALA CA . 7054 1 534 . 1 1 59 59 ALA CB C 13 19.0 0.2 . 1 . . . . 59 ALA CB . 7054 1 535 . 1 1 59 59 ALA N N 15 120.3 0.2 . 1 . . . . 59 ALA N . 7054 1 536 . 1 1 60 60 VAL H H 1 6.96 0.02 . 1 . . . . 60 VAL H . 7054 1 537 . 1 1 60 60 VAL HA H 1 3.56 0.02 . 1 . . . . 60 VAL HA . 7054 1 538 . 1 1 60 60 VAL HB H 1 2.05 0.02 . 1 . . . . 60 VAL HB . 7054 1 539 . 1 1 60 60 VAL HG11 H 1 0.66 0.02 . 1 . . . . 60 VAL HG1 . 7054 1 540 . 1 1 60 60 VAL HG12 H 1 0.66 0.02 . 1 . . . . 60 VAL HG1 . 7054 1 541 . 1 1 60 60 VAL HG13 H 1 0.66 0.02 . 1 . . . . 60 VAL HG1 . 7054 1 542 . 1 1 60 60 VAL HG21 H 1 0.53 0.02 . 1 . . . . 60 VAL HG2 . 7054 1 543 . 1 1 60 60 VAL HG22 H 1 0.53 0.02 . 1 . . . . 60 VAL HG2 . 7054 1 544 . 1 1 60 60 VAL HG23 H 1 0.53 0.02 . 1 . . . . 60 VAL HG2 . 7054 1 545 . 1 1 60 60 VAL C C 13 177.8 0.2 . 1 . . . . 60 VAL C . 7054 1 546 . 1 1 60 60 VAL CA C 13 64.0 0.2 . 1 . . . . 60 VAL CA . 7054 1 547 . 1 1 60 60 VAL CB C 13 32.4 0.2 . 1 . . . . 60 VAL CB . 7054 1 548 . 1 1 60 60 VAL CG1 C 13 22.8 0.2 . 1 . . . . 60 VAL CG1 . 7054 1 549 . 1 1 60 60 VAL CG2 C 13 21.7 0.2 . 1 . . . . 60 VAL CG2 . 7054 1 550 . 1 1 60 60 VAL N N 15 113.8 0.2 . 1 . . . . 60 VAL N . 7054 1 551 . 1 1 61 61 LEU H H 1 8.38 0.02 . 1 . . . . 61 LEU H . 7054 1 552 . 1 1 61 61 LEU HA H 1 3.69 0.02 . 1 . . . . 61 LEU HA . 7054 1 553 . 1 1 61 61 LEU HB2 H 1 1.47 0.02 . 2 . . . . 61 LEU HB2 . 7054 1 554 . 1 1 61 61 LEU HB3 H 1 1.83 0.02 . 2 . . . . 61 LEU HB3 . 7054 1 555 . 1 1 61 61 LEU HG H 1 1.67 0.02 . 1 . . . . 61 LEU HG . 7054 1 556 . 1 1 61 61 LEU HD11 H 1 0.84 0.02 . 1 . . . . 61 LEU HD1 . 7054 1 557 . 1 1 61 61 LEU HD12 H 1 0.84 0.02 . 1 . . . . 61 LEU HD1 . 7054 1 558 . 1 1 61 61 LEU HD13 H 1 0.84 0.02 . 1 . . . . 61 LEU HD1 . 7054 1 559 . 1 1 61 61 LEU HD21 H 1 0.86 0.02 . 1 . . . . 61 LEU HD2 . 7054 1 560 . 1 1 61 61 LEU HD22 H 1 0.86 0.02 . 1 . . . . 61 LEU HD2 . 7054 1 561 . 1 1 61 61 LEU HD23 H 1 0.86 0.02 . 1 . . . . 61 LEU HD2 . 7054 1 562 . 1 1 61 61 LEU C C 13 179.9 0.2 . 1 . . . . 61 LEU C . 7054 1 563 . 1 1 61 61 LEU CA C 13 57.8 0.2 . 1 . . . . 61 LEU CA . 7054 1 564 . 1 1 61 61 LEU CB C 13 41.4 0.2 . 1 . . . . 61 LEU CB . 7054 1 565 . 1 1 61 61 LEU CG C 13 27.3 0.2 . 1 . . . . 61 LEU CG . 7054 1 566 . 1 1 61 61 LEU CD1 C 13 25.4 0.2 . 1 . . . . 61 LEU CD1 . 7054 1 567 . 1 1 61 61 LEU CD2 C 13 24.0 0.2 . 1 . . . . 61 LEU CD2 . 7054 1 568 . 1 1 61 61 LEU N N 15 118.8 0.2 . 1 . . . . 61 LEU N . 7054 1 569 . 1 1 62 62 ALA H H 1 7.93 0.02 . 1 . . . . 62 ALA H . 7054 1 570 . 1 1 62 62 ALA HA H 1 4.12 0.02 . 1 . . . . 62 ALA HA . 7054 1 571 . 1 1 62 62 ALA HB1 H 1 1.44 0.02 . 1 . . . . 62 ALA HB . 7054 1 572 . 1 1 62 62 ALA HB2 H 1 1.44 0.02 . 1 . . . . 62 ALA HB . 7054 1 573 . 1 1 62 62 ALA HB3 H 1 1.44 0.02 . 1 . . . . 62 ALA HB . 7054 1 574 . 1 1 62 62 ALA C C 13 178.1 0.2 . 1 . . . . 62 ALA C . 7054 1 575 . 1 1 62 62 ALA CA C 13 54.0 0.2 . 1 . . . . 62 ALA CA . 7054 1 576 . 1 1 62 62 ALA CB C 13 18.4 0.2 . 1 . . . . 62 ALA CB . 7054 1 577 . 1 1 62 62 ALA N N 15 120.5 0.2 . 1 . . . . 62 ALA N . 7054 1 578 . 1 1 63 63 LEU H H 1 7.20 0.02 . 1 . . . . 63 LEU H . 7054 1 579 . 1 1 63 63 LEU HA H 1 4.22 0.02 . 1 . . . . 63 LEU HA . 7054 1 580 . 1 1 63 63 LEU HB2 H 1 1.83 0.02 . 2 . . . . 63 LEU HB2 . 7054 1 581 . 1 1 63 63 LEU HG H 1 1.74 0.02 . 1 . . . . 63 LEU HG . 7054 1 582 . 1 1 63 63 LEU HD11 H 1 0.74 0.02 . 1 . . . . 63 LEU HD1 . 7054 1 583 . 1 1 63 63 LEU HD12 H 1 0.74 0.02 . 1 . . . . 63 LEU HD1 . 7054 1 584 . 1 1 63 63 LEU HD13 H 1 0.74 0.02 . 1 . . . . 63 LEU HD1 . 7054 1 585 . 1 1 63 63 LEU HD21 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 7054 1 586 . 1 1 63 63 LEU HD22 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 7054 1 587 . 1 1 63 63 LEU HD23 H 1 0.71 0.02 . 1 . . . . 63 LEU HD2 . 7054 1 588 . 1 1 63 63 LEU C C 13 175.8 0.2 . 1 . . . . 63 LEU C . 7054 1 589 . 1 1 63 63 LEU CA C 13 54.5 0.2 . 1 . . . . 63 LEU CA . 7054 1 590 . 1 1 63 63 LEU CB C 13 41.3 0.2 . 1 . . . . 63 LEU CB . 7054 1 591 . 1 1 63 63 LEU CG C 13 26.8 0.2 . 1 . . . . 63 LEU CG . 7054 1 592 . 1 1 63 63 LEU CD1 C 13 25.9 0.2 . 1 . . . . 63 LEU CD1 . 7054 1 593 . 1 1 63 63 LEU CD2 C 13 22.0 0.2 . 1 . . . . 63 LEU CD2 . 7054 1 594 . 1 1 63 63 LEU N N 15 115.7 0.2 . 1 . . . . 63 LEU N . 7054 1 595 . 1 1 64 64 ASN H H 1 8.08 0.02 . 1 . . . . 64 ASN H . 7054 1 596 . 1 1 64 64 ASN HA H 1 4.43 0.02 . 1 . . . . 64 ASN HA . 7054 1 597 . 1 1 64 64 ASN HB2 H 1 2.77 0.02 . 2 . . . . 64 ASN HB2 . 7054 1 598 . 1 1 64 64 ASN HB3 H 1 2.99 0.02 . 2 . . . . 64 ASN HB3 . 7054 1 599 . 1 1 64 64 ASN CA C 13 54.4 0.2 . 1 . . . . 64 ASN CA . 7054 1 600 . 1 1 64 64 ASN CB C 13 37.7 0.2 . 1 . . . . 64 ASN CB . 7054 1 601 . 1 1 64 64 ASN N N 15 113.7 0.2 . 1 . . . . 64 ASN N . 7054 1 602 . 1 1 65 65 PRO HA H 1 4.44 0.02 . 1 . . . . 65 PRO HA . 7054 1 603 . 1 1 65 65 PRO HB2 H 1 1.92 0.02 . 2 . . . . 65 PRO HB2 . 7054 1 604 . 1 1 65 65 PRO HB3 H 1 2.24 0.02 . 2 . . . . 65 PRO HB3 . 7054 1 605 . 1 1 65 65 PRO HG2 H 1 1.61 0.02 . 2 . . . . 65 PRO HG2 . 7054 1 606 . 1 1 65 65 PRO HG3 H 1 1.77 0.02 . 2 . . . . 65 PRO HG3 . 7054 1 607 . 1 1 65 65 PRO HD2 H 1 3.57 0.02 . 2 . . . . 65 PRO HD2 . 7054 1 608 . 1 1 65 65 PRO HD3 H 1 3.71 0.02 . 2 . . . . 65 PRO HD3 . 7054 1 609 . 1 1 65 65 PRO C C 13 175.1 0.2 . 1 . . . . 65 PRO C . 7054 1 610 . 1 1 65 65 PRO CA C 13 63.2 0.2 . 1 . . . . 65 PRO CA . 7054 1 611 . 1 1 65 65 PRO CB C 13 32.6 0.2 . 1 . . . . 65 PRO CB . 7054 1 612 . 1 1 65 65 PRO CG C 13 27.0 0.2 . 1 . . . . 65 PRO CG . 7054 1 613 . 1 1 65 65 PRO CD C 13 50.8 0.2 . 1 . . . . 65 PRO CD . 7054 1 614 . 1 1 66 66 ALA H H 1 9.24 0.02 . 1 . . . . 66 ALA H . 7054 1 615 . 1 1 66 66 ALA HA H 1 4.45 0.02 . 1 . . . . 66 ALA HA . 7054 1 616 . 1 1 66 66 ALA HB1 H 1 1.46 0.02 . 1 . . . . 66 ALA HB . 7054 1 617 . 1 1 66 66 ALA HB2 H 1 1.46 0.02 . 1 . . . . 66 ALA HB . 7054 1 618 . 1 1 66 66 ALA HB3 H 1 1.46 0.02 . 1 . . . . 66 ALA HB . 7054 1 619 . 1 1 66 66 ALA C C 13 177.8 0.2 . 1 . . . . 66 ALA C . 7054 1 620 . 1 1 66 66 ALA CA C 13 53.1 0.2 . 1 . . . . 66 ALA CA . 7054 1 621 . 1 1 66 66 ALA CB C 13 20.4 0.2 . 1 . . . . 66 ALA CB . 7054 1 622 . 1 1 66 66 ALA N N 15 119.7 0.2 . 1 . . . . 66 ALA N . 7054 1 623 . 1 1 67 67 VAL H H 1 7.47 0.02 . 1 . . . . 67 VAL H . 7054 1 624 . 1 1 67 67 VAL HA H 1 4.33 0.02 . 1 . . . . 67 VAL HA . 7054 1 625 . 1 1 67 67 VAL HB H 1 2.08 0.02 . 1 . . . . 67 VAL HB . 7054 1 626 . 1 1 67 67 VAL HG11 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 7054 1 627 . 1 1 67 67 VAL HG12 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 7054 1 628 . 1 1 67 67 VAL HG13 H 1 0.71 0.02 . 1 . . . . 67 VAL HG1 . 7054 1 629 . 1 1 67 67 VAL HG21 H 1 0.82 0.02 . 1 . . . . 67 VAL HG2 . 7054 1 630 . 1 1 67 67 VAL HG22 H 1 0.82 0.02 . 1 . . . . 67 VAL HG2 . 7054 1 631 . 1 1 67 67 VAL HG23 H 1 0.82 0.02 . 1 . . . . 67 VAL HG2 . 7054 1 632 . 1 1 67 67 VAL C C 13 171.8 0.2 . 1 . . . . 67 VAL C . 7054 1 633 . 1 1 67 67 VAL CA C 13 60.5 0.2 . 1 . . . . 67 VAL CA . 7054 1 634 . 1 1 67 67 VAL CB C 13 34.1 0.2 . 1 . . . . 67 VAL CB . 7054 1 635 . 1 1 67 67 VAL CG1 C 13 18.9 0.2 . 1 . . . . 67 VAL CG1 . 7054 1 636 . 1 1 67 67 VAL CG2 C 13 20.8 0.2 . 1 . . . . 67 VAL CG2 . 7054 1 637 . 1 1 67 67 VAL N N 15 114.7 0.2 . 1 . . . . 67 VAL N . 7054 1 638 . 1 1 68 68 ILE H H 1 8.50 0.02 . 1 . . . . 68 ILE H . 7054 1 639 . 1 1 68 68 ILE HA H 1 4.87 0.02 . 1 . . . . 68 ILE HA . 7054 1 640 . 1 1 68 68 ILE HB H 1 1.71 0.02 . 1 . . . . 68 ILE HB . 7054 1 641 . 1 1 68 68 ILE HG12 H 1 0.56 0.02 . 2 . . . . 68 ILE HG12 . 7054 1 642 . 1 1 68 68 ILE HG13 H 1 1.41 0.02 . 2 . . . . 68 ILE HG13 . 7054 1 643 . 1 1 68 68 ILE HG21 H 1 0.59 0.02 . 1 . . . . 68 ILE HG2 . 7054 1 644 . 1 1 68 68 ILE HG22 H 1 0.59 0.02 . 1 . . . . 68 ILE HG2 . 7054 1 645 . 1 1 68 68 ILE HG23 H 1 0.59 0.02 . 1 . . . . 68 ILE HG2 . 7054 1 646 . 1 1 68 68 ILE HD11 H 1 0.71 0.02 . 1 . . . . 68 ILE HD1 . 7054 1 647 . 1 1 68 68 ILE HD12 H 1 0.71 0.02 . 1 . . . . 68 ILE HD1 . 7054 1 648 . 1 1 68 68 ILE HD13 H 1 0.71 0.02 . 1 . . . . 68 ILE HD1 . 7054 1 649 . 1 1 68 68 ILE C C 13 175.2 0.2 . 1 . . . . 68 ILE C . 7054 1 650 . 1 1 68 68 ILE CA C 13 60.1 0.2 . 1 . . . . 68 ILE CA . 7054 1 651 . 1 1 68 68 ILE CB C 13 41.0 0.2 . 1 . . . . 68 ILE CB . 7054 1 652 . 1 1 68 68 ILE CG1 C 13 27.6 0.2 . 1 . . . . 68 ILE CG1 . 7054 1 653 . 1 1 68 68 ILE CG2 C 13 17.2 0.2 . 1 . . . . 68 ILE CG2 . 7054 1 654 . 1 1 68 68 ILE CD1 C 13 15.6 0.2 . 1 . . . . 68 ILE CD1 . 7054 1 655 . 1 1 68 68 ILE N N 15 126.5 0.2 . 1 . . . . 68 ILE N . 7054 1 656 . 1 1 69 69 LEU H H 1 9.22 0.02 . 1 . . . . 69 LEU H . 7054 1 657 . 1 1 69 69 LEU HA H 1 5.00 0.02 . 1 . . . . 69 LEU HA . 7054 1 658 . 1 1 69 69 LEU HB2 H 1 1.12 0.02 . 2 . . . . 69 LEU HB2 . 7054 1 659 . 1 1 69 69 LEU HB3 H 1 1.90 0.02 . 2 . . . . 69 LEU HB3 . 7054 1 660 . 1 1 69 69 LEU HG H 1 1.59 0.02 . 1 . . . . 69 LEU HG . 7054 1 661 . 1 1 69 69 LEU HD11 H 1 0.93 0.02 . 1 . . . . 69 LEU HD1 . 7054 1 662 . 1 1 69 69 LEU HD12 H 1 0.93 0.02 . 1 . . . . 69 LEU HD1 . 7054 1 663 . 1 1 69 69 LEU HD13 H 1 0.93 0.02 . 1 . . . . 69 LEU HD1 . 7054 1 664 . 1 1 69 69 LEU HD21 H 1 0.80 0.02 . 1 . . . . 69 LEU HD2 . 7054 1 665 . 1 1 69 69 LEU HD22 H 1 0.80 0.02 . 1 . . . . 69 LEU HD2 . 7054 1 666 . 1 1 69 69 LEU HD23 H 1 0.80 0.02 . 1 . . . . 69 LEU HD2 . 7054 1 667 . 1 1 69 69 LEU C C 13 173.6 0.2 . 1 . . . . 69 LEU C . 7054 1 668 . 1 1 69 69 LEU CA C 13 52.3 0.2 . 1 . . . . 69 LEU CA . 7054 1 669 . 1 1 69 69 LEU CB C 13 43.1 0.2 . 1 . . . . 69 LEU CB . 7054 1 670 . 1 1 69 69 LEU CG C 13 26.8 0.2 . 1 . . . . 69 LEU CG . 7054 1 671 . 1 1 69 69 LEU CD1 C 13 27.4 0.2 . 1 . . . . 69 LEU CD1 . 7054 1 672 . 1 1 69 69 LEU CD2 C 13 22.6 0.2 . 1 . . . . 69 LEU CD2 . 7054 1 673 . 1 1 69 69 LEU N N 15 127.3 0.2 . 1 . . . . 69 LEU N . 7054 1 674 . 1 1 70 70 LEU H H 1 8.93 0.02 . 1 . . . . 70 LEU H . 7054 1 675 . 1 1 70 70 LEU HA H 1 5.40 0.02 . 1 . . . . 70 LEU HA . 7054 1 676 . 1 1 70 70 LEU HB2 H 1 1.03 0.02 . 2 . . . . 70 LEU HB2 . 7054 1 677 . 1 1 70 70 LEU HB3 H 1 1.79 0.02 . 2 . . . . 70 LEU HB3 . 7054 1 678 . 1 1 70 70 LEU HG H 1 1.40 0.02 . 1 . . . . 70 LEU HG . 7054 1 679 . 1 1 70 70 LEU HD11 H 1 1.05 0.02 . 1 . . . . 70 LEU HD1 . 7054 1 680 . 1 1 70 70 LEU HD12 H 1 1.05 0.02 . 1 . . . . 70 LEU HD1 . 7054 1 681 . 1 1 70 70 LEU HD13 H 1 1.05 0.02 . 1 . . . . 70 LEU HD1 . 7054 1 682 . 1 1 70 70 LEU HD21 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 7054 1 683 . 1 1 70 70 LEU HD22 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 7054 1 684 . 1 1 70 70 LEU HD23 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 7054 1 685 . 1 1 70 70 LEU C C 13 174.1 0.2 . 1 . . . . 70 LEU C . 7054 1 686 . 1 1 70 70 LEU CA C 13 52.2 0.2 . 1 . . . . 70 LEU CA . 7054 1 687 . 1 1 70 70 LEU CB C 13 45.6 0.2 . 1 . . . . 70 LEU CB . 7054 1 688 . 1 1 70 70 LEU CG C 13 27.3 0.2 . 1 . . . . 70 LEU CG . 7054 1 689 . 1 1 70 70 LEU CD1 C 13 23.5 0.2 . 1 . . . . 70 LEU CD1 . 7054 1 690 . 1 1 70 70 LEU CD2 C 13 27.0 0.2 . 1 . . . . 70 LEU CD2 . 7054 1 691 . 1 1 70 70 LEU N N 15 127.1 0.2 . 1 . . . . 70 LEU N . 7054 1 692 . 1 1 71 71 GLY H H 1 9.23 0.02 . 1 . . . . 71 GLY H . 7054 1 693 . 1 1 71 71 GLY HA2 H 1 3.28 0.02 . 2 . . . . 71 GLY HA2 . 7054 1 694 . 1 1 71 71 GLY HA3 H 1 4.76 0.02 . 2 . . . . 71 GLY HA3 . 7054 1 695 . 1 1 71 71 GLY C C 13 175.2 0.2 . 1 . . . . 71 GLY C . 7054 1 696 . 1 1 71 71 GLY CA C 13 45.8 0.2 . 1 . . . . 71 GLY CA . 7054 1 697 . 1 1 71 71 GLY N N 15 115.1 0.2 . 1 . . . . 71 GLY N . 7054 1 698 . 1 1 72 72 THR H H 1 8.90 0.02 . 1 . . . . 72 THR H . 7054 1 699 . 1 1 72 72 THR HA H 1 4.33 0.02 . 1 . . . . 72 THR HA . 7054 1 700 . 1 1 72 72 THR HB H 1 4.58 0.02 . 1 . . . . 72 THR HB . 7054 1 701 . 1 1 72 72 THR HG21 H 1 1.19 0.02 . 1 . . . . 72 THR HG2 . 7054 1 702 . 1 1 72 72 THR HG22 H 1 1.19 0.02 . 1 . . . . 72 THR HG2 . 7054 1 703 . 1 1 72 72 THR HG23 H 1 1.19 0.02 . 1 . . . . 72 THR HG2 . 7054 1 704 . 1 1 72 72 THR C C 13 174.9 0.2 . 1 . . . . 72 THR C . 7054 1 705 . 1 1 72 72 THR CA C 13 61.5 0.2 . 1 . . . . 72 THR CA . 7054 1 706 . 1 1 72 72 THR CB C 13 68.3 0.2 . 1 . . . . 72 THR CB . 7054 1 707 . 1 1 72 72 THR CG2 C 13 20.6 0.2 . 1 . . . . 72 THR CG2 . 7054 1 708 . 1 1 72 72 THR N N 15 112.8 0.2 . 1 . . . . 72 THR N . 7054 1 709 . 1 1 73 73 GLY H H 1 8.55 0.02 . 1 . . . . 73 GLY H . 7054 1 710 . 1 1 73 73 GLY HA2 H 1 3.73 0.02 . 2 . . . . 73 GLY HA2 . 7054 1 711 . 1 1 73 73 GLY HA3 H 1 4.64 0.02 . 2 . . . . 73 GLY HA3 . 7054 1 712 . 1 1 73 73 GLY CA C 13 46.0 0.2 . 1 . . . . 73 GLY CA . 7054 1 713 . 1 1 73 73 GLY N N 15 112.6 0.2 . 1 . . . . 73 GLY N . 7054 1 714 . 1 1 74 74 GLU HA H 1 4.22 0.02 . 1 . . . . 74 GLU HA . 7054 1 715 . 1 1 74 74 GLU HB2 H 1 2.06 0.02 . 2 . . . . 74 GLU HB2 . 7054 1 716 . 1 1 74 74 GLU HB3 H 1 2.17 0.02 . 2 . . . . 74 GLU HB3 . 7054 1 717 . 1 1 74 74 GLU HG2 H 1 2.32 0.02 . 2 . . . . 74 GLU HG2 . 7054 1 718 . 1 1 74 74 GLU HG3 H 1 2.41 0.02 . 2 . . . . 74 GLU HG3 . 7054 1 719 . 1 1 74 74 GLU C C 13 175.5 0.2 . 1 . . . . 74 GLU C . 7054 1 720 . 1 1 74 74 GLU CA C 13 57.9 0.2 . 1 . . . . 74 GLU CA . 7054 1 721 . 1 1 74 74 GLU CB C 13 30.7 0.2 . 1 . . . . 74 GLU CB . 7054 1 722 . 1 1 74 74 GLU CG C 13 36.3 0.2 . 1 . . . . 74 GLU CG . 7054 1 723 . 1 1 75 75 ARG H H 1 8.02 0.02 . 1 . . . . 75 ARG H . 7054 1 724 . 1 1 75 75 ARG HA H 1 4.56 0.02 . 1 . . . . 75 ARG HA . 7054 1 725 . 1 1 75 75 ARG HB2 H 1 1.72 0.02 . 2 . . . . 75 ARG HB2 . 7054 1 726 . 1 1 75 75 ARG HB3 H 1 1.64 0.02 . 2 . . . . 75 ARG HB3 . 7054 1 727 . 1 1 75 75 ARG HG2 H 1 1.51 0.02 . 2 . . . . 75 ARG HG2 . 7054 1 728 . 1 1 75 75 ARG HD2 H 1 3.14 0.02 . 2 . . . . 75 ARG HD2 . 7054 1 729 . 1 1 75 75 ARG HD3 H 1 3.17 0.02 . 2 . . . . 75 ARG HD3 . 7054 1 730 . 1 1 75 75 ARG C C 13 174.9 0.2 . 1 . . . . 75 ARG C . 7054 1 731 . 1 1 75 75 ARG CA C 13 54.0 0.2 . 1 . . . . 75 ARG CA . 7054 1 732 . 1 1 75 75 ARG CB C 13 33.0 0.2 . 1 . . . . 75 ARG CB . 7054 1 733 . 1 1 75 75 ARG CG C 13 27.3 0.2 . 1 . . . . 75 ARG CG . 7054 1 734 . 1 1 75 75 ARG CD C 13 43.2 0.2 . 1 . . . . 75 ARG CD . 7054 1 735 . 1 1 75 75 ARG N N 15 116.2 0.2 . 1 . . . . 75 ARG N . 7054 1 736 . 1 1 76 76 GLN H H 1 8.80 0.02 . 1 . . . . 76 GLN H . 7054 1 737 . 1 1 76 76 GLN HA H 1 3.65 0.02 . 1 . . . . 76 GLN HA . 7054 1 738 . 1 1 76 76 GLN HB2 H 1 1.85 0.02 . 2 . . . . 76 GLN HB2 . 7054 1 739 . 1 1 76 76 GLN HB3 H 1 2.01 0.02 . 2 . . . . 76 GLN HB3 . 7054 1 740 . 1 1 76 76 GLN HG2 H 1 1.65 0.02 . 2 . . . . 76 GLN HG2 . 7054 1 741 . 1 1 76 76 GLN HG3 H 1 1.73 0.02 . 2 . . . . 76 GLN HG3 . 7054 1 742 . 1 1 76 76 GLN C C 13 174.1 0.2 . 1 . . . . 76 GLN C . 7054 1 743 . 1 1 76 76 GLN CA C 13 56.5 0.2 . 1 . . . . 76 GLN CA . 7054 1 744 . 1 1 76 76 GLN CB C 13 28.6 0.2 . 1 . . . . 76 GLN CB . 7054 1 745 . 1 1 76 76 GLN CG C 13 33.8 0.2 . 1 . . . . 76 GLN CG . 7054 1 746 . 1 1 76 76 GLN N N 15 124.9 0.2 . 1 . . . . 76 GLN N . 7054 1 747 . 1 1 77 77 GLN H H 1 7.62 0.02 . 1 . . . . 77 GLN H . 7054 1 748 . 1 1 77 77 GLN HA H 1 4.36 0.02 . 1 . . . . 77 GLN HA . 7054 1 749 . 1 1 77 77 GLN HB2 H 1 1.56 0.02 . 2 . . . . 77 GLN HB2 . 7054 1 750 . 1 1 77 77 GLN HB3 H 1 2.01 0.02 . 2 . . . . 77 GLN HB3 . 7054 1 751 . 1 1 77 77 GLN HG2 H 1 2.07 0.02 . 2 . . . . 77 GLN HG2 . 7054 1 752 . 1 1 77 77 GLN HG3 H 1 2.17 0.02 . 2 . . . . 77 GLN HG3 . 7054 1 753 . 1 1 77 77 GLN C C 13 172.6 0.2 . 1 . . . . 77 GLN C . 7054 1 754 . 1 1 77 77 GLN CA C 13 54.1 0.2 . 1 . . . . 77 GLN CA . 7054 1 755 . 1 1 77 77 GLN CB C 13 34.0 0.2 . 1 . . . . 77 GLN CB . 7054 1 756 . 1 1 77 77 GLN CG C 13 34.6 0.2 . 1 . . . . 77 GLN CG . 7054 1 757 . 1 1 77 77 GLN N N 15 128.2 0.2 . 1 . . . . 77 GLN N . 7054 1 758 . 1 1 78 78 PHE H H 1 8.40 0.02 . 1 . . . . 78 PHE H . 7054 1 759 . 1 1 78 78 PHE HA H 1 4.75 0.02 . 1 . . . . 78 PHE HA . 7054 1 760 . 1 1 78 78 PHE HB2 H 1 2.84 0.02 . 2 . . . . 78 PHE HB2 . 7054 1 761 . 1 1 78 78 PHE HB3 H 1 3.19 0.02 . 2 . . . . 78 PHE HB3 . 7054 1 762 . 1 1 78 78 PHE CA C 13 56.0 0.2 . 1 . . . . 78 PHE CA . 7054 1 763 . 1 1 78 78 PHE CB C 13 39.2 0.2 . 1 . . . . 78 PHE CB . 7054 1 764 . 1 1 78 78 PHE N N 15 118.8 0.2 . 1 . . . . 78 PHE N . 7054 1 765 . 1 1 79 79 PRO HA H 1 4.57 0.02 . 1 . . . . 79 PRO HA . 7054 1 766 . 1 1 79 79 PRO HB2 H 1 2.02 0.02 . 2 . . . . 79 PRO HB2 . 7054 1 767 . 1 1 79 79 PRO HB3 H 1 2.06 0.02 . 2 . . . . 79 PRO HB3 . 7054 1 768 . 1 1 79 79 PRO HG2 H 1 1.77 0.02 . 2 . . . . 79 PRO HG2 . 7054 1 769 . 1 1 79 79 PRO HG3 H 1 1.85 0.02 . 2 . . . . 79 PRO HG3 . 7054 1 770 . 1 1 79 79 PRO HD2 H 1 3.55 0.02 . 2 . . . . 79 PRO HD2 . 7054 1 771 . 1 1 79 79 PRO HD3 H 1 3.75 0.02 . 2 . . . . 79 PRO HD3 . 7054 1 772 . 1 1 79 79 PRO C C 13 174.2 0.2 . 1 . . . . 79 PRO C . 7054 1 773 . 1 1 79 79 PRO CA C 13 61.5 0.2 . 1 . . . . 79 PRO CA . 7054 1 774 . 1 1 79 79 PRO CB C 13 32.6 0.2 . 1 . . . . 79 PRO CB . 7054 1 775 . 1 1 79 79 PRO CG C 13 26.9 0.2 . 1 . . . . 79 PRO CG . 7054 1 776 . 1 1 79 79 PRO CD C 13 49.7 0.2 . 1 . . . . 79 PRO CD . 7054 1 777 . 1 1 80 80 SER H H 1 8.43 0.02 . 1 . . . . 80 SER H . 7054 1 778 . 1 1 80 80 SER HA H 1 4.42 0.02 . 1 . . . . 80 SER HA . 7054 1 779 . 1 1 80 80 SER HB2 H 1 4.09 0.02 . 2 . . . . 80 SER HB2 . 7054 1 780 . 1 1 80 80 SER HB3 H 1 4.38 0.02 . 2 . . . . 80 SER HB3 . 7054 1 781 . 1 1 80 80 SER C C 13 175.6 0.2 . 1 . . . . 80 SER C . 7054 1 782 . 1 1 80 80 SER CA C 13 58.1 0.2 . 1 . . . . 80 SER CA . 7054 1 783 . 1 1 80 80 SER CB C 13 64.6 0.2 . 1 . . . . 80 SER CB . 7054 1 784 . 1 1 80 80 SER N N 15 113.9 0.2 . 1 . . . . 80 SER N . 7054 1 785 . 1 1 81 81 THR H H 1 8.75 0.02 . 1 . . . . 81 THR H . 7054 1 786 . 1 1 81 81 THR HA H 1 3.95 0.02 . 1 . . . . 81 THR HA . 7054 1 787 . 1 1 81 81 THR HB H 1 4.25 0.02 . 1 . . . . 81 THR HB . 7054 1 788 . 1 1 81 81 THR HG21 H 1 1.34 0.02 . 1 . . . . 81 THR HG2 . 7054 1 789 . 1 1 81 81 THR HG22 H 1 1.34 0.02 . 1 . . . . 81 THR HG2 . 7054 1 790 . 1 1 81 81 THR HG23 H 1 1.34 0.02 . 1 . . . . 81 THR HG2 . 7054 1 791 . 1 1 81 81 THR C C 13 176.6 0.2 . 1 . . . . 81 THR C . 7054 1 792 . 1 1 81 81 THR CA C 13 66.0 0.2 . 1 . . . . 81 THR CA . 7054 1 793 . 1 1 81 81 THR CB C 13 68.6 0.2 . 1 . . . . 81 THR CB . 7054 1 794 . 1 1 81 81 THR CG2 C 13 22.2 0.2 . 1 . . . . 81 THR CG2 . 7054 1 795 . 1 1 81 81 THR N N 15 115.7 0.2 . 1 . . . . 81 THR N . 7054 1 796 . 1 1 82 82 ASP H H 1 8.45 0.02 . 1 . . . . 82 ASP H . 7054 1 797 . 1 1 82 82 ASP HA H 1 4.44 0.02 . 1 . . . . 82 ASP HA . 7054 1 798 . 1 1 82 82 ASP HB2 H 1 2.56 0.02 . 2 . . . . 82 ASP HB2 . 7054 1 799 . 1 1 82 82 ASP HB3 H 1 2.70 0.02 . 2 . . . . 82 ASP HB3 . 7054 1 800 . 1 1 82 82 ASP C C 13 179.2 0.2 . 1 . . . . 82 ASP C . 7054 1 801 . 1 1 82 82 ASP CA C 13 57.0 0.2 . 1 . . . . 82 ASP CA . 7054 1 802 . 1 1 82 82 ASP CB C 13 39.9 0.2 . 1 . . . . 82 ASP CB . 7054 1 803 . 1 1 82 82 ASP N N 15 120.2 0.2 . 1 . . . . 82 ASP N . 7054 1 804 . 1 1 83 83 VAL H H 1 7.71 0.02 . 1 . . . . 83 VAL H . 7054 1 805 . 1 1 83 83 VAL HA H 1 3.41 0.02 . 1 . . . . 83 VAL HA . 7054 1 806 . 1 1 83 83 VAL HB H 1 2.29 0.02 . 1 . . . . 83 VAL HB . 7054 1 807 . 1 1 83 83 VAL HG11 H 1 0.86 0.02 . 1 . . . . 83 VAL HG1 . 7054 1 808 . 1 1 83 83 VAL HG12 H 1 0.86 0.02 . 1 . . . . 83 VAL HG1 . 7054 1 809 . 1 1 83 83 VAL HG13 H 1 0.86 0.02 . 1 . . . . 83 VAL HG1 . 7054 1 810 . 1 1 83 83 VAL HG21 H 1 0.79 0.02 . 1 . . . . 83 VAL HG2 . 7054 1 811 . 1 1 83 83 VAL HG22 H 1 0.79 0.02 . 1 . . . . 83 VAL HG2 . 7054 1 812 . 1 1 83 83 VAL HG23 H 1 0.79 0.02 . 1 . . . . 83 VAL HG2 . 7054 1 813 . 1 1 83 83 VAL C C 13 176.9 0.2 . 1 . . . . 83 VAL C . 7054 1 814 . 1 1 83 83 VAL CA C 13 67.2 0.2 . 1 . . . . 83 VAL CA . 7054 1 815 . 1 1 83 83 VAL CB C 13 31.2 0.2 . 1 . . . . 83 VAL CB . 7054 1 816 . 1 1 83 83 VAL CG1 C 13 21.1 0.2 . 1 . . . . 83 VAL CG1 . 7054 1 817 . 1 1 83 83 VAL CG2 C 13 23.6 0.2 . 1 . . . . 83 VAL CG2 . 7054 1 818 . 1 1 83 83 VAL N N 15 123.5 0.2 . 1 . . . . 83 VAL N . 7054 1 819 . 1 1 84 84 LEU H H 1 7.59 0.02 . 1 . . . . 84 LEU H . 7054 1 820 . 1 1 84 84 LEU HA H 1 4.05 0.02 . 1 . . . . 84 LEU HA . 7054 1 821 . 1 1 84 84 LEU HB2 H 1 1.75 0.02 . 2 . . . . 84 LEU HB2 . 7054 1 822 . 1 1 84 84 LEU HB3 H 1 1.81 0.02 . 2 . . . . 84 LEU HB3 . 7054 1 823 . 1 1 84 84 LEU HG H 1 1.68 0.02 . 1 . . . . 84 LEU HG . 7054 1 824 . 1 1 84 84 LEU HD11 H 1 1.02 0.02 . 1 . . . . 84 LEU HD1 . 7054 1 825 . 1 1 84 84 LEU HD12 H 1 1.02 0.02 . 1 . . . . 84 LEU HD1 . 7054 1 826 . 1 1 84 84 LEU HD13 H 1 1.02 0.02 . 1 . . . . 84 LEU HD1 . 7054 1 827 . 1 1 84 84 LEU HD21 H 1 1.00 0.02 . 1 . . . . 84 LEU HD2 . 7054 1 828 . 1 1 84 84 LEU HD22 H 1 1.00 0.02 . 1 . . . . 84 LEU HD2 . 7054 1 829 . 1 1 84 84 LEU HD23 H 1 1.00 0.02 . 1 . . . . 84 LEU HD2 . 7054 1 830 . 1 1 84 84 LEU C C 13 179.7 0.2 . 1 . . . . 84 LEU C . 7054 1 831 . 1 1 84 84 LEU CA C 13 58.4 0.2 . 1 . . . . 84 LEU CA . 7054 1 832 . 1 1 84 84 LEU CB C 13 41.9 0.2 . 1 . . . . 84 LEU CB . 7054 1 833 . 1 1 84 84 LEU CG C 13 27.4 0.2 . 1 . . . . 84 LEU CG . 7054 1 834 . 1 1 84 84 LEU CD1 C 13 25.1 0.2 . 1 . . . . 84 LEU CD1 . 7054 1 835 . 1 1 84 84 LEU CD2 C 13 24.6 0.2 . 1 . . . . 84 LEU CD2 . 7054 1 836 . 1 1 84 84 LEU N N 15 118.7 0.2 . 1 . . . . 84 LEU N . 7054 1 837 . 1 1 85 85 ALA H H 1 8.58 0.02 . 1 . . . . 85 ALA H . 7054 1 838 . 1 1 85 85 ALA HA H 1 4.08 0.02 . 1 . . . . 85 ALA HA . 7054 1 839 . 1 1 85 85 ALA HB1 H 1 1.53 0.02 . 1 . . . . 85 ALA HB . 7054 1 840 . 1 1 85 85 ALA HB2 H 1 1.53 0.02 . 1 . . . . 85 ALA HB . 7054 1 841 . 1 1 85 85 ALA HB3 H 1 1.53 0.02 . 1 . . . . 85 ALA HB . 7054 1 842 . 1 1 85 85 ALA C C 13 179.7 0.2 . 1 . . . . 85 ALA C . 7054 1 843 . 1 1 85 85 ALA CA C 13 55.5 0.2 . 1 . . . . 85 ALA CA . 7054 1 844 . 1 1 85 85 ALA CB C 13 18.4 0.2 . 1 . . . . 85 ALA CB . 7054 1 845 . 1 1 85 85 ALA N N 15 120.9 0.2 . 1 . . . . 85 ALA N . 7054 1 846 . 1 1 86 86 ALA H H 1 7.56 0.02 . 1 . . . . 86 ALA H . 7054 1 847 . 1 1 86 86 ALA HA H 1 4.12 0.02 . 1 . . . . 86 ALA HA . 7054 1 848 . 1 1 86 86 ALA HB1 H 1 1.54 0.02 . 1 . . . . 86 ALA HB . 7054 1 849 . 1 1 86 86 ALA HB2 H 1 1.54 0.02 . 1 . . . . 86 ALA HB . 7054 1 850 . 1 1 86 86 ALA HB3 H 1 1.54 0.02 . 1 . . . . 86 ALA HB . 7054 1 851 . 1 1 86 86 ALA C C 13 179.0 0.2 . 1 . . . . 86 ALA C . 7054 1 852 . 1 1 86 86 ALA CA C 13 55.0 0.2 . 1 . . . . 86 ALA CA . 7054 1 853 . 1 1 86 86 ALA CB C 13 17.6 0.2 . 1 . . . . 86 ALA CB . 7054 1 854 . 1 1 86 86 ALA N N 15 120.2 0.2 . 1 . . . . 86 ALA N . 7054 1 855 . 1 1 87 87 CYS H H 1 7.18 0.02 . 1 . . . . 87 CYS H . 7054 1 856 . 1 1 87 87 CYS HA H 1 4.22 0.02 . 1 . . . . 87 CYS HA . 7054 1 857 . 1 1 87 87 CYS HB2 H 1 3.12 0.02 . 2 . . . . 87 CYS HB2 . 7054 1 858 . 1 1 87 87 CYS HB3 H 1 3.16 0.02 . 2 . . . . 87 CYS HB3 . 7054 1 859 . 1 1 87 87 CYS C C 13 177.1 0.2 . 1 . . . . 87 CYS C . 7054 1 860 . 1 1 87 87 CYS CA C 13 62.4 0.2 . 1 . . . . 87 CYS CA . 7054 1 861 . 1 1 87 87 CYS CB C 13 26.7 0.2 . 1 . . . . 87 CYS CB . 7054 1 862 . 1 1 87 87 CYS N N 15 113.9 0.2 . 1 . . . . 87 CYS N . 7054 1 863 . 1 1 88 88 LEU H H 1 8.59 0.02 . 1 . . . . 88 LEU H . 7054 1 864 . 1 1 88 88 LEU HA H 1 4.07 0.02 . 1 . . . . 88 LEU HA . 7054 1 865 . 1 1 88 88 LEU HB2 H 1 1.60 0.02 . 2 . . . . 88 LEU HB2 . 7054 1 866 . 1 1 88 88 LEU HB3 H 1 1.81 0.02 . 2 . . . . 88 LEU HB3 . 7054 1 867 . 1 1 88 88 LEU HG H 1 1.79 0.02 . 1 . . . . 88 LEU HG . 7054 1 868 . 1 1 88 88 LEU HD11 H 1 0.93 0.02 . 1 . . . . 88 LEU HD1 . 7054 1 869 . 1 1 88 88 LEU HD12 H 1 0.93 0.02 . 1 . . . . 88 LEU HD1 . 7054 1 870 . 1 1 88 88 LEU HD13 H 1 0.93 0.02 . 1 . . . . 88 LEU HD1 . 7054 1 871 . 1 1 88 88 LEU HD21 H 1 0.92 0.02 . 1 . . . . 88 LEU HD2 . 7054 1 872 . 1 1 88 88 LEU HD22 H 1 0.92 0.02 . 1 . . . . 88 LEU HD2 . 7054 1 873 . 1 1 88 88 LEU HD23 H 1 0.92 0.02 . 1 . . . . 88 LEU HD2 . 7054 1 874 . 1 1 88 88 LEU C C 13 182.1 0.2 . 1 . . . . 88 LEU C . 7054 1 875 . 1 1 88 88 LEU CA C 13 58.4 0.2 . 1 . . . . 88 LEU CA . 7054 1 876 . 1 1 88 88 LEU CB C 13 41.6 0.2 . 1 . . . . 88 LEU CB . 7054 1 877 . 1 1 88 88 LEU CG C 13 27.2 0.2 . 1 . . . . 88 LEU CG . 7054 1 878 . 1 1 88 88 LEU CD1 C 13 24.9 0.2 . 1 . . . . 88 LEU CD1 . 7054 1 879 . 1 1 88 88 LEU CD2 C 13 23.1 0.2 . 1 . . . . 88 LEU CD2 . 7054 1 880 . 1 1 88 88 LEU N N 15 121.3 0.2 . 1 . . . . 88 LEU N . 7054 1 881 . 1 1 89 89 THR H H 1 8.45 0.02 . 1 . . . . 89 THR H . 7054 1 882 . 1 1 89 89 THR HA H 1 4.09 0.02 . 1 . . . . 89 THR HA . 7054 1 883 . 1 1 89 89 THR HB H 1 4.26 0.02 . 1 . . . . 89 THR HB . 7054 1 884 . 1 1 89 89 THR HG21 H 1 1.34 0.02 . 1 . . . . 89 THR HG2 . 7054 1 885 . 1 1 89 89 THR HG22 H 1 1.34 0.02 . 1 . . . . 89 THR HG2 . 7054 1 886 . 1 1 89 89 THR HG23 H 1 1.34 0.02 . 1 . . . . 89 THR HG2 . 7054 1 887 . 1 1 89 89 THR C C 13 175.6 0.2 . 1 . . . . 89 THR C . 7054 1 888 . 1 1 89 89 THR CA C 13 65.6 0.2 . 1 . . . . 89 THR CA . 7054 1 889 . 1 1 89 89 THR CB C 13 69.2 0.2 . 1 . . . . 89 THR CB . 7054 1 890 . 1 1 89 89 THR CG2 C 13 21.6 0.2 . 1 . . . . 89 THR CG2 . 7054 1 891 . 1 1 89 89 THR N N 15 113.9 0.2 . 1 . . . . 89 THR N . 7054 1 892 . 1 1 90 90 ARG H H 1 7.15 0.02 . 1 . . . . 90 ARG H . 7054 1 893 . 1 1 90 90 ARG HA H 1 4.45 0.02 . 1 . . . . 90 ARG HA . 7054 1 894 . 1 1 90 90 ARG HB2 H 1 1.80 0.02 . 2 . . . . 90 ARG HB2 . 7054 1 895 . 1 1 90 90 ARG HB3 H 1 2.20 0.02 . 2 . . . . 90 ARG HB3 . 7054 1 896 . 1 1 90 90 ARG HG2 H 1 1.69 0.02 . 2 . . . . 90 ARG HG2 . 7054 1 897 . 1 1 90 90 ARG HG3 H 1 1.79 0.02 . 2 . . . . 90 ARG HG3 . 7054 1 898 . 1 1 90 90 ARG HD2 H 1 3.21 0.02 . 2 . . . . 90 ARG HD2 . 7054 1 899 . 1 1 90 90 ARG HD3 H 1 3.28 0.02 . 2 . . . . 90 ARG HD3 . 7054 1 900 . 1 1 90 90 ARG C C 13 176.2 0.2 . 1 . . . . 90 ARG C . 7054 1 901 . 1 1 90 90 ARG CA C 13 55.2 0.2 . 1 . . . . 90 ARG CA . 7054 1 902 . 1 1 90 90 ARG CB C 13 30.7 0.2 . 1 . . . . 90 ARG CB . 7054 1 903 . 1 1 90 90 ARG CD C 13 42.6 0.2 . 1 . . . . 90 ARG CD . 7054 1 904 . 1 1 90 90 ARG N N 15 119.0 0.2 . 1 . . . . 90 ARG N . 7054 1 905 . 1 1 91 91 GLY H H 1 8.01 0.02 . 1 . . . . 91 GLY H . 7054 1 906 . 1 1 91 91 GLY HA2 H 1 3.81 0.02 . 2 . . . . 91 GLY HA2 . 7054 1 907 . 1 1 91 91 GLY HA3 H 1 4.06 0.02 . 2 . . . . 91 GLY HA3 . 7054 1 908 . 1 1 91 91 GLY C C 13 173.9 0.2 . 1 . . . . 91 GLY C . 7054 1 909 . 1 1 91 91 GLY CA C 13 46.0 0.2 . 1 . . . . 91 GLY CA . 7054 1 910 . 1 1 91 91 GLY N N 15 108.2 0.2 . 1 . . . . 91 GLY N . 7054 1 911 . 1 1 92 92 ILE H H 1 7.47 0.02 . 1 . . . . 92 ILE H . 7054 1 912 . 1 1 92 92 ILE HA H 1 4.00 0.02 . 1 . . . . 92 ILE HA . 7054 1 913 . 1 1 92 92 ILE HB H 1 1.46 0.02 . 1 . . . . 92 ILE HB . 7054 1 914 . 1 1 92 92 ILE HG12 H 1 1.05 0.02 . 2 . . . . 92 ILE HG12 . 7054 1 915 . 1 1 92 92 ILE HG13 H 1 1.35 0.02 . 2 . . . . 92 ILE HG13 . 7054 1 916 . 1 1 92 92 ILE HG21 H 1 0.72 0.02 . 1 . . . . 92 ILE HG2 . 7054 1 917 . 1 1 92 92 ILE HG22 H 1 0.72 0.02 . 1 . . . . 92 ILE HG2 . 7054 1 918 . 1 1 92 92 ILE HG23 H 1 0.72 0.02 . 1 . . . . 92 ILE HG2 . 7054 1 919 . 1 1 92 92 ILE HD11 H 1 0.83 0.02 . 1 . . . . 92 ILE HD1 . 7054 1 920 . 1 1 92 92 ILE HD12 H 1 0.83 0.02 . 1 . . . . 92 ILE HD1 . 7054 1 921 . 1 1 92 92 ILE HD13 H 1 0.83 0.02 . 1 . . . . 92 ILE HD1 . 7054 1 922 . 1 1 92 92 ILE C C 13 174.3 0.2 . 1 . . . . 92 ILE C . 7054 1 923 . 1 1 92 92 ILE CA C 13 60.3 0.2 . 1 . . . . 92 ILE CA . 7054 1 924 . 1 1 92 92 ILE CB C 13 40.6 0.2 . 1 . . . . 92 ILE CB . 7054 1 925 . 1 1 92 92 ILE CG1 C 13 27.1 0.2 . 1 . . . . 92 ILE CG1 . 7054 1 926 . 1 1 92 92 ILE CG2 C 13 17.4 0.2 . 1 . . . . 92 ILE CG2 . 7054 1 927 . 1 1 92 92 ILE CD1 C 13 13.9 0.2 . 1 . . . . 92 ILE CD1 . 7054 1 928 . 1 1 92 92 ILE N N 15 121.9 0.2 . 1 . . . . 92 ILE N . 7054 1 929 . 1 1 93 93 GLY H H 1 8.31 0.02 . 1 . . . . 93 GLY H . 7054 1 930 . 1 1 93 93 GLY HA2 H 1 3.60 0.02 . 2 . . . . 93 GLY HA2 . 7054 1 931 . 1 1 93 93 GLY HA3 H 1 3.97 0.02 . 2 . . . . 93 GLY HA3 . 7054 1 932 . 1 1 93 93 GLY C C 13 171.2 0.2 . 1 . . . . 93 GLY C . 7054 1 933 . 1 1 93 93 GLY CA C 13 45.6 0.2 . 1 . . . . 93 GLY CA . 7054 1 934 . 1 1 93 93 GLY N N 15 112.6 0.2 . 1 . . . . 93 GLY N . 7054 1 935 . 1 1 94 94 LEU H H 1 7.60 0.02 . 1 . . . . 94 LEU H . 7054 1 936 . 1 1 94 94 LEU HA H 1 5.35 0.02 . 1 . . . . 94 LEU HA . 7054 1 937 . 1 1 94 94 LEU HB2 H 1 1.52 0.02 . 2 . . . . 94 LEU HB2 . 7054 1 938 . 1 1 94 94 LEU HB3 H 1 1.72 0.02 . 2 . . . . 94 LEU HB3 . 7054 1 939 . 1 1 94 94 LEU HG H 1 1.40 0.02 . 1 . . . . 94 LEU HG . 7054 1 940 . 1 1 94 94 LEU HD11 H 1 0.89 0.02 . 1 . . . . 94 LEU HD1 . 7054 1 941 . 1 1 94 94 LEU HD12 H 1 0.89 0.02 . 1 . . . . 94 LEU HD1 . 7054 1 942 . 1 1 94 94 LEU HD13 H 1 0.89 0.02 . 1 . . . . 94 LEU HD1 . 7054 1 943 . 1 1 94 94 LEU HD21 H 1 0.85 0.02 . 1 . . . . 94 LEU HD2 . 7054 1 944 . 1 1 94 94 LEU HD22 H 1 0.85 0.02 . 1 . . . . 94 LEU HD2 . 7054 1 945 . 1 1 94 94 LEU HD23 H 1 0.85 0.02 . 1 . . . . 94 LEU HD2 . 7054 1 946 . 1 1 94 94 LEU C C 13 175.6 0.2 . 1 . . . . 94 LEU C . 7054 1 947 . 1 1 94 94 LEU CA C 13 53.9 0.2 . 1 . . . . 94 LEU CA . 7054 1 948 . 1 1 94 94 LEU CB C 13 44.5 0.2 . 1 . . . . 94 LEU CB . 7054 1 949 . 1 1 94 94 LEU CG C 13 27.7 0.2 . 1 . . . . 94 LEU CG . 7054 1 950 . 1 1 94 94 LEU CD1 C 13 26.5 0.2 . 1 . . . . 94 LEU CD1 . 7054 1 951 . 1 1 94 94 LEU CD2 C 13 26.1 0.2 . 1 . . . . 94 LEU CD2 . 7054 1 952 . 1 1 94 94 LEU N N 15 122.6 0.2 . 1 . . . . 94 LEU N . 7054 1 953 . 1 1 95 95 GLU H H 1 8.71 0.02 . 1 . . . . 95 GLU H . 7054 1 954 . 1 1 95 95 GLU HA H 1 4.73 0.02 . 1 . . . . 95 GLU HA . 7054 1 955 . 1 1 95 95 GLU HB2 H 1 1.84 0.02 . 2 . . . . 95 GLU HB2 . 7054 1 956 . 1 1 95 95 GLU HB3 H 1 1.93 0.02 . 2 . . . . 95 GLU HB3 . 7054 1 957 . 1 1 95 95 GLU HG2 H 1 2.05 0.02 . 2 . . . . 95 GLU HG2 . 7054 1 958 . 1 1 95 95 GLU HG3 H 1 2.14 0.02 . 2 . . . . 95 GLU HG3 . 7054 1 959 . 1 1 95 95 GLU C C 13 174.1 0.2 . 1 . . . . 95 GLU C . 7054 1 960 . 1 1 95 95 GLU CA C 13 54.6 0.2 . 1 . . . . 95 GLU CA . 7054 1 961 . 1 1 95 95 GLU CB C 13 31.8 0.2 . 1 . . . . 95 GLU CB . 7054 1 962 . 1 1 95 95 GLU CG C 13 35.0 0.2 . 1 . . . . 95 GLU CG . 7054 1 963 . 1 1 95 95 GLU N N 15 126.8 0.2 . 1 . . . . 95 GLU N . 7054 1 964 . 1 1 96 96 ALA H H 1 8.54 0.02 . 1 . . . . 96 ALA H . 7054 1 965 . 1 1 96 96 ALA HA H 1 5.53 0.02 . 1 . . . . 96 ALA HA . 7054 1 966 . 1 1 96 96 ALA HB1 H 1 1.28 0.02 . 1 . . . . 96 ALA HB . 7054 1 967 . 1 1 96 96 ALA HB2 H 1 1.28 0.02 . 1 . . . . 96 ALA HB . 7054 1 968 . 1 1 96 96 ALA HB3 H 1 1.28 0.02 . 1 . . . . 96 ALA HB . 7054 1 969 . 1 1 96 96 ALA C C 13 177.1 0.2 . 1 . . . . 96 ALA C . 7054 1 970 . 1 1 96 96 ALA CA C 13 50.8 0.2 . 1 . . . . 96 ALA CA . 7054 1 971 . 1 1 96 96 ALA CB C 13 20.5 0.2 . 1 . . . . 96 ALA CB . 7054 1 972 . 1 1 96 96 ALA N N 15 128.4 0.2 . 1 . . . . 96 ALA N . 7054 1 973 . 1 1 97 97 MET H H 1 9.32 0.02 . 1 . . . . 97 MET H . 7054 1 974 . 1 1 97 97 MET HA H 1 4.77 0.02 . 1 . . . . 97 MET HA . 7054 1 975 . 1 1 97 97 MET HB2 H 1 1.82 0.02 . 2 . . . . 97 MET HB2 . 7054 1 976 . 1 1 97 97 MET HB3 H 1 2.43 0.02 . 2 . . . . 97 MET HB3 . 7054 1 977 . 1 1 97 97 MET HG2 H 1 2.41 0.02 . 2 . . . . 97 MET HG2 . 7054 1 978 . 1 1 97 97 MET HG3 H 1 2.43 0.02 . 2 . . . . 97 MET HG3 . 7054 1 979 . 1 1 97 97 MET HE1 H 1 2.03 0.02 . 1 . . . . 97 MET HE . 7054 1 980 . 1 1 97 97 MET HE2 H 1 2.03 0.02 . 1 . . . . 97 MET HE . 7054 1 981 . 1 1 97 97 MET HE3 H 1 2.03 0.02 . 1 . . . . 97 MET HE . 7054 1 982 . 1 1 97 97 MET C C 13 174.0 0.2 . 1 . . . . 97 MET C . 7054 1 983 . 1 1 97 97 MET CA C 13 54.9 0.2 . 1 . . . . 97 MET CA . 7054 1 984 . 1 1 97 97 MET CB C 13 38.0 0.2 . 1 . . . . 97 MET CB . 7054 1 985 . 1 1 97 97 MET CG C 13 32.2 0.2 . 1 . . . . 97 MET CG . 7054 1 986 . 1 1 97 97 MET CE C 13 18.4 0.2 . 1 . . . . 97 MET CE . 7054 1 987 . 1 1 97 97 MET N N 15 121.2 0.2 . 1 . . . . 97 MET N . 7054 1 988 . 1 1 98 98 THR H H 1 8.27 0.02 . 1 . . . . 98 THR H . 7054 1 989 . 1 1 98 98 THR HA H 1 3.87 0.02 . 1 . . . . 98 THR HA . 7054 1 990 . 1 1 98 98 THR HB H 1 4.58 0.02 . 1 . . . . 98 THR HB . 7054 1 991 . 1 1 98 98 THR HG21 H 1 1.16 0.02 . 1 . . . . 98 THR HG2 . 7054 1 992 . 1 1 98 98 THR HG22 H 1 1.16 0.02 . 1 . . . . 98 THR HG2 . 7054 1 993 . 1 1 98 98 THR HG23 H 1 1.16 0.02 . 1 . . . . 98 THR HG2 . 7054 1 994 . 1 1 98 98 THR C C 13 174.8 0.2 . 1 . . . . 98 THR C . 7054 1 995 . 1 1 98 98 THR CA C 13 62.3 0.2 . 1 . . . . 98 THR CA . 7054 1 996 . 1 1 98 98 THR CB C 13 70.0 0.2 . 1 . . . . 98 THR CB . 7054 1 997 . 1 1 98 98 THR CG2 C 13 22.8 0.2 . 1 . . . . 98 THR CG2 . 7054 1 998 . 1 1 98 98 THR N N 15 107.9 0.2 . 1 . . . . 98 THR N . 7054 1 999 . 1 1 99 99 ASN H H 1 8.74 0.02 . 1 . . . . 99 ASN H . 7054 1 1000 . 1 1 99 99 ASN HA H 1 4.20 0.02 . 1 . . . . 99 ASN HA . 7054 1 1001 . 1 1 99 99 ASN HB2 H 1 2.42 0.02 . 2 . . . . 99 ASN HB2 . 7054 1 1002 . 1 1 99 99 ASN HB3 H 1 2.63 0.02 . 2 . . . . 99 ASN HB3 . 7054 1 1003 . 1 1 99 99 ASN HD21 H 1 7.36 0.02 . 2 . . . . 99 ASN HD21 . 7054 1 1004 . 1 1 99 99 ASN HD22 H 1 7.38 0.02 . 2 . . . . 99 ASN HD22 . 7054 1 1005 . 1 1 99 99 ASN C C 13 177.5 0.2 . 1 . . . . 99 ASN C . 7054 1 1006 . 1 1 99 99 ASN CA C 13 57.0 0.2 . 1 . . . . 99 ASN CA . 7054 1 1007 . 1 1 99 99 ASN CB C 13 36.5 0.2 . 1 . . . . 99 ASN CB . 7054 1 1008 . 1 1 99 99 ASN N N 15 122.4 0.2 . 1 . . . . 99 ASN N . 7054 1 1009 . 1 1 99 99 ASN ND2 N 15 108.0 0.2 . 1 . . . . 99 ASN ND2 . 7054 1 1010 . 1 1 100 100 ALA H H 1 8.75 0.02 . 1 . . . . 100 ALA H . 7054 1 1011 . 1 1 100 100 ALA HA H 1 4.02 0.02 . 1 . . . . 100 ALA HA . 7054 1 1012 . 1 1 100 100 ALA HB1 H 1 1.50 0.02 . 1 . . . . 100 ALA HB . 7054 1 1013 . 1 1 100 100 ALA HB2 H 1 1.50 0.02 . 1 . . . . 100 ALA HB . 7054 1 1014 . 1 1 100 100 ALA HB3 H 1 1.50 0.02 . 1 . . . . 100 ALA HB . 7054 1 1015 . 1 1 100 100 ALA C C 13 180.7 0.2 . 1 . . . . 100 ALA C . 7054 1 1016 . 1 1 100 100 ALA CA C 13 55.5 0.2 . 1 . . . . 100 ALA CA . 7054 1 1017 . 1 1 100 100 ALA CB C 13 18.5 0.2 . 1 . . . . 100 ALA CB . 7054 1 1018 . 1 1 100 100 ALA N N 15 121.1 0.2 . 1 . . . . 100 ALA N . 7054 1 1019 . 1 1 101 101 ALA H H 1 7.70 0.02 . 1 . . . . 101 ALA H . 7054 1 1020 . 1 1 101 101 ALA HA H 1 4.13 0.02 . 1 . . . . 101 ALA HA . 7054 1 1021 . 1 1 101 101 ALA HB1 H 1 1.49 0.02 . 1 . . . . 101 ALA HB . 7054 1 1022 . 1 1 101 101 ALA HB2 H 1 1.49 0.02 . 1 . . . . 101 ALA HB . 7054 1 1023 . 1 1 101 101 ALA HB3 H 1 1.49 0.02 . 1 . . . . 101 ALA HB . 7054 1 1024 . 1 1 101 101 ALA C C 13 180.6 0.2 . 1 . . . . 101 ALA C . 7054 1 1025 . 1 1 101 101 ALA CA C 13 55.0 0.2 . 1 . . . . 101 ALA CA . 7054 1 1026 . 1 1 101 101 ALA CB C 13 18.8 0.2 . 1 . . . . 101 ALA CB . 7054 1 1027 . 1 1 101 101 ALA N N 15 121.6 0.2 . 1 . . . . 101 ALA N . 7054 1 1028 . 1 1 102 102 ALA H H 1 9.38 0.02 . 1 . . . . 102 ALA H . 7054 1 1029 . 1 1 102 102 ALA HA H 1 4.25 0.02 . 1 . . . . 102 ALA HA . 7054 1 1030 . 1 1 102 102 ALA HB1 H 1 1.22 0.02 . 1 . . . . 102 ALA HB . 7054 1 1031 . 1 1 102 102 ALA HB2 H 1 1.22 0.02 . 1 . . . . 102 ALA HB . 7054 1 1032 . 1 1 102 102 ALA HB3 H 1 1.22 0.02 . 1 . . . . 102 ALA HB . 7054 1 1033 . 1 1 102 102 ALA C C 13 179.0 0.2 . 1 . . . . 102 ALA C . 7054 1 1034 . 1 1 102 102 ALA CA C 13 55.0 0.2 . 1 . . . . 102 ALA CA . 7054 1 1035 . 1 1 102 102 ALA CB C 13 17.4 0.2 . 1 . . . . 102 ALA CB . 7054 1 1036 . 1 1 102 102 ALA N N 15 124.6 0.2 . 1 . . . . 102 ALA N . 7054 1 1037 . 1 1 103 103 ALA H H 1 8.20 0.02 . 1 . . . . 103 ALA H . 7054 1 1038 . 1 1 103 103 ALA HA H 1 3.87 0.02 . 1 . . . . 103 ALA HA . 7054 1 1039 . 1 1 103 103 ALA HB1 H 1 1.34 0.02 . 1 . . . . 103 ALA HB . 7054 1 1040 . 1 1 103 103 ALA HB2 H 1 1.34 0.02 . 1 . . . . 103 ALA HB . 7054 1 1041 . 1 1 103 103 ALA HB3 H 1 1.34 0.02 . 1 . . . . 103 ALA HB . 7054 1 1042 . 1 1 103 103 ALA C C 13 178.5 0.2 . 1 . . . . 103 ALA C . 7054 1 1043 . 1 1 103 103 ALA CA C 13 55.2 0.2 . 1 . . . . 103 ALA CA . 7054 1 1044 . 1 1 103 103 ALA CB C 13 19.1 0.2 . 1 . . . . 103 ALA CB . 7054 1 1045 . 1 1 103 103 ALA N N 15 119.3 0.2 . 1 . . . . 103 ALA N . 7054 1 1046 . 1 1 104 104 ARG H H 1 7.27 0.02 . 1 . . . . 104 ARG H . 7054 1 1047 . 1 1 104 104 ARG HA H 1 4.15 0.02 . 1 . . . . 104 ARG HA . 7054 1 1048 . 1 1 104 104 ARG HB2 H 1 1.96 0.02 . 2 . . . . 104 ARG HB2 . 7054 1 1049 . 1 1 104 104 ARG HB3 H 1 2.01 0.02 . 2 . . . . 104 ARG HB3 . 7054 1 1050 . 1 1 104 104 ARG HG2 H 1 1.65 0.02 . 2 . . . . 104 ARG HG2 . 7054 1 1051 . 1 1 104 104 ARG HG3 H 1 1.87 0.02 . 2 . . . . 104 ARG HG3 . 7054 1 1052 . 1 1 104 104 ARG HD2 H 1 3.26 0.02 . 2 . . . . 104 ARG HD2 . 7054 1 1053 . 1 1 104 104 ARG HD3 H 1 3.28 0.02 . 2 . . . . 104 ARG HD3 . 7054 1 1054 . 1 1 104 104 ARG C C 13 175.8 0.2 . 1 . . . . 104 ARG C . 7054 1 1055 . 1 1 104 104 ARG CA C 13 59.5 0.2 . 1 . . . . 104 ARG CA . 7054 1 1056 . 1 1 104 104 ARG CB C 13 30.5 0.2 . 1 . . . . 104 ARG CB . 7054 1 1057 . 1 1 104 104 ARG CG C 13 27.4 0.2 . 1 . . . . 104 ARG CG . 7054 1 1058 . 1 1 104 104 ARG CD C 13 43.4 0.2 . 1 . . . . 104 ARG CD . 7054 1 1059 . 1 1 104 104 ARG N N 15 116.3 0.2 . 1 . . . . 104 ARG N . 7054 1 1060 . 1 1 105 105 THR H H 1 8.27 0.02 . 1 . . . . 105 THR H . 7054 1 1061 . 1 1 105 105 THR HA H 1 3.88 0.02 . 1 . . . . 105 THR HA . 7054 1 1062 . 1 1 105 105 THR HB H 1 4.10 0.02 . 1 . . . . 105 THR HB . 7054 1 1063 . 1 1 105 105 THR HG21 H 1 1.22 0.02 . 1 . . . . 105 THR HG2 . 7054 1 1064 . 1 1 105 105 THR HG22 H 1 1.22 0.02 . 1 . . . . 105 THR HG2 . 7054 1 1065 . 1 1 105 105 THR HG23 H 1 1.22 0.02 . 1 . . . . 105 THR HG2 . 7054 1 1066 . 1 1 105 105 THR C C 13 175.4 0.2 . 1 . . . . 105 THR C . 7054 1 1067 . 1 1 105 105 THR CA C 13 67.2 0.2 . 1 . . . . 105 THR CA . 7054 1 1068 . 1 1 105 105 THR CB C 13 68.6 0.2 . 1 . . . . 105 THR CB . 7054 1 1069 . 1 1 105 105 THR CG2 C 13 22.0 0.2 . 1 . . . . 105 THR CG2 . 7054 1 1070 . 1 1 105 105 THR N N 15 117.2 0.2 . 1 . . . . 105 THR N . 7054 1 1071 . 1 1 106 106 TYR H H 1 9.04 0.02 . 1 . . . . 106 TYR H . 7054 1 1072 . 1 1 106 106 TYR HA H 1 3.70 0.02 . 1 . . . . 106 TYR HA . 7054 1 1073 . 1 1 106 106 TYR HB2 H 1 2.90 0.02 . 2 . . . . 106 TYR HB2 . 7054 1 1074 . 1 1 106 106 TYR HB3 H 1 3.19 0.02 . 2 . . . . 106 TYR HB3 . 7054 1 1075 . 1 1 106 106 TYR HD1 H 1 6.86 0.02 . 3 . . . . 106 TYR HD1 . 7054 1 1076 . 1 1 106 106 TYR HE1 H 1 6.72 0.02 . 3 . . . . 106 TYR HE1 . 7054 1 1077 . 1 1 106 106 TYR C C 13 175.6 0.2 . 1 . . . . 106 TYR C . 7054 1 1078 . 1 1 106 106 TYR CA C 13 62.7 0.2 . 1 . . . . 106 TYR CA . 7054 1 1079 . 1 1 106 106 TYR CB C 13 38.7 0.2 . 1 . . . . 106 TYR CB . 7054 1 1080 . 1 1 106 106 TYR CD1 C 13 133.9 0.2 . 3 . . . . 106 TYR CD1 . 7054 1 1081 . 1 1 106 106 TYR CE1 C 13 117.4 0.2 . 3 . . . . 106 TYR CE1 . 7054 1 1082 . 1 1 106 106 TYR N N 15 123.9 0.2 . 1 . . . . 106 TYR N . 7054 1 1083 . 1 1 107 107 ASN H H 1 7.73 0.02 . 1 . . . . 107 ASN H . 7054 1 1084 . 1 1 107 107 ASN HA H 1 4.31 0.02 . 1 . . . . 107 ASN HA . 7054 1 1085 . 1 1 107 107 ASN HB2 H 1 2.87 0.02 . 2 . . . . 107 ASN HB2 . 7054 1 1086 . 1 1 107 107 ASN HB3 H 1 3.02 0.02 . 2 . . . . 107 ASN HB3 . 7054 1 1087 . 1 1 107 107 ASN C C 13 178.9 0.2 . 1 . . . . 107 ASN C . 7054 1 1088 . 1 1 107 107 ASN CA C 13 56.3 0.2 . 1 . . . . 107 ASN CA . 7054 1 1089 . 1 1 107 107 ASN CB C 13 38.1 0.2 . 1 . . . . 107 ASN CB . 7054 1 1090 . 1 1 107 107 ASN N N 15 116.7 0.2 . 1 . . . . 107 ASN N . 7054 1 1091 . 1 1 108 108 VAL H H 1 7.61 0.02 . 1 . . . . 108 VAL H . 7054 1 1092 . 1 1 108 108 VAL HA H 1 3.66 0.02 . 1 . . . . 108 VAL HA . 7054 1 1093 . 1 1 108 108 VAL HB H 1 2.22 0.02 . 1 . . . . 108 VAL HB . 7054 1 1094 . 1 1 108 108 VAL HG11 H 1 0.91 0.02 . 1 . . . . 108 VAL HG1 . 7054 1 1095 . 1 1 108 108 VAL HG12 H 1 0.91 0.02 . 1 . . . . 108 VAL HG1 . 7054 1 1096 . 1 1 108 108 VAL HG13 H 1 0.91 0.02 . 1 . . . . 108 VAL HG1 . 7054 1 1097 . 1 1 108 108 VAL HG21 H 1 1.10 0.02 . 1 . . . . 108 VAL HG2 . 7054 1 1098 . 1 1 108 108 VAL HG22 H 1 1.10 0.02 . 1 . . . . 108 VAL HG2 . 7054 1 1099 . 1 1 108 108 VAL HG23 H 1 1.10 0.02 . 1 . . . . 108 VAL HG2 . 7054 1 1100 . 1 1 108 108 VAL C C 13 178.8 0.2 . 1 . . . . 108 VAL C . 7054 1 1101 . 1 1 108 108 VAL CA C 13 66.8 0.2 . 1 . . . . 108 VAL CA . 7054 1 1102 . 1 1 108 108 VAL CB C 13 32.0 0.2 . 1 . . . . 108 VAL CB . 7054 1 1103 . 1 1 108 108 VAL CG1 C 13 21.1 0.2 . 1 . . . . 108 VAL CG1 . 7054 1 1104 . 1 1 108 108 VAL CG2 C 13 22.3 0.2 . 1 . . . . 108 VAL CG2 . 7054 1 1105 . 1 1 108 108 VAL N N 15 121.1 0.2 . 1 . . . . 108 VAL N . 7054 1 1106 . 1 1 109 109 LEU H H 1 8.33 0.02 . 1 . . . . 109 LEU H . 7054 1 1107 . 1 1 109 109 LEU HA H 1 3.94 0.02 . 1 . . . . 109 LEU HA . 7054 1 1108 . 1 1 109 109 LEU HB2 H 1 0.99 0.02 . 2 . . . . 109 LEU HB2 . 7054 1 1109 . 1 1 109 109 LEU HB3 H 1 1.65 0.02 . 2 . . . . 109 LEU HB3 . 7054 1 1110 . 1 1 109 109 LEU HG H 1 1.84 0.02 . 1 . . . . 109 LEU HG . 7054 1 1111 . 1 1 109 109 LEU HD11 H 1 0.79 0.02 . 1 . . . . 109 LEU HD1 . 7054 1 1112 . 1 1 109 109 LEU HD12 H 1 0.79 0.02 . 1 . . . . 109 LEU HD1 . 7054 1 1113 . 1 1 109 109 LEU HD13 H 1 0.79 0.02 . 1 . . . . 109 LEU HD1 . 7054 1 1114 . 1 1 109 109 LEU HD21 H 1 0.77 0.02 . 1 . . . . 109 LEU HD2 . 7054 1 1115 . 1 1 109 109 LEU HD22 H 1 0.77 0.02 . 1 . . . . 109 LEU HD2 . 7054 1 1116 . 1 1 109 109 LEU HD23 H 1 0.77 0.02 . 1 . . . . 109 LEU HD2 . 7054 1 1117 . 1 1 109 109 LEU C C 13 179.4 0.2 . 1 . . . . 109 LEU C . 7054 1 1118 . 1 1 109 109 LEU CA C 13 58.2 0.2 . 1 . . . . 109 LEU CA . 7054 1 1119 . 1 1 109 109 LEU CB C 13 42.0 0.2 . 1 . . . . 109 LEU CB . 7054 1 1120 . 1 1 109 109 LEU CG C 13 27.3 0.2 . 1 . . . . 109 LEU CG . 7054 1 1121 . 1 1 109 109 LEU CD1 C 13 26.0 0.2 . 1 . . . . 109 LEU CD1 . 7054 1 1122 . 1 1 109 109 LEU CD2 C 13 22.6 0.2 . 1 . . . . 109 LEU CD2 . 7054 1 1123 . 1 1 109 109 LEU N N 15 120.4 0.2 . 1 . . . . 109 LEU N . 7054 1 1124 . 1 1 110 110 ALA H H 1 9.16 0.02 . 1 . . . . 110 ALA H . 7054 1 1125 . 1 1 110 110 ALA HA H 1 3.89 0.02 . 1 . . . . 110 ALA HA . 7054 1 1126 . 1 1 110 110 ALA HB1 H 1 0.65 0.02 . 1 . . . . 110 ALA HB . 7054 1 1127 . 1 1 110 110 ALA HB2 H 1 0.65 0.02 . 1 . . . . 110 ALA HB . 7054 1 1128 . 1 1 110 110 ALA HB3 H 1 0.65 0.02 . 1 . . . . 110 ALA HB . 7054 1 1129 . 1 1 110 110 ALA C C 13 182.1 0.2 . 1 . . . . 110 ALA C . 7054 1 1130 . 1 1 110 110 ALA CA C 13 55.0 0.2 . 1 . . . . 110 ALA CA . 7054 1 1131 . 1 1 110 110 ALA CB C 13 16.7 0.2 . 1 . . . . 110 ALA CB . 7054 1 1132 . 1 1 110 110 ALA N N 15 121.9 0.2 . 1 . . . . 110 ALA N . 7054 1 1133 . 1 1 111 111 SER H H 1 7.67 0.02 . 1 . . . . 111 SER H . 7054 1 1134 . 1 1 111 111 SER HA H 1 4.27 0.02 . 1 . . . . 111 SER HA . 7054 1 1135 . 1 1 111 111 SER HB2 H 1 4.12 0.02 . 2 . . . . 111 SER HB2 . 7054 1 1136 . 1 1 111 111 SER HB3 H 1 4.14 0.02 . 2 . . . . 111 SER HB3 . 7054 1 1137 . 1 1 111 111 SER C C 13 175.3 0.2 . 1 . . . . 111 SER C . 7054 1 1138 . 1 1 111 111 SER CA C 13 61.5 0.2 . 1 . . . . 111 SER CA . 7054 1 1139 . 1 1 111 111 SER CB C 13 62.9 0.2 . 1 . . . . 111 SER CB . 7054 1 1140 . 1 1 111 111 SER N N 15 115.1 0.2 . 1 . . . . 111 SER N . 7054 1 1141 . 1 1 112 112 GLU H H 1 7.39 0.02 . 1 . . . . 112 GLU H . 7054 1 1142 . 1 1 112 112 GLU HA H 1 4.34 0.02 . 1 . . . . 112 GLU HA . 7054 1 1143 . 1 1 112 112 GLU HB2 H 1 2.13 0.02 . 2 . . . . 112 GLU HB2 . 7054 1 1144 . 1 1 112 112 GLU HB3 H 1 2.23 0.02 . 2 . . . . 112 GLU HB3 . 7054 1 1145 . 1 1 112 112 GLU HG2 H 1 2.27 0.02 . 2 . . . . 112 GLU HG2 . 7054 1 1146 . 1 1 112 112 GLU HG3 H 1 2.52 0.02 . 2 . . . . 112 GLU HG3 . 7054 1 1147 . 1 1 112 112 GLU C C 13 176.9 0.2 . 1 . . . . 112 GLU C . 7054 1 1148 . 1 1 112 112 GLU CA C 13 56.4 0.2 . 1 . . . . 112 GLU CA . 7054 1 1149 . 1 1 112 112 GLU CB C 13 30.4 0.2 . 1 . . . . 112 GLU CB . 7054 1 1150 . 1 1 112 112 GLU CG C 13 36.3 0.2 . 1 . . . . 112 GLU CG . 7054 1 1151 . 1 1 112 112 GLU N N 15 119.9 0.2 . 1 . . . . 112 GLU N . 7054 1 1152 . 1 1 113 113 GLY H H 1 7.84 0.02 . 1 . . . . 113 GLY H . 7054 1 1153 . 1 1 113 113 GLY HA2 H 1 3.80 0.02 . 2 . . . . 113 GLY HA2 . 7054 1 1154 . 1 1 113 113 GLY HA3 H 1 4.13 0.02 . 2 . . . . 113 GLY HA3 . 7054 1 1155 . 1 1 113 113 GLY C C 13 174.8 0.2 . 1 . . . . 113 GLY C . 7054 1 1156 . 1 1 113 113 GLY CA C 13 45.6 0.2 . 1 . . . . 113 GLY CA . 7054 1 1157 . 1 1 113 113 GLY N N 15 107.1 0.2 . 1 . . . . 113 GLY N . 7054 1 1158 . 1 1 114 114 ARG H H 1 7.58 0.02 . 1 . . . . 114 ARG H . 7054 1 1159 . 1 1 114 114 ARG HA H 1 4.27 0.02 . 1 . . . . 114 ARG HA . 7054 1 1160 . 1 1 114 114 ARG HB2 H 1 1.47 0.02 . 2 . . . . 114 ARG HB2 . 7054 1 1161 . 1 1 114 114 ARG HB3 H 1 1.49 0.02 . 2 . . . . 114 ARG HB3 . 7054 1 1162 . 1 1 114 114 ARG HG2 H 1 1.59 0.02 . 2 . . . . 114 ARG HG2 . 7054 1 1163 . 1 1 114 114 ARG HG3 H 1 1.62 0.02 . 2 . . . . 114 ARG HG3 . 7054 1 1164 . 1 1 114 114 ARG HD2 H 1 3.07 0.02 . 2 . . . . 114 ARG HD2 . 7054 1 1165 . 1 1 114 114 ARG HD3 H 1 3.11 0.02 . 2 . . . . 114 ARG HD3 . 7054 1 1166 . 1 1 114 114 ARG HE H 1 6.97 0.02 . 1 . . . . 114 ARG HE . 7054 1 1167 . 1 1 114 114 ARG C C 13 177.2 0.2 . 1 . . . . 114 ARG C . 7054 1 1168 . 1 1 114 114 ARG CA C 13 54.7 0.2 . 1 . . . . 114 ARG CA . 7054 1 1169 . 1 1 114 114 ARG CB C 13 30.7 0.2 . 1 . . . . 114 ARG CB . 7054 1 1170 . 1 1 114 114 ARG CG C 13 27.1 0.2 . 1 . . . . 114 ARG CG . 7054 1 1171 . 1 1 114 114 ARG CD C 13 42.7 0.2 . 1 . . . . 114 ARG CD . 7054 1 1172 . 1 1 114 114 ARG N N 15 118.1 0.2 . 1 . . . . 114 ARG N . 7054 1 1173 . 1 1 115 115 ARG H H 1 8.98 0.02 . 1 . . . . 115 ARG H . 7054 1 1174 . 1 1 115 115 ARG HA H 1 4.34 0.02 . 1 . . . . 115 ARG HA . 7054 1 1175 . 1 1 115 115 ARG HB2 H 1 1.76 0.02 . 2 . . . . 115 ARG HB2 . 7054 1 1176 . 1 1 115 115 ARG HB3 H 1 1.91 0.02 . 2 . . . . 115 ARG HB3 . 7054 1 1177 . 1 1 115 115 ARG HG2 H 1 1.59 0.02 . 2 . . . . 115 ARG HG2 . 7054 1 1178 . 1 1 115 115 ARG HD2 H 1 3.29 0.02 . 2 . . . . 115 ARG HD2 . 7054 1 1179 . 1 1 115 115 ARG HD3 H 1 3.39 0.02 . 2 . . . . 115 ARG HD3 . 7054 1 1180 . 1 1 115 115 ARG HE H 1 6.97 0.02 . 1 . . . . 115 ARG HE . 7054 1 1181 . 1 1 115 115 ARG C C 13 174.6 0.2 . 1 . . . . 115 ARG C . 7054 1 1182 . 1 1 115 115 ARG CA C 13 55.3 0.2 . 1 . . . . 115 ARG CA . 7054 1 1183 . 1 1 115 115 ARG CB C 13 27.7 0.2 . 1 . . . . 115 ARG CB . 7054 1 1184 . 1 1 115 115 ARG CG C 13 28.1 0.2 . 1 . . . . 115 ARG CG . 7054 1 1185 . 1 1 115 115 ARG CD C 13 42.8 0.2 . 1 . . . . 115 ARG CD . 7054 1 1186 . 1 1 115 115 ARG N N 15 125.8 0.2 . 1 . . . . 115 ARG N . 7054 1 1187 . 1 1 115 115 ARG NE N 15 82.7 0.2 . 1 . . . . 115 ARG NE . 7054 1 1188 . 1 1 116 116 VAL H H 1 7.61 0.02 . 1 . . . . 116 VAL H . 7054 1 1189 . 1 1 116 116 VAL HA H 1 4.60 0.02 . 1 . . . . 116 VAL HA . 7054 1 1190 . 1 1 116 116 VAL HB H 1 1.56 0.02 . 1 . . . . 116 VAL HB . 7054 1 1191 . 1 1 116 116 VAL HG11 H 1 0.84 0.02 . 1 . . . . 116 VAL HG1 . 7054 1 1192 . 1 1 116 116 VAL HG12 H 1 0.84 0.02 . 1 . . . . 116 VAL HG1 . 7054 1 1193 . 1 1 116 116 VAL HG13 H 1 0.84 0.02 . 1 . . . . 116 VAL HG1 . 7054 1 1194 . 1 1 116 116 VAL HG21 H 1 0.90 0.02 . 1 . . . . 116 VAL HG2 . 7054 1 1195 . 1 1 116 116 VAL HG22 H 1 0.90 0.02 . 1 . . . . 116 VAL HG2 . 7054 1 1196 . 1 1 116 116 VAL HG23 H 1 0.90 0.02 . 1 . . . . 116 VAL HG2 . 7054 1 1197 . 1 1 116 116 VAL C C 13 171.7 0.2 . 1 . . . . 116 VAL C . 7054 1 1198 . 1 1 116 116 VAL CA C 13 58.4 0.2 . 1 . . . . 116 VAL CA . 7054 1 1199 . 1 1 116 116 VAL CB C 13 33.5 0.2 . 1 . . . . 116 VAL CB . 7054 1 1200 . 1 1 116 116 VAL CG1 C 13 17.9 0.2 . 1 . . . . 116 VAL CG1 . 7054 1 1201 . 1 1 116 116 VAL CG2 C 13 23.0 0.2 . 1 . . . . 116 VAL CG2 . 7054 1 1202 . 1 1 116 116 VAL N N 15 124.0 0.2 . 1 . . . . 116 VAL N . 7054 1 1203 . 1 1 117 117 ALA H H 1 8.07 0.02 . 1 . . . . 117 ALA H . 7054 1 1204 . 1 1 117 117 ALA HA H 1 5.47 0.02 . 1 . . . . 117 ALA HA . 7054 1 1205 . 1 1 117 117 ALA HB1 H 1 1.08 0.02 . 1 . . . . 117 ALA HB . 7054 1 1206 . 1 1 117 117 ALA HB2 H 1 1.08 0.02 . 1 . . . . 117 ALA HB . 7054 1 1207 . 1 1 117 117 ALA HB3 H 1 1.08 0.02 . 1 . . . . 117 ALA HB . 7054 1 1208 . 1 1 117 117 ALA C C 13 174.6 0.2 . 1 . . . . 117 ALA C . 7054 1 1209 . 1 1 117 117 ALA CA C 13 50.0 0.2 . 1 . . . . 117 ALA CA . 7054 1 1210 . 1 1 117 117 ALA CB C 13 22.1 0.2 . 1 . . . . 117 ALA CB . 7054 1 1211 . 1 1 117 117 ALA N N 15 124.5 0.2 . 1 . . . . 117 ALA N . 7054 1 1212 . 1 1 118 118 LEU H H 1 9.56 0.02 . 1 . . . . 118 LEU H . 7054 1 1213 . 1 1 118 118 LEU HA H 1 4.96 0.02 . 1 . . . . 118 LEU HA . 7054 1 1214 . 1 1 118 118 LEU HB2 H 1 1.10 0.02 . 2 . . . . 118 LEU HB2 . 7054 1 1215 . 1 1 118 118 LEU HB3 H 1 1.64 0.02 . 2 . . . . 118 LEU HB3 . 7054 1 1216 . 1 1 118 118 LEU HG H 1 1.09 0.02 . 1 . . . . 118 LEU HG . 7054 1 1217 . 1 1 118 118 LEU HD11 H 1 0.55 0.02 . 1 . . . . 118 LEU HD1 . 7054 1 1218 . 1 1 118 118 LEU HD12 H 1 0.55 0.02 . 1 . . . . 118 LEU HD1 . 7054 1 1219 . 1 1 118 118 LEU HD13 H 1 0.55 0.02 . 1 . . . . 118 LEU HD1 . 7054 1 1220 . 1 1 118 118 LEU HD21 H 1 0.46 0.02 . 1 . . . . 118 LEU HD2 . 7054 1 1221 . 1 1 118 118 LEU HD22 H 1 0.46 0.02 . 1 . . . . 118 LEU HD2 . 7054 1 1222 . 1 1 118 118 LEU HD23 H 1 0.46 0.02 . 1 . . . . 118 LEU HD2 . 7054 1 1223 . 1 1 118 118 LEU C C 13 172.9 0.2 . 1 . . . . 118 LEU C . 7054 1 1224 . 1 1 118 118 LEU CA C 13 52.7 0.2 . 1 . . . . 118 LEU CA . 7054 1 1225 . 1 1 118 118 LEU CB C 13 44.6 0.2 . 1 . . . . 118 LEU CB . 7054 1 1226 . 1 1 118 118 LEU CG C 13 27.5 0.2 . 1 . . . . 118 LEU CG . 7054 1 1227 . 1 1 118 118 LEU CD1 C 13 24.7 0.2 . 1 . . . . 118 LEU CD1 . 7054 1 1228 . 1 1 118 118 LEU CD2 C 13 26.6 0.2 . 1 . . . . 118 LEU CD2 . 7054 1 1229 . 1 1 118 118 LEU N N 15 125.6 0.2 . 1 . . . . 118 LEU N . 7054 1 1230 . 1 1 119 119 ALA H H 1 8.97 0.02 . 1 . . . . 119 ALA H . 7054 1 1231 . 1 1 119 119 ALA HA H 1 4.34 0.02 . 1 . . . . 119 ALA HA . 7054 1 1232 . 1 1 119 119 ALA HB1 H 1 0.49 0.02 . 1 . . . . 119 ALA HB . 7054 1 1233 . 1 1 119 119 ALA HB2 H 1 0.49 0.02 . 1 . . . . 119 ALA HB . 7054 1 1234 . 1 1 119 119 ALA HB3 H 1 0.49 0.02 . 1 . . . . 119 ALA HB . 7054 1 1235 . 1 1 119 119 ALA C C 13 173.6 0.2 . 1 . . . . 119 ALA C . 7054 1 1236 . 1 1 119 119 ALA CA C 13 49.9 0.2 . 1 . . . . 119 ALA CA . 7054 1 1237 . 1 1 119 119 ALA CB C 13 18.7 0.2 . 1 . . . . 119 ALA CB . 7054 1 1238 . 1 1 119 119 ALA N N 15 132.5 0.2 . 1 . . . . 119 ALA N . 7054 1 1239 . 1 1 120 120 MET H H 1 8.31 0.02 . 1 . . . . 120 MET H . 7054 1 1240 . 1 1 120 120 MET HA H 1 4.32 0.02 . 1 . . . . 120 MET HA . 7054 1 1241 . 1 1 120 120 MET HB2 H 1 0.75 0.02 . 2 . . . . 120 MET HB2 . 7054 1 1242 . 1 1 120 120 MET HB3 H 1 0.91 0.02 . 2 . . . . 120 MET HB3 . 7054 1 1243 . 1 1 120 120 MET HG2 H 1 1.91 0.02 . 2 . . . . 120 MET HG2 . 7054 1 1244 . 1 1 120 120 MET HG3 H 1 1.94 0.02 . 2 . . . . 120 MET HG3 . 7054 1 1245 . 1 1 120 120 MET HE1 H 1 1.84 0.02 . 1 . . . . 120 MET HE . 7054 1 1246 . 1 1 120 120 MET HE2 H 1 1.84 0.02 . 1 . . . . 120 MET HE . 7054 1 1247 . 1 1 120 120 MET HE3 H 1 1.84 0.02 . 1 . . . . 120 MET HE . 7054 1 1248 . 1 1 120 120 MET C C 13 173.3 0.2 . 1 . . . . 120 MET C . 7054 1 1249 . 1 1 120 120 MET CA C 13 55.1 0.2 . 1 . . . . 120 MET CA . 7054 1 1250 . 1 1 120 120 MET CB C 13 35.1 0.2 . 1 . . . . 120 MET CB . 7054 1 1251 . 1 1 120 120 MET CG C 13 33.2 0.2 . 1 . . . . 120 MET CG . 7054 1 1252 . 1 1 120 120 MET CE C 13 18.2 0.2 . 1 . . . . 120 MET CE . 7054 1 1253 . 1 1 120 120 MET N N 15 124.1 0.2 . 1 . . . . 120 MET N . 7054 1 1254 . 1 1 121 121 ILE H H 1 8.30 0.02 . 1 . . . . 121 ILE H . 7054 1 1255 . 1 1 121 121 ILE HA H 1 4.53 0.02 . 1 . . . . 121 ILE HA . 7054 1 1256 . 1 1 121 121 ILE HB H 1 1.83 0.02 . 1 . . . . 121 ILE HB . 7054 1 1257 . 1 1 121 121 ILE HG12 H 1 0.69 0.02 . 2 . . . . 121 ILE HG12 . 7054 1 1258 . 1 1 121 121 ILE HG13 H 1 1.87 0.02 . 2 . . . . 121 ILE HG13 . 7054 1 1259 . 1 1 121 121 ILE HG21 H 1 0.47 0.02 . 1 . . . . 121 ILE HG2 . 7054 1 1260 . 1 1 121 121 ILE HG22 H 1 0.47 0.02 . 1 . . . . 121 ILE HG2 . 7054 1 1261 . 1 1 121 121 ILE HG23 H 1 0.47 0.02 . 1 . . . . 121 ILE HG2 . 7054 1 1262 . 1 1 121 121 ILE HD11 H 1 0.64 0.02 . 1 . . . . 121 ILE HD1 . 7054 1 1263 . 1 1 121 121 ILE HD12 H 1 0.64 0.02 . 1 . . . . 121 ILE HD1 . 7054 1 1264 . 1 1 121 121 ILE HD13 H 1 0.64 0.02 . 1 . . . . 121 ILE HD1 . 7054 1 1265 . 1 1 121 121 ILE C C 13 176.5 0.2 . 1 . . . . 121 ILE C . 7054 1 1266 . 1 1 121 121 ILE CA C 13 60.6 0.2 . 1 . . . . 121 ILE CA . 7054 1 1267 . 1 1 121 121 ILE CB C 13 37.2 0.2 . 1 . . . . 121 ILE CB . 7054 1 1268 . 1 1 121 121 ILE CG1 C 13 27.8 0.2 . 1 . . . . 121 ILE CG1 . 7054 1 1269 . 1 1 121 121 ILE CG2 C 13 16.4 0.2 . 1 . . . . 121 ILE CG2 . 7054 1 1270 . 1 1 121 121 ILE CD1 C 13 14.4 0.2 . 1 . . . . 121 ILE CD1 . 7054 1 1271 . 1 1 121 121 ILE N N 15 127.4 0.2 . 1 . . . . 121 ILE N . 7054 1 1272 . 1 1 122 122 VAL H H 1 8.32 0.02 . 1 . . . . 122 VAL H . 7054 1 1273 . 1 1 122 122 VAL HA H 1 4.15 0.02 . 1 . . . . 122 VAL HA . 7054 1 1274 . 1 1 122 122 VAL HB H 1 1.40 0.02 . 1 . . . . 122 VAL HB . 7054 1 1275 . 1 1 122 122 VAL HG11 H 1 0.57 0.02 . 1 . . . . 122 VAL HG1 . 7054 1 1276 . 1 1 122 122 VAL HG12 H 1 0.57 0.02 . 1 . . . . 122 VAL HG1 . 7054 1 1277 . 1 1 122 122 VAL HG13 H 1 0.57 0.02 . 1 . . . . 122 VAL HG1 . 7054 1 1278 . 1 1 122 122 VAL HG21 H 1 0.61 0.02 . 1 . . . . 122 VAL HG2 . 7054 1 1279 . 1 1 122 122 VAL HG22 H 1 0.61 0.02 . 1 . . . . 122 VAL HG2 . 7054 1 1280 . 1 1 122 122 VAL HG23 H 1 0.61 0.02 . 1 . . . . 122 VAL HG2 . 7054 1 1281 . 1 1 122 122 VAL C C 13 174.6 0.2 . 1 . . . . 122 VAL C . 7054 1 1282 . 1 1 122 122 VAL CA C 13 60.6 0.2 . 1 . . . . 122 VAL CA . 7054 1 1283 . 1 1 122 122 VAL CB C 13 34.8 0.2 . 1 . . . . 122 VAL CB . 7054 1 1284 . 1 1 122 122 VAL CG1 C 13 21.8 0.2 . 1 . . . . 122 VAL CG1 . 7054 1 1285 . 1 1 122 122 VAL CG2 C 13 21.2 0.2 . 1 . . . . 122 VAL CG2 . 7054 1 1286 . 1 1 122 122 VAL N N 15 128.4 0.2 . 1 . . . . 122 VAL N . 7054 1 1287 . 1 1 123 123 GLY H H 1 8.25 0.02 . 1 . . . . 123 GLY H . 7054 1 1288 . 1 1 123 123 GLY HA2 H 1 4.11 0.02 . 2 . . . . 123 GLY HA2 . 7054 1 1289 . 1 1 123 123 GLY HA3 H 1 4.22 0.02 . 2 . . . . 123 GLY HA3 . 7054 1 1290 . 1 1 123 123 GLY C C 13 174.3 0.2 . 1 . . . . 123 GLY C . 7054 1 1291 . 1 1 123 123 GLY CA C 13 45.6 0.2 . 1 . . . . 123 GLY CA . 7054 1 1292 . 1 1 123 123 GLY N N 15 110.8 0.2 . 1 . . . . 123 GLY N . 7054 1 1293 . 1 1 124 124 GLY H H 1 8.35 0.02 . 1 . . . . 124 GLY H . 7054 1 1294 . 1 1 124 124 GLY HA2 H 1 4.04 0.02 . 2 . . . . 124 GLY HA2 . 7054 1 1295 . 1 1 124 124 GLY HA3 H 1 4.12 0.02 . 2 . . . . 124 GLY HA3 . 7054 1 1296 . 1 1 124 124 GLY C C 13 174.4 0.2 . 1 . . . . 124 GLY C . 7054 1 1297 . 1 1 124 124 GLY CA C 13 45.5 0.2 . 1 . . . . 124 GLY CA . 7054 1 1298 . 1 1 124 124 GLY N N 15 108.7 0.2 . 1 . . . . 124 GLY N . 7054 1 1299 . 1 1 125 125 LEU H H 1 8.31 0.02 . 1 . . . . 125 LEU H . 7054 1 1300 . 1 1 125 125 LEU HA H 1 4.33 0.02 . 1 . . . . 125 LEU HA . 7054 1 1301 . 1 1 125 125 LEU HB2 H 1 1.50 0.02 . 2 . . . . 125 LEU HB2 . 7054 1 1302 . 1 1 125 125 LEU HB3 H 1 1.58 0.02 . 2 . . . . 125 LEU HB3 . 7054 1 1303 . 1 1 125 125 LEU HG H 1 1.61 0.02 . 1 . . . . 125 LEU HG . 7054 1 1304 . 1 1 125 125 LEU HD11 H 1 0.92 0.02 . 1 . . . . 125 LEU HD1 . 7054 1 1305 . 1 1 125 125 LEU HD12 H 1 0.92 0.02 . 1 . . . . 125 LEU HD1 . 7054 1 1306 . 1 1 125 125 LEU HD13 H 1 0.92 0.02 . 1 . . . . 125 LEU HD1 . 7054 1 1307 . 1 1 125 125 LEU HD21 H 1 0.89 0.02 . 1 . . . . 125 LEU HD2 . 7054 1 1308 . 1 1 125 125 LEU HD22 H 1 0.89 0.02 . 1 . . . . 125 LEU HD2 . 7054 1 1309 . 1 1 125 125 LEU HD23 H 1 0.89 0.02 . 1 . . . . 125 LEU HD2 . 7054 1 1310 . 1 1 125 125 LEU C C 13 177.5 0.2 . 1 . . . . 125 LEU C . 7054 1 1311 . 1 1 125 125 LEU CA C 13 55.4 0.2 . 1 . . . . 125 LEU CA . 7054 1 1312 . 1 1 125 125 LEU CB C 13 42.5 0.2 . 1 . . . . 125 LEU CB . 7054 1 1313 . 1 1 125 125 LEU CG C 13 27.1 0.2 . 1 . . . . 125 LEU CG . 7054 1 1314 . 1 1 125 125 LEU CD1 C 13 24.7 0.2 . 1 . . . . 125 LEU CD1 . 7054 1 1315 . 1 1 125 125 LEU CD2 C 13 23.7 0.2 . 1 . . . . 125 LEU CD2 . 7054 1 1316 . 1 1 125 125 LEU N N 15 121.3 0.2 . 1 . . . . 125 LEU N . 7054 1 1317 . 1 1 126 126 GLU H H 1 8.53 0.02 . 1 . . . . 126 GLU H . 7054 1 1318 . 1 1 126 126 GLU C C 13 176.3 0.2 . 1 . . . . 126 GLU C . 7054 1 1319 . 1 1 126 126 GLU CA C 13 56.7 0.2 . 1 . . . . 126 GLU CA . 7054 1 1320 . 1 1 126 126 GLU CB C 13 30.2 0.2 . 1 . . . . 126 GLU CB . 7054 1 1321 . 1 1 126 126 GLU CG C 13 36.1 0.2 . 1 . . . . 126 GLU CG . 7054 1 1322 . 1 1 126 126 GLU N N 15 121.4 0.2 . 1 . . . . 126 GLU N . 7054 1 1323 . 1 1 127 127 HIS H H 1 8.29 0.02 . 1 . . . . 127 HIS H . 7054 1 1324 . 1 1 127 127 HIS CA C 13 56.5 0.2 . 1 . . . . 127 HIS CA . 7054 1 1325 . 1 1 127 127 HIS CB C 13 30.4 0.2 . 1 . . . . 127 HIS CB . 7054 1 1326 . 1 1 127 127 HIS N N 15 120.1 0.2 . 1 . . . . 127 HIS N . 7054 1 stop_ save_