data_16977 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16977 _Entry.Title ; Resonance assignment of nsp7a from arterivirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-07 _Entry.Accession_date 2010-06-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Maria Conte . R. . 16977 2 Cyril Gaudin . . . 16977 3 Ioannis Manolaridis . . . 16977 4 Paul Tucker . A. . 16977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 16977 '15N chemical shifts' 127 16977 '1H chemical shifts' 812 16977 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-06-08 update BMRB 'update entry citation' 16977 1 . . 2010-08-19 2010-06-08 original author 'original release' 16977 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8K 'BMRB Entry Tracking System' 16977 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16977 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20703834 _Citation.Full_citation . _Citation.Title 'Resonance assignment of nsp7 from arterivirus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 23 _Citation.Page_last 25 _Citation.Year 2011 _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 Cyril Gaudin . . . 16977 1 2 Ioannis Manolaridis . . . 16977 1 3 Paul Tucker . A. . 16977 1 4 Maria Conte . R. . 16977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16977 _Assembly.ID 1 _Assembly.Name nsp7a _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 nsp7a 1 $nsp7a A . yes native no no . . . 16977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp7a _Entity.Sf_category entity _Entity.Sf_framecode nsp7a _Entity.Entry_ID 16977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp7a _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 ; GLTATLAALTDDDFQFLSDV LDCRAVRSAMNLRAALTSFQ VAQYRNILNASLQVDRDAAR SRRLMAKLADFAVEQEVTAG DRVVVIDGLDRMAHFKDDLV LVPLTTKVVGGSRCTICDVV KEE ; _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 123 _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 2015-11-25 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 2L8K . "Nmr Structure Of The Arterivirus Nonstructural Protein 7 Alpha (Nsp7 Alpha)" . . . . . 100.00 123 100.00 100.00 8.69e-80 . . . . 16977 1 2 no DBJ BAQ56330 . "replicase [Equine arteritis virus]" . . . . . 99.19 3175 99.18 99.18 1.39e-72 . . . . 16977 1 3 no EMBL CAA69186 . "replicase ORF1a polyprotein [Cloning vector pEAV030]" . . . . . 99.19 1727 100.00 100.00 8.70e-72 . . . . 16977 1 4 no EMBL CAA69187 . "replicase ORF1b polyprotein [Cloning vector pEAV030]" . . . . . 99.19 3175 100.00 100.00 2.93e-73 . . . . 16977 1 5 no EMBL CAC42774 . "replicase ORF1a polyprotein [Equine arteritis virus]" . . . . . 99.19 1727 100.00 100.00 8.70e-72 . . . . 16977 1 6 no EMBL CAC42775 . "replicase ORF1b polyprotein [Equine arteritis virus]" . . . . . 99.19 3175 100.00 100.00 2.93e-73 . . . . 16977 1 7 no GB AAR14191 . "ORF1a polyprotein [Equine arteritis virus]" . . . . . 99.19 1728 98.36 99.18 1.18e-70 . . . . 16977 1 8 no GB AAR14192 . "ORF1ab polyprotein [Equine arteritis virus]" . . . . . 99.19 3176 98.36 99.18 3.44e-72 . . . . 16977 1 9 no GB AAR14200 . "ORF1a polyprotein [Equine arteritis virus]" . . . . . 99.19 1728 98.36 99.18 1.16e-70 . . . . 16977 1 10 no GB AAR14201 . "ORF1ab polyprotein [Equine arteritis virus]" . . . . . 99.19 3176 98.36 99.18 3.44e-72 . . . . 16977 1 11 no GB ABI64071 . "replicase polyprotein, partial [Equine arteritis virus]" . . . . . 99.19 1725 100.00 100.00 1.09e-71 . . . . 16977 1 12 no REF NP_127506 . "replicase ORF1ab polyprotein [Equine arteritis virus]" . . . . . 99.19 3175 100.00 100.00 2.93e-73 . . . . 16977 1 13 no REF NP_127507 . "replicase ORF1a polyprotein [Equine arteritis virus]" . . . . . 99.19 1727 100.00 100.00 8.70e-72 . . . . 16977 1 14 no REF NP_705589 . "nsp7 [Equine arteritis virus]" . . . . . 99.19 225 100.00 100.00 3.91e-78 . . . . 16977 1 15 no SP P19811 . "RecName: Full=Replicase polyprotein 1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Nsp1 papain-like cysteine pr" . . . . . 99.19 3175 100.00 100.00 2.93e-73 . . . . 16977 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 . GLY . 16977 1 2 . LEU . 16977 1 3 . THR . 16977 1 4 . ALA . 16977 1 5 . THR . 16977 1 6 . LEU . 16977 1 7 . ALA . 16977 1 8 . ALA . 16977 1 9 . LEU . 16977 1 10 . THR . 16977 1 11 . ASP . 16977 1 12 . ASP . 16977 1 13 . ASP . 16977 1 14 . PHE . 16977 1 15 . GLN . 16977 1 16 . PHE . 16977 1 17 . LEU . 16977 1 18 . SER . 16977 1 19 . ASP . 16977 1 20 . VAL . 16977 1 21 . LEU . 16977 1 22 . ASP . 16977 1 23 . CYS . 16977 1 24 . ARG . 16977 1 25 . ALA . 16977 1 26 . VAL . 16977 1 27 . ARG . 16977 1 28 . SER . 16977 1 29 . ALA . 16977 1 30 . MET . 16977 1 31 . ASN . 16977 1 32 . LEU . 16977 1 33 . ARG . 16977 1 34 . ALA . 16977 1 35 . ALA . 16977 1 36 . LEU . 16977 1 37 . THR . 16977 1 38 . SER . 16977 1 39 . PHE . 16977 1 40 . GLN . 16977 1 41 . VAL . 16977 1 42 . ALA . 16977 1 43 . GLN . 16977 1 44 . TYR . 16977 1 45 . ARG . 16977 1 46 . ASN . 16977 1 47 . ILE . 16977 1 48 . LEU . 16977 1 49 . ASN . 16977 1 50 . ALA . 16977 1 51 . SER . 16977 1 52 . LEU . 16977 1 53 . GLN . 16977 1 54 . VAL . 16977 1 55 . ASP . 16977 1 56 . ARG . 16977 1 57 . ASP . 16977 1 58 . ALA . 16977 1 59 . ALA . 16977 1 60 . ARG . 16977 1 61 . SER . 16977 1 62 . ARG . 16977 1 63 . ARG . 16977 1 64 . LEU . 16977 1 65 . MET . 16977 1 66 . ALA . 16977 1 67 . LYS . 16977 1 68 . LEU . 16977 1 69 . ALA . 16977 1 70 . ASP . 16977 1 71 . PHE . 16977 1 72 . ALA . 16977 1 73 . VAL . 16977 1 74 . GLU . 16977 1 75 . GLN . 16977 1 76 . GLU . 16977 1 77 . VAL . 16977 1 78 . THR . 16977 1 79 . ALA . 16977 1 80 . GLY . 16977 1 81 . ASP . 16977 1 82 . ARG . 16977 1 83 . VAL . 16977 1 84 . VAL . 16977 1 85 . VAL . 16977 1 86 . ILE . 16977 1 87 . ASP . 16977 1 88 . GLY . 16977 1 89 . LEU . 16977 1 90 . ASP . 16977 1 91 . ARG . 16977 1 92 . MET . 16977 1 93 . ALA . 16977 1 94 . HIS . 16977 1 95 . PHE . 16977 1 96 . LYS . 16977 1 97 . ASP . 16977 1 98 . ASP . 16977 1 99 . LEU . 16977 1 100 . VAL . 16977 1 101 . LEU . 16977 1 102 . VAL . 16977 1 103 . PRO . 16977 1 104 . LEU . 16977 1 105 . THR . 16977 1 106 . THR . 16977 1 107 . LYS . 16977 1 108 . VAL . 16977 1 109 . VAL . 16977 1 110 . GLY . 16977 1 111 . GLY . 16977 1 112 . SER . 16977 1 113 . ARG . 16977 1 114 . CYS . 16977 1 115 . THR . 16977 1 116 . ILE . 16977 1 117 . CYS . 16977 1 118 . ASP . 16977 1 119 . VAL . 16977 1 120 . VAL . 16977 1 121 . LYS . 16977 1 122 . GLU . 16977 1 123 . GLU . 16977 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 . GLY 1 1 16977 1 . LEU 2 2 16977 1 . THR 3 3 16977 1 . ALA 4 4 16977 1 . THR 5 5 16977 1 . LEU 6 6 16977 1 . ALA 7 7 16977 1 . ALA 8 8 16977 1 . LEU 9 9 16977 1 . THR 10 10 16977 1 . ASP 11 11 16977 1 . ASP 12 12 16977 1 . ASP 13 13 16977 1 . PHE 14 14 16977 1 . GLN 15 15 16977 1 . PHE 16 16 16977 1 . LEU 17 17 16977 1 . SER 18 18 16977 1 . ASP 19 19 16977 1 . VAL 20 20 16977 1 . LEU 21 21 16977 1 . ASP 22 22 16977 1 . CYS 23 23 16977 1 . ARG 24 24 16977 1 . ALA 25 25 16977 1 . VAL 26 26 16977 1 . ARG 27 27 16977 1 . SER 28 28 16977 1 . ALA 29 29 16977 1 . MET 30 30 16977 1 . ASN 31 31 16977 1 . LEU 32 32 16977 1 . ARG 33 33 16977 1 . ALA 34 34 16977 1 . ALA 35 35 16977 1 . LEU 36 36 16977 1 . THR 37 37 16977 1 . SER 38 38 16977 1 . PHE 39 39 16977 1 . GLN 40 40 16977 1 . VAL 41 41 16977 1 . ALA 42 42 16977 1 . GLN 43 43 16977 1 . TYR 44 44 16977 1 . ARG 45 45 16977 1 . ASN 46 46 16977 1 . ILE 47 47 16977 1 . LEU 48 48 16977 1 . ASN 49 49 16977 1 . ALA 50 50 16977 1 . SER 51 51 16977 1 . LEU 52 52 16977 1 . GLN 53 53 16977 1 . VAL 54 54 16977 1 . ASP 55 55 16977 1 . ARG 56 56 16977 1 . ASP 57 57 16977 1 . ALA 58 58 16977 1 . ALA 59 59 16977 1 . ARG 60 60 16977 1 . SER 61 61 16977 1 . ARG 62 62 16977 1 . ARG 63 63 16977 1 . LEU 64 64 16977 1 . MET 65 65 16977 1 . ALA 66 66 16977 1 . LYS 67 67 16977 1 . LEU 68 68 16977 1 . ALA 69 69 16977 1 . ASP 70 70 16977 1 . PHE 71 71 16977 1 . ALA 72 72 16977 1 . VAL 73 73 16977 1 . GLU 74 74 16977 1 . GLN 75 75 16977 1 . GLU 76 76 16977 1 . VAL 77 77 16977 1 . THR 78 78 16977 1 . ALA 79 79 16977 1 . GLY 80 80 16977 1 . ASP 81 81 16977 1 . ARG 82 82 16977 1 . VAL 83 83 16977 1 . VAL 84 84 16977 1 . VAL 85 85 16977 1 . ILE 86 86 16977 1 . ASP 87 87 16977 1 . GLY 88 88 16977 1 . LEU 89 89 16977 1 . ASP 90 90 16977 1 . ARG 91 91 16977 1 . MET 92 92 16977 1 . ALA 93 93 16977 1 . HIS 94 94 16977 1 . PHE 95 95 16977 1 . LYS 96 96 16977 1 . ASP 97 97 16977 1 . ASP 98 98 16977 1 . LEU 99 99 16977 1 . VAL 100 100 16977 1 . LEU 101 101 16977 1 . VAL 102 102 16977 1 . PRO 103 103 16977 1 . LEU 104 104 16977 1 . THR 105 105 16977 1 . THR 106 106 16977 1 . LYS 107 107 16977 1 . VAL 108 108 16977 1 . VAL 109 109 16977 1 . GLY 110 110 16977 1 . GLY 111 111 16977 1 . SER 112 112 16977 1 . ARG 113 113 16977 1 . CYS 114 114 16977 1 . THR 115 115 16977 1 . ILE 116 116 16977 1 . CYS 117 117 16977 1 . ASP 118 118 16977 1 . VAL 119 119 16977 1 . VAL 120 120 16977 1 . LYS 121 121 16977 1 . GLU 122 122 16977 1 . GLU 123 123 16977 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 16977 _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 $nsp7a . 11047 organism . 'Equine arteritis virus' 'Equine arteritis virus' 03.004.0.01.002. Virus . Arteriviridae . . . . . . . . . . . . . . . . . . . . . . . 16977 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 16977 _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 $nsp7a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-11 . . . . . . 16977 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16977 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 nsp7a '[U-100% 13C; U-100% 15N]' . . 1 $nsp7a . . . 0.4 0.6 mM . . . . 16977 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 16977 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 16977 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16977 1 5 NaCl 'natural abundance' . . . . . . 50 . . nM . . . . 16977 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16977 _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 'ionic strength' 0.05 . M 16977 1 pH 7.5 . pH 16977 1 pressure 1 . atm 16977 1 temperature 298 . K 16977 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16977 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16977 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16977 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16977 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16977 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16977 2 'peak picking' 16977 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16977 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16977 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16977 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16977 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16977 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16977 4 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16977 _Software.ID 5 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16977 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16977 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16977 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16977 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16977 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16977 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 16977 1 2 spectrometer_2 Bruker Avance . 600 . . . 16977 1 3 spectrometer_3 Varian INOVA . 800 . . . 16977 1 4 spectrometer_4 Varian INOVA . 600 . . . 16977 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16977 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16977 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16977 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16977 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16977 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16977 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16977 1 3 '3D CBCA(CO)NH' . . . 16977 1 4 '3D HNCO' . . . 16977 1 5 '3D HNCA' . . . 16977 1 6 '3D HNCACB' . . . 16977 1 7 '3D HN(CO)CA' . . . 16977 1 8 '3D HCCH-TOCSY' . . . 16977 1 9 '3D 1H-15N NOESY' . . . 16977 1 10 '3D 1H-13C NOESY' . . . 16977 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.411 0.003 . 1 . . . . 1 GLY HN . 16977 1 2 . 1 1 1 1 GLY HA2 H 1 3.916 0.070 . 2 . . . . 1 GLY HA2 . 16977 1 3 . 1 1 1 1 GLY HA3 H 1 3.978 0.070 . 2 . . . . 1 GLY HA3 . 16977 1 4 . 1 1 1 1 GLY C C 13 174.194 0.070 . 1 . . . . 1 GLY CO . 16977 1 5 . 1 1 1 1 GLY CA C 13 45.411 0.047 . 1 . . . . 1 GLY CA . 16977 1 6 . 1 1 1 1 GLY N N 15 109.937 0.004 . 1 . . . . 1 GLY N . 16977 1 7 . 1 1 2 2 LEU H H 1 8.193 0.001 . 1 . . . . 2 LEU HN . 16977 1 8 . 1 1 2 2 LEU HA H 1 4.364 0.001 . 1 . . . . 2 LEU HA . 16977 1 9 . 1 1 2 2 LEU HB2 H 1 1.621 0.004 . 2 . . . . 2 LEU HB . 16977 1 10 . 1 1 2 2 LEU HB3 H 1 1.621 0.004 . 2 . . . . 2 LEU HB . 16977 1 11 . 1 1 2 2 LEU HD11 H 1 0.905 0.070 . 2 . . . . 2 LEU HD11 . 16977 1 12 . 1 1 2 2 LEU HD12 H 1 0.905 0.070 . 2 . . . . 2 LEU HD11 . 16977 1 13 . 1 1 2 2 LEU HD13 H 1 0.905 0.070 . 2 . . . . 2 LEU HD11 . 16977 1 14 . 1 1 2 2 LEU HD21 H 1 0.864 0.070 . 2 . . . . 2 LEU HD21 . 16977 1 15 . 1 1 2 2 LEU HD22 H 1 0.864 0.070 . 2 . . . . 2 LEU HD21 . 16977 1 16 . 1 1 2 2 LEU HD23 H 1 0.864 0.070 . 2 . . . . 2 LEU HD21 . 16977 1 17 . 1 1 2 2 LEU HG H 1 1.609 0.070 . 1 . . . . 2 LEU HG . 16977 1 18 . 1 1 2 2 LEU C C 13 177.837 0.070 . 1 . . . . 2 LEU CO . 16977 1 19 . 1 1 2 2 LEU CA C 13 55.617 0.024 . 1 . . . . 2 LEU CA . 16977 1 20 . 1 1 2 2 LEU CB C 13 42.495 0.050 . 1 . . . . 2 LEU CB . 16977 1 21 . 1 1 2 2 LEU CD1 C 13 24.828 0.070 . 2 . . . . 2 LEU CD1 . 16977 1 22 . 1 1 2 2 LEU CD2 C 13 23.807 0.070 . 2 . . . . 2 LEU CD2 . 16977 1 23 . 1 1 2 2 LEU CG C 13 27.056 0.070 . 1 . . . . 2 LEU CG . 16977 1 24 . 1 1 2 2 LEU N N 15 121.878 0.015 . 1 . . . . 2 LEU N . 16977 1 25 . 1 1 3 3 THR H H 1 8.093 0.001 . 1 . . . . 3 THR HN . 16977 1 26 . 1 1 3 3 THR HA H 1 4.224 0.010 . 1 . . . . 3 THR HA . 16977 1 27 . 1 1 3 3 THR HB H 1 4.214 0.070 . 1 . . . . 3 THR HB . 16977 1 28 . 1 1 3 3 THR HG21 H 1 1.197 0.002 . 1 . . . . 3 THR HG21 . 16977 1 29 . 1 1 3 3 THR HG22 H 1 1.197 0.002 . 1 . . . . 3 THR HG21 . 16977 1 30 . 1 1 3 3 THR HG23 H 1 1.197 0.002 . 1 . . . . 3 THR HG21 . 16977 1 31 . 1 1 3 3 THR C C 13 174.563 0.070 . 1 . . . . 3 THR CO . 16977 1 32 . 1 1 3 3 THR CA C 13 62.510 0.056 . 1 . . . . 3 THR CA . 16977 1 33 . 1 1 3 3 THR CB C 13 69.725 0.082 . 1 . . . . 3 THR CB . 16977 1 34 . 1 1 3 3 THR CG2 C 13 21.755 0.011 . 1 . . . . 3 THR CG2 . 16977 1 35 . 1 1 3 3 THR N N 15 114.543 0.007 . 1 . . . . 3 THR N . 16977 1 36 . 1 1 4 4 ALA H H 1 8.270 0.001 . 1 . . . . 4 ALA HN . 16977 1 37 . 1 1 4 4 ALA HA H 1 4.260 0.001 . 1 . . . . 4 ALA HA . 16977 1 38 . 1 1 4 4 ALA HB1 H 1 1.377 0.070 . 1 . . . . 4 ALA HB1 . 16977 1 39 . 1 1 4 4 ALA HB2 H 1 1.377 0.070 . 1 . . . . 4 ALA HB1 . 16977 1 40 . 1 1 4 4 ALA HB3 H 1 1.377 0.070 . 1 . . . . 4 ALA HB1 . 16977 1 41 . 1 1 4 4 ALA C C 13 178.177 0.070 . 1 . . . . 4 ALA CO . 16977 1 42 . 1 1 4 4 ALA CA C 13 52.995 0.107 . 1 . . . . 4 ALA CA . 16977 1 43 . 1 1 4 4 ALA CB C 13 19.164 0.087 . 1 . . . . 4 ALA CB . 16977 1 44 . 1 1 4 4 ALA N N 15 125.812 0.006 . 1 . . . . 4 ALA N . 16977 1 45 . 1 1 5 5 THR H H 1 8.030 0.003 . 1 . . . . 5 THR HN . 16977 1 46 . 1 1 5 5 THR HA H 1 4.202 0.021 . 1 . . . . 5 THR HA . 16977 1 47 . 1 1 5 5 THR HB H 1 4.167 0.070 . 1 . . . . 5 THR HB . 16977 1 48 . 1 1 5 5 THR HG21 H 1 1.179 0.001 . 1 . . . . 5 THR HG21 . 16977 1 49 . 1 1 5 5 THR HG22 H 1 1.179 0.001 . 1 . . . . 5 THR HG21 . 16977 1 50 . 1 1 5 5 THR HG23 H 1 1.179 0.001 . 1 . . . . 5 THR HG21 . 16977 1 51 . 1 1 5 5 THR C C 13 174.904 0.070 . 1 . . . . 5 THR CO . 16977 1 52 . 1 1 5 5 THR CA C 13 62.645 0.024 . 1 . . . . 5 THR CA . 16977 1 53 . 1 1 5 5 THR CB C 13 69.671 0.046 . 1 . . . . 5 THR CB . 16977 1 54 . 1 1 5 5 THR CG2 C 13 21.752 0.009 . 1 . . . . 5 THR CG2 . 16977 1 55 . 1 1 5 5 THR N N 15 113.465 0.006 . 1 . . . . 5 THR N . 16977 1 56 . 1 1 6 6 LEU H H 1 8.106 0.004 . 1 . . . . 6 LEU HN . 16977 1 57 . 1 1 6 6 LEU HA H 1 4.292 0.001 . 1 . . . . 6 LEU HA . 16977 1 58 . 1 1 6 6 LEU HB2 H 1 1.628 0.070 . 2 . . . . 6 LEU HB . 16977 1 59 . 1 1 6 6 LEU HB3 H 1 1.628 0.070 . 2 . . . . 6 LEU HB . 16977 1 60 . 1 1 6 6 LEU HD11 H 1 0.874 0.024 . 2 . . . . 6 LEU HD11 . 16977 1 61 . 1 1 6 6 LEU HD12 H 1 0.874 0.024 . 2 . . . . 6 LEU HD11 . 16977 1 62 . 1 1 6 6 LEU HD13 H 1 0.874 0.024 . 2 . . . . 6 LEU HD11 . 16977 1 63 . 1 1 6 6 LEU HD21 H 1 0.874 0.024 . 2 . . . . 6 LEU HD21 . 16977 1 64 . 1 1 6 6 LEU HD22 H 1 0.874 0.024 . 2 . . . . 6 LEU HD21 . 16977 1 65 . 1 1 6 6 LEU HD23 H 1 0.874 0.024 . 2 . . . . 6 LEU HD21 . 16977 1 66 . 1 1 6 6 LEU HG H 1 1.651 0.070 . 1 . . . . 6 LEU HG . 16977 1 67 . 1 1 6 6 LEU C C 13 177.137 0.070 . 1 . . . . 6 LEU CO . 16977 1 68 . 1 1 6 6 LEU CA C 13 55.550 0.012 . 1 . . . . 6 LEU CA . 16977 1 69 . 1 1 6 6 LEU CB C 13 42.206 0.044 . 1 . . . . 6 LEU CB . 16977 1 70 . 1 1 6 6 LEU CD1 C 13 25.175 0.070 . 2 . . . . 6 LEU CD1 . 16977 1 71 . 1 1 6 6 LEU CD2 C 13 23.593 0.070 . 2 . . . . 6 LEU CD2 . 16977 1 72 . 1 1 6 6 LEU CG C 13 27.033 0.070 . 1 . . . . 6 LEU CG . 16977 1 73 . 1 1 6 6 LEU N N 15 124.140 0.045 . 1 . . . . 6 LEU N . 16977 1 74 . 1 1 7 7 ALA H H 1 8.083 0.003 . 1 . . . . 7 ALA HN . 16977 1 75 . 1 1 7 7 ALA HA H 1 4.264 0.002 . 1 . . . . 7 ALA HA . 16977 1 76 . 1 1 7 7 ALA HB1 H 1 1.377 0.070 . 1 . . . . 7 ALA HB1 . 16977 1 77 . 1 1 7 7 ALA HB2 H 1 1.377 0.070 . 1 . . . . 7 ALA HB1 . 16977 1 78 . 1 1 7 7 ALA HB3 H 1 1.377 0.070 . 1 . . . . 7 ALA HB1 . 16977 1 79 . 1 1 7 7 ALA C C 13 176.981 0.070 . 1 . . . . 7 ALA CO . 16977 1 80 . 1 1 7 7 ALA CA C 13 52.609 0.065 . 1 . . . . 7 ALA CA . 16977 1 81 . 1 1 7 7 ALA CB C 13 19.132 0.070 . 1 . . . . 7 ALA CB . 16977 1 82 . 1 1 7 7 ALA N N 15 123.640 0.041 . 1 . . . . 7 ALA N . 16977 1 83 . 1 1 8 8 ALA H H 1 7.927 0.003 . 1 . . . . 8 ALA HN . 16977 1 84 . 1 1 8 8 ALA HA H 1 4.352 0.006 . 1 . . . . 8 ALA HA . 16977 1 85 . 1 1 8 8 ALA HB1 H 1 1.373 0.006 . 1 . . . . 8 ALA HB1 . 16977 1 86 . 1 1 8 8 ALA HB2 H 1 1.373 0.006 . 1 . . . . 8 ALA HB1 . 16977 1 87 . 1 1 8 8 ALA HB3 H 1 1.373 0.006 . 1 . . . . 8 ALA HB1 . 16977 1 88 . 1 1 8 8 ALA C C 13 177.335 0.070 . 1 . . . . 8 ALA CO . 16977 1 89 . 1 1 8 8 ALA CA C 13 52.398 0.220 . 1 . . . . 8 ALA CA . 16977 1 90 . 1 1 8 8 ALA CB C 13 19.290 0.124 . 1 . . . . 8 ALA CB . 16977 1 91 . 1 1 8 8 ALA N N 15 121.792 0.040 . 1 . . . . 8 ALA N . 16977 1 92 . 1 1 9 9 LEU H H 1 7.897 0.004 . 1 . . . . 9 LEU HN . 16977 1 93 . 1 1 9 9 LEU HA H 1 4.501 0.003 . 1 . . . . 9 LEU HA . 16977 1 94 . 1 1 9 9 LEU HB2 H 1 1.646 0.007 . 2 . . . . 9 LEU HB2 . 16977 1 95 . 1 1 9 9 LEU HB3 H 1 1.120 0.004 . 2 . . . . 9 LEU HB3 . 16977 1 96 . 1 1 9 9 LEU HD11 H 1 0.820 0.008 . 2 . . . . 9 LEU HD11 . 16977 1 97 . 1 1 9 9 LEU HD12 H 1 0.820 0.008 . 2 . . . . 9 LEU HD11 . 16977 1 98 . 1 1 9 9 LEU HD13 H 1 0.820 0.008 . 2 . . . . 9 LEU HD11 . 16977 1 99 . 1 1 9 9 LEU HD21 H 1 0.686 0.002 . 2 . . . . 9 LEU HD21 . 16977 1 100 . 1 1 9 9 LEU HD22 H 1 0.686 0.002 . 2 . . . . 9 LEU HD21 . 16977 1 101 . 1 1 9 9 LEU HD23 H 1 0.686 0.002 . 2 . . . . 9 LEU HD21 . 16977 1 102 . 1 1 9 9 LEU HG H 1 1.710 0.001 . 1 . . . . 9 LEU HG . 16977 1 103 . 1 1 9 9 LEU C C 13 177.752 0.070 . 1 . . . . 9 LEU CO . 16977 1 104 . 1 1 9 9 LEU CA C 13 55.150 0.070 . 1 . . . . 9 LEU CA . 16977 1 105 . 1 1 9 9 LEU CB C 13 43.211 0.034 . 1 . . . . 9 LEU CB . 16977 1 106 . 1 1 9 9 LEU CD1 C 13 25.661 0.070 . 2 . . . . 9 LEU CD1 . 16977 1 107 . 1 1 9 9 LEU CD2 C 13 23.440 0.070 . 2 . . . . 9 LEU CD2 . 16977 1 108 . 1 1 9 9 LEU CG C 13 27.370 0.070 . 1 . . . . 9 LEU CG . 16977 1 109 . 1 1 9 9 LEU N N 15 121.476 0.039 . 1 . . . . 9 LEU N . 16977 1 110 . 1 1 10 10 THR H H 1 9.345 0.003 . 1 . . . . 10 THR HN . 16977 1 111 . 1 1 10 10 THR HA H 1 4.708 0.011 . 1 . . . . 10 THR HA . 16977 1 112 . 1 1 10 10 THR HB H 1 4.661 0.002 . 1 . . . . 10 THR HB . 16977 1 113 . 1 1 10 10 THR HG21 H 1 1.307 0.003 . 1 . . . . 10 THR HG21 . 16977 1 114 . 1 1 10 10 THR HG22 H 1 1.307 0.003 . 1 . . . . 10 THR HG21 . 16977 1 115 . 1 1 10 10 THR HG23 H 1 1.307 0.003 . 1 . . . . 10 THR HG21 . 16977 1 116 . 1 1 10 10 THR C C 13 175.647 0.070 . 1 . . . . 10 THR CO . 16977 1 117 . 1 1 10 10 THR CA C 13 60.514 0.044 . 1 . . . . 10 THR CA . 16977 1 118 . 1 1 10 10 THR CB C 13 72.400 0.066 . 1 . . . . 10 THR CB . 16977 1 119 . 1 1 10 10 THR CG2 C 13 21.660 0.061 . 1 . . . . 10 THR CG2 . 16977 1 120 . 1 1 10 10 THR N N 15 114.549 0.029 . 1 . . . . 10 THR N . 16977 1 121 . 1 1 11 11 ASP H H 1 8.921 0.004 . 1 . . . . 11 ASP HN . 16977 1 122 . 1 1 11 11 ASP HA H 1 5.129 0.014 . 1 . . . . 11 ASP HA . 16977 1 123 . 1 1 11 11 ASP HB2 H 1 2.669 0.070 . 2 . . . . 11 ASP HB2 . 16977 1 124 . 1 1 11 11 ASP HB3 H 1 2.363 0.070 . 2 . . . . 11 ASP HB3 . 16977 1 125 . 1 1 11 11 ASP C C 13 178.353 0.070 . 1 . . . . 11 ASP CO . 16977 1 126 . 1 1 11 11 ASP CA C 13 58.058 0.604 . 1 . . . . 11 ASP CA . 16977 1 127 . 1 1 11 11 ASP CB C 13 41.106 0.070 . 1 . . . . 11 ASP CB . 16977 1 128 . 1 1 11 11 ASP N N 15 120.391 0.017 . 1 . . . . 11 ASP N . 16977 1 129 . 1 1 12 12 ASP H H 1 8.245 0.002 . 1 . . . . 12 ASP HN . 16977 1 130 . 1 1 12 12 ASP HA H 1 4.436 0.005 . 1 . . . . 12 ASP HA . 16977 1 131 . 1 1 12 12 ASP HB2 H 1 2.556 0.006 . 2 . . . . 12 ASP HB2 . 16977 1 132 . 1 1 12 12 ASP C C 13 179.035 0.070 . 1 . . . . 12 ASP CO . 16977 1 133 . 1 1 12 12 ASP CA C 13 57.178 0.051 . 1 . . . . 12 ASP CA . 16977 1 134 . 1 1 12 12 ASP CB C 13 41.059 0.079 . 1 . . . . 12 ASP CB . 16977 1 135 . 1 1 12 12 ASP N N 15 117.963 0.085 . 1 . . . . 12 ASP N . 16977 1 136 . 1 1 13 13 ASP H H 1 7.780 0.002 . 1 . . . . 13 ASP HN . 16977 1 137 . 1 1 13 13 ASP HA H 1 4.288 0.002 . 1 . . . . 13 ASP HA . 16977 1 138 . 1 1 13 13 ASP HB2 H 1 2.733 0.004 . 2 . . . . 13 ASP HB2 . 16977 1 139 . 1 1 13 13 ASP HB3 H 1 2.336 0.004 . 2 . . . . 13 ASP HB3 . 16977 1 140 . 1 1 13 13 ASP C C 13 178.218 0.070 . 1 . . . . 13 ASP CO . 16977 1 141 . 1 1 13 13 ASP CA C 13 58.113 0.046 . 1 . . . . 13 ASP CA . 16977 1 142 . 1 1 13 13 ASP CB C 13 41.103 0.053 . 1 . . . . 13 ASP CB . 16977 1 143 . 1 1 13 13 ASP N N 15 121.357 0.042 . 1 . . . . 13 ASP N . 16977 1 144 . 1 1 14 14 PHE H H 1 7.859 0.003 . 1 . . . . 14 PHE HN . 16977 1 145 . 1 1 14 14 PHE HA H 1 4.147 0.005 . 1 . . . . 14 PHE HA . 16977 1 146 . 1 1 14 14 PHE HB2 H 1 2.987 0.007 . 2 . . . . 14 PHE HB2 . 16977 1 147 . 1 1 14 14 PHE HB3 H 1 2.885 0.004 . 2 . . . . 14 PHE HB3 . 16977 1 148 . 1 1 14 14 PHE HD1 H 1 7.084 0.007 . 3 . . . . 14 PHE HD1 . 16977 1 149 . 1 1 14 14 PHE HE1 H 1 7.202 0.002 . 3 . . . . 14 PHE HE1 . 16977 1 150 . 1 1 14 14 PHE C C 13 177.982 0.070 . 1 . . . . 14 PHE CO . 16977 1 151 . 1 1 14 14 PHE CA C 13 63.082 0.023 . 1 . . . . 14 PHE CA . 16977 1 152 . 1 1 14 14 PHE CB C 13 38.656 0.041 . 1 . . . . 14 PHE CB . 16977 1 153 . 1 1 14 14 PHE CD1 C 13 131.494 0.070 . 3 . . . . 14 PHE CD1 . 16977 1 154 . 1 1 14 14 PHE CE1 C 13 131.577 0.070 . 3 . . . . 14 PHE CE1 . 16977 1 155 . 1 1 14 14 PHE N N 15 118.299 0.031 . 1 . . . . 14 PHE N . 16977 1 156 . 1 1 15 15 GLN H H 1 8.411 0.003 . 1 . . . . 15 GLN HN . 16977 1 157 . 1 1 15 15 GLN HA H 1 3.970 0.004 . 1 . . . . 15 GLN HA . 16977 1 158 . 1 1 15 15 GLN HB2 H 1 2.277 0.001 . 2 . . . . 15 GLN HB2 . 16977 1 159 . 1 1 15 15 GLN HB3 H 1 2.232 0.017 . 2 . . . . 15 GLN HB3 . 16977 1 160 . 1 1 15 15 GLN HE21 H 1 7.693 0.070 . 2 . . . . 15 GLN HE21 . 16977 1 161 . 1 1 15 15 GLN HE22 H 1 6.820 0.070 . 2 . . . . 15 GLN HE22 . 16977 1 162 . 1 1 15 15 GLN HG2 H 1 2.474 0.004 . 2 . . . . 15 GLN HG2 . 16977 1 163 . 1 1 15 15 GLN HG3 H 1 2.412 0.070 . 2 . . . . 15 GLN HG3 . 16977 1 164 . 1 1 15 15 GLN C C 13 177.494 0.070 . 1 . . . . 15 GLN CO . 16977 1 165 . 1 1 15 15 GLN CA C 13 58.632 0.008 . 1 . . . . 15 GLN CA . 16977 1 166 . 1 1 15 15 GLN CB C 13 28.251 0.054 . 1 . . . . 15 GLN CB . 16977 1 167 . 1 1 15 15 GLN CG C 13 33.888 0.070 . 1 . . . . 15 GLN CG . 16977 1 168 . 1 1 15 15 GLN N N 15 120.245 0.031 . 1 . . . . 15 GLN N . 16977 1 169 . 1 1 15 15 GLN NE2 N 15 115.016 0.003 . 1 . . . . 15 GLN NE2 . 16977 1 170 . 1 1 16 16 PHE H H 1 7.750 0.005 . 1 . . . . 16 PHE HN . 16977 1 171 . 1 1 16 16 PHE HA H 1 4.294 0.005 . 1 . . . . 16 PHE HA . 16977 1 172 . 1 1 16 16 PHE HB2 H 1 3.134 0.006 . 2 . . . . 16 PHE HB2 . 16977 1 173 . 1 1 16 16 PHE HD1 H 1 7.112 0.006 . 3 . . . . 16 PHE HD1 . 16977 1 174 . 1 1 16 16 PHE HE1 H 1 7.056 0.006 . 3 . . . . 16 PHE HE1 . 16977 1 175 . 1 1 16 16 PHE HZ H 1 7.245 0.006 . 1 . . . . 16 PHE HZ . 16977 1 176 . 1 1 16 16 PHE C C 13 176.983 0.070 . 1 . . . . 16 PHE CO . 16977 1 177 . 1 1 16 16 PHE CA C 13 62.049 0.022 . 1 . . . . 16 PHE CA . 16977 1 178 . 1 1 16 16 PHE CB C 13 38.766 0.032 . 1 . . . . 16 PHE CB . 16977 1 179 . 1 1 16 16 PHE CD1 C 13 131.800 0.070 . 3 . . . . 16 PHE CD1 . 16977 1 180 . 1 1 16 16 PHE CE1 C 13 131.700 0.070 . 3 . . . . 16 PHE CE1 . 16977 1 181 . 1 1 16 16 PHE CZ C 13 129.701 0.070 . 1 . . . . 16 PHE CZ . 16977 1 182 . 1 1 16 16 PHE N N 15 120.039 0.030 . 1 . . . . 16 PHE N . 16977 1 183 . 1 1 17 17 LEU H H 1 8.112 0.004 . 1 . . . . 17 LEU HN . 16977 1 184 . 1 1 17 17 LEU HA H 1 3.737 0.005 . 1 . . . . 17 LEU HA . 16977 1 185 . 1 1 17 17 LEU HB2 H 1 1.976 0.005 . 2 . . . . 17 LEU HB2 . 16977 1 186 . 1 1 17 17 LEU HB3 H 1 1.214 0.005 . 2 . . . . 17 LEU HB3 . 16977 1 187 . 1 1 17 17 LEU HD11 H 1 0.835 0.001 . 2 . . . . 17 LEU HD11 . 16977 1 188 . 1 1 17 17 LEU HD12 H 1 0.835 0.001 . 2 . . . . 17 LEU HD11 . 16977 1 189 . 1 1 17 17 LEU HD13 H 1 0.835 0.001 . 2 . . . . 17 LEU HD11 . 16977 1 190 . 1 1 17 17 LEU HD21 H 1 0.768 0.002 . 2 . . . . 17 LEU HD21 . 16977 1 191 . 1 1 17 17 LEU HD22 H 1 0.768 0.002 . 2 . . . . 17 LEU HD21 . 16977 1 192 . 1 1 17 17 LEU HD23 H 1 0.768 0.002 . 2 . . . . 17 LEU HD21 . 16977 1 193 . 1 1 17 17 LEU HG H 1 1.943 0.006 . 1 . . . . 17 LEU HG . 16977 1 194 . 1 1 17 17 LEU C C 13 178.193 0.070 . 1 . . . . 17 LEU CO . 16977 1 195 . 1 1 17 17 LEU CA C 13 58.236 0.003 . 1 . . . . 17 LEU CA . 16977 1 196 . 1 1 17 17 LEU CB C 13 41.445 0.048 . 1 . . . . 17 LEU CB . 16977 1 197 . 1 1 17 17 LEU CD1 C 13 23.557 0.070 . 2 . . . . 17 LEU CD1 . 16977 1 198 . 1 1 17 17 LEU CD2 C 13 25.726 0.070 . 2 . . . . 17 LEU CD2 . 16977 1 199 . 1 1 17 17 LEU CG C 13 26.991 0.043 . 1 . . . . 17 LEU CG . 16977 1 200 . 1 1 17 17 LEU N N 15 117.672 0.033 . 1 . . . . 17 LEU N . 16977 1 201 . 1 1 18 18 SER H H 1 7.938 0.002 . 1 . . . . 18 SER HN . 16977 1 202 . 1 1 18 18 SER HA H 1 3.842 0.006 . 1 . . . . 18 SER HA . 16977 1 203 . 1 1 18 18 SER HB2 H 1 4.255 0.002 . 2 . . . . 18 SER HB2 . 16977 1 204 . 1 1 18 18 SER HB3 H 1 3.752 0.005 . 2 . . . . 18 SER HB3 . 16977 1 205 . 1 1 18 18 SER C C 13 176.454 0.070 . 1 . . . . 18 SER CO . 16977 1 206 . 1 1 18 18 SER CA C 13 61.931 0.070 . 1 . . . . 18 SER CA . 16977 1 207 . 1 1 18 18 SER CB C 13 62.841 0.087 . 1 . . . . 18 SER CB . 16977 1 208 . 1 1 18 18 SER N N 15 112.181 0.030 . 1 . . . . 18 SER N . 16977 1 209 . 1 1 19 19 ASP H H 1 7.860 0.004 . 1 . . . . 19 ASP HN . 16977 1 210 . 1 1 19 19 ASP HA H 1 4.210 0.005 . 1 . . . . 19 ASP HA . 16977 1 211 . 1 1 19 19 ASP HB2 H 1 2.708 0.005 . 2 . . . . 19 ASP HB2 . 16977 1 212 . 1 1 19 19 ASP HB3 H 1 2.380 0.004 . 2 . . . . 19 ASP HB3 . 16977 1 213 . 1 1 19 19 ASP C C 13 180.276 0.070 . 1 . . . . 19 ASP CO . 16977 1 214 . 1 1 19 19 ASP CA C 13 57.341 0.007 . 1 . . . . 19 ASP CA . 16977 1 215 . 1 1 19 19 ASP CB C 13 39.542 0.050 . 1 . . . . 19 ASP CB . 16977 1 216 . 1 1 19 19 ASP N N 15 119.794 0.016 . 1 . . . . 19 ASP N . 16977 1 217 . 1 1 20 20 VAL H H 1 8.604 0.003 . 1 . . . . 20 VAL HN . 16977 1 218 . 1 1 20 20 VAL HA H 1 3.352 0.005 . 1 . . . . 20 VAL HA . 16977 1 219 . 1 1 20 20 VAL HB H 1 2.251 0.004 . 1 . . . . 20 VAL HB . 16977 1 220 . 1 1 20 20 VAL HG11 H 1 0.838 0.007 . 2 . . . . 20 VAL HG11 . 16977 1 221 . 1 1 20 20 VAL HG12 H 1 0.838 0.007 . 2 . . . . 20 VAL HG11 . 16977 1 222 . 1 1 20 20 VAL HG13 H 1 0.838 0.007 . 2 . . . . 20 VAL HG11 . 16977 1 223 . 1 1 20 20 VAL HG21 H 1 0.414 0.005 . 2 . . . . 20 VAL HG21 . 16977 1 224 . 1 1 20 20 VAL HG22 H 1 0.414 0.005 . 2 . . . . 20 VAL HG21 . 16977 1 225 . 1 1 20 20 VAL HG23 H 1 0.414 0.005 . 2 . . . . 20 VAL HG21 . 16977 1 226 . 1 1 20 20 VAL C C 13 178.478 0.070 . 1 . . . . 20 VAL CO . 16977 1 227 . 1 1 20 20 VAL CA C 13 67.215 0.003 . 1 . . . . 20 VAL CA . 16977 1 228 . 1 1 20 20 VAL CB C 13 31.477 0.050 . 1 . . . . 20 VAL CB . 16977 1 229 . 1 1 20 20 VAL CG1 C 13 21.470 0.070 . 2 . . . . 20 VAL CG1 . 16977 1 230 . 1 1 20 20 VAL CG2 C 13 24.405 0.053 . 2 . . . . 20 VAL CG2 . 16977 1 231 . 1 1 20 20 VAL N N 15 124.697 0.040 . 1 . . . . 20 VAL N . 16977 1 232 . 1 1 21 21 LEU H H 1 7.748 0.002 . 1 . . . . 21 LEU HN . 16977 1 233 . 1 1 21 21 LEU HA H 1 4.011 0.003 . 1 . . . . 21 LEU HA . 16977 1 234 . 1 1 21 21 LEU HB2 H 1 1.927 0.005 . 2 . . . . 21 LEU HB2 . 16977 1 235 . 1 1 21 21 LEU HB3 H 1 1.396 0.003 . 2 . . . . 21 LEU HB3 . 16977 1 236 . 1 1 21 21 LEU HD11 H 1 0.820 0.005 . 2 . . . . 21 LEU HD11 . 16977 1 237 . 1 1 21 21 LEU HD12 H 1 0.820 0.005 . 2 . . . . 21 LEU HD11 . 16977 1 238 . 1 1 21 21 LEU HD13 H 1 0.820 0.005 . 2 . . . . 21 LEU HD11 . 16977 1 239 . 1 1 21 21 LEU HD21 H 1 0.526 0.005 . 2 . . . . 21 LEU HD21 . 16977 1 240 . 1 1 21 21 LEU HD22 H 1 0.526 0.005 . 2 . . . . 21 LEU HD21 . 16977 1 241 . 1 1 21 21 LEU HD23 H 1 0.526 0.005 . 2 . . . . 21 LEU HD21 . 16977 1 242 . 1 1 21 21 LEU HG H 1 1.672 0.005 . 1 . . . . 21 LEU HG . 16977 1 243 . 1 1 21 21 LEU C C 13 176.627 0.070 . 1 . . . . 21 LEU CO . 16977 1 244 . 1 1 21 21 LEU CA C 13 56.731 0.031 . 1 . . . . 21 LEU CA . 16977 1 245 . 1 1 21 21 LEU CB C 13 41.639 0.029 . 1 . . . . 21 LEU CB . 16977 1 246 . 1 1 21 21 LEU CD1 C 13 26.870 0.070 . 2 . . . . 21 LEU CD1 . 16977 1 247 . 1 1 21 21 LEU CD2 C 13 23.640 0.070 . 2 . . . . 21 LEU CD2 . 16977 1 248 . 1 1 21 21 LEU CG C 13 27.320 0.083 . 1 . . . . 21 LEU CG . 16977 1 249 . 1 1 21 21 LEU N N 15 117.961 0.018 . 1 . . . . 21 LEU N . 16977 1 250 . 1 1 22 22 ASP H H 1 7.306 0.002 . 1 . . . . 22 ASP HN . 16977 1 251 . 1 1 22 22 ASP HA H 1 4.839 0.004 . 1 . . . . 22 ASP HA . 16977 1 252 . 1 1 22 22 ASP HB2 H 1 2.883 0.005 . 2 . . . . 22 ASP HB2 . 16977 1 253 . 1 1 22 22 ASP HB3 H 1 2.699 0.008 . 2 . . . . 22 ASP HB3 . 16977 1 254 . 1 1 22 22 ASP C C 13 177.833 0.070 . 1 . . . . 22 ASP CO . 16977 1 255 . 1 1 22 22 ASP CA C 13 54.619 0.070 . 1 . . . . 22 ASP CA . 16977 1 256 . 1 1 22 22 ASP CB C 13 41.792 0.080 . 1 . . . . 22 ASP CB . 16977 1 257 . 1 1 22 22 ASP N N 15 117.575 0.031 . 1 . . . . 22 ASP N . 16977 1 258 . 1 1 23 23 CYS H H 1 7.731 0.004 . 1 . . . . 23 CYS HN . 16977 1 259 . 1 1 23 23 CYS HA H 1 4.187 0.005 . 1 . . . . 23 CYS HA . 16977 1 260 . 1 1 23 23 CYS HB2 H 1 3.397 0.005 . 2 . . . . 23 CYS HB2 . 16977 1 261 . 1 1 23 23 CYS HB3 H 1 2.664 0.005 . 2 . . . . 23 CYS HB3 . 16977 1 262 . 1 1 23 23 CYS C C 13 174.562 0.070 . 1 . . . . 23 CYS CO . 16977 1 263 . 1 1 23 23 CYS CA C 13 62.567 0.001 . 1 . . . . 23 CYS CA . 16977 1 264 . 1 1 23 23 CYS CB C 13 28.717 0.040 . 1 . . . . 23 CYS CB . 16977 1 265 . 1 1 23 23 CYS N N 15 119.880 0.068 . 1 . . . . 23 CYS N . 16977 1 266 . 1 1 24 24 ARG H H 1 8.593 0.003 . 1 . . . . 24 ARG HN . 16977 1 267 . 1 1 24 24 ARG HA H 1 4.186 0.006 . 1 . . . . 24 ARG HA . 16977 1 268 . 1 1 24 24 ARG HB2 H 1 1.979 0.003 . 2 . . . . 24 ARG HB2 . 16977 1 269 . 1 1 24 24 ARG HB3 H 1 1.725 0.009 . 2 . . . . 24 ARG HB3 . 16977 1 270 . 1 1 24 24 ARG HD2 H 1 3.272 0.002 . 2 . . . . 24 ARG HD2 . 16977 1 271 . 1 1 24 24 ARG HD3 H 1 3.154 0.003 . 2 . . . . 24 ARG HD3 . 16977 1 272 . 1 1 24 24 ARG HG2 H 1 1.816 0.006 . 2 . . . . 24 ARG HG2 . 16977 1 273 . 1 1 24 24 ARG C C 13 174.916 0.070 . 1 . . . . 24 ARG CO . 16977 1 274 . 1 1 24 24 ARG CA C 13 56.551 0.070 . 1 . . . . 24 ARG CA . 16977 1 275 . 1 1 24 24 ARG CB C 13 32.178 0.072 . 1 . . . . 24 ARG CB . 16977 1 276 . 1 1 24 24 ARG CD C 13 42.880 0.080 . 1 . . . . 24 ARG CD . 16977 1 277 . 1 1 24 24 ARG CG C 13 27.550 0.080 . 1 . . . . 24 ARG CG . 16977 1 278 . 1 1 24 24 ARG N N 15 121.272 0.034 . 1 . . . . 24 ARG N . 16977 1 279 . 1 1 25 25 ALA H H 1 7.302 0.003 . 1 . . . . 25 ALA HN . 16977 1 280 . 1 1 25 25 ALA HA H 1 4.674 0.005 . 1 . . . . 25 ALA HA . 16977 1 281 . 1 1 25 25 ALA HB1 H 1 1.368 0.002 . 1 . . . . 25 ALA HB1 . 16977 1 282 . 1 1 25 25 ALA HB2 H 1 1.368 0.002 . 1 . . . . 25 ALA HB1 . 16977 1 283 . 1 1 25 25 ALA HB3 H 1 1.368 0.002 . 1 . . . . 25 ALA HB1 . 16977 1 284 . 1 1 25 25 ALA C C 13 174.397 0.070 . 1 . . . . 25 ALA CO . 16977 1 285 . 1 1 25 25 ALA CA C 13 51.121 0.002 . 1 . . . . 25 ALA CA . 16977 1 286 . 1 1 25 25 ALA CB C 13 22.799 0.071 . 1 . . . . 25 ALA CB . 16977 1 287 . 1 1 25 25 ALA N N 15 113.961 0.033 . 1 . . . . 25 ALA N . 16977 1 288 . 1 1 26 26 VAL H H 1 8.443 0.009 . 1 . . . . 26 VAL HN . 16977 1 289 . 1 1 26 26 VAL HA H 1 4.921 0.006 . 1 . . . . 26 VAL HA . 16977 1 290 . 1 1 26 26 VAL HB H 1 1.600 0.004 . 1 . . . . 26 VAL HB . 16977 1 291 . 1 1 26 26 VAL HG11 H 1 0.679 0.003 . 2 . . . . 26 VAL HG11 . 16977 1 292 . 1 1 26 26 VAL HG12 H 1 0.679 0.003 . 2 . . . . 26 VAL HG11 . 16977 1 293 . 1 1 26 26 VAL HG13 H 1 0.679 0.003 . 2 . . . . 26 VAL HG11 . 16977 1 294 . 1 1 26 26 VAL HG21 H 1 0.435 0.005 . 2 . . . . 26 VAL HG21 . 16977 1 295 . 1 1 26 26 VAL HG22 H 1 0.435 0.005 . 2 . . . . 26 VAL HG21 . 16977 1 296 . 1 1 26 26 VAL HG23 H 1 0.435 0.005 . 2 . . . . 26 VAL HG21 . 16977 1 297 . 1 1 26 26 VAL C C 13 175.877 0.070 . 1 . . . . 26 VAL CO . 16977 1 298 . 1 1 26 26 VAL CA C 13 60.330 0.070 . 1 . . . . 26 VAL CA . 16977 1 299 . 1 1 26 26 VAL CB C 13 34.278 0.057 . 1 . . . . 26 VAL CB . 16977 1 300 . 1 1 26 26 VAL CG1 C 13 21.900 0.040 . 2 . . . . 26 VAL CG1 . 16977 1 301 . 1 1 26 26 VAL CG2 C 13 21.287 0.044 . 2 . . . . 26 VAL CG2 . 16977 1 302 . 1 1 26 26 VAL N N 15 120.141 0.057 . 1 . . . . 26 VAL N . 16977 1 303 . 1 1 27 27 ARG H H 1 9.033 0.003 . 1 . . . . 27 ARG HN . 16977 1 304 . 1 1 27 27 ARG HA H 1 4.767 0.012 . 1 . . . . 27 ARG HA . 16977 1 305 . 1 1 27 27 ARG HB2 H 1 1.980 0.009 . 2 . . . . 27 ARG HB2 . 16977 1 306 . 1 1 27 27 ARG HB3 H 1 1.402 0.005 . 2 . . . . 27 ARG HB3 . 16977 1 307 . 1 1 27 27 ARG HD2 H 1 3.141 0.004 . 2 . . . . 27 ARG HD2 . 16977 1 308 . 1 1 27 27 ARG HD3 H 1 3.616 0.004 . 2 . . . . 27 ARG HD3 . 16977 1 309 . 1 1 27 27 ARG HG2 H 1 1.759 0.005 . 2 . . . . 27 ARG HG2 . 16977 1 310 . 1 1 27 27 ARG HG3 H 1 1.258 0.002 . 2 . . . . 27 ARG HG3 . 16977 1 311 . 1 1 27 27 ARG C C 13 174.210 0.070 . 1 . . . . 27 ARG CO . 16977 1 312 . 1 1 27 27 ARG CA C 13 52.251 0.002 . 1 . . . . 27 ARG CA . 16977 1 313 . 1 1 27 27 ARG CB C 13 37.231 0.046 . 1 . . . . 27 ARG CB . 16977 1 314 . 1 1 27 27 ARG CD C 13 44.281 0.080 . 1 . . . . 27 ARG CD . 16977 1 315 . 1 1 27 27 ARG CG C 13 26.903 0.080 . 1 . . . . 27 ARG CG . 16977 1 316 . 1 1 27 27 ARG N N 15 125.410 0.015 . 1 . . . . 27 ARG N . 16977 1 317 . 1 1 28 28 SER H H 1 8.941 0.003 . 1 . . . . 28 SER HN . 16977 1 318 . 1 1 28 28 SER HA H 1 5.002 0.005 . 1 . . . . 28 SER HA . 16977 1 319 . 1 1 28 28 SER HB2 H 1 3.794 0.004 . 2 . . . . 28 SER HB2 . 16977 1 320 . 1 1 28 28 SER HB3 H 1 3.565 0.003 . 2 . . . . 28 SER HB3 . 16977 1 321 . 1 1 28 28 SER CA C 13 56.031 0.070 . 1 . . . . 28 SER CA . 16977 1 322 . 1 1 28 28 SER CB C 13 64.124 0.065 . 1 . . . . 28 SER CB . 16977 1 323 . 1 1 28 28 SER N N 15 114.430 0.040 . 1 . . . . 28 SER N . 16977 1 324 . 1 1 29 29 ALA HA H 1 3.794 0.001 . 1 . . . . 29 ALA HA . 16977 1 325 . 1 1 29 29 ALA HB1 H 1 1.458 0.001 . 1 . . . . 29 ALA HB1 . 16977 1 326 . 1 1 29 29 ALA HB2 H 1 1.458 0.001 . 1 . . . . 29 ALA HB1 . 16977 1 327 . 1 1 29 29 ALA HB3 H 1 1.458 0.001 . 1 . . . . 29 ALA HB1 . 16977 1 328 . 1 1 29 29 ALA C C 13 178.509 0.070 . 1 . . . . 29 ALA CO . 16977 1 329 . 1 1 29 29 ALA CA C 13 54.666 0.070 . 1 . . . . 29 ALA CA . 16977 1 330 . 1 1 29 29 ALA CB C 13 18.754 0.038 . 1 . . . . 29 ALA CB . 16977 1 331 . 1 1 30 30 MET H H 1 8.210 0.004 . 1 . . . . 30 MET HN . 16977 1 332 . 1 1 30 30 MET HA H 1 4.193 0.003 . 1 . . . . 30 MET HA . 16977 1 333 . 1 1 30 30 MET HB2 H 1 2.049 0.004 . 2 . . . . 30 MET HB2 . 16977 1 334 . 1 1 30 30 MET HB3 H 1 2.008 0.003 . 2 . . . . 30 MET HB3 . 16977 1 335 . 1 1 30 30 MET HE1 H 1 2.112 0.003 . 1 . . . . 30 MET HE . 16977 1 336 . 1 1 30 30 MET HE2 H 1 2.112 0.003 . 1 . . . . 30 MET HE . 16977 1 337 . 1 1 30 30 MET HE3 H 1 2.112 0.003 . 1 . . . . 30 MET HE . 16977 1 338 . 1 1 30 30 MET HG2 H 1 2.643 0.004 . 2 . . . . 30 MET HG2 . 16977 1 339 . 1 1 30 30 MET HG3 H 1 2.543 0.003 . 2 . . . . 30 MET HG3 . 16977 1 340 . 1 1 30 30 MET C C 13 177.609 0.070 . 1 . . . . 30 MET CO . 16977 1 341 . 1 1 30 30 MET CA C 13 57.189 0.033 . 1 . . . . 30 MET CA . 16977 1 342 . 1 1 30 30 MET CB C 13 32.564 0.070 . 1 . . . . 30 MET CB . 16977 1 343 . 1 1 30 30 MET CE C 13 17.011 0.050 . 1 . . . . 30 MET CE . 16977 1 344 . 1 1 30 30 MET CG C 13 32.352 0.050 . 1 . . . . 30 MET CG . 16977 1 345 . 1 1 30 30 MET N N 15 115.368 0.070 . 1 . . . . 30 MET N . 16977 1 346 . 1 1 31 31 ASN H H 1 7.448 0.004 . 1 . . . . 31 ASN HN . 16977 1 347 . 1 1 31 31 ASN HA H 1 4.609 0.004 . 1 . . . . 31 ASN HA . 16977 1 348 . 1 1 31 31 ASN HB2 H 1 2.945 0.003 . 2 . . . . 31 ASN HB2 . 16977 1 349 . 1 1 31 31 ASN HD21 H 1 7.636 0.004 . 2 . . . . 31 ASN HD21 . 16977 1 350 . 1 1 31 31 ASN HD22 H 1 6.853 0.001 . 2 . . . . 31 ASN HD22 . 16977 1 351 . 1 1 31 31 ASN C C 13 175.432 0.070 . 1 . . . . 31 ASN CO . 16977 1 352 . 1 1 31 31 ASN CA C 13 53.491 0.008 . 1 . . . . 31 ASN CA . 16977 1 353 . 1 1 31 31 ASN CB C 13 37.653 0.084 . 1 . . . . 31 ASN CB . 16977 1 354 . 1 1 31 31 ASN N N 15 113.117 0.072 . 1 . . . . 31 ASN N . 16977 1 355 . 1 1 31 31 ASN ND2 N 15 111.142 0.005 . 1 . . . . 31 ASN ND2 . 16977 1 356 . 1 1 32 32 LEU H H 1 9.231 0.005 . 1 . . . . 32 LEU HN . 16977 1 357 . 1 1 32 32 LEU HA H 1 4.092 0.006 . 1 . . . . 32 LEU HA . 16977 1 358 . 1 1 32 32 LEU HB2 H 1 1.991 0.003 . 2 . . . . 32 LEU HB2 . 16977 1 359 . 1 1 32 32 LEU HB3 H 1 1.612 0.001 . 2 . . . . 32 LEU HB3 . 16977 1 360 . 1 1 32 32 LEU HD11 H 1 0.953 0.003 . 2 . . . . 32 LEU HD11 . 16977 1 361 . 1 1 32 32 LEU HD12 H 1 0.953 0.003 . 2 . . . . 32 LEU HD11 . 16977 1 362 . 1 1 32 32 LEU HD13 H 1 0.953 0.003 . 2 . . . . 32 LEU HD11 . 16977 1 363 . 1 1 32 32 LEU HD21 H 1 0.780 0.002 . 2 . . . . 32 LEU HD21 . 16977 1 364 . 1 1 32 32 LEU HD22 H 1 0.780 0.002 . 2 . . . . 32 LEU HD21 . 16977 1 365 . 1 1 32 32 LEU HD23 H 1 0.780 0.002 . 2 . . . . 32 LEU HD21 . 16977 1 366 . 1 1 32 32 LEU HG H 1 1.884 0.010 . 1 . . . . 32 LEU HG . 16977 1 367 . 1 1 32 32 LEU C C 13 176.598 0.070 . 1 . . . . 32 LEU CO . 16977 1 368 . 1 1 32 32 LEU CA C 13 57.309 0.070 . 1 . . . . 32 LEU CA . 16977 1 369 . 1 1 32 32 LEU CB C 13 42.535 0.083 . 1 . . . . 32 LEU CB . 16977 1 370 . 1 1 32 32 LEU CD1 C 13 26.548 0.004 . 2 . . . . 32 LEU CD1 . 16977 1 371 . 1 1 32 32 LEU CD2 C 13 24.512 0.051 . 2 . . . . 32 LEU CD2 . 16977 1 372 . 1 1 32 32 LEU CG C 13 27.266 0.070 . 1 . . . . 32 LEU CG . 16977 1 373 . 1 1 32 32 LEU N N 15 126.804 0.050 . 1 . . . . 32 LEU N . 16977 1 374 . 1 1 33 33 ARG H H 1 7.788 0.003 . 1 . . . . 33 ARG HN . 16977 1 375 . 1 1 33 33 ARG HA H 1 4.255 0.003 . 1 . . . . 33 ARG HA . 16977 1 376 . 1 1 33 33 ARG HB2 H 1 1.929 0.004 . 2 . . . . 33 ARG HB2 . 16977 1 377 . 1 1 33 33 ARG HB3 H 1 1.768 0.001 . 2 . . . . 33 ARG HB3 . 16977 1 378 . 1 1 33 33 ARG HD2 H 1 3.165 0.006 . 2 . . . . 33 ARG HD2 . 16977 1 379 . 1 1 33 33 ARG HD3 H 1 3.134 0.040 . 2 . . . . 33 ARG HD3 . 16977 1 380 . 1 1 33 33 ARG HG2 H 1 1.820 0.040 . 2 . . . . 33 ARG HG2 . 16977 1 381 . 1 1 33 33 ARG C C 13 176.625 0.070 . 1 . . . . 33 ARG CO . 16977 1 382 . 1 1 33 33 ARG CA C 13 56.497 0.043 . 1 . . . . 33 ARG CA . 16977 1 383 . 1 1 33 33 ARG CB C 13 30.493 0.058 . 1 . . . . 33 ARG CB . 16977 1 384 . 1 1 33 33 ARG CD C 13 43.409 0.070 . 1 . . . . 33 ARG CD . 16977 1 385 . 1 1 33 33 ARG CG C 13 27.786 0.070 . 1 . . . . 33 ARG CG . 16977 1 386 . 1 1 33 33 ARG N N 15 112.907 0.016 . 1 . . . . 33 ARG N . 16977 1 387 . 1 1 34 34 ALA H H 1 7.100 0.001 . 1 . . . . 34 ALA HN . 16977 1 388 . 1 1 34 34 ALA HA H 1 4.470 0.002 . 1 . . . . 34 ALA HA . 16977 1 389 . 1 1 34 34 ALA HB1 H 1 1.306 0.002 . 1 . . . . 34 ALA HB1 . 16977 1 390 . 1 1 34 34 ALA HB2 H 1 1.306 0.002 . 1 . . . . 34 ALA HB1 . 16977 1 391 . 1 1 34 34 ALA HB3 H 1 1.306 0.002 . 1 . . . . 34 ALA HB1 . 16977 1 392 . 1 1 34 34 ALA C C 13 175.425 0.070 . 1 . . . . 34 ALA CO . 16977 1 393 . 1 1 34 34 ALA CA C 13 51.130 0.070 . 1 . . . . 34 ALA CA . 16977 1 394 . 1 1 34 34 ALA CB C 13 21.258 0.075 . 1 . . . . 34 ALA CB . 16977 1 395 . 1 1 34 34 ALA N N 15 122.648 0.020 . 1 . . . . 34 ALA N . 16977 1 396 . 1 1 35 35 ALA H H 1 8.229 0.003 . 1 . . . . 35 ALA HN . 16977 1 397 . 1 1 35 35 ALA HA H 1 4.302 0.003 . 1 . . . . 35 ALA HA . 16977 1 398 . 1 1 35 35 ALA HB1 H 1 1.365 0.010 . 1 . . . . 35 ALA HB1 . 16977 1 399 . 1 1 35 35 ALA HB2 H 1 1.365 0.010 . 1 . . . . 35 ALA HB1 . 16977 1 400 . 1 1 35 35 ALA HB3 H 1 1.365 0.010 . 1 . . . . 35 ALA HB1 . 16977 1 401 . 1 1 35 35 ALA C C 13 178.710 0.070 . 1 . . . . 35 ALA CO . 16977 1 402 . 1 1 35 35 ALA CA C 13 52.033 0.009 . 1 . . . . 35 ALA CA . 16977 1 403 . 1 1 35 35 ALA CB C 13 18.969 0.081 . 1 . . . . 35 ALA CB . 16977 1 404 . 1 1 35 35 ALA N N 15 123.218 0.015 . 1 . . . . 35 ALA N . 16977 1 405 . 1 1 36 36 LEU H H 1 9.047 0.004 . 1 . . . . 36 LEU HN . 16977 1 406 . 1 1 36 36 LEU HA H 1 4.335 0.004 . 1 . . . . 36 LEU HA . 16977 1 407 . 1 1 36 36 LEU HB2 H 1 1.669 0.006 . 2 . . . . 36 LEU HB2 . 16977 1 408 . 1 1 36 36 LEU HB3 H 1 1.581 0.006 . 2 . . . . 36 LEU HB3 . 16977 1 409 . 1 1 36 36 LEU HD11 H 1 0.757 0.004 . 2 . . . . 36 LEU HD11 . 16977 1 410 . 1 1 36 36 LEU HD12 H 1 0.757 0.004 . 2 . . . . 36 LEU HD11 . 16977 1 411 . 1 1 36 36 LEU HD13 H 1 0.757 0.004 . 2 . . . . 36 LEU HD11 . 16977 1 412 . 1 1 36 36 LEU HD21 H 1 0.668 0.001 . 2 . . . . 36 LEU HD21 . 16977 1 413 . 1 1 36 36 LEU HD22 H 1 0.668 0.001 . 2 . . . . 36 LEU HD21 . 16977 1 414 . 1 1 36 36 LEU HD23 H 1 0.668 0.001 . 2 . . . . 36 LEU HD21 . 16977 1 415 . 1 1 36 36 LEU HG H 1 1.751 0.073 . 1 . . . . 36 LEU HG . 16977 1 416 . 1 1 36 36 LEU C C 13 178.347 0.070 . 1 . . . . 36 LEU CO . 16977 1 417 . 1 1 36 36 LEU CA C 13 55.114 0.025 . 1 . . . . 36 LEU CA . 16977 1 418 . 1 1 36 36 LEU CB C 13 42.394 0.093 . 1 . . . . 36 LEU CB . 16977 1 419 . 1 1 36 36 LEU CD1 C 13 23.143 0.070 . 2 . . . . 36 LEU CD1 . 16977 1 420 . 1 1 36 36 LEU CD2 C 13 25.900 0.070 . 2 . . . . 36 LEU CD2 . 16977 1 421 . 1 1 36 36 LEU CG C 13 27.704 0.070 . 1 . . . . 36 LEU CG . 16977 1 422 . 1 1 36 36 LEU N N 15 122.064 0.024 . 1 . . . . 36 LEU N . 16977 1 423 . 1 1 37 37 THR H H 1 8.765 0.003 . 1 . . . . 37 THR HN . 16977 1 424 . 1 1 37 37 THR HA H 1 4.410 0.038 . 1 . . . . 37 THR HA . 16977 1 425 . 1 1 37 37 THR HB H 1 4.811 0.006 . 1 . . . . 37 THR HB . 16977 1 426 . 1 1 37 37 THR HG21 H 1 1.433 0.002 . 1 . . . . 37 THR HG21 . 16977 1 427 . 1 1 37 37 THR HG22 H 1 1.433 0.002 . 1 . . . . 37 THR HG21 . 16977 1 428 . 1 1 37 37 THR HG23 H 1 1.433 0.002 . 1 . . . . 37 THR HG21 . 16977 1 429 . 1 1 37 37 THR CA C 13 61.105 0.070 . 1 . . . . 37 THR CA . 16977 1 430 . 1 1 37 37 THR CB C 13 71.406 0.024 . 1 . . . . 37 THR CB . 16977 1 431 . 1 1 37 37 THR CG2 C 13 21.856 0.070 . 1 . . . . 37 THR CG2 . 16977 1 432 . 1 1 37 37 THR N N 15 111.739 0.034 . 1 . . . . 37 THR N . 16977 1 433 . 1 1 38 38 SER H H 1 7.765 0.002 . 1 . . . . 38 SER HN . 16977 1 434 . 1 1 39 39 PHE H H 1 7.229 0.002 . 1 . . . . 39 PHE HN . 16977 1 435 . 1 1 39 39 PHE HA H 1 4.377 0.007 . 1 . . . . 39 PHE HA . 16977 1 436 . 1 1 39 39 PHE HB2 H 1 3.233 0.004 . 2 . . . . 39 PHE HB2 . 16977 1 437 . 1 1 39 39 PHE HB3 H 1 3.011 0.006 . 2 . . . . 39 PHE HB3 . 16977 1 438 . 1 1 39 39 PHE HD1 H 1 7.226 0.070 . 3 . . . . 39 PHE HD1 . 16977 1 439 . 1 1 39 39 PHE HE1 H 1 7.364 0.002 . 3 . . . . 39 PHE HE1 . 16977 1 440 . 1 1 39 39 PHE C C 13 177.671 0.070 . 1 . . . . 39 PHE CO . 16977 1 441 . 1 1 39 39 PHE CA C 13 60.903 0.019 . 1 . . . . 39 PHE CA . 16977 1 442 . 1 1 39 39 PHE CB C 13 39.322 0.099 . 1 . . . . 39 PHE CB . 16977 1 443 . 1 1 39 39 PHE CD1 C 13 131.772 0.070 . 3 . . . . 39 PHE CD1 . 16977 1 444 . 1 1 39 39 PHE CE1 C 13 131.845 0.070 . 3 . . . . 39 PHE CE1 . 16977 1 445 . 1 1 40 40 GLN H H 1 7.769 0.005 . 1 . . . . 40 GLN HN . 16977 1 446 . 1 1 40 40 GLN HA H 1 3.975 0.007 . 1 . . . . 40 GLN HA . 16977 1 447 . 1 1 40 40 GLN HB2 H 1 2.528 0.004 . 2 . . . . 40 GLN HB2 . 16977 1 448 . 1 1 40 40 GLN HB3 H 1 1.907 0.004 . 2 . . . . 40 GLN HB3 . 16977 1 449 . 1 1 40 40 GLN HE21 H 1 7.741 0.070 . 2 . . . . 40 GLN HE21 . 16977 1 450 . 1 1 40 40 GLN HE22 H 1 6.946 0.002 . 2 . . . . 40 GLN HE22 . 16977 1 451 . 1 1 40 40 GLN HG2 H 1 2.553 0.070 . 2 . . . . 40 GLN HG2 . 16977 1 452 . 1 1 40 40 GLN HG3 H 1 2.527 0.004 . 2 . . . . 40 GLN HG3 . 16977 1 453 . 1 1 40 40 GLN C C 13 179.339 0.070 . 1 . . . . 40 GLN CO . 16977 1 454 . 1 1 40 40 GLN CA C 13 59.075 0.015 . 1 . . . . 40 GLN CA . 16977 1 455 . 1 1 40 40 GLN CB C 13 30.198 0.043 . 1 . . . . 40 GLN CB . 16977 1 456 . 1 1 40 40 GLN CG C 13 35.213 0.037 . 1 . . . . 40 GLN CG . 16977 1 457 . 1 1 40 40 GLN N N 15 119.694 0.083 . 1 . . . . 40 GLN N . 16977 1 458 . 1 1 40 40 GLN NE2 N 15 111.892 0.001 . 1 . . . . 40 GLN NE2 . 16977 1 459 . 1 1 41 41 VAL H H 1 8.645 0.002 . 1 . . . . 41 VAL HN . 16977 1 460 . 1 1 41 41 VAL HA H 1 3.459 0.003 . 1 . . . . 41 VAL HA . 16977 1 461 . 1 1 41 41 VAL HB H 1 2.107 0.001 . 1 . . . . 41 VAL HB . 16977 1 462 . 1 1 41 41 VAL HG11 H 1 0.974 0.005 . 2 . . . . 41 VAL HG11 . 16977 1 463 . 1 1 41 41 VAL HG12 H 1 0.974 0.005 . 2 . . . . 41 VAL HG11 . 16977 1 464 . 1 1 41 41 VAL HG13 H 1 0.974 0.005 . 2 . . . . 41 VAL HG11 . 16977 1 465 . 1 1 41 41 VAL HG21 H 1 0.983 0.001 . 2 . . . . 41 VAL HG21 . 16977 1 466 . 1 1 41 41 VAL HG22 H 1 0.983 0.001 . 2 . . . . 41 VAL HG21 . 16977 1 467 . 1 1 41 41 VAL HG23 H 1 0.983 0.001 . 2 . . . . 41 VAL HG21 . 16977 1 468 . 1 1 41 41 VAL C C 13 177.433 0.070 . 1 . . . . 41 VAL CO . 16977 1 469 . 1 1 41 41 VAL CA C 13 67.788 0.090 . 1 . . . . 41 VAL CA . 16977 1 470 . 1 1 41 41 VAL CB C 13 31.922 0.077 . 1 . . . . 41 VAL CB . 16977 1 471 . 1 1 41 41 VAL CG1 C 13 21.752 0.049 . 2 . . . . 41 VAL CG1 . 16977 1 472 . 1 1 41 41 VAL CG2 C 13 24.243 0.009 . 2 . . . . 41 VAL CG2 . 16977 1 473 . 1 1 41 41 VAL N N 15 119.978 0.028 . 1 . . . . 41 VAL N . 16977 1 474 . 1 1 42 42 ALA H H 1 7.909 0.001 . 1 . . . . 42 ALA HN . 16977 1 475 . 1 1 42 42 ALA HA H 1 4.019 0.004 . 1 . . . . 42 ALA HA . 16977 1 476 . 1 1 42 42 ALA HB1 H 1 1.472 0.002 . 1 . . . . 42 ALA HB1 . 16977 1 477 . 1 1 42 42 ALA HB2 H 1 1.472 0.002 . 1 . . . . 42 ALA HB1 . 16977 1 478 . 1 1 42 42 ALA HB3 H 1 1.472 0.002 . 1 . . . . 42 ALA HB1 . 16977 1 479 . 1 1 42 42 ALA C C 13 180.285 0.070 . 1 . . . . 42 ALA CO . 16977 1 480 . 1 1 42 42 ALA CA C 13 55.395 0.017 . 1 . . . . 42 ALA CA . 16977 1 481 . 1 1 42 42 ALA CB C 13 17.889 0.055 . 1 . . . . 42 ALA CB . 16977 1 482 . 1 1 42 42 ALA N N 15 121.283 0.048 . 1 . . . . 42 ALA N . 16977 1 483 . 1 1 43 43 GLN H H 1 7.920 0.001 . 1 . . . . 43 GLN HN . 16977 1 484 . 1 1 43 43 GLN HA H 1 3.956 0.005 . 1 . . . . 43 GLN HA . 16977 1 485 . 1 1 43 43 GLN HB2 H 1 1.986 0.001 . 2 . . . . 43 GLN HB2 . 16977 1 486 . 1 1 43 43 GLN HE21 H 1 7.120 0.001 . 2 . . . . 43 GLN HE21 . 16977 1 487 . 1 1 43 43 GLN HE22 H 1 6.877 0.070 . 2 . . . . 43 GLN HE22 . 16977 1 488 . 1 1 43 43 GLN HG2 H 1 2.139 0.006 . 2 . . . . 43 GLN HG2 . 16977 1 489 . 1 1 43 43 GLN HG3 H 1 1.983 0.070 . 2 . . . . 43 GLN HG3 . 16977 1 490 . 1 1 43 43 GLN C C 13 178.858 0.070 . 1 . . . . 43 GLN CO . 16977 1 491 . 1 1 43 43 GLN CA C 13 58.697 0.008 . 1 . . . . 43 GLN CA . 16977 1 492 . 1 1 43 43 GLN CB C 13 28.686 0.063 . 1 . . . . 43 GLN CB . 16977 1 493 . 1 1 43 43 GLN CG C 13 33.838 0.008 . 1 . . . . 43 GLN CG . 16977 1 494 . 1 1 43 43 GLN N N 15 116.749 0.021 . 1 . . . . 43 GLN N . 16977 1 495 . 1 1 43 43 GLN NE2 N 15 112.209 0.070 . 1 . . . . 43 GLN NE2 . 16977 1 496 . 1 1 44 44 TYR H H 1 8.169 0.002 . 1 . . . . 44 TYR HN . 16977 1 497 . 1 1 44 44 TYR HA H 1 4.318 0.004 . 1 . . . . 44 TYR HA . 16977 1 498 . 1 1 44 44 TYR HB2 H 1 3.107 0.003 . 2 . . . . 44 TYR HB2 . 16977 1 499 . 1 1 44 44 TYR HB3 H 1 2.927 0.004 . 2 . . . . 44 TYR HB3 . 16977 1 500 . 1 1 44 44 TYR HD1 H 1 6.991 0.002 . 3 . . . . 44 TYR HD1 . 16977 1 501 . 1 1 44 44 TYR HE1 H 1 6.712 0.002 . 3 . . . . 44 TYR HE1 . 16977 1 502 . 1 1 44 44 TYR C C 13 178.016 0.070 . 1 . . . . 44 TYR CO . 16977 1 503 . 1 1 44 44 TYR CA C 13 62.184 0.009 . 1 . . . . 44 TYR CA . 16977 1 504 . 1 1 44 44 TYR CB C 13 38.148 0.072 . 1 . . . . 44 TYR CB . 16977 1 505 . 1 1 44 44 TYR CD1 C 13 132.339 0.043 . 3 . . . . 44 TYR CD1 . 16977 1 506 . 1 1 44 44 TYR CE1 C 13 117.809 0.022 . 3 . . . . 44 TYR CE1 . 16977 1 507 . 1 1 44 44 TYR N N 15 120.723 0.020 . 1 . . . . 44 TYR N . 16977 1 508 . 1 1 45 45 ARG H H 1 9.044 0.002 . 1 . . . . 45 ARG HN . 16977 1 509 . 1 1 45 45 ARG HA H 1 3.679 0.002 . 1 . . . . 45 ARG HA . 16977 1 510 . 1 1 45 45 ARG HB2 H 1 2.007 0.006 . 2 . . . . 45 ARG HB2 . 16977 1 511 . 1 1 45 45 ARG HB3 H 1 1.909 0.001 . 2 . . . . 45 ARG HB3 . 16977 1 512 . 1 1 45 45 ARG HD2 H 1 3.269 0.075 . 2 . . . . 45 ARG HD2 . 16977 1 513 . 1 1 45 45 ARG HG2 H 1 1.895 0.090 . 2 . . . . 45 ARG HG2 . 16977 1 514 . 1 1 45 45 ARG HG3 H 1 1.602 0.003 . 2 . . . . 45 ARG HG3 . 16977 1 515 . 1 1 45 45 ARG C C 13 178.200 0.070 . 1 . . . . 45 ARG CO . 16977 1 516 . 1 1 45 45 ARG CA C 13 60.736 0.049 . 1 . . . . 45 ARG CA . 16977 1 517 . 1 1 45 45 ARG CB C 13 30.090 0.003 . 1 . . . . 45 ARG CB . 16977 1 518 . 1 1 45 45 ARG CD C 13 43.833 0.090 . 1 . . . . 45 ARG CD . 16977 1 519 . 1 1 45 45 ARG CG C 13 28.873 0.080 . 1 . . . . 45 ARG CG . 16977 1 520 . 1 1 45 45 ARG N N 15 118.892 0.016 . 1 . . . . 45 ARG N . 16977 1 521 . 1 1 46 46 ASN H H 1 7.826 0.005 . 1 . . . . 46 ASN HN . 16977 1 522 . 1 1 46 46 ASN HA H 1 4.462 0.002 . 1 . . . . 46 ASN HA . 16977 1 523 . 1 1 46 46 ASN HB2 H 1 2.955 0.005 . 2 . . . . 46 ASN HB2 . 16977 1 524 . 1 1 46 46 ASN HB3 H 1 2.835 0.001 . 2 . . . . 46 ASN HB3 . 16977 1 525 . 1 1 46 46 ASN HD21 H 1 7.559 0.070 . 2 . . . . 46 ASN HD21 . 16977 1 526 . 1 1 46 46 ASN HD22 H 1 6.915 0.070 . 2 . . . . 46 ASN HD22 . 16977 1 527 . 1 1 46 46 ASN C C 13 178.338 0.070 . 1 . . . . 46 ASN CO . 16977 1 528 . 1 1 46 46 ASN CA C 13 56.407 0.101 . 1 . . . . 46 ASN CA . 16977 1 529 . 1 1 46 46 ASN CB C 13 37.953 0.032 . 1 . . . . 46 ASN CB . 16977 1 530 . 1 1 46 46 ASN N N 15 116.318 0.026 . 1 . . . . 46 ASN N . 16977 1 531 . 1 1 46 46 ASN ND2 N 15 112.203 0.070 . 1 . . . . 46 ASN ND2 . 16977 1 532 . 1 1 47 47 ILE H H 1 7.601 0.004 . 1 . . . . 47 ILE HN . 16977 1 533 . 1 1 47 47 ILE HA H 1 3.764 0.003 . 1 . . . . 47 ILE HA . 16977 1 534 . 1 1 47 47 ILE HB H 1 1.865 0.003 . 1 . . . . 47 ILE HB . 16977 1 535 . 1 1 47 47 ILE HD11 H 1 0.866 0.006 . 1 . . . . 47 ILE HD11 . 16977 1 536 . 1 1 47 47 ILE HD12 H 1 0.866 0.006 . 1 . . . . 47 ILE HD11 . 16977 1 537 . 1 1 47 47 ILE HD13 H 1 0.866 0.006 . 1 . . . . 47 ILE HD11 . 16977 1 538 . 1 1 47 47 ILE HG12 H 1 1.722 0.004 . 2 . . . . 47 ILE HG12 . 16977 1 539 . 1 1 47 47 ILE HG13 H 1 1.173 0.002 . 2 . . . . 47 ILE HG13 . 16977 1 540 . 1 1 47 47 ILE HG21 H 1 0.760 0.002 . 1 . . . . 47 ILE HG21 . 16977 1 541 . 1 1 47 47 ILE HG22 H 1 0.760 0.002 . 1 . . . . 47 ILE HG21 . 16977 1 542 . 1 1 47 47 ILE HG23 H 1 0.760 0.002 . 1 . . . . 47 ILE HG21 . 16977 1 543 . 1 1 47 47 ILE C C 13 179.038 0.070 . 1 . . . . 47 ILE CO . 16977 1 544 . 1 1 47 47 ILE CA C 13 65.078 0.011 . 1 . . . . 47 ILE CA . 16977 1 545 . 1 1 47 47 ILE CB C 13 37.989 0.051 . 1 . . . . 47 ILE CB . 16977 1 546 . 1 1 47 47 ILE CD1 C 13 13.361 0.046 . 1 . . . . 47 ILE CD1 . 16977 1 547 . 1 1 47 47 ILE CG1 C 13 29.120 0.055 . 1 . . . . 47 ILE CG1 . 16977 1 548 . 1 1 47 47 ILE CG2 C 13 17.227 0.031 . 1 . . . . 47 ILE CG2 . 16977 1 549 . 1 1 47 47 ILE N N 15 122.598 0.032 . 1 . . . . 47 ILE N . 16977 1 550 . 1 1 48 48 LEU H H 1 8.000 0.003 . 1 . . . . 48 LEU HN . 16977 1 551 . 1 1 48 48 LEU HA H 1 3.795 0.006 . 1 . . . . 48 LEU HA . 16977 1 552 . 1 1 48 48 LEU HB2 H 1 1.786 0.005 . 2 . . . . 48 LEU HB2 . 16977 1 553 . 1 1 48 48 LEU HB3 H 1 0.997 0.004 . 2 . . . . 48 LEU HB3 . 16977 1 554 . 1 1 48 48 LEU HD11 H 1 0.553 0.009 . 2 . . . . 48 LEU HD11 . 16977 1 555 . 1 1 48 48 LEU HD12 H 1 0.553 0.009 . 2 . . . . 48 LEU HD11 . 16977 1 556 . 1 1 48 48 LEU HD13 H 1 0.553 0.009 . 2 . . . . 48 LEU HD11 . 16977 1 557 . 1 1 48 48 LEU HD21 H 1 0.243 0.003 . 2 . . . . 48 LEU HD21 . 16977 1 558 . 1 1 48 48 LEU HD22 H 1 0.243 0.003 . 2 . . . . 48 LEU HD21 . 16977 1 559 . 1 1 48 48 LEU HD23 H 1 0.243 0.003 . 2 . . . . 48 LEU HD21 . 16977 1 560 . 1 1 48 48 LEU HG H 1 1.374 0.003 . 1 . . . . 48 LEU HG . 16977 1 561 . 1 1 48 48 LEU C C 13 178.852 0.070 . 1 . . . . 48 LEU CO . 16977 1 562 . 1 1 48 48 LEU CA C 13 58.487 0.034 . 1 . . . . 48 LEU CA . 16977 1 563 . 1 1 48 48 LEU CB C 13 41.667 0.067 . 1 . . . . 48 LEU CB . 16977 1 564 . 1 1 48 48 LEU CD1 C 13 22.857 0.070 . 2 . . . . 48 LEU CD1 . 16977 1 565 . 1 1 48 48 LEU CD2 C 13 25.581 0.070 . 2 . . . . 48 LEU CD2 . 16977 1 566 . 1 1 48 48 LEU CG C 13 26.810 0.070 . 1 . . . . 48 LEU CG . 16977 1 567 . 1 1 48 48 LEU N N 15 121.312 0.037 . 1 . . . . 48 LEU N . 16977 1 568 . 1 1 49 49 ASN H H 1 8.750 0.002 . 1 . . . . 49 ASN HN . 16977 1 569 . 1 1 49 49 ASN HA H 1 4.103 0.007 . 1 . . . . 49 ASN HA . 16977 1 570 . 1 1 49 49 ASN HB2 H 1 2.833 0.004 . 2 . . . . 49 ASN HB2 . 16977 1 571 . 1 1 49 49 ASN HB3 H 1 2.770 0.010 . 2 . . . . 49 ASN HB3 . 16977 1 572 . 1 1 49 49 ASN HD21 H 1 7.465 0.001 . 2 . . . . 49 ASN HD21 . 16977 1 573 . 1 1 49 49 ASN HD22 H 1 6.630 0.002 . 2 . . . . 49 ASN HD22 . 16977 1 574 . 1 1 49 49 ASN C C 13 176.810 0.070 . 1 . . . . 49 ASN CO . 16977 1 575 . 1 1 49 49 ASN CA C 13 57.262 0.072 . 1 . . . . 49 ASN CA . 16977 1 576 . 1 1 49 49 ASN CB C 13 39.662 0.023 . 1 . . . . 49 ASN CB . 16977 1 577 . 1 1 49 49 ASN N N 15 117.478 0.017 . 1 . . . . 49 ASN N . 16977 1 578 . 1 1 49 49 ASN ND2 N 15 112.132 0.020 . 1 . . . . 49 ASN ND2 . 16977 1 579 . 1 1 50 50 ALA H H 1 7.789 0.003 . 1 . . . . 50 ALA HN . 16977 1 580 . 1 1 50 50 ALA HA H 1 4.032 0.005 . 1 . . . . 50 ALA HA . 16977 1 581 . 1 1 50 50 ALA HB1 H 1 1.490 0.001 . 1 . . . . 50 ALA HB1 . 16977 1 582 . 1 1 50 50 ALA HB2 H 1 1.490 0.001 . 1 . . . . 50 ALA HB1 . 16977 1 583 . 1 1 50 50 ALA HB3 H 1 1.490 0.001 . 1 . . . . 50 ALA HB1 . 16977 1 584 . 1 1 50 50 ALA C C 13 180.595 0.070 . 1 . . . . 50 ALA CO . 16977 1 585 . 1 1 50 50 ALA CA C 13 55.144 0.001 . 1 . . . . 50 ALA CA . 16977 1 586 . 1 1 50 50 ALA CB C 13 18.100 0.068 . 1 . . . . 50 ALA CB . 16977 1 587 . 1 1 50 50 ALA N N 15 119.017 0.046 . 1 . . . . 50 ALA N . 16977 1 588 . 1 1 51 51 SER H H 1 7.489 0.003 . 1 . . . . 51 SER HN . 16977 1 589 . 1 1 51 51 SER HA H 1 4.306 0.003 . 1 . . . . 51 SER HA . 16977 1 590 . 1 1 51 51 SER HB2 H 1 3.980 0.002 . 2 . . . . 51 SER HB2 . 16977 1 591 . 1 1 51 51 SER HB3 H 1 3.673 0.003 . 2 . . . . 51 SER HB3 . 16977 1 592 . 1 1 51 51 SER C C 13 175.046 0.070 . 1 . . . . 51 SER CO . 16977 1 593 . 1 1 51 51 SER CA C 13 62.221 0.030 . 1 . . . . 51 SER CA . 16977 1 594 . 1 1 51 51 SER CB C 13 63.614 0.045 . 1 . . . . 51 SER CB . 16977 1 595 . 1 1 51 51 SER N N 15 112.878 0.038 . 1 . . . . 51 SER N . 16977 1 596 . 1 1 52 52 LEU H H 1 8.155 0.002 . 1 . . . . 52 LEU HN . 16977 1 597 . 1 1 52 52 LEU HA H 1 4.165 0.006 . 1 . . . . 52 LEU HA . 16977 1 598 . 1 1 52 52 LEU HB2 H 1 1.923 0.003 . 2 . . . . 52 LEU HB2 . 16977 1 599 . 1 1 52 52 LEU HB3 H 1 1.422 0.005 . 2 . . . . 52 LEU HB3 . 16977 1 600 . 1 1 52 52 LEU HD11 H 1 0.930 0.003 . 2 . . . . 52 LEU HD11 . 16977 1 601 . 1 1 52 52 LEU HD12 H 1 0.930 0.003 . 2 . . . . 52 LEU HD11 . 16977 1 602 . 1 1 52 52 LEU HD13 H 1 0.930 0.003 . 2 . . . . 52 LEU HD11 . 16977 1 603 . 1 1 52 52 LEU HD21 H 1 0.764 0.006 . 2 . . . . 52 LEU HD21 . 16977 1 604 . 1 1 52 52 LEU HD22 H 1 0.764 0.006 . 2 . . . . 52 LEU HD21 . 16977 1 605 . 1 1 52 52 LEU HD23 H 1 0.764 0.006 . 2 . . . . 52 LEU HD21 . 16977 1 606 . 1 1 52 52 LEU HG H 1 1.992 0.002 . 1 . . . . 52 LEU HG . 16977 1 607 . 1 1 52 52 LEU C C 13 179.931 0.070 . 1 . . . . 52 LEU CO . 16977 1 608 . 1 1 52 52 LEU CA C 13 57.577 0.070 . 1 . . . . 52 LEU CA . 16977 1 609 . 1 1 52 52 LEU CB C 13 41.756 0.075 . 1 . . . . 52 LEU CB . 16977 1 610 . 1 1 52 52 LEU CD1 C 13 24.311 0.070 . 2 . . . . 52 LEU CD1 . 16977 1 611 . 1 1 52 52 LEU CD2 C 13 26.188 0.026 . 2 . . . . 52 LEU CD2 . 16977 1 612 . 1 1 52 52 LEU CG C 13 26.885 0.042 . 1 . . . . 52 LEU CG . 16977 1 613 . 1 1 52 52 LEU N N 15 119.252 0.018 . 1 . . . . 52 LEU N . 16977 1 614 . 1 1 53 53 GLN H H 1 7.882 0.002 . 1 . . . . 53 GLN HN . 16977 1 615 . 1 1 53 53 GLN HA H 1 3.994 0.005 . 1 . . . . 53 GLN HA . 16977 1 616 . 1 1 53 53 GLN HB2 H 1 2.140 0.070 . 2 . . . . 53 GLN HB2 . 16977 1 617 . 1 1 53 53 GLN HB3 H 1 2.086 0.001 . 2 . . . . 53 GLN HB3 . 16977 1 618 . 1 1 53 53 GLN HE21 H 1 7.261 0.070 . 2 . . . . 53 GLN HE21 . 16977 1 619 . 1 1 53 53 GLN HE22 H 1 6.777 0.070 . 2 . . . . 53 GLN HE22 . 16977 1 620 . 1 1 53 53 GLN HG2 H 1 2.497 0.002 . 2 . . . . 53 GLN HG . 16977 1 621 . 1 1 53 53 GLN HG3 H 1 2.497 0.002 . 2 . . . . 53 GLN HG . 16977 1 622 . 1 1 53 53 GLN C C 13 176.965 0.070 . 1 . . . . 53 GLN CO . 16977 1 623 . 1 1 53 53 GLN CA C 13 58.065 0.032 . 1 . . . . 53 GLN CA . 16977 1 624 . 1 1 53 53 GLN CB C 13 28.868 0.073 . 1 . . . . 53 GLN CB . 16977 1 625 . 1 1 53 53 GLN CG C 13 34.146 0.030 . 1 . . . . 53 GLN CG . 16977 1 626 . 1 1 53 53 GLN N N 15 115.099 0.031 . 1 . . . . 53 GLN N . 16977 1 627 . 1 1 53 53 GLN NE2 N 15 111.993 0.001 . 1 . . . . 53 GLN NE2 . 16977 1 628 . 1 1 54 54 VAL H H 1 7.162 0.005 . 1 . . . . 54 VAL HN . 16977 1 629 . 1 1 54 54 VAL HA H 1 4.273 0.002 . 1 . . . . 54 VAL HA . 16977 1 630 . 1 1 54 54 VAL HB H 1 2.508 0.004 . 1 . . . . 54 VAL HB . 16977 1 631 . 1 1 54 54 VAL HG11 H 1 1.195 0.003 . 2 . . . . 54 VAL HG11 . 16977 1 632 . 1 1 54 54 VAL HG12 H 1 1.195 0.003 . 2 . . . . 54 VAL HG11 . 16977 1 633 . 1 1 54 54 VAL HG13 H 1 1.195 0.003 . 2 . . . . 54 VAL HG11 . 16977 1 634 . 1 1 54 54 VAL HG21 H 1 1.050 0.007 . 2 . . . . 54 VAL HG21 . 16977 1 635 . 1 1 54 54 VAL HG22 H 1 1.050 0.007 . 2 . . . . 54 VAL HG21 . 16977 1 636 . 1 1 54 54 VAL HG23 H 1 1.050 0.007 . 2 . . . . 54 VAL HG21 . 16977 1 637 . 1 1 54 54 VAL C C 13 175.924 0.070 . 1 . . . . 54 VAL CO . 16977 1 638 . 1 1 54 54 VAL CA C 13 61.668 0.011 . 1 . . . . 54 VAL CA . 16977 1 639 . 1 1 54 54 VAL CB C 13 31.608 0.048 . 1 . . . . 54 VAL CB . 16977 1 640 . 1 1 54 54 VAL CG1 C 13 20.341 0.070 . 2 . . . . 54 VAL CG1 . 16977 1 641 . 1 1 54 54 VAL CG2 C 13 21.730 0.070 . 2 . . . . 54 VAL CG2 . 16977 1 642 . 1 1 54 54 VAL N N 15 111.537 0.031 . 1 . . . . 54 VAL N . 16977 1 643 . 1 1 55 55 ASP H H 1 6.967 0.001 . 1 . . . . 55 ASP HN . 16977 1 644 . 1 1 55 55 ASP HA H 1 3.866 0.004 . 1 . . . . 55 ASP HA . 16977 1 645 . 1 1 55 55 ASP HB2 H 1 2.400 0.004 . 2 . . . . 55 ASP HB2 . 16977 1 646 . 1 1 55 55 ASP HB3 H 1 2.016 0.003 . 2 . . . . 55 ASP HB3 . 16977 1 647 . 1 1 55 55 ASP C C 13 177.114 0.070 . 1 . . . . 55 ASP CO . 16977 1 648 . 1 1 55 55 ASP CA C 13 54.978 0.079 . 1 . . . . 55 ASP CA . 16977 1 649 . 1 1 55 55 ASP CB C 13 41.198 0.044 . 1 . . . . 55 ASP CB . 16977 1 650 . 1 1 55 55 ASP N N 15 122.129 0.025 . 1 . . . . 55 ASP N . 16977 1 651 . 1 1 56 56 ARG H H 1 8.168 0.001 . 1 . . . . 56 ARG HN . 16977 1 652 . 1 1 56 56 ARG HA H 1 4.119 0.003 . 1 . . . . 56 ARG HA . 16977 1 653 . 1 1 56 56 ARG HB2 H 1 1.984 0.006 . 2 . . . . 56 ARG HB2 . 16977 1 654 . 1 1 56 56 ARG HB3 H 1 1.763 0.001 . 2 . . . . 56 ARG HB3 . 16977 1 655 . 1 1 56 56 ARG C C 13 176.345 0.070 . 1 . . . . 56 ARG CO . 16977 1 656 . 1 1 56 56 ARG CA C 13 56.898 0.011 . 1 . . . . 56 ARG CA . 16977 1 657 . 1 1 56 56 ARG CB C 13 30.099 0.015 . 1 . . . . 56 ARG CB . 16977 1 658 . 1 1 56 56 ARG N N 15 125.741 0.015 . 1 . . . . 56 ARG N . 16977 1 659 . 1 1 57 57 ASP H H 1 8.374 0.002 . 1 . . . . 57 ASP HN . 16977 1 660 . 1 1 57 57 ASP HA H 1 4.529 0.004 . 1 . . . . 57 ASP HA . 16977 1 661 . 1 1 57 57 ASP HB2 H 1 3.128 0.001 . 2 . . . . 57 ASP HB2 . 16977 1 662 . 1 1 57 57 ASP HB3 H 1 2.309 0.003 . 2 . . . . 57 ASP HB3 . 16977 1 663 . 1 1 57 57 ASP C C 13 174.913 0.070 . 1 . . . . 57 ASP CO . 16977 1 664 . 1 1 57 57 ASP CA C 13 53.129 0.004 . 1 . . . . 57 ASP CA . 16977 1 665 . 1 1 57 57 ASP CB C 13 40.671 0.037 . 1 . . . . 57 ASP CB . 16977 1 666 . 1 1 57 57 ASP N N 15 122.516 0.016 . 1 . . . . 57 ASP N . 16977 1 667 . 1 1 58 58 ALA H H 1 8.116 0.001 . 1 . . . . 58 ALA HN . 16977 1 668 . 1 1 58 58 ALA HA H 1 4.029 0.006 . 1 . . . . 58 ALA HA . 16977 1 669 . 1 1 58 58 ALA HB1 H 1 1.415 0.001 . 1 . . . . 58 ALA HB1 . 16977 1 670 . 1 1 58 58 ALA HB2 H 1 1.415 0.001 . 1 . . . . 58 ALA HB1 . 16977 1 671 . 1 1 58 58 ALA HB3 H 1 1.415 0.001 . 1 . . . . 58 ALA HB1 . 16977 1 672 . 1 1 58 58 ALA C C 13 179.831 0.070 . 1 . . . . 58 ALA CO . 16977 1 673 . 1 1 58 58 ALA CA C 13 54.677 0.070 . 1 . . . . 58 ALA CA . 16977 1 674 . 1 1 58 58 ALA CB C 13 18.690 0.070 . 1 . . . . 58 ALA CB . 16977 1 675 . 1 1 58 58 ALA N N 15 128.235 0.023 . 1 . . . . 58 ALA N . 16977 1 676 . 1 1 59 59 ALA H H 1 8.142 0.003 . 1 . . . . 59 ALA HN . 16977 1 677 . 1 1 59 59 ALA HA H 1 4.042 0.006 . 1 . . . . 59 ALA HA . 16977 1 678 . 1 1 59 59 ALA HB1 H 1 1.439 0.004 . 1 . . . . 59 ALA HB1 . 16977 1 679 . 1 1 59 59 ALA HB2 H 1 1.439 0.004 . 1 . . . . 59 ALA HB1 . 16977 1 680 . 1 1 59 59 ALA HB3 H 1 1.439 0.004 . 1 . . . . 59 ALA HB1 . 16977 1 681 . 1 1 59 59 ALA C C 13 180.562 0.070 . 1 . . . . 59 ALA CO . 16977 1 682 . 1 1 59 59 ALA CA C 13 54.946 0.070 . 1 . . . . 59 ALA CA . 16977 1 683 . 1 1 59 59 ALA CB C 13 18.132 0.032 . 1 . . . . 59 ALA CB . 16977 1 684 . 1 1 59 59 ALA N N 15 120.750 0.026 . 1 . . . . 59 ALA N . 16977 1 685 . 1 1 60 60 ARG H H 1 8.062 0.002 . 1 . . . . 60 ARG HN . 16977 1 686 . 1 1 60 60 ARG HA H 1 3.891 0.004 . 1 . . . . 60 ARG HA . 16977 1 687 . 1 1 60 60 ARG HB2 H 1 1.988 0.004 . 2 . . . . 60 ARG HB2 . 16977 1 688 . 1 1 60 60 ARG HB3 H 1 1.451 0.003 . 2 . . . . 60 ARG HB3 . 16977 1 689 . 1 1 60 60 ARG C C 13 177.788 0.070 . 1 . . . . 60 ARG CO . 16977 1 690 . 1 1 60 60 ARG CA C 13 59.478 0.015 . 1 . . . . 60 ARG CA . 16977 1 691 . 1 1 60 60 ARG CB C 13 29.968 0.134 . 1 . . . . 60 ARG CB . 16977 1 692 . 1 1 60 60 ARG N N 15 121.857 0.023 . 1 . . . . 60 ARG N . 16977 1 693 . 1 1 61 61 SER H H 1 8.222 0.002 . 1 . . . . 61 SER HN . 16977 1 694 . 1 1 61 61 SER HA H 1 4.287 0.009 . 1 . . . . 61 SER HA . 16977 1 695 . 1 1 61 61 SER HB2 H 1 3.888 0.003 . 2 . . . . 61 SER HB2 . 16977 1 696 . 1 1 61 61 SER C C 13 177.127 0.070 . 1 . . . . 61 SER CO . 16977 1 697 . 1 1 61 61 SER CA C 13 61.644 0.016 . 1 . . . . 61 SER CA . 16977 1 698 . 1 1 61 61 SER CB C 13 63.219 0.041 . 1 . . . . 61 SER CB . 16977 1 699 . 1 1 61 61 SER N N 15 114.313 0.020 . 1 . . . . 61 SER N . 16977 1 700 . 1 1 62 62 ARG H H 1 7.785 0.003 . 1 . . . . 62 ARG HN . 16977 1 701 . 1 1 62 62 ARG HA H 1 4.013 0.002 . 1 . . . . 62 ARG HA . 16977 1 702 . 1 1 62 62 ARG HB2 H 1 1.948 0.001 . 2 . . . . 62 ARG HB2 . 16977 1 703 . 1 1 62 62 ARG HB3 H 1 1.837 0.004 . 2 . . . . 62 ARG HB3 . 16977 1 704 . 1 1 62 62 ARG HD2 H 1 3.230 0.070 . 2 . . . . 62 ARG HD2 . 16977 1 705 . 1 1 62 62 ARG HD3 H 1 3.173 0.070 . 2 . . . . 62 ARG HD3 . 16977 1 706 . 1 1 62 62 ARG HG2 H 1 1.818 0.070 . 2 . . . . 62 ARG HG2 . 16977 1 707 . 1 1 62 62 ARG HG3 H 1 1.631 0.002 . 2 . . . . 62 ARG HG3 . 16977 1 708 . 1 1 62 62 ARG C C 13 179.568 0.070 . 1 . . . . 62 ARG CO . 16977 1 709 . 1 1 62 62 ARG CA C 13 59.752 0.017 . 1 . . . . 62 ARG CA . 16977 1 710 . 1 1 62 62 ARG CB C 13 30.134 0.070 . 1 . . . . 62 ARG CB . 16977 1 711 . 1 1 62 62 ARG CD C 13 43.576 0.070 . 1 . . . . 62 ARG CD . 16977 1 712 . 1 1 62 62 ARG CG C 13 27.659 0.006 . 1 . . . . 62 ARG CG . 16977 1 713 . 1 1 62 62 ARG N N 15 119.308 0.060 . 1 . . . . 62 ARG N . 16977 1 714 . 1 1 63 63 ARG H H 1 7.655 0.002 . 1 . . . . 63 ARG HN . 16977 1 715 . 1 1 63 63 ARG HA H 1 4.119 0.003 . 1 . . . . 63 ARG HA . 16977 1 716 . 1 1 63 63 ARG HB2 H 1 1.969 0.070 . 2 . . . . 63 ARG HB2 . 16977 1 717 . 1 1 63 63 ARG HB3 H 1 1.768 0.070 . 2 . . . . 63 ARG HB3 . 16977 1 718 . 1 1 63 63 ARG HD2 H 1 3.267 0.070 . 2 . . . . 63 ARG HD2 . 16977 1 719 . 1 1 63 63 ARG HD3 H 1 3.211 0.070 . 2 . . . . 63 ARG HD3 . 16977 1 720 . 1 1 63 63 ARG HG2 H 1 1.724 0.010 . 2 . . . . 63 ARG HG2 . 16977 1 721 . 1 1 63 63 ARG HG3 H 1 1.540 0.003 . 2 . . . . 63 ARG HG3 . 16977 1 722 . 1 1 63 63 ARG C C 13 179.210 0.070 . 1 . . . . 63 ARG CO . 16977 1 723 . 1 1 63 63 ARG CA C 13 59.376 0.097 . 1 . . . . 63 ARG CA . 16977 1 724 . 1 1 63 63 ARG CB C 13 30.288 0.093 . 1 . . . . 63 ARG CB . 16977 1 725 . 1 1 63 63 ARG CD C 13 43.428 0.070 . 1 . . . . 63 ARG CD . 16977 1 726 . 1 1 63 63 ARG CG C 13 27.741 0.066 . 1 . . . . 63 ARG CG . 16977 1 727 . 1 1 63 63 ARG N N 15 119.872 0.022 . 1 . . . . 63 ARG N . 16977 1 728 . 1 1 64 64 LEU H H 1 8.562 0.002 . 1 . . . . 64 LEU HN . 16977 1 729 . 1 1 64 64 LEU HA H 1 4.050 0.003 . 1 . . . . 64 LEU HA . 16977 1 730 . 1 1 64 64 LEU HB2 H 1 1.997 0.002 . 2 . . . . 64 LEU HB2 . 16977 1 731 . 1 1 64 64 LEU HB3 H 1 1.293 0.003 . 2 . . . . 64 LEU HB3 . 16977 1 732 . 1 1 64 64 LEU HD11 H 1 0.859 0.003 . 2 . . . . 64 LEU HD11 . 16977 1 733 . 1 1 64 64 LEU HD12 H 1 0.859 0.003 . 2 . . . . 64 LEU HD11 . 16977 1 734 . 1 1 64 64 LEU HD13 H 1 0.859 0.003 . 2 . . . . 64 LEU HD11 . 16977 1 735 . 1 1 64 64 LEU HD21 H 1 0.805 0.070 . 2 . . . . 64 LEU HD21 . 16977 1 736 . 1 1 64 64 LEU HD22 H 1 0.805 0.070 . 2 . . . . 64 LEU HD21 . 16977 1 737 . 1 1 64 64 LEU HD23 H 1 0.805 0.070 . 2 . . . . 64 LEU HD21 . 16977 1 738 . 1 1 64 64 LEU HG H 1 2.005 0.007 . 1 . . . . 64 LEU HG . 16977 1 739 . 1 1 64 64 LEU C C 13 179.224 0.070 . 1 . . . . 64 LEU CO . 16977 1 740 . 1 1 64 64 LEU CA C 13 58.035 0.070 . 1 . . . . 64 LEU CA . 16977 1 741 . 1 1 64 64 LEU CB C 13 40.502 0.044 . 1 . . . . 64 LEU CB . 16977 1 742 . 1 1 64 64 LEU CD1 C 13 25.303 0.054 . 2 . . . . 64 LEU CD1 . 16977 1 743 . 1 1 64 64 LEU CD2 C 13 22.631 0.070 . 2 . . . . 64 LEU CD2 . 16977 1 744 . 1 1 64 64 LEU CG C 13 26.983 0.023 . 1 . . . . 64 LEU CG . 16977 1 745 . 1 1 64 64 LEU N N 15 119.068 0.016 . 1 . . . . 64 LEU N . 16977 1 746 . 1 1 65 65 MET H H 1 8.874 0.002 . 1 . . . . 65 MET HN . 16977 1 747 . 1 1 65 65 MET HA H 1 3.984 0.009 . 1 . . . . 65 MET HA . 16977 1 748 . 1 1 65 65 MET HB2 H 1 2.192 0.003 . 2 . . . . 65 MET HB2 . 16977 1 749 . 1 1 65 65 MET HB3 H 1 2.037 0.007 . 2 . . . . 65 MET HB3 . 16977 1 750 . 1 1 65 65 MET HE1 H 1 2.038 0.003 . 1 . . . . 65 MET HE . 16977 1 751 . 1 1 65 65 MET HE2 H 1 2.038 0.003 . 1 . . . . 65 MET HE . 16977 1 752 . 1 1 65 65 MET HE3 H 1 2.038 0.003 . 1 . . . . 65 MET HE . 16977 1 753 . 1 1 65 65 MET HG2 H 1 2.737 0.003 . 2 . . . . 65 MET HG2 . 16977 1 754 . 1 1 65 65 MET HG3 H 1 2.566 0.003 . 2 . . . . 65 MET HG3 . 16977 1 755 . 1 1 65 65 MET C C 13 179.409 0.070 . 1 . . . . 65 MET CO . 16977 1 756 . 1 1 65 65 MET CA C 13 58.890 0.006 . 1 . . . . 65 MET CA . 16977 1 757 . 1 1 65 65 MET CB C 13 32.038 0.055 . 1 . . . . 65 MET CB . 16977 1 758 . 1 1 65 65 MET CE C 13 17.086 0.072 . 1 . . . . 65 MET CE . 16977 1 759 . 1 1 65 65 MET CG C 13 33.642 0.072 . 1 . . . . 65 MET CG . 16977 1 760 . 1 1 65 65 MET N N 15 118.627 0.019 . 1 . . . . 65 MET N . 16977 1 761 . 1 1 66 66 ALA H H 1 7.411 0.005 . 1 . . . . 66 ALA HN . 16977 1 762 . 1 1 66 66 ALA HA H 1 4.221 0.004 . 1 . . . . 66 ALA HA . 16977 1 763 . 1 1 66 66 ALA HB1 H 1 1.524 0.004 . 1 . . . . 66 ALA HB1 . 16977 1 764 . 1 1 66 66 ALA HB2 H 1 1.524 0.004 . 1 . . . . 66 ALA HB1 . 16977 1 765 . 1 1 66 66 ALA HB3 H 1 1.524 0.004 . 1 . . . . 66 ALA HB1 . 16977 1 766 . 1 1 66 66 ALA C C 13 179.915 0.070 . 1 . . . . 66 ALA CO . 16977 1 767 . 1 1 66 66 ALA CA C 13 54.722 0.009 . 1 . . . . 66 ALA CA . 16977 1 768 . 1 1 66 66 ALA CB C 13 17.956 0.028 . 1 . . . . 66 ALA CB . 16977 1 769 . 1 1 66 66 ALA N N 15 120.547 0.033 . 1 . . . . 66 ALA N . 16977 1 770 . 1 1 67 67 LYS H H 1 7.504 0.003 . 1 . . . . 67 LYS HN . 16977 1 771 . 1 1 67 67 LYS HA H 1 4.330 0.003 . 1 . . . . 67 LYS HA . 16977 1 772 . 1 1 67 67 LYS HB2 H 1 2.066 0.006 . 2 . . . . 67 LYS HB2 . 16977 1 773 . 1 1 67 67 LYS HB3 H 1 1.992 0.006 . 2 . . . . 67 LYS HB3 . 16977 1 774 . 1 1 67 67 LYS HD2 H 1 1.680 0.003 . 2 . . . . 67 LYS HD2 . 16977 1 775 . 1 1 67 67 LYS HE2 H 1 2.953 0.003 . 2 . . . . 67 LYS HE2 . 16977 1 776 . 1 1 67 67 LYS HG2 H 1 1.766 0.002 . 2 . . . . 67 LYS HG2 . 16977 1 777 . 1 1 67 67 LYS HG3 H 1 1.561 0.001 . 2 . . . . 67 LYS HG3 . 16977 1 778 . 1 1 67 67 LYS C C 13 178.862 0.070 . 1 . . . . 67 LYS CO . 16977 1 779 . 1 1 67 67 LYS CA C 13 58.040 0.043 . 1 . . . . 67 LYS CA . 16977 1 780 . 1 1 67 67 LYS CB C 13 33.371 0.062 . 1 . . . . 67 LYS CB . 16977 1 781 . 1 1 67 67 LYS CD C 13 29.754 0.061 . 1 . . . . 67 LYS CD . 16977 1 782 . 1 1 67 67 LYS CE C 13 41.994 0.078 . 1 . . . . 67 LYS CE . 16977 1 783 . 1 1 67 67 LYS CG C 13 25.519 0.009 . 1 . . . . 67 LYS CG . 16977 1 784 . 1 1 67 67 LYS N N 15 117.275 0.016 . 1 . . . . 67 LYS N . 16977 1 785 . 1 1 68 68 LEU H H 1 7.880 0.003 . 1 . . . . 68 LEU HN . 16977 1 786 . 1 1 68 68 LEU HA H 1 3.979 0.004 . 1 . . . . 68 LEU HA . 16977 1 787 . 1 1 68 68 LEU HB2 H 1 1.764 0.003 . 2 . . . . 68 LEU HB2 . 16977 1 788 . 1 1 68 68 LEU HB3 H 1 1.661 0.005 . 2 . . . . 68 LEU HB3 . 16977 1 789 . 1 1 68 68 LEU HD11 H 1 0.904 0.003 . 2 . . . . 68 LEU HD11 . 16977 1 790 . 1 1 68 68 LEU HD12 H 1 0.824 0.003 . 2 . . . . 68 LEU HD12 . 16977 1 791 . 1 1 68 68 LEU HD13 H 1 0.824 0.003 . 2 . . . . 68 LEU HD12 . 16977 1 792 . 1 1 68 68 LEU HG H 1 1.755 0.003 . 1 . . . . 68 LEU HG . 16977 1 793 . 1 1 68 68 LEU C C 13 178.174 0.070 . 1 . . . . 68 LEU CO . 16977 1 794 . 1 1 68 68 LEU CA C 13 57.578 0.036 . 1 . . . . 68 LEU CA . 16977 1 795 . 1 1 68 68 LEU CB C 13 41.732 0.048 . 1 . . . . 68 LEU CB . 16977 1 796 . 1 1 68 68 LEU CD1 C 13 25.477 0.090 . 2 . . . . 68 LEU CD1 . 16977 1 797 . 1 1 68 68 LEU CD2 C 13 25.723 0.100 . 2 . . . . 68 LEU CD2 . 16977 1 798 . 1 1 68 68 LEU CG C 13 26.798 0.090 . 1 . . . . 68 LEU CG . 16977 1 799 . 1 1 68 68 LEU N N 15 120.156 0.022 . 1 . . . . 68 LEU N . 16977 1 800 . 1 1 69 69 ALA H H 1 7.499 0.002 . 1 . . . . 69 ALA HN . 16977 1 801 . 1 1 69 69 ALA HA H 1 4.065 0.004 . 1 . . . . 69 ALA HA . 16977 1 802 . 1 1 69 69 ALA HB1 H 1 1.445 0.003 . 1 . . . . 69 ALA HB1 . 16977 1 803 . 1 1 69 69 ALA HB2 H 1 1.445 0.003 . 1 . . . . 69 ALA HB1 . 16977 1 804 . 1 1 69 69 ALA HB3 H 1 1.445 0.003 . 1 . . . . 69 ALA HB1 . 16977 1 805 . 1 1 69 69 ALA C C 13 178.334 0.070 . 1 . . . . 69 ALA CO . 16977 1 806 . 1 1 69 69 ALA CA C 13 55.093 0.019 . 1 . . . . 69 ALA CA . 16977 1 807 . 1 1 69 69 ALA CB C 13 18.245 0.074 . 1 . . . . 69 ALA CB . 16977 1 808 . 1 1 69 69 ALA N N 15 119.762 0.023 . 1 . . . . 69 ALA N . 16977 1 809 . 1 1 70 70 ASP H H 1 7.357 0.002 . 1 . . . . 70 ASP HN . 16977 1 810 . 1 1 70 70 ASP HA H 1 4.865 0.006 . 1 . . . . 70 ASP HA . 16977 1 811 . 1 1 70 70 ASP HB2 H 1 2.951 0.006 . 2 . . . . 70 ASP HB2 . 16977 1 812 . 1 1 70 70 ASP HB3 H 1 2.538 0.009 . 2 . . . . 70 ASP HB3 . 16977 1 813 . 1 1 70 70 ASP C C 13 175.714 0.070 . 1 . . . . 70 ASP CO . 16977 1 814 . 1 1 70 70 ASP CA C 13 53.636 0.010 . 1 . . . . 70 ASP CA . 16977 1 815 . 1 1 70 70 ASP CB C 13 41.725 0.089 . 1 . . . . 70 ASP CB . 16977 1 816 . 1 1 70 70 ASP N N 15 114.445 0.035 . 1 . . . . 70 ASP N . 16977 1 817 . 1 1 71 71 PHE H H 1 7.557 0.002 . 1 . . . . 71 PHE HN . 16977 1 818 . 1 1 71 71 PHE HA H 1 4.494 0.005 . 1 . . . . 71 PHE HA . 16977 1 819 . 1 1 71 71 PHE HB2 H 1 3.325 0.003 . 2 . . . . 71 PHE HB2 . 16977 1 820 . 1 1 71 71 PHE HB3 H 1 2.995 0.003 . 2 . . . . 71 PHE HB3 . 16977 1 821 . 1 1 71 71 PHE HD1 H 1 7.191 0.006 . 3 . . . . 71 PHE HD1 . 16977 1 822 . 1 1 71 71 PHE HE1 H 1 6.941 0.003 . 3 . . . . 71 PHE HE1 . 16977 1 823 . 1 1 71 71 PHE C C 13 175.767 0.070 . 1 . . . . 71 PHE CO . 16977 1 824 . 1 1 71 71 PHE CA C 13 58.844 0.011 . 1 . . . . 71 PHE CA . 16977 1 825 . 1 1 71 71 PHE CB C 13 40.199 0.040 . 1 . . . . 71 PHE CB . 16977 1 826 . 1 1 71 71 PHE CD1 C 13 131.645 0.070 . 3 . . . . 71 PHE CD1 . 16977 1 827 . 1 1 71 71 PHE CE1 C 13 129.688 0.070 . 3 . . . . 71 PHE CE1 . 16977 1 828 . 1 1 71 71 PHE N N 15 122.394 0.025 . 1 . . . . 71 PHE N . 16977 1 829 . 1 1 72 72 ALA H H 1 8.588 0.003 . 1 . . . . 72 ALA HN . 16977 1 830 . 1 1 72 72 ALA HA H 1 3.480 0.004 . 1 . . . . 72 ALA HA . 16977 1 831 . 1 1 72 72 ALA HB1 H 1 0.978 0.002 . 1 . . . . 72 ALA HB1 . 16977 1 832 . 1 1 72 72 ALA HB2 H 1 0.978 0.002 . 1 . . . . 72 ALA HB1 . 16977 1 833 . 1 1 72 72 ALA HB3 H 1 0.978 0.002 . 1 . . . . 72 ALA HB1 . 16977 1 834 . 1 1 72 72 ALA C C 13 176.432 0.070 . 1 . . . . 72 ALA CO . 16977 1 835 . 1 1 72 72 ALA CA C 13 53.175 0.007 . 1 . . . . 72 ALA CA . 16977 1 836 . 1 1 72 72 ALA CB C 13 17.251 0.053 . 1 . . . . 72 ALA CB . 16977 1 837 . 1 1 72 72 ALA N N 15 125.048 0.042 . 1 . . . . 72 ALA N . 16977 1 838 . 1 1 73 73 VAL H H 1 7.305 0.001 . 1 . . . . 73 VAL HN . 16977 1 839 . 1 1 73 73 VAL HA H 1 3.896 0.003 . 1 . . . . 73 VAL HA . 16977 1 840 . 1 1 73 73 VAL HB H 1 2.052 0.002 . 1 . . . . 73 VAL HB . 16977 1 841 . 1 1 73 73 VAL HG11 H 1 0.920 0.005 . 2 . . . . 73 VAL HG11 . 16977 1 842 . 1 1 73 73 VAL HG12 H 1 0.920 0.005 . 2 . . . . 73 VAL HG11 . 16977 1 843 . 1 1 73 73 VAL HG13 H 1 0.920 0.005 . 2 . . . . 73 VAL HG11 . 16977 1 844 . 1 1 73 73 VAL C C 13 176.637 0.070 . 1 . . . . 73 VAL CO . 16977 1 845 . 1 1 73 73 VAL CA C 13 63.368 0.086 . 1 . . . . 73 VAL CA . 16977 1 846 . 1 1 73 73 VAL CB C 13 31.836 0.090 . 1 . . . . 73 VAL CB . 16977 1 847 . 1 1 73 73 VAL CG1 C 13 21.255 0.067 . 2 . . . . 73 VAL CG1 . 16977 1 848 . 1 1 73 73 VAL N N 15 119.051 0.023 . 1 . . . . 73 VAL N . 16977 1 849 . 1 1 74 74 GLU H H 1 8.612 0.003 . 1 . . . . 74 GLU HN . 16977 1 850 . 1 1 74 74 GLU HA H 1 4.280 0.002 . 1 . . . . 74 GLU HA . 16977 1 851 . 1 1 74 74 GLU HB2 H 1 1.978 0.002 . 2 . . . . 74 GLU HB2 . 16977 1 852 . 1 1 74 74 GLU HG2 H 1 2.321 0.008 . 2 . . . . 74 GLU HG2 . 16977 1 853 . 1 1 74 74 GLU C C 13 175.633 0.070 . 1 . . . . 74 GLU CO . 16977 1 854 . 1 1 74 74 GLU CA C 13 57.277 0.056 . 1 . . . . 74 GLU CA . 16977 1 855 . 1 1 74 74 GLU CB C 13 29.929 0.073 . 1 . . . . 74 GLU CB . 16977 1 856 . 1 1 74 74 GLU CG C 13 35.883 0.010 . 1 . . . . 74 GLU CG . 16977 1 857 . 1 1 74 74 GLU N N 15 128.291 0.018 . 1 . . . . 74 GLU N . 16977 1 858 . 1 1 75 75 GLN H H 1 8.293 0.002 . 1 . . . . 75 GLN HN . 16977 1 859 . 1 1 75 75 GLN HA H 1 4.653 0.004 . 1 . . . . 75 GLN HA . 16977 1 860 . 1 1 75 75 GLN HB2 H 1 2.163 0.012 . 2 . . . . 75 GLN HB2 . 16977 1 861 . 1 1 75 75 GLN HB3 H 1 1.995 0.005 . 2 . . . . 75 GLN HB3 . 16977 1 862 . 1 1 75 75 GLN HE21 H 1 7.551 0.003 . 2 . . . . 75 GLN HE21 . 16977 1 863 . 1 1 75 75 GLN HE22 H 1 6.949 0.003 . 2 . . . . 75 GLN HE22 . 16977 1 864 . 1 1 75 75 GLN HG2 H 1 2.358 0.070 . 2 . . . . 75 GLN HG2 . 16977 1 865 . 1 1 75 75 GLN HG3 H 1 2.305 0.070 . 2 . . . . 75 GLN HG3 . 16977 1 866 . 1 1 75 75 GLN C C 13 174.542 0.070 . 1 . . . . 75 GLN CO . 16977 1 867 . 1 1 75 75 GLN CA C 13 54.563 0.010 . 1 . . . . 75 GLN CA . 16977 1 868 . 1 1 75 75 GLN CB C 13 31.998 0.052 . 1 . . . . 75 GLN CB . 16977 1 869 . 1 1 75 75 GLN CG C 13 33.419 0.013 . 1 . . . . 75 GLN CG . 16977 1 870 . 1 1 75 75 GLN N N 15 123.495 0.017 . 1 . . . . 75 GLN N . 16977 1 871 . 1 1 75 75 GLN NE2 N 15 112.092 0.040 . 1 . . . . 75 GLN NE2 . 16977 1 872 . 1 1 76 76 GLU H H 1 8.477 0.005 . 1 . . . . 76 GLU HN . 16977 1 873 . 1 1 76 76 GLU HA H 1 4.230 0.004 . 1 . . . . 76 GLU HA . 16977 1 874 . 1 1 76 76 GLU HB2 H 1 1.932 0.004 . 2 . . . . 76 GLU HB2 . 16977 1 875 . 1 1 76 76 GLU HG2 H 1 2.232 0.005 . 2 . . . . 76 GLU HG2 . 16977 1 876 . 1 1 76 76 GLU HG3 H 1 2.195 0.070 . 2 . . . . 76 GLU HG3 . 16977 1 877 . 1 1 76 76 GLU C C 13 175.796 0.070 . 1 . . . . 76 GLU CO . 16977 1 878 . 1 1 76 76 GLU CA C 13 57.157 0.015 . 1 . . . . 76 GLU CA . 16977 1 879 . 1 1 76 76 GLU CB C 13 30.073 0.031 . 1 . . . . 76 GLU CB . 16977 1 880 . 1 1 76 76 GLU N N 15 120.713 0.036 . 1 . . . . 76 GLU N . 16977 1 881 . 1 1 77 77 VAL H H 1 8.225 0.004 . 1 . . . . 77 VAL HN . 16977 1 882 . 1 1 77 77 VAL HA H 1 4.550 0.004 . 1 . . . . 77 VAL HA . 16977 1 883 . 1 1 77 77 VAL HB H 1 1.905 0.006 . 1 . . . . 77 VAL HB . 16977 1 884 . 1 1 77 77 VAL HG11 H 1 0.844 0.004 . 2 . . . . 77 VAL HG11 . 16977 1 885 . 1 1 77 77 VAL HG12 H 1 0.844 0.004 . 2 . . . . 77 VAL HG11 . 16977 1 886 . 1 1 77 77 VAL HG13 H 1 0.844 0.004 . 2 . . . . 77 VAL HG11 . 16977 1 887 . 1 1 77 77 VAL HG21 H 1 0.738 0.006 . 2 . . . . 77 VAL HG21 . 16977 1 888 . 1 1 77 77 VAL HG22 H 1 0.738 0.006 . 2 . . . . 77 VAL HG21 . 16977 1 889 . 1 1 77 77 VAL HG23 H 1 0.738 0.006 . 2 . . . . 77 VAL HG21 . 16977 1 890 . 1 1 77 77 VAL C C 13 174.706 0.070 . 1 . . . . 77 VAL CO . 16977 1 891 . 1 1 77 77 VAL CA C 13 61.021 0.033 . 1 . . . . 77 VAL CA . 16977 1 892 . 1 1 77 77 VAL CB C 13 34.509 0.071 . 1 . . . . 77 VAL CB . 16977 1 893 . 1 1 77 77 VAL CG1 C 13 22.231 0.070 . 2 . . . . 77 VAL CG1 . 16977 1 894 . 1 1 77 77 VAL CG2 C 13 23.125 0.050 . 2 . . . . 77 VAL CG2 . 16977 1 895 . 1 1 77 77 VAL N N 15 124.292 0.033 . 1 . . . . 77 VAL N . 16977 1 896 . 1 1 78 78 THR H H 1 9.358 0.003 . 1 . . . . 78 THR HN . 16977 1 897 . 1 1 78 78 THR HA H 1 4.562 0.006 . 1 . . . . 78 THR HA . 16977 1 898 . 1 1 78 78 THR HB H 1 4.112 0.003 . 1 . . . . 78 THR HB . 16977 1 899 . 1 1 78 78 THR HG21 H 1 1.141 0.003 . 1 . . . . 78 THR HG21 . 16977 1 900 . 1 1 78 78 THR HG22 H 1 1.141 0.003 . 1 . . . . 78 THR HG21 . 16977 1 901 . 1 1 78 78 THR HG23 H 1 1.141 0.003 . 1 . . . . 78 THR HG21 . 16977 1 902 . 1 1 78 78 THR C C 13 173.002 0.070 . 1 . . . . 78 THR CO . 16977 1 903 . 1 1 78 78 THR CA C 13 59.120 0.001 . 1 . . . . 78 THR CA . 16977 1 904 . 1 1 78 78 THR CB C 13 72.014 0.079 . 1 . . . . 78 THR CB . 16977 1 905 . 1 1 78 78 THR CG2 C 13 20.228 0.033 . 1 . . . . 78 THR CG2 . 16977 1 906 . 1 1 78 78 THR N N 15 120.358 0.017 . 1 . . . . 78 THR N . 16977 1 907 . 1 1 79 79 ALA H H 1 8.192 0.004 . 1 . . . . 79 ALA HN . 16977 1 908 . 1 1 79 79 ALA HA H 1 3.804 0.004 . 1 . . . . 79 ALA HA . 16977 1 909 . 1 1 79 79 ALA HB1 H 1 1.347 0.005 . 1 . . . . 79 ALA HB1 . 16977 1 910 . 1 1 79 79 ALA HB2 H 1 1.347 0.005 . 1 . . . . 79 ALA HB1 . 16977 1 911 . 1 1 79 79 ALA HB3 H 1 1.347 0.005 . 1 . . . . 79 ALA HB1 . 16977 1 912 . 1 1 79 79 ALA C C 13 178.347 0.070 . 1 . . . . 79 ALA CO . 16977 1 913 . 1 1 79 79 ALA CA C 13 53.790 0.053 . 1 . . . . 79 ALA CA . 16977 1 914 . 1 1 79 79 ALA CB C 13 17.953 0.021 . 1 . . . . 79 ALA CB . 16977 1 915 . 1 1 79 79 ALA N N 15 122.449 0.015 . 1 . . . . 79 ALA N . 16977 1 916 . 1 1 80 80 GLY H H 1 8.800 0.004 . 1 . . . . 80 GLY HN . 16977 1 917 . 1 1 80 80 GLY HA2 H 1 4.504 0.009 . 2 . . . . 80 GLY HA2 . 16977 1 918 . 1 1 80 80 GLY HA3 H 1 3.788 0.010 . 2 . . . . 80 GLY HA3 . 16977 1 919 . 1 1 80 80 GLY C C 13 175.416 0.070 . 1 . . . . 80 GLY CO . 16977 1 920 . 1 1 80 80 GLY CA C 13 45.054 0.040 . 1 . . . . 80 GLY CA . 16977 1 921 . 1 1 80 80 GLY N N 15 112.689 0.042 . 1 . . . . 80 GLY N . 16977 1 922 . 1 1 81 81 ASP H H 1 7.810 0.004 . 1 . . . . 81 ASP HN . 16977 1 923 . 1 1 81 81 ASP HA H 1 4.864 0.004 . 1 . . . . 81 ASP HA . 16977 1 924 . 1 1 81 81 ASP HB2 H 1 2.998 0.007 . 2 . . . . 81 ASP HB2 . 16977 1 925 . 1 1 81 81 ASP HB3 H 1 2.550 0.007 . 2 . . . . 81 ASP HB3 . 16977 1 926 . 1 1 81 81 ASP C C 13 173.702 0.070 . 1 . . . . 81 ASP CO . 16977 1 927 . 1 1 81 81 ASP CA C 13 54.772 0.070 . 1 . . . . 81 ASP CA . 16977 1 928 . 1 1 81 81 ASP CB C 13 42.895 0.059 . 1 . . . . 81 ASP CB . 16977 1 929 . 1 1 81 81 ASP N N 15 120.899 0.040 . 1 . . . . 81 ASP N . 16977 1 930 . 1 1 82 82 ARG H H 1 8.195 0.005 . 1 . . . . 82 ARG HN . 16977 1 931 . 1 1 82 82 ARG HA H 1 5.444 0.004 . 1 . . . . 82 ARG HA . 16977 1 932 . 1 1 82 82 ARG HB2 H 1 1.733 0.007 . 2 . . . . 82 ARG HB2 . 16977 1 933 . 1 1 82 82 ARG HD2 H 1 3.012 0.006 . 2 . . . . 82 ARG HD2 . 16977 1 934 . 1 1 82 82 ARG HD3 H 1 2.813 0.002 . 2 . . . . 82 ARG HD3 . 16977 1 935 . 1 1 82 82 ARG HG2 H 1 1.670 0.070 . 2 . . . . 82 ARG HG2 . 16977 1 936 . 1 1 82 82 ARG C C 13 175.646 0.070 . 1 . . . . 82 ARG CO . 16977 1 937 . 1 1 82 82 ARG CA C 13 55.142 0.034 . 1 . . . . 82 ARG CA . 16977 1 938 . 1 1 82 82 ARG CB C 13 34.980 0.049 . 1 . . . . 82 ARG CB . 16977 1 939 . 1 1 82 82 ARG CD C 13 43.898 0.011 . 1 . . . . 82 ARG CD . 16977 1 940 . 1 1 82 82 ARG CG C 13 28.519 0.070 . 1 . . . . 82 ARG CG . 16977 1 941 . 1 1 82 82 ARG N N 15 115.511 0.031 . 1 . . . . 82 ARG N . 16977 1 942 . 1 1 83 83 VAL H H 1 8.468 0.005 . 1 . . . . 83 VAL HN . 16977 1 943 . 1 1 83 83 VAL HA H 1 4.454 0.003 . 1 . . . . 83 VAL HA . 16977 1 944 . 1 1 83 83 VAL HB H 1 1.220 0.003 . 1 . . . . 83 VAL HB . 16977 1 945 . 1 1 83 83 VAL HG11 H 1 0.457 0.006 . 2 . . . . 83 VAL HG11 . 16977 1 946 . 1 1 83 83 VAL HG12 H 1 0.457 0.006 . 2 . . . . 83 VAL HG11 . 16977 1 947 . 1 1 83 83 VAL HG13 H 1 0.457 0.006 . 2 . . . . 83 VAL HG11 . 16977 1 948 . 1 1 83 83 VAL HG21 H 1 0.347 0.005 . 2 . . . . 83 VAL HG21 . 16977 1 949 . 1 1 83 83 VAL HG22 H 1 0.347 0.005 . 2 . . . . 83 VAL HG21 . 16977 1 950 . 1 1 83 83 VAL HG23 H 1 0.347 0.005 . 2 . . . . 83 VAL HG21 . 16977 1 951 . 1 1 83 83 VAL C C 13 173.871 0.070 . 1 . . . . 83 VAL CO . 16977 1 952 . 1 1 83 83 VAL CA C 13 60.195 0.018 . 1 . . . . 83 VAL CA . 16977 1 953 . 1 1 83 83 VAL CB C 13 37.602 0.037 . 1 . . . . 83 VAL CB . 16977 1 954 . 1 1 83 83 VAL CG1 C 13 20.382 0.070 . 2 . . . . 83 VAL CG1 . 16977 1 955 . 1 1 83 83 VAL CG2 C 13 22.669 0.055 . 2 . . . . 83 VAL CG2 . 16977 1 956 . 1 1 83 83 VAL N N 15 120.001 0.036 . 1 . . . . 83 VAL N . 16977 1 957 . 1 1 84 84 VAL H H 1 8.469 0.002 . 1 . . . . 84 VAL HN . 16977 1 958 . 1 1 84 84 VAL HA H 1 5.258 0.003 . 1 . . . . 84 VAL HA . 16977 1 959 . 1 1 84 84 VAL HB H 1 2.539 0.004 . 1 . . . . 84 VAL HB . 16977 1 960 . 1 1 84 84 VAL HG11 H 1 1.170 0.003 . 2 . . . . 84 VAL HG11 . 16977 1 961 . 1 1 84 84 VAL HG12 H 1 1.170 0.003 . 2 . . . . 84 VAL HG11 . 16977 1 962 . 1 1 84 84 VAL HG13 H 1 1.170 0.003 . 2 . . . . 84 VAL HG11 . 16977 1 963 . 1 1 84 84 VAL HG21 H 1 0.947 0.004 . 2 . . . . 84 VAL HG21 . 16977 1 964 . 1 1 84 84 VAL HG22 H 1 0.947 0.004 . 2 . . . . 84 VAL HG21 . 16977 1 965 . 1 1 84 84 VAL HG23 H 1 0.947 0.004 . 2 . . . . 84 VAL HG21 . 16977 1 966 . 1 1 84 84 VAL C C 13 172.589 0.070 . 1 . . . . 84 VAL CO . 16977 1 967 . 1 1 84 84 VAL CA C 13 58.654 0.034 . 1 . . . . 84 VAL CA . 16977 1 968 . 1 1 84 84 VAL CB C 13 33.294 0.067 . 1 . . . . 84 VAL CB . 16977 1 969 . 1 1 84 84 VAL CG1 C 13 20.776 0.027 . 2 . . . . 84 VAL CG1 . 16977 1 970 . 1 1 84 84 VAL CG2 C 13 23.628 0.024 . 2 . . . . 84 VAL CG2 . 16977 1 971 . 1 1 84 84 VAL N N 15 124.454 0.020 . 1 . . . . 84 VAL N . 16977 1 972 . 1 1 85 85 VAL H H 1 9.187 0.003 . 1 . . . . 85 VAL HN . 16977 1 973 . 1 1 85 85 VAL HA H 1 4.795 0.004 . 1 . . . . 85 VAL HA . 16977 1 974 . 1 1 85 85 VAL HB H 1 1.807 0.006 . 1 . . . . 85 VAL HB . 16977 1 975 . 1 1 85 85 VAL HG11 H 1 0.784 0.003 . 2 . . . . 85 VAL HG11 . 16977 1 976 . 1 1 85 85 VAL HG12 H 1 0.784 0.003 . 2 . . . . 85 VAL HG11 . 16977 1 977 . 1 1 85 85 VAL HG13 H 1 0.784 0.003 . 2 . . . . 85 VAL HG11 . 16977 1 978 . 1 1 85 85 VAL HG21 H 1 0.683 0.002 . 2 . . . . 85 VAL HG21 . 16977 1 979 . 1 1 85 85 VAL HG22 H 1 0.683 0.002 . 2 . . . . 85 VAL HG21 . 16977 1 980 . 1 1 85 85 VAL HG23 H 1 0.683 0.002 . 2 . . . . 85 VAL HG21 . 16977 1 981 . 1 1 85 85 VAL C C 13 174.230 0.070 . 1 . . . . 85 VAL CO . 16977 1 982 . 1 1 85 85 VAL CA C 13 60.575 0.031 . 1 . . . . 85 VAL CA . 16977 1 983 . 1 1 85 85 VAL CB C 13 32.132 0.044 . 1 . . . . 85 VAL CB . 16977 1 984 . 1 1 85 85 VAL CG1 C 13 22.596 0.070 . 2 . . . . 85 VAL CG1 . 16977 1 985 . 1 1 85 85 VAL N N 15 128.830 0.012 . 1 . . . . 85 VAL N . 16977 1 986 . 1 1 86 86 ILE H H 1 8.768 0.008 . 1 . . . . 86 ILE HN . 16977 1 987 . 1 1 86 86 ILE HA H 1 4.142 0.003 . 1 . . . . 86 ILE HA . 16977 1 988 . 1 1 86 86 ILE HB H 1 1.686 0.002 . 1 . . . . 86 ILE HB . 16977 1 989 . 1 1 86 86 ILE HD11 H 1 0.443 0.004 . 1 . . . . 86 ILE HD11 . 16977 1 990 . 1 1 86 86 ILE HD12 H 1 0.443 0.004 . 1 . . . . 86 ILE HD11 . 16977 1 991 . 1 1 86 86 ILE HD13 H 1 0.443 0.004 . 1 . . . . 86 ILE HD11 . 16977 1 992 . 1 1 86 86 ILE HG12 H 1 1.069 0.001 . 2 . . . . 86 ILE HG12 . 16977 1 993 . 1 1 86 86 ILE HG13 H 1 0.752 0.001 . 2 . . . . 86 ILE HG13 . 16977 1 994 . 1 1 86 86 ILE HG21 H 1 0.588 0.003 . 1 . . . . 86 ILE HG21 . 16977 1 995 . 1 1 86 86 ILE HG22 H 1 0.588 0.003 . 1 . . . . 86 ILE HG21 . 16977 1 996 . 1 1 86 86 ILE HG23 H 1 0.588 0.003 . 1 . . . . 86 ILE HG21 . 16977 1 997 . 1 1 86 86 ILE C C 13 174.230 0.070 . 1 . . . . 86 ILE CO . 16977 1 998 . 1 1 86 86 ILE CA C 13 64.119 0.045 . 1 . . . . 86 ILE CA . 16977 1 999 . 1 1 86 86 ILE CB C 13 38.010 0.022 . 1 . . . . 86 ILE CB . 16977 1 1000 . 1 1 86 86 ILE CD1 C 13 13.520 0.030 . 1 . . . . 86 ILE CD1 . 16977 1 1001 . 1 1 86 86 ILE CG1 C 13 26.617 0.070 . 1 . . . . 86 ILE CG1 . 16977 1 1002 . 1 1 86 86 ILE CG2 C 13 18.849 0.044 . 1 . . . . 86 ILE CG2 . 16977 1 1003 . 1 1 86 86 ILE N N 15 118.572 0.070 . 1 . . . . 86 ILE N . 16977 1 1004 . 1 1 87 87 ASP H H 1 8.472 0.001 . 1 . . . . 87 ASP HN . 16977 1 1005 . 1 1 87 87 ASP HA H 1 4.790 0.004 . 1 . . . . 87 ASP HA . 16977 1 1006 . 1 1 87 87 ASP C C 13 177.494 0.070 . 1 . . . . 87 ASP CO . 16977 1 1007 . 1 1 87 87 ASP N N 15 118.579 0.036 . 1 . . . . 87 ASP N . 16977 1 1008 . 1 1 88 88 GLY H H 1 7.373 0.001 . 1 . . . . 88 GLY HN . 16977 1 1009 . 1 1 88 88 GLY HA2 H 1 3.895 0.008 . 2 . . . . 88 GLY HA2 . 16977 1 1010 . 1 1 88 88 GLY HA3 H 1 3.803 0.001 . 2 . . . . 88 GLY HA3 . 16977 1 1011 . 1 1 88 88 GLY C C 13 171.052 0.070 . 1 . . . . 88 GLY CO . 16977 1 1012 . 1 1 88 88 GLY CA C 13 44.263 0.029 . 1 . . . . 88 GLY CA . 16977 1 1013 . 1 1 88 88 GLY N N 15 108.125 0.026 . 1 . . . . 88 GLY N . 16977 1 1014 . 1 1 89 89 LEU H H 1 8.251 0.002 . 1 . . . . 89 LEU HN . 16977 1 1015 . 1 1 89 89 LEU HA H 1 4.547 0.003 . 1 . . . . 89 LEU HA . 16977 1 1016 . 1 1 89 89 LEU HB2 H 1 1.627 0.004 . 2 . . . . 89 LEU HB2 . 16977 1 1017 . 1 1 89 89 LEU HB3 H 1 1.089 0.002 . 2 . . . . 89 LEU HB3 . 16977 1 1018 . 1 1 89 89 LEU HD11 H 1 1.085 0.002 . 2 . . . . 89 LEU HD11 . 16977 1 1019 . 1 1 89 89 LEU HD12 H 1 1.085 0.002 . 2 . . . . 89 LEU HD11 . 16977 1 1020 . 1 1 89 89 LEU HD13 H 1 1.085 0.002 . 2 . . . . 89 LEU HD11 . 16977 1 1021 . 1 1 89 89 LEU HD21 H 1 0.940 0.008 . 2 . . . . 89 LEU HD21 . 16977 1 1022 . 1 1 89 89 LEU HD22 H 1 0.940 0.008 . 2 . . . . 89 LEU HD21 . 16977 1 1023 . 1 1 89 89 LEU HD23 H 1 0.940 0.008 . 2 . . . . 89 LEU HD21 . 16977 1 1024 . 1 1 89 89 LEU HG H 1 1.784 0.006 . 1 . . . . 89 LEU HG . 16977 1 1025 . 1 1 89 89 LEU C C 13 175.603 0.070 . 1 . . . . 89 LEU CO . 16977 1 1026 . 1 1 89 89 LEU CA C 13 54.620 0.042 . 1 . . . . 89 LEU CA . 16977 1 1027 . 1 1 89 89 LEU CB C 13 46.283 0.083 . 1 . . . . 89 LEU CB . 16977 1 1028 . 1 1 89 89 LEU CD1 C 13 24.010 0.057 . 2 . . . . 89 LEU CD1 . 16977 1 1029 . 1 1 89 89 LEU CD2 C 13 27.797 0.065 . 2 . . . . 89 LEU CD2 . 16977 1 1030 . 1 1 89 89 LEU CG C 13 28.014 0.183 . 1 . . . . 89 LEU CG . 16977 1 1031 . 1 1 89 89 LEU N N 15 119.831 0.018 . 1 . . . . 89 LEU N . 16977 1 1032 . 1 1 90 90 ASP H H 1 8.588 0.004 . 1 . . . . 90 ASP HN . 16977 1 1033 . 1 1 90 90 ASP HA H 1 4.641 0.070 . 1 . . . . 90 ASP HA . 16977 1 1034 . 1 1 90 90 ASP HB2 H 1 2.644 0.004 . 2 . . . . 90 ASP HB2 . 16977 1 1035 . 1 1 90 90 ASP HB3 H 1 2.590 0.003 . 2 . . . . 90 ASP HB3 . 16977 1 1036 . 1 1 90 90 ASP C C 13 174.909 0.070 . 1 . . . . 90 ASP CO . 16977 1 1037 . 1 1 90 90 ASP CA C 13 54.689 0.009 . 1 . . . . 90 ASP CA . 16977 1 1038 . 1 1 90 90 ASP CB C 13 42.132 0.021 . 1 . . . . 90 ASP CB . 16977 1 1039 . 1 1 90 90 ASP N N 15 124.000 0.037 . 1 . . . . 90 ASP N . 16977 1 1040 . 1 1 91 91 ARG H H 1 7.399 0.002 . 1 . . . . 91 ARG HN . 16977 1 1041 . 1 1 91 91 ARG HA H 1 4.580 0.004 . 1 . . . . 91 ARG HA . 16977 1 1042 . 1 1 91 91 ARG HB2 H 1 1.894 0.037 . 2 . . . . 91 ARG HB2 . 16977 1 1043 . 1 1 91 91 ARG HB3 H 1 1.778 0.004 . 2 . . . . 91 ARG HB3 . 16977 1 1044 . 1 1 91 91 ARG HD2 H 1 3.197 0.005 . 2 . . . . 91 ARG HD2 . 16977 1 1045 . 1 1 91 91 ARG HG2 H 1 1.555 0.002 . 2 . . . . 91 ARG HG2 . 16977 1 1046 . 1 1 91 91 ARG HG3 H 1 1.458 0.004 . 2 . . . . 91 ARG HG3 . 16977 1 1047 . 1 1 91 91 ARG C C 13 173.087 0.070 . 1 . . . . 91 ARG CO . 16977 1 1048 . 1 1 91 91 ARG CA C 13 53.959 0.039 . 1 . . . . 91 ARG CA . 16977 1 1049 . 1 1 91 91 ARG CB C 13 32.728 0.060 . 1 . . . . 91 ARG CB . 16977 1 1050 . 1 1 91 91 ARG CD C 13 43.370 0.084 . 1 . . . . 91 ARG CD . 16977 1 1051 . 1 1 91 91 ARG CG C 13 25.677 0.002 . 1 . . . . 91 ARG CG . 16977 1 1052 . 1 1 91 91 ARG N N 15 116.006 0.024 . 1 . . . . 91 ARG N . 16977 1 1053 . 1 1 92 92 MET H H 1 8.203 0.003 . 1 . . . . 92 MET HN . 16977 1 1054 . 1 1 92 92 MET HA H 1 4.846 0.005 . 1 . . . . 92 MET HA . 16977 1 1055 . 1 1 92 92 MET HB2 H 1 2.056 0.004 . 2 . . . . 92 MET HB2 . 16977 1 1056 . 1 1 92 92 MET HB3 H 1 1.933 0.006 . 2 . . . . 92 MET HB3 . 16977 1 1057 . 1 1 92 92 MET HE1 H 1 2.058 0.003 . 1 . . . . 92 MET HE . 16977 1 1058 . 1 1 92 92 MET HE2 H 1 2.058 0.003 . 1 . . . . 92 MET HE . 16977 1 1059 . 1 1 92 92 MET HE3 H 1 2.058 0.003 . 1 . . . . 92 MET HE . 16977 1 1060 . 1 1 92 92 MET HG2 H 1 2.563 0.004 . 2 . . . . 92 MET HG2 . 16977 1 1061 . 1 1 92 92 MET HG3 H 1 2.489 0.006 . 2 . . . . 92 MET HG3 . 16977 1 1062 . 1 1 92 92 MET C C 13 175.928 0.070 . 1 . . . . 92 MET CO . 16977 1 1063 . 1 1 92 92 MET CA C 13 56.612 0.033 . 1 . . . . 92 MET CA . 16977 1 1064 . 1 1 92 92 MET CB C 13 33.818 0.071 . 1 . . . . 92 MET CB . 16977 1 1065 . 1 1 92 92 MET CE C 13 16.788 0.061 . 1 . . . . 92 MET CE . 16977 1 1066 . 1 1 92 92 MET CG C 13 31.540 0.044 . 1 . . . . 92 MET CG . 16977 1 1067 . 1 1 92 92 MET N N 15 117.511 0.042 . 1 . . . . 92 MET N . 16977 1 1068 . 1 1 93 93 ALA H H 1 8.121 0.003 . 1 . . . . 93 ALA HN . 16977 1 1069 . 1 1 93 93 ALA HA H 1 4.803 0.008 . 1 . . . . 93 ALA HA . 16977 1 1070 . 1 1 93 93 ALA HB1 H 1 1.393 0.003 . 1 . . . . 93 ALA HB1 . 16977 1 1071 . 1 1 93 93 ALA HB2 H 1 1.393 0.003 . 1 . . . . 93 ALA HB1 . 16977 1 1072 . 1 1 93 93 ALA HB3 H 1 1.393 0.003 . 1 . . . . 93 ALA HB1 . 16977 1 1073 . 1 1 93 93 ALA C C 13 175.822 0.070 . 1 . . . . 93 ALA CO . 16977 1 1074 . 1 1 93 93 ALA CA C 13 51.161 0.004 . 1 . . . . 93 ALA CA . 16977 1 1075 . 1 1 93 93 ALA CB C 13 24.030 0.054 . 1 . . . . 93 ALA CB . 16977 1 1076 . 1 1 93 93 ALA N N 15 124.613 0.033 . 1 . . . . 93 ALA N . 16977 1 1077 . 1 1 94 94 HIS H H 1 8.973 0.018 . 1 . . . . 94 HIS HN . 16977 1 1078 . 1 1 94 94 HIS HA H 1 4.284 0.003 . 1 . . . . 94 HIS HA . 16977 1 1079 . 1 1 94 94 HIS HB2 H 1 3.126 0.006 . 2 . . . . 94 HIS HB2 . 16977 1 1080 . 1 1 94 94 HIS HB3 H 1 3.021 0.005 . 2 . . . . 94 HIS HB3 . 16977 1 1081 . 1 1 94 94 HIS HD2 H 1 7.018 0.003 . 1 . . . . 94 HIS HD2 . 16977 1 1082 . 1 1 94 94 HIS HE1 H 1 7.883 0.070 . 1 . . . . 94 HIS HE1 . 16977 1 1083 . 1 1 94 94 HIS C C 13 173.689 0.070 . 1 . . . . 94 HIS CO . 16977 1 1084 . 1 1 94 94 HIS CA C 13 59.698 0.038 . 1 . . . . 94 HIS CA . 16977 1 1085 . 1 1 94 94 HIS CB C 13 30.317 0.104 . 1 . . . . 94 HIS CB . 16977 1 1086 . 1 1 94 94 HIS CD2 C 13 119.909 0.090 . 1 . . . . 94 HIS CD2 . 16977 1 1087 . 1 1 94 94 HIS CE1 C 13 137.585 0.070 . 1 . . . . 94 HIS CE1 . 16977 1 1088 . 1 1 94 94 HIS N N 15 121.334 0.025 . 1 . . . . 94 HIS N . 16977 1 1089 . 1 1 95 95 PHE H H 1 8.537 0.005 . 1 . . . . 95 PHE HN . 16977 1 1090 . 1 1 95 95 PHE HA H 1 4.675 0.003 . 1 . . . . 95 PHE HA . 16977 1 1091 . 1 1 95 95 PHE HB2 H 1 2.896 0.003 . 2 . . . . 95 PHE HB2 . 16977 1 1092 . 1 1 95 95 PHE HB3 H 1 2.537 0.007 . 2 . . . . 95 PHE HB3 . 16977 1 1093 . 1 1 95 95 PHE HD1 H 1 6.978 0.007 . 3 . . . . 95 PHE HD1 . 16977 1 1094 . 1 1 95 95 PHE HE1 H 1 7.137 0.008 . 3 . . . . 95 PHE HE1 . 16977 1 1095 . 1 1 95 95 PHE C C 13 173.009 0.070 . 1 . . . . 95 PHE CO . 16977 1 1096 . 1 1 95 95 PHE CA C 13 57.421 0.070 . 1 . . . . 95 PHE CA . 16977 1 1097 . 1 1 95 95 PHE CB C 13 41.483 0.055 . 1 . . . . 95 PHE CB . 16977 1 1098 . 1 1 95 95 PHE CD1 C 13 131.147 0.013 . 3 . . . . 95 PHE CD1 . 16977 1 1099 . 1 1 95 95 PHE CE1 C 13 131.144 0.070 . 3 . . . . 95 PHE CE1 . 16977 1 1100 . 1 1 95 95 PHE N N 15 125.462 0.034 . 1 . . . . 95 PHE N . 16977 1 1101 . 1 1 96 96 LYS H H 1 7.291 0.005 . 1 . . . . 96 LYS HN . 16977 1 1102 . 1 1 96 96 LYS HA H 1 4.190 0.002 . 1 . . . . 96 LYS HA . 16977 1 1103 . 1 1 96 96 LYS HB2 H 1 1.566 0.003 . 2 . . . . 96 LYS HB2 . 16977 1 1104 . 1 1 96 96 LYS HB3 H 1 1.410 0.005 . 2 . . . . 96 LYS HB3 . 16977 1 1105 . 1 1 96 96 LYS HD2 H 1 1.368 0.008 . 2 . . . . 96 LYS HD2 . 16977 1 1106 . 1 1 96 96 LYS HD3 H 1 1.354 0.070 . 2 . . . . 96 LYS HD3 . 16977 1 1107 . 1 1 96 96 LYS HE2 H 1 2.788 0.004 . 2 . . . . 96 LYS HE2 . 16977 1 1108 . 1 1 96 96 LYS HG2 H 1 1.029 0.004 . 2 . . . . 96 LYS HG2 . 16977 1 1109 . 1 1 96 96 LYS HG3 H 1 0.867 0.002 . 2 . . . . 96 LYS HG3 . 16977 1 1110 . 1 1 96 96 LYS C C 13 174.351 0.070 . 1 . . . . 96 LYS CO . 16977 1 1111 . 1 1 96 96 LYS CA C 13 55.415 0.037 . 1 . . . . 96 LYS CA . 16977 1 1112 . 1 1 96 96 LYS CB C 13 34.658 0.076 . 1 . . . . 96 LYS CB . 16977 1 1113 . 1 1 96 96 LYS CD C 13 29.548 0.029 . 1 . . . . 96 LYS CD . 16977 1 1114 . 1 1 96 96 LYS CE C 13 42.090 0.051 . 1 . . . . 96 LYS CE . 16977 1 1115 . 1 1 96 96 LYS CG C 13 23.818 0.026 . 1 . . . . 96 LYS CG . 16977 1 1116 . 1 1 96 96 LYS N N 15 114.056 0.046 . 1 . . . . 96 LYS N . 16977 1 1117 . 1 1 97 97 ASP H H 1 9.123 0.003 . 1 . . . . 97 ASP HN . 16977 1 1118 . 1 1 97 97 ASP HA H 1 4.244 0.001 . 1 . . . . 97 ASP HA . 16977 1 1119 . 1 1 97 97 ASP HB2 H 1 2.786 0.003 . 2 . . . . 97 ASP HB2 . 16977 1 1120 . 1 1 97 97 ASP C C 13 175.095 0.070 . 1 . . . . 97 ASP CO . 16977 1 1121 . 1 1 97 97 ASP CA C 13 57.162 0.007 . 1 . . . . 97 ASP CA . 16977 1 1122 . 1 1 97 97 ASP CB C 13 39.134 0.069 . 1 . . . . 97 ASP CB . 16977 1 1123 . 1 1 97 97 ASP N N 15 121.281 0.039 . 1 . . . . 97 ASP N . 16977 1 1124 . 1 1 98 98 ASP H H 1 8.729 0.003 . 1 . . . . 98 ASP HN . 16977 1 1125 . 1 1 98 98 ASP HA H 1 4.895 0.005 . 1 . . . . 98 ASP HA . 16977 1 1126 . 1 1 98 98 ASP HB2 H 1 3.186 0.002 . 2 . . . . 98 ASP HB2 . 16977 1 1127 . 1 1 98 98 ASP HB3 H 1 2.611 0.005 . 2 . . . . 98 ASP HB3 . 16977 1 1128 . 1 1 98 98 ASP C C 13 174.514 0.070 . 1 . . . . 98 ASP CO . 16977 1 1129 . 1 1 98 98 ASP CA C 13 53.153 0.070 . 1 . . . . 98 ASP CA . 16977 1 1130 . 1 1 98 98 ASP CB C 13 39.814 0.065 . 1 . . . . 98 ASP CB . 16977 1 1131 . 1 1 98 98 ASP N N 15 120.907 0.051 . 1 . . . . 98 ASP N . 16977 1 1132 . 1 1 99 99 LEU H H 1 8.366 0.007 . 1 . . . . 99 LEU HN . 16977 1 1133 . 1 1 99 99 LEU HA H 1 5.269 0.004 . 1 . . . . 99 LEU HA . 16977 1 1134 . 1 1 99 99 LEU HB2 H 1 2.132 0.007 . 2 . . . . 99 LEU HB2 . 16977 1 1135 . 1 1 99 99 LEU HB3 H 1 1.207 0.003 . 2 . . . . 99 LEU HB3 . 16977 1 1136 . 1 1 99 99 LEU HD11 H 1 0.853 0.005 . 2 . . . . 99 LEU HD11 . 16977 1 1137 . 1 1 99 99 LEU HD12 H 1 0.853 0.005 . 2 . . . . 99 LEU HD11 . 16977 1 1138 . 1 1 99 99 LEU HD13 H 1 0.853 0.005 . 2 . . . . 99 LEU HD11 . 16977 1 1139 . 1 1 99 99 LEU HD21 H 1 0.757 0.003 . 2 . . . . 99 LEU HD21 . 16977 1 1140 . 1 1 99 99 LEU HD22 H 1 0.757 0.003 . 2 . . . . 99 LEU HD21 . 16977 1 1141 . 1 1 99 99 LEU HD23 H 1 0.757 0.003 . 2 . . . . 99 LEU HD21 . 16977 1 1142 . 1 1 99 99 LEU HG H 1 1.932 0.004 . 1 . . . . 99 LEU HG . 16977 1 1143 . 1 1 99 99 LEU C C 13 176.470 0.070 . 1 . . . . 99 LEU CO . 16977 1 1144 . 1 1 99 99 LEU CA C 13 53.643 0.028 . 1 . . . . 99 LEU CA . 16977 1 1145 . 1 1 99 99 LEU CB C 13 44.721 0.067 . 1 . . . . 99 LEU CB . 16977 1 1146 . 1 1 99 99 LEU CD1 C 13 26.013 0.034 . 2 . . . . 99 LEU CD1 . 16977 1 1147 . 1 1 99 99 LEU CD2 C 13 22.810 0.017 . 2 . . . . 99 LEU CD2 . 16977 1 1148 . 1 1 99 99 LEU CG C 13 26.090 0.071 . 1 . . . . 99 LEU CG . 16977 1 1149 . 1 1 99 99 LEU N N 15 117.913 0.025 . 1 . . . . 99 LEU N . 16977 1 1150 . 1 1 100 100 VAL H H 1 9.435 0.002 . 1 . . . . 100 VAL HN . 16977 1 1151 . 1 1 100 100 VAL HA H 1 4.540 0.003 . 1 . . . . 100 VAL HA . 16977 1 1152 . 1 1 100 100 VAL HB H 1 1.814 0.004 . 1 . . . . 100 VAL HB . 16977 1 1153 . 1 1 100 100 VAL HG11 H 1 0.694 0.003 . 2 . . . . 100 VAL HG11 . 16977 1 1154 . 1 1 100 100 VAL HG12 H 1 0.694 0.003 . 2 . . . . 100 VAL HG11 . 16977 1 1155 . 1 1 100 100 VAL HG13 H 1 0.694 0.003 . 2 . . . . 100 VAL HG11 . 16977 1 1156 . 1 1 100 100 VAL HG21 H 1 0.657 0.003 . 2 . . . . 100 VAL HG21 . 16977 1 1157 . 1 1 100 100 VAL HG22 H 1 0.657 0.003 . 2 . . . . 100 VAL HG21 . 16977 1 1158 . 1 1 100 100 VAL HG23 H 1 0.657 0.003 . 2 . . . . 100 VAL HG21 . 16977 1 1159 . 1 1 100 100 VAL C C 13 174.209 0.070 . 1 . . . . 100 VAL CO . 16977 1 1160 . 1 1 100 100 VAL CA C 13 59.914 0.136 . 1 . . . . 100 VAL CA . 16977 1 1161 . 1 1 100 100 VAL CB C 13 35.312 0.062 . 1 . . . . 100 VAL CB . 16977 1 1162 . 1 1 100 100 VAL CG1 C 13 21.375 0.039 . 2 . . . . 100 VAL CG1 . 16977 1 1163 . 1 1 100 100 VAL CG2 C 13 20.279 0.055 . 2 . . . . 100 VAL CG2 . 16977 1 1164 . 1 1 100 100 VAL N N 15 120.181 0.046 . 1 . . . . 100 VAL N . 16977 1 1165 . 1 1 101 101 LEU H H 1 8.958 0.003 . 1 . . . . 101 LEU HN . 16977 1 1166 . 1 1 101 101 LEU HA H 1 5.025 0.005 . 1 . . . . 101 LEU HA . 16977 1 1167 . 1 1 101 101 LEU HB2 H 1 1.815 0.006 . 2 . . . . 101 LEU HB2 . 16977 1 1168 . 1 1 101 101 LEU HB3 H 1 0.956 0.005 . 2 . . . . 101 LEU HB3 . 16977 1 1169 . 1 1 101 101 LEU HD11 H 1 0.605 0.002 . 2 . . . . 101 LEU HD11 . 16977 1 1170 . 1 1 101 101 LEU HD12 H 1 0.605 0.002 . 2 . . . . 101 LEU HD11 . 16977 1 1171 . 1 1 101 101 LEU HD13 H 1 0.605 0.002 . 2 . . . . 101 LEU HD11 . 16977 1 1172 . 1 1 101 101 LEU HD21 H 1 0.141 0.002 . 2 . . . . 101 LEU HD21 . 16977 1 1173 . 1 1 101 101 LEU HD22 H 1 0.141 0.002 . 2 . . . . 101 LEU HD21 . 16977 1 1174 . 1 1 101 101 LEU HD23 H 1 0.141 0.002 . 2 . . . . 101 LEU HD21 . 16977 1 1175 . 1 1 101 101 LEU HG H 1 1.501 0.002 . 1 . . . . 101 LEU HG . 16977 1 1176 . 1 1 101 101 LEU C C 13 176.117 0.070 . 1 . . . . 101 LEU CO . 16977 1 1177 . 1 1 101 101 LEU CA C 13 52.902 0.177 . 1 . . . . 101 LEU CA . 16977 1 1178 . 1 1 101 101 LEU CB C 13 43.061 0.060 . 1 . . . . 101 LEU CB . 16977 1 1179 . 1 1 101 101 LEU CD1 C 13 26.677 0.064 . 2 . . . . 101 LEU CD1 . 16977 1 1180 . 1 1 101 101 LEU CD2 C 13 23.566 0.048 . 2 . . . . 101 LEU CD2 . 16977 1 1181 . 1 1 101 101 LEU CG C 13 26.947 0.036 . 1 . . . . 101 LEU CG . 16977 1 1182 . 1 1 101 101 LEU N N 15 119.876 0.037 . 1 . . . . 101 LEU N . 16977 1 1183 . 1 1 102 102 VAL H H 1 8.890 0.003 . 1 . . . . 102 VAL HN . 16977 1 1184 . 1 1 102 102 VAL HA H 1 4.429 0.004 . 1 . . . . 102 VAL HA . 16977 1 1185 . 1 1 102 102 VAL HB H 1 1.945 0.003 . 1 . . . . 102 VAL HB . 16977 1 1186 . 1 1 102 102 VAL HG11 H 1 0.891 0.001 . 2 . . . . 102 VAL HG11 . 16977 1 1187 . 1 1 102 102 VAL HG12 H 1 0.891 0.001 . 2 . . . . 102 VAL HG11 . 16977 1 1188 . 1 1 102 102 VAL HG13 H 1 0.891 0.001 . 2 . . . . 102 VAL HG11 . 16977 1 1189 . 1 1 102 102 VAL HG21 H 1 0.877 0.070 . 2 . . . . 102 VAL HG21 . 16977 1 1190 . 1 1 102 102 VAL HG22 H 1 0.877 0.070 . 2 . . . . 102 VAL HG21 . 16977 1 1191 . 1 1 102 102 VAL HG23 H 1 0.877 0.070 . 2 . . . . 102 VAL HG21 . 16977 1 1192 . 1 1 102 102 VAL CA C 13 58.990 0.070 . 1 . . . . 102 VAL CA . 16977 1 1193 . 1 1 102 102 VAL CB C 13 34.166 0.083 . 1 . . . . 102 VAL CB . 16977 1 1194 . 1 1 102 102 VAL CG1 C 13 21.144 0.070 . 2 . . . . 102 VAL CG1 . 16977 1 1195 . 1 1 102 102 VAL CG2 C 13 21.355 0.070 . 2 . . . . 102 VAL CG2 . 16977 1 1196 . 1 1 102 102 VAL N N 15 120.964 0.039 . 1 . . . . 102 VAL N . 16977 1 1197 . 1 1 103 103 PRO HA H 1 4.284 0.003 . 1 . . . . 103 PRO HA . 16977 1 1198 . 1 1 103 103 PRO HB2 H 1 2.073 0.003 . 2 . . . . 103 PRO HB2 . 16977 1 1199 . 1 1 103 103 PRO HB3 H 1 1.828 0.008 . 2 . . . . 103 PRO HB3 . 16977 1 1200 . 1 1 103 103 PRO HD2 H 1 3.601 0.007 . 2 . . . . 103 PRO HD2 . 16977 1 1201 . 1 1 103 103 PRO HD3 H 1 3.556 0.011 . 2 . . . . 103 PRO HD3 . 16977 1 1202 . 1 1 103 103 PRO HG2 H 1 1.714 0.002 . 2 . . . . 103 PRO HG2 . 16977 1 1203 . 1 1 103 103 PRO HG3 H 1 1.425 0.004 . 2 . . . . 103 PRO HG3 . 16977 1 1204 . 1 1 103 103 PRO C C 13 175.423 0.070 . 1 . . . . 103 PRO CO . 16977 1 1205 . 1 1 103 103 PRO CA C 13 64.517 0.053 . 1 . . . . 103 PRO CA . 16977 1 1206 . 1 1 103 103 PRO CB C 13 32.933 0.058 . 1 . . . . 103 PRO CB . 16977 1 1207 . 1 1 103 103 PRO CD C 13 51.760 0.029 . 1 . . . . 103 PRO CD . 16977 1 1208 . 1 1 103 103 PRO CG C 13 27.840 0.064 . 1 . . . . 103 PRO CG . 16977 1 1209 . 1 1 104 104 LEU H H 1 9.310 0.004 . 1 . . . . 104 LEU HN . 16977 1 1210 . 1 1 104 104 LEU HA H 1 4.671 0.003 . 1 . . . . 104 LEU HA . 16977 1 1211 . 1 1 104 104 LEU HB2 H 1 1.595 0.004 . 2 . . . . 104 LEU HB2 . 16977 1 1212 . 1 1 104 104 LEU HD11 H 1 0.831 0.002 . 2 . . . . 104 LEU HD11 . 16977 1 1213 . 1 1 104 104 LEU HD12 H 1 0.831 0.002 . 2 . . . . 104 LEU HD11 . 16977 1 1214 . 1 1 104 104 LEU HD13 H 1 0.831 0.002 . 2 . . . . 104 LEU HD11 . 16977 1 1215 . 1 1 104 104 LEU HD21 H 1 0.804 0.070 . 2 . . . . 104 LEU HD21 . 16977 1 1216 . 1 1 104 104 LEU HD22 H 1 0.804 0.070 . 2 . . . . 104 LEU HD21 . 16977 1 1217 . 1 1 104 104 LEU HD23 H 1 0.804 0.070 . 2 . . . . 104 LEU HD21 . 16977 1 1218 . 1 1 104 104 LEU HG H 1 1.682 0.003 . 1 . . . . 104 LEU HG . 16977 1 1219 . 1 1 104 104 LEU C C 13 176.986 0.070 . 1 . . . . 104 LEU CO . 16977 1 1220 . 1 1 104 104 LEU CA C 13 56.250 0.008 . 1 . . . . 104 LEU CA . 16977 1 1221 . 1 1 104 104 LEU CB C 13 43.867 0.039 . 1 . . . . 104 LEU CB . 16977 1 1222 . 1 1 104 104 LEU CD1 C 13 23.973 0.070 . 2 . . . . 104 LEU CD1 . 16977 1 1223 . 1 1 104 104 LEU CD2 C 13 23.861 0.070 . 2 . . . . 104 LEU CD2 . 16977 1 1224 . 1 1 104 104 LEU CG C 13 26.621 0.059 . 1 . . . . 104 LEU CG . 16977 1 1225 . 1 1 104 104 LEU N N 15 125.367 0.045 . 1 . . . . 104 LEU N . 16977 1 1226 . 1 1 105 105 THR H H 1 7.417 0.004 . 1 . . . . 105 THR HN . 16977 1 1227 . 1 1 105 105 THR HA H 1 4.635 0.007 . 1 . . . . 105 THR HA . 16977 1 1228 . 1 1 105 105 THR HB H 1 4.065 0.002 . 1 . . . . 105 THR HB . 16977 1 1229 . 1 1 105 105 THR HG21 H 1 1.292 0.002 . 1 . . . . 105 THR HG21 . 16977 1 1230 . 1 1 105 105 THR HG22 H 1 1.292 0.002 . 1 . . . . 105 THR HG21 . 16977 1 1231 . 1 1 105 105 THR HG23 H 1 1.292 0.002 . 1 . . . . 105 THR HG21 . 16977 1 1232 . 1 1 105 105 THR C C 13 171.984 0.070 . 1 . . . . 105 THR CO . 16977 1 1233 . 1 1 105 105 THR CA C 13 61.645 0.039 . 1 . . . . 105 THR CA . 16977 1 1234 . 1 1 105 105 THR CB C 13 71.436 0.044 . 1 . . . . 105 THR CB . 16977 1 1235 . 1 1 105 105 THR CG2 C 13 21.749 0.060 . 1 . . . . 105 THR CG2 . 16977 1 1236 . 1 1 105 105 THR N N 15 112.680 0.042 . 1 . . . . 105 THR N . 16977 1 1237 . 1 1 106 106 THR H H 1 8.569 0.006 . 1 . . . . 106 THR HN . 16977 1 1238 . 1 1 106 106 THR HA H 1 5.663 0.004 . 1 . . . . 106 THR HA . 16977 1 1239 . 1 1 106 106 THR HB H 1 3.801 0.003 . 1 . . . . 106 THR HB . 16977 1 1240 . 1 1 106 106 THR HG21 H 1 0.971 0.004 . 1 . . . . 106 THR HG21 . 16977 1 1241 . 1 1 106 106 THR HG22 H 1 0.971 0.004 . 1 . . . . 106 THR HG21 . 16977 1 1242 . 1 1 106 106 THR HG23 H 1 0.971 0.004 . 1 . . . . 106 THR HG21 . 16977 1 1243 . 1 1 106 106 THR C C 13 173.408 0.070 . 1 . . . . 106 THR CO . 16977 1 1244 . 1 1 106 106 THR CA C 13 61.453 0.094 . 1 . . . . 106 THR CA . 16977 1 1245 . 1 1 106 106 THR CB C 13 71.137 0.054 . 1 . . . . 106 THR CB . 16977 1 1246 . 1 1 106 106 THR CG2 C 13 21.442 0.031 . 1 . . . . 106 THR CG2 . 16977 1 1247 . 1 1 106 106 THR N N 15 124.371 0.071 . 1 . . . . 106 THR N . 16977 1 1248 . 1 1 107 107 LYS H H 1 8.455 0.003 . 1 . . . . 107 LYS HN . 16977 1 1249 . 1 1 107 107 LYS HA H 1 4.263 0.003 . 1 . . . . 107 LYS HA . 16977 1 1250 . 1 1 107 107 LYS HB2 H 1 0.922 0.003 . 2 . . . . 107 LYS HB2 . 16977 1 1251 . 1 1 107 107 LYS HB3 H 1 0.156 0.003 . 2 . . . . 107 LYS HB3 . 16977 1 1252 . 1 1 107 107 LYS HD2 H 1 1.304 0.004 . 2 . . . . 107 LYS HD2 . 16977 1 1253 . 1 1 107 107 LYS HD3 H 1 1.044 0.004 . 2 . . . . 107 LYS HD3 . 16977 1 1254 . 1 1 107 107 LYS HE2 H 1 2.727 0.002 . 2 . . . . 107 LYS HE2 . 16977 1 1255 . 1 1 107 107 LYS HE3 H 1 2.604 0.002 . 2 . . . . 107 LYS HE3 . 16977 1 1256 . 1 1 107 107 LYS HG2 H 1 0.915 0.005 . 2 . . . . 107 LYS HG2 . 16977 1 1257 . 1 1 107 107 LYS HG3 H 1 0.585 0.007 . 2 . . . . 107 LYS HG3 . 16977 1 1258 . 1 1 107 107 LYS C C 13 173.974 0.070 . 1 . . . . 107 LYS CO . 16977 1 1259 . 1 1 107 107 LYS CA C 13 54.813 0.065 . 1 . . . . 107 LYS CA . 16977 1 1260 . 1 1 107 107 LYS CB C 13 35.911 0.049 . 1 . . . . 107 LYS CB . 16977 1 1261 . 1 1 107 107 LYS CD C 13 28.530 0.050 . 1 . . . . 107 LYS CD . 16977 1 1262 . 1 1 107 107 LYS CE C 13 42.125 0.022 . 1 . . . . 107 LYS CE . 16977 1 1263 . 1 1 107 107 LYS CG C 13 25.579 0.060 . 1 . . . . 107 LYS CG . 16977 1 1264 . 1 1 107 107 LYS N N 15 127.307 0.022 . 1 . . . . 107 LYS N . 16977 1 1265 . 1 1 108 108 VAL H H 1 8.126 0.002 . 1 . . . . 108 VAL HN . 16977 1 1266 . 1 1 108 108 VAL HA H 1 4.326 0.004 . 1 . . . . 108 VAL HA . 16977 1 1267 . 1 1 108 108 VAL HB H 1 1.789 0.003 . 1 . . . . 108 VAL HB . 16977 1 1268 . 1 1 108 108 VAL HG11 H 1 0.755 0.009 . 2 . . . . 108 VAL HG11 . 16977 1 1269 . 1 1 108 108 VAL HG12 H 1 0.755 0.009 . 2 . . . . 108 VAL HG11 . 16977 1 1270 . 1 1 108 108 VAL HG13 H 1 0.755 0.009 . 2 . . . . 108 VAL HG11 . 16977 1 1271 . 1 1 108 108 VAL HG21 H 1 0.617 0.006 . 2 . . . . 108 VAL HG21 . 16977 1 1272 . 1 1 108 108 VAL HG22 H 1 0.617 0.006 . 2 . . . . 108 VAL HG21 . 16977 1 1273 . 1 1 108 108 VAL HG23 H 1 0.617 0.006 . 2 . . . . 108 VAL HG21 . 16977 1 1274 . 1 1 108 108 VAL C C 13 175.803 0.070 . 1 . . . . 108 VAL CO . 16977 1 1275 . 1 1 108 108 VAL CA C 13 62.496 0.049 . 1 . . . . 108 VAL CA . 16977 1 1276 . 1 1 108 108 VAL CB C 13 31.546 0.092 . 1 . . . . 108 VAL CB . 16977 1 1277 . 1 1 108 108 VAL CG1 C 13 21.488 0.069 . 2 . . . . 108 VAL CG1 . 16977 1 1278 . 1 1 108 108 VAL CG2 C 13 21.015 0.039 . 2 . . . . 108 VAL CG2 . 16977 1 1279 . 1 1 108 108 VAL N N 15 121.491 0.047 . 1 . . . . 108 VAL N . 16977 1 1280 . 1 1 109 109 VAL H H 1 8.725 0.002 . 1 . . . . 109 VAL HN . 16977 1 1281 . 1 1 109 109 VAL HA H 1 4.178 0.002 . 1 . . . . 109 VAL HA . 16977 1 1282 . 1 1 109 109 VAL HB H 1 2.045 0.001 . 1 . . . . 109 VAL HB . 16977 1 1283 . 1 1 109 109 VAL HG11 H 1 0.967 0.005 . 2 . . . . 109 VAL HG11 . 16977 1 1284 . 1 1 109 109 VAL HG12 H 1 0.967 0.005 . 2 . . . . 109 VAL HG11 . 16977 1 1285 . 1 1 109 109 VAL HG13 H 1 0.967 0.005 . 2 . . . . 109 VAL HG11 . 16977 1 1286 . 1 1 109 109 VAL HG21 H 1 0.806 0.003 . 2 . . . . 109 VAL HG21 . 16977 1 1287 . 1 1 109 109 VAL HG22 H 1 0.806 0.003 . 2 . . . . 109 VAL HG21 . 16977 1 1288 . 1 1 109 109 VAL HG23 H 1 0.806 0.003 . 2 . . . . 109 VAL HG21 . 16977 1 1289 . 1 1 109 109 VAL C C 13 176.475 0.070 . 1 . . . . 109 VAL CO . 16977 1 1290 . 1 1 109 109 VAL CA C 13 61.296 0.032 . 1 . . . . 109 VAL CA . 16977 1 1291 . 1 1 109 109 VAL CB C 13 34.785 0.070 . 1 . . . . 109 VAL CB . 16977 1 1292 . 1 1 109 109 VAL CG1 C 13 21.100 0.021 . 2 . . . . 109 VAL CG1 . 16977 1 1293 . 1 1 109 109 VAL CG2 C 13 20.948 0.042 . 2 . . . . 109 VAL CG2 . 16977 1 1294 . 1 1 109 109 VAL N N 15 128.384 0.020 . 1 . . . . 109 VAL N . 16977 1 1295 . 1 1 110 110 GLY H H 1 9.177 0.004 . 1 . . . . 110 GLY HN . 16977 1 1296 . 1 1 110 110 GLY HA2 H 1 3.765 0.003 . 2 . . . . 110 GLY HA2 . 16977 1 1297 . 1 1 110 110 GLY C C 13 175.385 0.070 . 1 . . . . 110 GLY CO . 16977 1 1298 . 1 1 110 110 GLY CA C 13 47.344 0.073 . 1 . . . . 110 GLY CA . 16977 1 1299 . 1 1 110 110 GLY N N 15 116.611 0.017 . 1 . . . . 110 GLY N . 16977 1 1300 . 1 1 111 111 GLY H H 1 8.196 0.003 . 1 . . . . 111 GLY HN . 16977 1 1301 . 1 1 111 111 GLY HA2 H 1 4.173 0.005 . 2 . . . . 111 GLY HA2 . 16977 1 1302 . 1 1 111 111 GLY HA3 H 1 3.566 0.002 . 2 . . . . 111 GLY HA3 . 16977 1 1303 . 1 1 111 111 GLY C C 13 173.850 0.070 . 1 . . . . 111 GLY CO . 16977 1 1304 . 1 1 111 111 GLY CA C 13 45.068 0.035 . 1 . . . . 111 GLY CA . 16977 1 1305 . 1 1 111 111 GLY N N 15 105.373 0.041 . 1 . . . . 111 GLY N . 16977 1 1306 . 1 1 112 112 SER H H 1 7.786 0.004 . 1 . . . . 112 SER HN . 16977 1 1307 . 1 1 112 112 SER HA H 1 4.842 0.005 . 1 . . . . 112 SER HA . 16977 1 1308 . 1 1 112 112 SER HB2 H 1 3.949 0.004 . 2 . . . . 112 SER HB2 . 16977 1 1309 . 1 1 112 112 SER HB3 H 1 3.843 0.005 . 2 . . . . 112 SER HB3 . 16977 1 1310 . 1 1 112 112 SER C C 13 173.040 0.070 . 1 . . . . 112 SER CO . 16977 1 1311 . 1 1 112 112 SER CA C 13 57.233 0.063 . 1 . . . . 112 SER CA . 16977 1 1312 . 1 1 112 112 SER CB C 13 65.484 0.103 . 1 . . . . 112 SER CB . 16977 1 1313 . 1 1 112 112 SER N N 15 116.221 0.025 . 1 . . . . 112 SER N . 16977 1 1314 . 1 1 113 113 ARG H H 1 8.895 0.004 . 1 . . . . 113 ARG HN . 16977 1 1315 . 1 1 113 113 ARG HA H 1 4.062 0.003 . 1 . . . . 113 ARG HA . 16977 1 1316 . 1 1 113 113 ARG HB2 H 1 1.461 0.003 . 2 . . . . 113 ARG HB2 . 16977 1 1317 . 1 1 113 113 ARG HB3 H 1 1.514 0.009 . 2 . . . . 113 ARG HB3 . 16977 1 1318 . 1 1 113 113 ARG HD2 H 1 3.101 0.001 . 2 . . . . 113 ARG HD2 . 16977 1 1319 . 1 1 113 113 ARG HD3 H 1 3.122 0.070 . 2 . . . . 113 ARG HD3 . 16977 1 1320 . 1 1 113 113 ARG HG2 H 1 1.422 0.070 . 2 . . . . 113 ARG HG2 . 16977 1 1321 . 1 1 113 113 ARG HG3 H 1 1.236 0.009 . 2 . . . . 113 ARG HG3 . 16977 1 1322 . 1 1 113 113 ARG C C 13 173.965 0.090 . 1 . . . . 113 ARG CO . 16977 1 1323 . 1 1 113 113 ARG CA C 13 57.984 0.049 . 1 . . . . 113 ARG CA . 16977 1 1324 . 1 1 113 113 ARG CB C 13 31.369 0.090 . 1 . . . . 113 ARG CB . 16977 1 1325 . 1 1 113 113 ARG CD C 13 43.550 0.011 . 1 . . . . 113 ARG CD . 16977 1 1326 . 1 1 113 113 ARG CG C 13 28.483 0.019 . 1 . . . . 113 ARG CG . 16977 1 1327 . 1 1 113 113 ARG N N 15 127.032 0.032 . 1 . . . . 113 ARG N . 16977 1 1328 . 1 1 114 114 CYS H H 1 8.479 0.003 . 1 . . . . 114 CYS HN . 16977 1 1329 . 1 1 114 114 CYS HA H 1 4.995 0.011 . 1 . . . . 114 CYS HA . 16977 1 1330 . 1 1 114 114 CYS HB2 H 1 3.124 0.004 . 2 . . . . 114 CYS HB2 . 16977 1 1331 . 1 1 114 114 CYS HB3 H 1 2.894 0.003 . 2 . . . . 114 CYS HB3 . 16977 1 1332 . 1 1 114 114 CYS C C 13 173.503 0.070 . 1 . . . . 114 CYS CO . 16977 1 1333 . 1 1 114 114 CYS CA C 13 58.190 0.064 . 1 . . . . 114 CYS CA . 16977 1 1334 . 1 1 114 114 CYS CB C 13 29.541 0.051 . 1 . . . . 114 CYS CB . 16977 1 1335 . 1 1 114 114 CYS N N 15 121.136 0.039 . 1 . . . . 114 CYS N . 16977 1 1336 . 1 1 115 115 THR H H 1 8.707 0.004 . 1 . . . . 115 THR HN . 16977 1 1337 . 1 1 115 115 THR HA H 1 5.571 0.008 . 1 . . . . 115 THR HA . 16977 1 1338 . 1 1 115 115 THR HB H 1 3.576 0.005 . 1 . . . . 115 THR HB . 16977 1 1339 . 1 1 115 115 THR HG21 H 1 1.391 0.003 . 1 . . . . 115 THR HG21 . 16977 1 1340 . 1 1 115 115 THR HG22 H 1 1.391 0.003 . 1 . . . . 115 THR HG21 . 16977 1 1341 . 1 1 115 115 THR HG23 H 1 1.391 0.003 . 1 . . . . 115 THR HG21 . 16977 1 1342 . 1 1 115 115 THR C C 13 175.088 0.070 . 1 . . . . 115 THR CO . 16977 1 1343 . 1 1 115 115 THR CA C 13 61.430 0.074 . 1 . . . . 115 THR CA . 16977 1 1344 . 1 1 115 115 THR CB C 13 71.890 0.043 . 1 . . . . 115 THR CB . 16977 1 1345 . 1 1 115 115 THR CG2 C 13 22.565 0.028 . 1 . . . . 115 THR CG2 . 16977 1 1346 . 1 1 115 115 THR N N 15 121.969 0.029 . 1 . . . . 115 THR N . 16977 1 1347 . 1 1 116 116 ILE H H 1 9.234 0.003 . 1 . . . . 116 ILE HN . 16977 1 1348 . 1 1 116 116 ILE HA H 1 4.291 0.004 . 1 . . . . 116 ILE HA . 16977 1 1349 . 1 1 116 116 ILE HB H 1 1.781 0.003 . 1 . . . . 116 ILE HB . 16977 1 1350 . 1 1 116 116 ILE HD11 H 1 0.419 0.003 . 1 . . . . 116 ILE HD11 . 16977 1 1351 . 1 1 116 116 ILE HD12 H 1 0.419 0.003 . 1 . . . . 116 ILE HD11 . 16977 1 1352 . 1 1 116 116 ILE HD13 H 1 0.419 0.003 . 1 . . . . 116 ILE HD11 . 16977 1 1353 . 1 1 116 116 ILE HG12 H 1 1.674 0.004 . 2 . . . . 116 ILE HG12 . 16977 1 1354 . 1 1 116 116 ILE HG13 H 1 0.712 0.006 . 2 . . . . 116 ILE HG13 . 16977 1 1355 . 1 1 116 116 ILE HG21 H 1 0.822 0.002 . 1 . . . . 116 ILE HG21 . 16977 1 1356 . 1 1 116 116 ILE HG22 H 1 0.822 0.002 . 1 . . . . 116 ILE HG21 . 16977 1 1357 . 1 1 116 116 ILE HG23 H 1 0.822 0.002 . 1 . . . . 116 ILE HG21 . 16977 1 1358 . 1 1 116 116 ILE C C 13 174.894 0.070 . 1 . . . . 116 ILE CO . 16977 1 1359 . 1 1 116 116 ILE CA C 13 62.674 0.027 . 1 . . . . 116 ILE CA . 16977 1 1360 . 1 1 116 116 ILE CB C 13 39.171 0.065 . 1 . . . . 116 ILE CB . 16977 1 1361 . 1 1 116 116 ILE CD1 C 13 14.147 0.065 . 1 . . . . 116 ILE CD1 . 16977 1 1362 . 1 1 116 116 ILE CG1 C 13 28.419 0.022 . 1 . . . . 116 ILE CG1 . 16977 1 1363 . 1 1 116 116 ILE CG2 C 13 18.074 0.050 . 1 . . . . 116 ILE CG2 . 16977 1 1364 . 1 1 116 116 ILE N N 15 128.150 0.026 . 1 . . . . 116 ILE N . 16977 1 1365 . 1 1 117 117 CYS H H 1 9.284 0.003 . 1 . . . . 117 CYS HN . 16977 1 1366 . 1 1 117 117 CYS HA H 1 5.130 0.004 . 1 . . . . 117 CYS HA . 16977 1 1367 . 1 1 117 117 CYS HB2 H 1 2.674 0.005 . 2 . . . . 117 CYS HB2 . 16977 1 1368 . 1 1 117 117 CYS HB3 H 1 2.366 0.004 . 2 . . . . 117 CYS HB3 . 16977 1 1369 . 1 1 117 117 CYS C C 13 174.508 0.070 . 1 . . . . 117 CYS CO . 16977 1 1370 . 1 1 117 117 CYS CA C 13 49.986 14.816 . 1 . . . . 117 CYS CA . 16977 1 1371 . 1 1 117 117 CYS CB C 13 31.519 0.039 . 1 . . . . 117 CYS CB . 16977 1 1372 . 1 1 117 117 CYS N N 15 124.601 0.036 . 1 . . . . 117 CYS N . 16977 1 1373 . 1 1 118 118 ASP H H 1 8.590 0.003 . 1 . . . . 118 ASP HN . 16977 1 1374 . 1 1 118 118 ASP HA H 1 5.011 0.006 . 1 . . . . 118 ASP HA . 16977 1 1375 . 1 1 118 118 ASP HB2 H 1 2.492 0.006 . 2 . . . . 118 ASP HB2 . 16977 1 1376 . 1 1 118 118 ASP HB3 H 1 2.382 0.003 . 2 . . . . 118 ASP HB3 . 16977 1 1377 . 1 1 118 118 ASP C C 13 175.398 0.070 . 1 . . . . 118 ASP CO . 16977 1 1378 . 1 1 118 118 ASP CA C 13 54.685 0.089 . 1 . . . . 118 ASP CA . 16977 1 1379 . 1 1 118 118 ASP CB C 13 43.298 0.036 . 1 . . . . 118 ASP CB . 16977 1 1380 . 1 1 118 118 ASP N N 15 122.500 0.021 . 1 . . . . 118 ASP N . 16977 1 1381 . 1 1 119 119 VAL H H 1 8.130 0.003 . 1 . . . . 119 VAL HN . 16977 1 1382 . 1 1 119 119 VAL HA H 1 4.616 0.006 . 1 . . . . 119 VAL HA . 16977 1 1383 . 1 1 119 119 VAL HB H 1 2.009 0.002 . 1 . . . . 119 VAL HB . 16977 1 1384 . 1 1 119 119 VAL HG11 H 1 0.611 0.003 . 2 . . . . 119 VAL HG11 . 16977 1 1385 . 1 1 119 119 VAL HG12 H 1 0.611 0.003 . 2 . . . . 119 VAL HG11 . 16977 1 1386 . 1 1 119 119 VAL HG13 H 1 0.611 0.003 . 2 . . . . 119 VAL HG11 . 16977 1 1387 . 1 1 119 119 VAL HG21 H 1 0.369 0.003 . 2 . . . . 119 VAL HG21 . 16977 1 1388 . 1 1 119 119 VAL HG22 H 1 0.369 0.003 . 2 . . . . 119 VAL HG21 . 16977 1 1389 . 1 1 119 119 VAL HG23 H 1 0.369 0.003 . 2 . . . . 119 VAL HG21 . 16977 1 1390 . 1 1 119 119 VAL C C 13 176.111 0.070 . 1 . . . . 119 VAL CO . 16977 1 1391 . 1 1 119 119 VAL CA C 13 61.785 0.033 . 1 . . . . 119 VAL CA . 16977 1 1392 . 1 1 119 119 VAL CB C 13 31.258 0.068 . 1 . . . . 119 VAL CB . 16977 1 1393 . 1 1 119 119 VAL CG1 C 13 24.190 0.052 . 2 . . . . 119 VAL CG1 . 16977 1 1394 . 1 1 119 119 VAL CG2 C 13 21.706 0.043 . 2 . . . . 119 VAL CG2 . 16977 1 1395 . 1 1 119 119 VAL N N 15 121.287 0.091 . 1 . . . . 119 VAL N . 16977 1 1396 . 1 1 120 120 VAL H H 1 9.213 0.003 . 1 . . . . 120 VAL HN . 16977 1 1397 . 1 1 120 120 VAL HA H 1 4.584 0.003 . 1 . . . . 120 VAL HA . 16977 1 1398 . 1 1 120 120 VAL HB H 1 1.958 0.002 . 1 . . . . 120 VAL HB . 16977 1 1399 . 1 1 120 120 VAL HG11 H 1 0.883 0.005 . 2 . . . . 120 VAL HG11 . 16977 1 1400 . 1 1 120 120 VAL HG12 H 1 0.883 0.005 . 2 . . . . 120 VAL HG11 . 16977 1 1401 . 1 1 120 120 VAL HG13 H 1 0.883 0.005 . 2 . . . . 120 VAL HG11 . 16977 1 1402 . 1 1 120 120 VAL HG21 H 1 0.747 0.004 . 2 . . . . 120 VAL HG21 . 16977 1 1403 . 1 1 120 120 VAL HG22 H 1 0.747 0.004 . 2 . . . . 120 VAL HG21 . 16977 1 1404 . 1 1 120 120 VAL HG23 H 1 0.747 0.004 . 2 . . . . 120 VAL HG21 . 16977 1 1405 . 1 1 120 120 VAL C C 13 174.062 0.070 . 1 . . . . 120 VAL CO . 16977 1 1406 . 1 1 120 120 VAL CA C 13 59.881 0.103 . 1 . . . . 120 VAL CA . 16977 1 1407 . 1 1 120 120 VAL CB C 13 35.732 0.057 . 1 . . . . 120 VAL CB . 16977 1 1408 . 1 1 120 120 VAL CG1 C 13 21.136 0.037 . 2 . . . . 120 VAL CG1 . 16977 1 1409 . 1 1 120 120 VAL CG2 C 13 20.768 0.025 . 2 . . . . 120 VAL CG2 . 16977 1 1410 . 1 1 120 120 VAL N N 15 127.239 0.034 . 1 . . . . 120 VAL N . 16977 1 1411 . 1 1 121 121 LYS H H 1 8.523 0.004 . 1 . . . . 121 LYS HN . 16977 1 1412 . 1 1 121 121 LYS HA H 1 4.767 0.007 . 1 . . . . 121 LYS HA . 16977 1 1413 . 1 1 121 121 LYS HB2 H 1 1.789 0.003 . 2 . . . . 121 LYS HB2 . 16977 1 1414 . 1 1 121 121 LYS HB3 H 1 1.580 0.004 . 2 . . . . 121 LYS HB3 . 16977 1 1415 . 1 1 121 121 LYS HD2 H 1 1.699 0.070 . 2 . . . . 121 LYS HD2 . 16977 1 1416 . 1 1 121 121 LYS HD3 H 1 1.649 0.070 . 2 . . . . 121 LYS HD3 . 16977 1 1417 . 1 1 121 121 LYS HE2 H 1 2.996 0.002 . 2 . . . . 121 LYS HE2 . 16977 1 1418 . 1 1 121 121 LYS HG2 H 1 1.446 0.005 . 2 . . . . 121 LYS HG2 . 16977 1 1419 . 1 1 121 121 LYS HG3 H 1 1.381 0.004 . 2 . . . . 121 LYS HG3 . 16977 1 1420 . 1 1 121 121 LYS C C 13 176.800 0.070 . 1 . . . . 121 LYS CO . 16977 1 1421 . 1 1 121 121 LYS CA C 13 56.081 0.070 . 1 . . . . 121 LYS CA . 16977 1 1422 . 1 1 121 121 LYS CB C 13 33.692 0.033 . 1 . . . . 121 LYS CB . 16977 1 1423 . 1 1 121 121 LYS CD C 13 29.441 0.009 . 1 . . . . 121 LYS CD . 16977 1 1424 . 1 1 121 121 LYS CE C 13 42.123 0.031 . 1 . . . . 121 LYS CE . 16977 1 1425 . 1 1 121 121 LYS CG C 13 25.098 0.054 . 1 . . . . 121 LYS CG . 16977 1 1426 . 1 1 121 121 LYS N N 15 124.146 0.035 . 1 . . . . 121 LYS N . 16977 1 1427 . 1 1 122 122 GLU H H 1 8.819 0.003 . 1 . . . . 122 GLU HN . 16977 1 1428 . 1 1 122 122 GLU HA H 1 4.178 0.002 . 1 . . . . 122 GLU HA . 16977 1 1429 . 1 1 122 122 GLU HB2 H 1 1.980 0.010 . 2 . . . . 122 GLU HB2 . 16977 1 1430 . 1 1 122 122 GLU HB3 H 1 1.868 0.070 . 2 . . . . 122 GLU HB3 . 16977 1 1431 . 1 1 122 122 GLU HG2 H 1 2.202 0.040 . 2 . . . . 122 GLU HG2 . 16977 1 1432 . 1 1 122 122 GLU C C 13 175.025 0.070 . 1 . . . . 122 GLU CO . 16977 1 1433 . 1 1 122 122 GLU CA C 13 57.076 0.037 . 1 . . . . 122 GLU CA . 16977 1 1434 . 1 1 122 122 GLU CB C 13 30.745 0.065 . 1 . . . . 122 GLU CB . 16977 1 1435 . 1 1 122 122 GLU CG C 13 36.499 0.065 . 1 . . . . 122 GLU CG . 16977 1 1436 . 1 1 122 122 GLU N N 15 127.048 0.029 . 1 . . . . 122 GLU N . 16977 1 1437 . 1 1 123 123 GLU H H 1 8.031 0.002 . 1 . . . . 123 GLU HN . 16977 1 1438 . 1 1 123 123 GLU HA H 1 4.146 0.070 . 1 . . . . 123 GLU HA . 16977 1 1439 . 1 1 123 123 GLU HB2 H 1 2.013 0.001 . 2 . . . . 123 GLU HB2 . 16977 1 1440 . 1 1 123 123 GLU HB3 H 1 1.871 0.001 . 2 . . . . 123 GLU HB3 . 16977 1 1441 . 1 1 123 123 GLU HG2 H 1 2.192 0.006 . 2 . . . . 123 GLU HG2 . 16977 1 1442 . 1 1 123 123 GLU CA C 13 58.129 0.070 . 1 . . . . 123 GLU CA . 16977 1 1443 . 1 1 123 123 GLU CB C 13 31.498 0.027 . 1 . . . . 123 GLU CB . 16977 1 1444 . 1 1 123 123 GLU CG C 13 36.592 0.126 . 1 . . . . 123 GLU CG . 16977 1 1445 . 1 1 123 123 GLU N N 15 128.986 0.060 . 1 . . . . 123 GLU N . 16977 1 stop_ save_