data_17596 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17596 _Entry.Title ; Backbone and sidechain 1H, 13C and 15N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-20 _Entry.Accession_date 2011-04-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Vanessa Morris . K. . 17596 2 Ann Kwan . H. . 17596 3 Joel Mackay . P. . 17596 4 Margaret Sunde . . . 17596 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 17596 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 854 17596 '15N chemical shifts' 238 17596 '1H chemical shifts' 1382 17596 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 . . 2012-04-06 2011-04-20 update BMRB 'update entry citation' 17596 1 . . 2011-08-19 2011-04-20 original author 'original release' 17596 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSH 'BMRB Entry Tracking System' 17596 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17596 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21845363 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain (1)H, (13)C and (15)N chemical shift assignments of the hydrophobin DewA from Aspergillus nidulans.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _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 83 _Citation.Page_last 86 _Citation.Year 2012 _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 Vanessa Morris . K. . 17596 1 2 Ann Kwan . H. . 17596 1 3 Joel Mackay . P. . 17596 1 4 Margaret Sunde . . . 17596 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17596 _Assembly.ID 1 _Assembly.Name DewA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 DewA 1 $DewA A . yes native no no . . . 17596 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 97 97 SG . . . . . . . . . . 17596 1 2 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 17596 1 3 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 67 67 SG . . . . . . . . . . 17596 1 4 disulfide single . 1 . 1 CYS 105 105 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 17596 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DewA _Entity.Sf_category entity _Entity.Sf_framecode DewA _Entity.Entry_ID 17596 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DewA _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 ; SLPASAAKNAKLATSAAFAK QAEGTTCNVGSIACCNSPAE TNNDSLLSGLLGAGLLNGLS GNTGSACAKASLIDQLGLLA LVDHTEEGPVCKNIVACCPE GTTNCVAVDNAGAGTKAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is a cloning artefact. Our construct starts from residue 19 of the native precursor, which is at the cleavage site.' _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2LSH . "Solution Structure Of The Class I Hydrophobin Dewa" . . . . . 100.00 118 100.00 100.00 2.61e-73 . . . . 17596 1 2 no GB AAC13762 . "spore-wall fungal hydrophobin [Aspergillus nidulans]" . . . . . 100.00 135 99.15 100.00 1.96e-73 . . . . 17596 1 3 no GB EAA58809 . "DEWA_EMENI SPORE-WALL FUNGAL HYDROPHOBIN DEWA PRECURSOR [Aspergillus nidulans FGSC A4]" . . . . . 100.00 135 99.15 100.00 1.96e-73 . . . . 17596 1 4 no REF XP_681275 . "DEWA_EMENI SPORE-WALL FUNGAL HYDROPHOBIN DEWA PRECURSOR [Aspergillus nidulans FGSC A4]" . . . . . 100.00 135 99.15 100.00 1.96e-73 . . . . 17596 1 5 no SP P52750 . "RecName: Full=Spore-wall fungal hydrophobin dewA; Flags: Precursor" . . . . . 100.00 135 99.15 100.00 1.96e-73 . . . . 17596 1 6 no TPE CBF73692 . "TPA: Spore-wall fungal hydrophobin dewA Precursor [Source:UniProtKB/Swiss-Prot;Acc:P52750] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 135 99.15 100.00 1.96e-73 . . . . 17596 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'fungal surface coating protein' 17596 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 . SER . 17596 1 2 . LEU . 17596 1 3 . PRO . 17596 1 4 . ALA . 17596 1 5 . SER . 17596 1 6 . ALA . 17596 1 7 . ALA . 17596 1 8 . LYS . 17596 1 9 . ASN . 17596 1 10 . ALA . 17596 1 11 . LYS . 17596 1 12 . LEU . 17596 1 13 . ALA . 17596 1 14 . THR . 17596 1 15 . SER . 17596 1 16 . ALA . 17596 1 17 . ALA . 17596 1 18 . PHE . 17596 1 19 . ALA . 17596 1 20 . LYS . 17596 1 21 . GLN . 17596 1 22 . ALA . 17596 1 23 . GLU . 17596 1 24 . GLY . 17596 1 25 . THR . 17596 1 26 . THR . 17596 1 27 . CYS . 17596 1 28 . ASN . 17596 1 29 . VAL . 17596 1 30 . GLY . 17596 1 31 . SER . 17596 1 32 . ILE . 17596 1 33 . ALA . 17596 1 34 . CYS . 17596 1 35 . CYS . 17596 1 36 . ASN . 17596 1 37 . SER . 17596 1 38 . PRO . 17596 1 39 . ALA . 17596 1 40 . GLU . 17596 1 41 . THR . 17596 1 42 . ASN . 17596 1 43 . ASN . 17596 1 44 . ASP . 17596 1 45 . SER . 17596 1 46 . LEU . 17596 1 47 . LEU . 17596 1 48 . SER . 17596 1 49 . GLY . 17596 1 50 . LEU . 17596 1 51 . LEU . 17596 1 52 . GLY . 17596 1 53 . ALA . 17596 1 54 . GLY . 17596 1 55 . LEU . 17596 1 56 . LEU . 17596 1 57 . ASN . 17596 1 58 . GLY . 17596 1 59 . LEU . 17596 1 60 . SER . 17596 1 61 . GLY . 17596 1 62 . ASN . 17596 1 63 . THR . 17596 1 64 . GLY . 17596 1 65 . SER . 17596 1 66 . ALA . 17596 1 67 . CYS . 17596 1 68 . ALA . 17596 1 69 . LYS . 17596 1 70 . ALA . 17596 1 71 . SER . 17596 1 72 . LEU . 17596 1 73 . ILE . 17596 1 74 . ASP . 17596 1 75 . GLN . 17596 1 76 . LEU . 17596 1 77 . GLY . 17596 1 78 . LEU . 17596 1 79 . LEU . 17596 1 80 . ALA . 17596 1 81 . LEU . 17596 1 82 . VAL . 17596 1 83 . ASP . 17596 1 84 . HIS . 17596 1 85 . THR . 17596 1 86 . GLU . 17596 1 87 . GLU . 17596 1 88 . GLY . 17596 1 89 . PRO . 17596 1 90 . VAL . 17596 1 91 . CYS . 17596 1 92 . LYS . 17596 1 93 . ASN . 17596 1 94 . ILE . 17596 1 95 . VAL . 17596 1 96 . ALA . 17596 1 97 . CYS . 17596 1 98 . CYS . 17596 1 99 . PRO . 17596 1 100 . GLU . 17596 1 101 . GLY . 17596 1 102 . THR . 17596 1 103 . THR . 17596 1 104 . ASN . 17596 1 105 . CYS . 17596 1 106 . VAL . 17596 1 107 . ALA . 17596 1 108 . VAL . 17596 1 109 . ASP . 17596 1 110 . ASN . 17596 1 111 . ALA . 17596 1 112 . GLY . 17596 1 113 . ALA . 17596 1 114 . GLY . 17596 1 115 . THR . 17596 1 116 . LYS . 17596 1 117 . ALA . 17596 1 118 . GLU . 17596 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 . SER 1 1 17596 1 . LEU 2 2 17596 1 . PRO 3 3 17596 1 . ALA 4 4 17596 1 . SER 5 5 17596 1 . ALA 6 6 17596 1 . ALA 7 7 17596 1 . LYS 8 8 17596 1 . ASN 9 9 17596 1 . ALA 10 10 17596 1 . LYS 11 11 17596 1 . LEU 12 12 17596 1 . ALA 13 13 17596 1 . THR 14 14 17596 1 . SER 15 15 17596 1 . ALA 16 16 17596 1 . ALA 17 17 17596 1 . PHE 18 18 17596 1 . ALA 19 19 17596 1 . LYS 20 20 17596 1 . GLN 21 21 17596 1 . ALA 22 22 17596 1 . GLU 23 23 17596 1 . GLY 24 24 17596 1 . THR 25 25 17596 1 . THR 26 26 17596 1 . CYS 27 27 17596 1 . ASN 28 28 17596 1 . VAL 29 29 17596 1 . GLY 30 30 17596 1 . SER 31 31 17596 1 . ILE 32 32 17596 1 . ALA 33 33 17596 1 . CYS 34 34 17596 1 . CYS 35 35 17596 1 . ASN 36 36 17596 1 . SER 37 37 17596 1 . PRO 38 38 17596 1 . ALA 39 39 17596 1 . GLU 40 40 17596 1 . THR 41 41 17596 1 . ASN 42 42 17596 1 . ASN 43 43 17596 1 . ASP 44 44 17596 1 . SER 45 45 17596 1 . LEU 46 46 17596 1 . LEU 47 47 17596 1 . SER 48 48 17596 1 . GLY 49 49 17596 1 . LEU 50 50 17596 1 . LEU 51 51 17596 1 . GLY 52 52 17596 1 . ALA 53 53 17596 1 . GLY 54 54 17596 1 . LEU 55 55 17596 1 . LEU 56 56 17596 1 . ASN 57 57 17596 1 . GLY 58 58 17596 1 . LEU 59 59 17596 1 . SER 60 60 17596 1 . GLY 61 61 17596 1 . ASN 62 62 17596 1 . THR 63 63 17596 1 . GLY 64 64 17596 1 . SER 65 65 17596 1 . ALA 66 66 17596 1 . CYS 67 67 17596 1 . ALA 68 68 17596 1 . LYS 69 69 17596 1 . ALA 70 70 17596 1 . SER 71 71 17596 1 . LEU 72 72 17596 1 . ILE 73 73 17596 1 . ASP 74 74 17596 1 . GLN 75 75 17596 1 . LEU 76 76 17596 1 . GLY 77 77 17596 1 . LEU 78 78 17596 1 . LEU 79 79 17596 1 . ALA 80 80 17596 1 . LEU 81 81 17596 1 . VAL 82 82 17596 1 . ASP 83 83 17596 1 . HIS 84 84 17596 1 . THR 85 85 17596 1 . GLU 86 86 17596 1 . GLU 87 87 17596 1 . GLY 88 88 17596 1 . PRO 89 89 17596 1 . VAL 90 90 17596 1 . CYS 91 91 17596 1 . LYS 92 92 17596 1 . ASN 93 93 17596 1 . ILE 94 94 17596 1 . VAL 95 95 17596 1 . ALA 96 96 17596 1 . CYS 97 97 17596 1 . CYS 98 98 17596 1 . PRO 99 99 17596 1 . GLU 100 100 17596 1 . GLY 101 101 17596 1 . THR 102 102 17596 1 . THR 103 103 17596 1 . ASN 104 104 17596 1 . CYS 105 105 17596 1 . VAL 106 106 17596 1 . ALA 107 107 17596 1 . VAL 108 108 17596 1 . ASP 109 109 17596 1 . ASN 110 110 17596 1 . ALA 111 111 17596 1 . GLY 112 112 17596 1 . ALA 113 113 17596 1 . GLY 114 114 17596 1 . THR 115 115 17596 1 . LYS 116 116 17596 1 . ALA 117 117 17596 1 . GLU 118 118 17596 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 17596 _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 $DewA . 162425 organism . 'Aspergillus nidulans' 'Aspergillus nidulans' . . Eukaryota Fungi Aspergillus nidulans . . . . . . . . . . . . . . . . . . . . . 17596 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 17596 _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 $DewA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHUE . . . . . . 17596 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_DewA _Sample.Sf_category sample _Sample.Sf_framecode 15N_DewA _Sample.Entry_ID 17596 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DewA '[U-99% 15N]' . . 1 $DewA . . . 300 500 uM . . . . 17596 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17596 1 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17596 1 4 H20 'natural abundance' . . . . . . 95 . . % . . . . 17596 1 5 D20 'natural abundance' . . . . . . 5 . . % . . . . 17596 1 stop_ save_ save_15N13C_DewA _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_DewA _Sample.Entry_ID 17596 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DewA '[U-98% 13C; U-98% 15N]' . . 1 $DewA . . . 300 500 uM . . . . 17596 2 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17596 2 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17596 2 4 H20 'natural abundance' . . . . . . 95 . . % . . . . 17596 2 5 D20 'natural abundance' . . . . . . 5 . . % . . . . 17596 2 stop_ save_ save_15N13C_DewA_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_DewA_D2O _Sample.Entry_ID 17596 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DewA '[U-98% 13C; U-98% 15N]' . . 1 $DewA . . . 300 500 uM . . . . 17596 3 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17596 3 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17596 3 4 H20 'natural abundance' . . . . . . 95 . . % . . . . 17596 3 5 D20 'natural abundance' . . . . . . 5 . . % . . . . 17596 3 stop_ save_ save_unlabelled_DewA _Sample.Sf_category sample _Sample.Sf_framecode unlabelled_DewA _Sample.Entry_ID 17596 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DewA '[U-98% 13C; U-98% 15N]' . . 1 $DewA . . . 300 500 uM . . . . 17596 4 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17596 4 3 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17596 4 4 H20 'natural abundance' . . . . . . 95 . . % . . . . 17596 4 5 D20 'natural abundance' . . . . . . 5 . . % . . . . 17596 4 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 17596 _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' 40 . mM 17596 1 pH 5.5 . pH 17596 1 pressure 1 . atm 17596 1 temperature 298 . K 17596 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17596 _Sample_condition_list.ID 2 _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' 40 . mM 17596 2 pH 5.1 . pH 17596 2 pressure 1 . atm 17596 2 temperature 298 . K 17596 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17596 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17596 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17596 1 processing 17596 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17596 _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 . . 17596 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17596 2 'peak picking' 17596 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17596 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17596 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17596 3 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 17596 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17596 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17596 _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 . 800 . . . 17596 1 2 spectrometer_2 Bruker Avance . 600 . . . 17596 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 17596 _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 . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $unlabelled_DewA isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17596 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 6 '3D HNCO' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 7 '3D HNCACB' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $15N13C_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N_DewA isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $15N13C_DewA_D2O isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $15N13C_DewA_D2O isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17596 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 17596 _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 . indirect 0.251449530 . . . . . . . . . 17596 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17596 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17596 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 17596 _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' . . . 17596 1 2 '2D 1H-13C HSQC' . . . 17596 1 3 '2D 1H-1H NOESY' . . . 17596 1 4 '3D CBCA(CO)NH' . . . 17596 1 5 '3D C(CO)NH' . . . 17596 1 6 '3D HNCO' . . . 17596 1 7 '3D HNCACB' . . . 17596 1 8 '3D HBHA(CO)NH' . . . 17596 1 9 '3D HN(CA)CO' . . . 17596 1 10 '3D 1H-15N NOESY' . . . 17596 1 11 '3D 1H-15N TOCSY' . . . 17596 1 12 '3D 1H-13C NOESY aliphatic' . . . 17596 1 13 '3D HCCH-TOCSY' . . . 17596 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 SER HA H 1 4.151 0.012 . 1 . . . . 1 SER HA . 17596 1 2 . 1 1 1 1 SER HB2 H 1 4.000 0.038 . 2 . . . . 1 SER HB2 . 17596 1 3 . 1 1 1 1 SER HB3 H 1 3.899 0.017 . 2 . . . . 1 SER HB3 . 17596 1 4 . 1 1 1 1 SER C C 13 170.589 0.013 . 1 . . . . 1 SER C . 17596 1 5 . 1 1 1 1 SER CA C 13 54.944 0.043 . 1 . . . . 1 SER CA . 17596 1 6 . 1 1 1 1 SER CB C 13 60.834 0.131 . 1 . . . . 1 SER CB . 17596 1 7 . 1 1 2 2 LEU H H 1 8.683 0.002 . 1 . . . . 2 LEU HN . 17596 1 8 . 1 1 2 2 LEU HA H 1 4.659 0.007 . 1 . . . . 2 LEU HA . 17596 1 9 . 1 1 2 2 LEU HB2 H 1 1.560 0.008 . 2 . . . . 2 LEU QB . 17596 1 10 . 1 1 2 2 LEU HB3 H 1 1.560 0.008 . 2 . . . . 2 LEU QB . 17596 1 11 . 1 1 2 2 LEU HG H 1 1.675 0.004 . 1 . . . . 2 LEU HG . 17596 1 12 . 1 1 2 2 LEU HD11 H 1 0.909 0.005 . 2 . . . . 2 LEU QD1 . 17596 1 13 . 1 1 2 2 LEU HD12 H 1 0.909 0.005 . 2 . . . . 2 LEU QD1 . 17596 1 14 . 1 1 2 2 LEU HD13 H 1 0.909 0.005 . 2 . . . . 2 LEU QD1 . 17596 1 15 . 1 1 2 2 LEU HD21 H 1 0.910 0.004 . 2 . . . . 2 LEU QD2 . 17596 1 16 . 1 1 2 2 LEU HD22 H 1 0.910 0.004 . 2 . . . . 2 LEU QD2 . 17596 1 17 . 1 1 2 2 LEU HD23 H 1 0.910 0.004 . 2 . . . . 2 LEU QD2 . 17596 1 18 . 1 1 2 2 LEU C C 13 175.082 0.000 . 1 . . . . 2 LEU C . 17596 1 19 . 1 1 2 2 LEU CA C 13 50.835 0.061 . 1 . . . . 2 LEU CA . 17596 1 20 . 1 1 2 2 LEU CB C 13 39.483 0.062 . 1 . . . . 2 LEU CB . 17596 1 21 . 1 1 2 2 LEU CG C 13 24.660 0.042 . 1 . . . . 2 LEU CG . 17596 1 22 . 1 1 2 2 LEU CD1 C 13 22.628 0.092 . 2 . . . . 2 LEU CD1 . 17596 1 23 . 1 1 2 2 LEU CD2 C 13 21.031 0.024 . 2 . . . . 2 LEU CD2 . 17596 1 24 . 1 1 2 2 LEU N N 15 124.072 0.040 . 1 . . . . 2 LEU N . 17596 1 25 . 1 1 3 3 PRO HA H 1 4.410 0.006 . 1 . . . . 3 PRO HA . 17596 1 26 . 1 1 3 3 PRO HB2 H 1 2.302 0.013 . 2 . . . . 3 PRO HB2 . 17596 1 27 . 1 1 3 3 PRO HB3 H 1 1.915 0.012 . 2 . . . . 3 PRO HB3 . 17596 1 28 . 1 1 3 3 PRO HG2 H 1 2.015 0.003 . 2 . . . . 3 PRO QG . 17596 1 29 . 1 1 3 3 PRO HG3 H 1 2.015 0.003 . 2 . . . . 3 PRO QG . 17596 1 30 . 1 1 3 3 PRO HD2 H 1 3.853 0.003 . 2 . . . . 3 PRO HD2 . 17596 1 31 . 1 1 3 3 PRO HD3 H 1 3.618 0.042 . 2 . . . . 3 PRO HD3 . 17596 1 32 . 1 1 3 3 PRO C C 13 176.942 0.011 . 1 . . . . 3 PRO C . 17596 1 33 . 1 1 3 3 PRO CA C 13 60.680 0.057 . 1 . . . . 3 PRO CA . 17596 1 34 . 1 1 3 3 PRO CB C 13 29.642 0.110 . 1 . . . . 3 PRO CB . 17596 1 35 . 1 1 3 3 PRO CG C 13 25.024 0.041 . 1 . . . . 3 PRO CG . 17596 1 36 . 1 1 3 3 PRO CD C 13 48.178 0.077 . 1 . . . . 3 PRO CD . 17596 1 37 . 1 1 3 3 PRO N N 15 137.451 0.004 . 1 . . . . 3 PRO N . 17596 1 38 . 1 1 4 4 ALA H H 1 8.517 0.002 . 1 . . . . 4 ALA HN . 17596 1 39 . 1 1 4 4 ALA HA H 1 4.260 0.012 . 1 . . . . 4 ALA HA . 17596 1 40 . 1 1 4 4 ALA HB1 H 1 1.408 0.006 . 1 . . . . 4 ALA QB . 17596 1 41 . 1 1 4 4 ALA HB2 H 1 1.408 0.006 . 1 . . . . 4 ALA QB . 17596 1 42 . 1 1 4 4 ALA HB3 H 1 1.408 0.006 . 1 . . . . 4 ALA QB . 17596 1 43 . 1 1 4 4 ALA C C 13 178.361 0.019 . 1 . . . . 4 ALA C . 17596 1 44 . 1 1 4 4 ALA CA C 13 50.647 0.057 . 1 . . . . 4 ALA CA . 17596 1 45 . 1 1 4 4 ALA CB C 13 16.560 0.031 . 1 . . . . 4 ALA CB . 17596 1 46 . 1 1 4 4 ALA N N 15 124.832 0.069 . 1 . . . . 4 ALA N . 17596 1 47 . 1 1 5 5 SER H H 1 8.234 0.002 . 1 . . . . 5 SER HN . 17596 1 48 . 1 1 5 5 SER HA H 1 4.353 0.008 . 1 . . . . 5 SER HA . 17596 1 49 . 1 1 5 5 SER HB2 H 1 3.924 0.011 . 2 . . . . 5 SER HB2 . 17596 1 50 . 1 1 5 5 SER HB3 H 1 3.864 0.006 . 2 . . . . 5 SER HB3 . 17596 1 51 . 1 1 5 5 SER C C 13 174.687 0.011 . 1 . . . . 5 SER C . 17596 1 52 . 1 1 5 5 SER CA C 13 56.154 0.121 . 1 . . . . 5 SER CA . 17596 1 53 . 1 1 5 5 SER CB C 13 61.228 0.043 . 1 . . . . 5 SER CB . 17596 1 54 . 1 1 5 5 SER N N 15 114.124 0.024 . 1 . . . . 5 SER N . 17596 1 55 . 1 1 6 6 ALA H H 1 8.173 0.003 . 1 . . . . 6 ALA HN . 17596 1 56 . 1 1 6 6 ALA HA H 1 4.317 0.009 . 1 . . . . 6 ALA HA . 17596 1 57 . 1 1 6 6 ALA HB1 H 1 1.393 0.006 . 1 . . . . 6 ALA QB . 17596 1 58 . 1 1 6 6 ALA HB2 H 1 1.393 0.006 . 1 . . . . 6 ALA QB . 17596 1 59 . 1 1 6 6 ALA HB3 H 1 1.393 0.006 . 1 . . . . 6 ALA QB . 17596 1 60 . 1 1 6 6 ALA C C 13 177.811 0.032 . 1 . . . . 6 ALA C . 17596 1 61 . 1 1 6 6 ALA CA C 13 50.231 0.038 . 1 . . . . 6 ALA CA . 17596 1 62 . 1 1 6 6 ALA CB C 13 16.714 0.046 . 1 . . . . 6 ALA CB . 17596 1 63 . 1 1 6 6 ALA N N 15 125.912 0.029 . 1 . . . . 6 ALA N . 17596 1 64 . 1 1 7 7 ALA H H 1 8.091 0.001 . 1 . . . . 7 ALA HN . 17596 1 65 . 1 1 7 7 ALA HA H 1 4.218 0.008 . 1 . . . . 7 ALA HA . 17596 1 66 . 1 1 7 7 ALA HB1 H 1 1.364 0.007 . 1 . . . . 7 ALA QB . 17596 1 67 . 1 1 7 7 ALA HB2 H 1 1.364 0.007 . 1 . . . . 7 ALA QB . 17596 1 68 . 1 1 7 7 ALA HB3 H 1 1.364 0.007 . 1 . . . . 7 ALA QB . 17596 1 69 . 1 1 7 7 ALA C C 13 178.189 0.054 . 1 . . . . 7 ALA C . 17596 1 70 . 1 1 7 7 ALA CA C 13 50.579 0.101 . 1 . . . . 7 ALA CA . 17596 1 71 . 1 1 7 7 ALA CB C 13 16.504 0.040 . 1 . . . . 7 ALA CB . 17596 1 72 . 1 1 7 7 ALA N N 15 122.823 0.004 . 1 . . . . 7 ALA N . 17596 1 73 . 1 1 8 8 LYS H H 1 8.149 0.002 . 1 . . . . 8 LYS HN . 17596 1 74 . 1 1 8 8 LYS HA H 1 4.136 0.016 . 1 . . . . 8 LYS HA . 17596 1 75 . 1 1 8 8 LYS HB2 H 1 1.767 0.031 . 2 . . . . 8 LYS HB2 . 17596 1 76 . 1 1 8 8 LYS HB3 H 1 1.710 0.006 . 2 . . . . 8 LYS HB3 . 17596 1 77 . 1 1 8 8 LYS HG2 H 1 1.395 0.002 . 2 . . . . 8 LYS HG2 . 17596 1 78 . 1 1 8 8 LYS HG3 H 1 1.319 0.002 . 2 . . . . 8 LYS HG3 . 17596 1 79 . 1 1 8 8 LYS HD2 H 1 1.609 0.002 . 2 . . . . 8 LYS QD . 17596 1 80 . 1 1 8 8 LYS HD3 H 1 1.609 0.002 . 2 . . . . 8 LYS QD . 17596 1 81 . 1 1 8 8 LYS HE2 H 1 2.937 0.002 . 2 . . . . 8 LYS QE . 17596 1 82 . 1 1 8 8 LYS HE3 H 1 2.937 0.002 . 2 . . . . 8 LYS QE . 17596 1 83 . 1 1 8 8 LYS C C 13 176.581 0.024 . 1 . . . . 8 LYS C . 17596 1 84 . 1 1 8 8 LYS CA C 13 54.357 0.119 . 1 . . . . 8 LYS CA . 17596 1 85 . 1 1 8 8 LYS CB C 13 30.038 0.148 . 1 . . . . 8 LYS CB . 17596 1 86 . 1 1 8 8 LYS CG C 13 22.325 0.031 . 1 . . . . 8 LYS CG . 17596 1 87 . 1 1 8 8 LYS CD C 13 26.452 0.103 . 1 . . . . 8 LYS CD . 17596 1 88 . 1 1 8 8 LYS CE C 13 39.578 0.055 . 1 . . . . 8 LYS CE . 17596 1 89 . 1 1 8 8 LYS N N 15 119.619 0.040 . 1 . . . . 8 LYS N . 17596 1 90 . 1 1 9 9 ASN H H 1 8.166 0.004 . 1 . . . . 9 ASN HN . 17596 1 91 . 1 1 9 9 ASN HA H 1 4.693 0.013 . 1 . . . . 9 ASN HA . 17596 1 92 . 1 1 9 9 ASN HB2 H 1 2.810 0.085 . 2 . . . . 9 ASN HB2 . 17596 1 93 . 1 1 9 9 ASN HB3 H 1 2.773 0.007 . 2 . . . . 9 ASN HB3 . 17596 1 94 . 1 1 9 9 ASN HD21 H 1 7.628 0.002 . 2 . . . . 9 ASN HD21 . 17596 1 95 . 1 1 9 9 ASN HD22 H 1 6.945 0.004 . 2 . . . . 9 ASN HD22 . 17596 1 96 . 1 1 9 9 ASN C C 13 174.669 0.029 . 1 . . . . 9 ASN C . 17596 1 97 . 1 1 9 9 ASN CA C 13 50.639 0.064 . 1 . . . . 9 ASN CA . 17596 1 98 . 1 1 9 9 ASN CB C 13 36.261 0.012 . 1 . . . . 9 ASN CB . 17596 1 99 . 1 1 9 9 ASN N N 15 118.218 0.015 . 1 . . . . 9 ASN N . 17596 1 100 . 1 1 9 9 ASN ND2 N 15 112.799 0.217 . 1 . . . . 9 ASN ND2 . 17596 1 101 . 1 1 10 10 ALA H H 1 7.996 0.004 . 1 . . . . 10 ALA HN . 17596 1 102 . 1 1 10 10 ALA HA H 1 4.315 0.008 . 1 . . . . 10 ALA HA . 17596 1 103 . 1 1 10 10 ALA HB1 H 1 1.368 0.002 . 1 . . . . 10 ALA QB . 17596 1 104 . 1 1 10 10 ALA HB2 H 1 1.368 0.002 . 1 . . . . 10 ALA QB . 17596 1 105 . 1 1 10 10 ALA HB3 H 1 1.368 0.002 . 1 . . . . 10 ALA QB . 17596 1 106 . 1 1 10 10 ALA C C 13 177.054 0.020 . 1 . . . . 10 ALA C . 17596 1 107 . 1 1 10 10 ALA CA C 13 49.987 0.040 . 1 . . . . 10 ALA CA . 17596 1 108 . 1 1 10 10 ALA CB C 13 17.301 0.021 . 1 . . . . 10 ALA CB . 17596 1 109 . 1 1 10 10 ALA N N 15 123.873 0.010 . 1 . . . . 10 ALA N . 17596 1 110 . 1 1 11 11 LYS H H 1 7.867 0.005 . 1 . . . . 11 LYS HN . 17596 1 111 . 1 1 11 11 LYS HA H 1 4.274 0.006 . 1 . . . . 11 LYS HA . 17596 1 112 . 1 1 11 11 LYS HB2 H 1 1.863 0.007 . 2 . . . . 11 LYS HB2 . 17596 1 113 . 1 1 11 11 LYS HB3 H 1 1.726 0.012 . 2 . . . . 11 LYS HB3 . 17596 1 114 . 1 1 11 11 LYS HG2 H 1 1.487 0.005 . 2 . . . . 11 LYS HG2 . 17596 1 115 . 1 1 11 11 LYS HG3 H 1 1.315 0.004 . 2 . . . . 11 LYS HG3 . 17596 1 116 . 1 1 11 11 LYS HD2 H 1 1.630 0.005 . 2 . . . . 11 LYS HD2 . 17596 1 117 . 1 1 11 11 LYS HD3 H 1 1.491 0.005 . 2 . . . . 11 LYS HD3 . 17596 1 118 . 1 1 11 11 LYS HE2 H 1 2.957 0.001 . 2 . . . . 11 LYS HE2 . 17596 1 119 . 1 1 11 11 LYS HE3 H 1 2.934 0.001 . 2 . . . . 11 LYS HE3 . 17596 1 120 . 1 1 11 11 LYS C C 13 177.006 0.000 . 1 . . . . 11 LYS C . 17596 1 121 . 1 1 11 11 LYS CA C 13 52.450 0.134 . 1 . . . . 11 LYS CA . 17596 1 122 . 1 1 11 11 LYS CB C 13 30.287 0.091 . 1 . . . . 11 LYS CB . 17596 1 123 . 1 1 11 11 LYS CG C 13 22.549 0.056 . 1 . . . . 11 LYS CG . 17596 1 124 . 1 1 11 11 LYS CD C 13 26.186 0.056 . 1 . . . . 11 LYS CD . 17596 1 125 . 1 1 11 11 LYS CE C 13 39.799 0.164 . 1 . . . . 11 LYS CE . 17596 1 126 . 1 1 11 11 LYS N N 15 120.135 0.015 . 1 . . . . 11 LYS N . 17596 1 127 . 1 1 12 12 LEU HA H 1 3.774 0.010 . 1 . . . . 12 LEU HA . 17596 1 128 . 1 1 12 12 LEU HB2 H 1 1.324 0.010 . 2 . . . . 12 LEU HB2 . 17596 1 129 . 1 1 12 12 LEU HB3 H 1 0.910 0.005 . 2 . . . . 12 LEU HB3 . 17596 1 130 . 1 1 12 12 LEU HG H 1 0.932 0.013 . 1 . . . . 12 LEU HG . 17596 1 131 . 1 1 12 12 LEU HD11 H 1 0.419 0.012 . 2 . . . . 12 LEU QD1 . 17596 1 132 . 1 1 12 12 LEU HD12 H 1 0.419 0.012 . 2 . . . . 12 LEU QD1 . 17596 1 133 . 1 1 12 12 LEU HD13 H 1 0.419 0.012 . 2 . . . . 12 LEU QD1 . 17596 1 134 . 1 1 12 12 LEU HD21 H 1 0.259 0.019 . 2 . . . . 12 LEU QD2 . 17596 1 135 . 1 1 12 12 LEU HD22 H 1 0.259 0.019 . 2 . . . . 12 LEU QD2 . 17596 1 136 . 1 1 12 12 LEU HD23 H 1 0.259 0.019 . 2 . . . . 12 LEU QD2 . 17596 1 137 . 1 1 12 12 LEU C C 13 180.216 0.000 . 1 . . . . 12 LEU C . 17596 1 138 . 1 1 12 12 LEU CA C 13 55.498 0.062 . 1 . . . . 12 LEU CA . 17596 1 139 . 1 1 12 12 LEU CB C 13 38.877 0.101 . 1 . . . . 12 LEU CB . 17596 1 140 . 1 1 12 12 LEU CG C 13 24.358 0.124 . 1 . . . . 12 LEU CG . 17596 1 141 . 1 1 12 12 LEU CD1 C 13 22.851 0.074 . 2 . . . . 12 LEU CD1 . 17596 1 142 . 1 1 12 12 LEU CD2 C 13 21.732 0.045 . 2 . . . . 12 LEU CD2 . 17596 1 143 . 1 1 12 12 LEU N N 15 128.846 0.038 . 1 . . . . 12 LEU N . 17596 1 144 . 1 1 13 13 ALA H H 1 9.138 0.012 . 1 . . . . 13 ALA HN . 17596 1 145 . 1 1 13 13 ALA HA H 1 3.900 0.017 . 1 . . . . 13 ALA HA . 17596 1 146 . 1 1 13 13 ALA HB1 H 1 1.380 0.010 . 1 . . . . 13 ALA QB . 17596 1 147 . 1 1 13 13 ALA HB2 H 1 1.380 0.010 . 1 . . . . 13 ALA QB . 17596 1 148 . 1 1 13 13 ALA HB3 H 1 1.380 0.010 . 1 . . . . 13 ALA QB . 17596 1 149 . 1 1 13 13 ALA C C 13 179.277 0.000 . 1 . . . . 13 ALA C . 17596 1 150 . 1 1 13 13 ALA CA C 13 52.776 0.055 . 1 . . . . 13 ALA CA . 17596 1 151 . 1 1 13 13 ALA CB C 13 16.742 0.016 . 1 . . . . 13 ALA CB . 17596 1 152 . 1 1 13 13 ALA N N 15 118.034 0.034 . 1 . . . . 13 ALA N . 17596 1 153 . 1 1 14 14 THR H H 1 6.679 0.003 . 1 . . . . 14 THR HN . 17596 1 154 . 1 1 14 14 THR HA H 1 4.532 0.009 . 1 . . . . 14 THR HA . 17596 1 155 . 1 1 14 14 THR HB H 1 4.658 0.008 . 1 . . . . 14 THR HB . 17596 1 156 . 1 1 14 14 THR HG21 H 1 1.082 0.008 . 1 . . . . 14 THR QG2 . 17596 1 157 . 1 1 14 14 THR HG22 H 1 1.082 0.008 . 1 . . . . 14 THR QG2 . 17596 1 158 . 1 1 14 14 THR HG23 H 1 1.082 0.008 . 1 . . . . 14 THR QG2 . 17596 1 159 . 1 1 14 14 THR C C 13 174.248 0.016 . 1 . . . . 14 THR C . 17596 1 160 . 1 1 14 14 THR CA C 13 57.228 0.080 . 1 . . . . 14 THR CA . 17596 1 161 . 1 1 14 14 THR CB C 13 65.899 0.092 . 1 . . . . 14 THR CB . 17596 1 162 . 1 1 14 14 THR CG2 C 13 19.179 0.030 . 1 . . . . 14 THR CG2 . 17596 1 163 . 1 1 14 14 THR N N 15 137.116 0.048 . 1 . . . . 14 THR N . 17596 1 164 . 1 1 15 15 SER H H 1 7.446 0.004 . 1 . . . . 15 SER HN . 17596 1 165 . 1 1 15 15 SER HA H 1 4.806 0.004 . 1 . . . . 15 SER HA . 17596 1 166 . 1 1 15 15 SER HB2 H 1 4.564 0.004 . 2 . . . . 15 SER HB2 . 17596 1 167 . 1 1 15 15 SER HB3 H 1 4.184 0.007 . 2 . . . . 15 SER HB3 . 17596 1 168 . 1 1 15 15 SER C C 13 176.918 0.035 . 1 . . . . 15 SER C . 17596 1 169 . 1 1 15 15 SER CA C 13 53.763 0.109 . 1 . . . . 15 SER CA . 17596 1 170 . 1 1 15 15 SER CB C 13 61.513 0.101 . 1 . . . . 15 SER CB . 17596 1 171 . 1 1 15 15 SER N N 15 117.471 0.036 . 1 . . . . 15 SER N . 17596 1 172 . 1 1 16 16 ALA H H 1 9.711 0.007 . 1 . . . . 16 ALA HN . 17596 1 173 . 1 1 16 16 ALA HA H 1 4.286 0.012 . 1 . . . . 16 ALA HA . 17596 1 174 . 1 1 16 16 ALA HB1 H 1 1.604 0.008 . 1 . . . . 16 ALA QB . 17596 1 175 . 1 1 16 16 ALA HB2 H 1 1.604 0.008 . 1 . . . . 16 ALA QB . 17596 1 176 . 1 1 16 16 ALA HB3 H 1 1.604 0.008 . 1 . . . . 16 ALA QB . 17596 1 177 . 1 1 16 16 ALA C C 13 180.317 0.011 . 1 . . . . 16 ALA C . 17596 1 178 . 1 1 16 16 ALA CA C 13 52.550 0.045 . 1 . . . . 16 ALA CA . 17596 1 179 . 1 1 16 16 ALA CB C 13 15.674 0.065 . 1 . . . . 16 ALA CB . 17596 1 180 . 1 1 16 16 ALA N N 15 101.269 0.044 . 1 . . . . 16 ALA N . 17596 1 181 . 1 1 17 17 ALA H H 1 7.672 0.009 . 1 . . . . 17 ALA HN . 17596 1 182 . 1 1 17 17 ALA HA H 1 4.008 0.005 . 1 . . . . 17 ALA HA . 17596 1 183 . 1 1 17 17 ALA HB1 H 1 0.955 0.008 . 1 . . . . 17 ALA QB . 17596 1 184 . 1 1 17 17 ALA HB2 H 1 0.955 0.008 . 1 . . . . 17 ALA QB . 17596 1 185 . 1 1 17 17 ALA HB3 H 1 0.955 0.008 . 1 . . . . 17 ALA QB . 17596 1 186 . 1 1 17 17 ALA C C 13 180.110 0.035 . 1 . . . . 17 ALA C . 17596 1 187 . 1 1 17 17 ALA CA C 13 51.972 0.040 . 1 . . . . 17 ALA CA . 17596 1 188 . 1 1 17 17 ALA CB C 13 17.025 0.114 . 1 . . . . 17 ALA CB . 17596 1 189 . 1 1 17 17 ALA N N 15 120.976 0.052 . 1 . . . . 17 ALA N . 17596 1 190 . 1 1 18 18 PHE H H 1 7.966 0.006 . 1 . . . . 18 PHE HN . 17596 1 191 . 1 1 18 18 PHE HA H 1 4.546 0.012 . 1 . . . . 18 PHE HA . 17596 1 192 . 1 1 18 18 PHE HB2 H 1 3.659 0.014 . 2 . . . . 18 PHE HB2 . 17596 1 193 . 1 1 18 18 PHE HB3 H 1 3.197 0.016 . 2 . . . . 18 PHE HB3 . 17596 1 194 . 1 1 18 18 PHE HD1 H 1 7.439 0.005 . 3 . . . . 18 PHE QD . 17596 1 195 . 1 1 18 18 PHE HD2 H 1 7.439 0.005 . 3 . . . . 18 PHE QD . 17596 1 196 . 1 1 18 18 PHE HE1 H 1 7.266 0.003 . 3 . . . . 18 PHE QE . 17596 1 197 . 1 1 18 18 PHE HE2 H 1 7.266 0.003 . 3 . . . . 18 PHE QE . 17596 1 198 . 1 1 18 18 PHE HZ H 1 6.985 0.008 . 1 . . . . 18 PHE HZ . 17596 1 199 . 1 1 18 18 PHE C C 13 177.078 0.072 . 1 . . . . 18 PHE C . 17596 1 200 . 1 1 18 18 PHE CA C 13 57.049 0.056 . 1 . . . . 18 PHE CA . 17596 1 201 . 1 1 18 18 PHE CB C 13 37.125 0.094 . 1 . . . . 18 PHE CB . 17596 1 202 . 1 1 18 18 PHE N N 15 122.588 0.069 . 1 . . . . 18 PHE N . 17596 1 203 . 1 1 19 19 ALA H H 1 7.776 0.004 . 1 . . . . 19 ALA HN . 17596 1 204 . 1 1 19 19 ALA HA H 1 3.846 0.009 . 1 . . . . 19 ALA HA . 17596 1 205 . 1 1 19 19 ALA HB1 H 1 1.486 0.008 . 1 . . . . 19 ALA QB . 17596 1 206 . 1 1 19 19 ALA HB2 H 1 1.486 0.008 . 1 . . . . 19 ALA QB . 17596 1 207 . 1 1 19 19 ALA HB3 H 1 1.486 0.008 . 1 . . . . 19 ALA QB . 17596 1 208 . 1 1 19 19 ALA C C 13 180.724 0.011 . 1 . . . . 19 ALA C . 17596 1 209 . 1 1 19 19 ALA CA C 13 52.633 0.075 . 1 . . . . 19 ALA CA . 17596 1 210 . 1 1 19 19 ALA CB C 13 14.852 0.049 . 1 . . . . 19 ALA CB . 17596 1 211 . 1 1 19 19 ALA N N 15 121.097 0.040 . 1 . . . . 19 ALA N . 17596 1 212 . 1 1 20 20 LYS H H 1 7.401 0.004 . 1 . . . . 20 LYS HN . 17596 1 213 . 1 1 20 20 LYS HA H 1 4.066 0.006 . 1 . . . . 20 LYS HA . 17596 1 214 . 1 1 20 20 LYS HB2 H 1 1.880 0.006 . 2 . . . . 20 LYS HB2 . 17596 1 215 . 1 1 20 20 LYS HB3 H 1 1.843 0.003 . 2 . . . . 20 LYS HB3 . 17596 1 216 . 1 1 20 20 LYS HG2 H 1 1.537 0.003 . 2 . . . . 20 LYS HG2 . 17596 1 217 . 1 1 20 20 LYS HG3 H 1 1.450 0.001 . 2 . . . . 20 LYS HG3 . 17596 1 218 . 1 1 20 20 LYS HD2 H 1 1.655 0.002 . 2 . . . . 20 LYS QD . 17596 1 219 . 1 1 20 20 LYS HD3 H 1 1.655 0.002 . 2 . . . . 20 LYS QD . 17596 1 220 . 1 1 20 20 LYS HE2 H 1 2.917 0.005 . 2 . . . . 20 LYS QE . 17596 1 221 . 1 1 20 20 LYS HE3 H 1 2.917 0.005 . 2 . . . . 20 LYS QE . 17596 1 222 . 1 1 20 20 LYS C C 13 178.921 0.020 . 1 . . . . 20 LYS C . 17596 1 223 . 1 1 20 20 LYS CA C 13 56.220 0.053 . 1 . . . . 20 LYS CA . 17596 1 224 . 1 1 20 20 LYS CB C 13 29.792 0.146 . 1 . . . . 20 LYS CB . 17596 1 225 . 1 1 20 20 LYS CG C 13 22.610 0.126 . 1 . . . . 20 LYS CG . 17596 1 226 . 1 1 20 20 LYS CD C 13 26.445 0.075 . 1 . . . . 20 LYS CD . 17596 1 227 . 1 1 20 20 LYS CE C 13 39.337 0.093 . 1 . . . . 20 LYS CE . 17596 1 228 . 1 1 20 20 LYS N N 15 116.689 0.044 . 1 . . . . 20 LYS N . 17596 1 229 . 1 1 21 21 GLN H H 1 7.791 0.006 . 1 . . . . 21 GLN HN . 17596 1 230 . 1 1 21 21 GLN HA H 1 3.991 0.009 . 1 . . . . 21 GLN HA . 17596 1 231 . 1 1 21 21 GLN HB2 H 1 2.313 0.009 . 2 . . . . 21 GLN HB2 . 17596 1 232 . 1 1 21 21 GLN HB3 H 1 2.117 0.006 . 2 . . . . 21 GLN HB3 . 17596 1 233 . 1 1 21 21 GLN HG2 H 1 2.507 0.005 . 2 . . . . 21 GLN HG2 . 17596 1 234 . 1 1 21 21 GLN HG3 H 1 2.129 0.005 . 2 . . . . 21 GLN HG3 . 17596 1 235 . 1 1 21 21 GLN HE21 H 1 7.399 0.003 . 2 . . . . 21 GLN HE21 . 17596 1 236 . 1 1 21 21 GLN HE22 H 1 6.573 0.008 . 2 . . . . 21 GLN HE22 . 17596 1 237 . 1 1 21 21 GLN C C 13 177.219 0.020 . 1 . . . . 21 GLN C . 17596 1 238 . 1 1 21 21 GLN CA C 13 56.283 0.052 . 1 . . . . 21 GLN CA . 17596 1 239 . 1 1 21 21 GLN CB C 13 27.083 0.052 . 1 . . . . 21 GLN CB . 17596 1 240 . 1 1 21 21 GLN CG C 13 32.368 0.066 . 1 . . . . 21 GLN CG . 17596 1 241 . 1 1 21 21 GLN N N 15 120.806 0.029 . 1 . . . . 21 GLN N . 17596 1 242 . 1 1 21 21 GLN NE2 N 15 109.565 0.058 . 1 . . . . 21 GLN NE2 . 17596 1 243 . 1 1 22 22 ALA H H 1 7.818 0.010 . 1 . . . . 22 ALA HN . 17596 1 244 . 1 1 22 22 ALA HA H 1 4.046 0.016 . 1 . . . . 22 ALA HA . 17596 1 245 . 1 1 22 22 ALA HB1 H 1 1.008 0.007 . 1 . . . . 22 ALA QB . 17596 1 246 . 1 1 22 22 ALA HB2 H 1 1.008 0.007 . 1 . . . . 22 ALA QB . 17596 1 247 . 1 1 22 22 ALA HB3 H 1 1.008 0.007 . 1 . . . . 22 ALA QB . 17596 1 248 . 1 1 22 22 ALA C C 13 178.072 0.011 . 1 . . . . 22 ALA C . 17596 1 249 . 1 1 22 22 ALA CA C 13 49.736 0.093 . 1 . . . . 22 ALA CA . 17596 1 250 . 1 1 22 22 ALA CB C 13 16.355 0.051 . 1 . . . . 22 ALA CB . 17596 1 251 . 1 1 22 22 ALA N N 15 118.242 0.034 . 1 . . . . 22 ALA N . 17596 1 252 . 1 1 23 23 GLU H H 1 7.459 0.006 . 1 . . . . 23 GLU HN . 17596 1 253 . 1 1 23 23 GLU HA H 1 4.040 0.019 . 1 . . . . 23 GLU HA . 17596 1 254 . 1 1 23 23 GLU HB2 H 1 2.176 0.015 . 2 . . . . 23 GLU HB2 . 17596 1 255 . 1 1 23 23 GLU HB3 H 1 2.043 0.018 . 2 . . . . 23 GLU HB3 . 17596 1 256 . 1 1 23 23 GLU HG2 H 1 2.374 0.024 . 2 . . . . 23 GLU HG2 . 17596 1 257 . 1 1 23 23 GLU HG3 H 1 2.290 0.019 . 2 . . . . 23 GLU HG3 . 17596 1 258 . 1 1 23 23 GLU C C 13 177.235 0.033 . 1 . . . . 23 GLU C . 17596 1 259 . 1 1 23 23 GLU CA C 13 55.934 0.101 . 1 . . . . 23 GLU CA . 17596 1 260 . 1 1 23 23 GLU CB C 13 26.939 0.190 . 1 . . . . 23 GLU CB . 17596 1 261 . 1 1 23 23 GLU CG C 13 33.792 0.238 . 1 . . . . 23 GLU CG . 17596 1 262 . 1 1 23 23 GLU N N 15 120.353 0.130 . 1 . . . . 23 GLU N . 17596 1 263 . 1 1 24 24 GLY H H 1 8.487 0.005 . 1 . . . . 24 GLY HN . 17596 1 264 . 1 1 24 24 GLY HA2 H 1 4.059 0.004 . 2 . . . . 24 GLY HA1 . 17596 1 265 . 1 1 24 24 GLY HA3 H 1 3.937 0.002 . 2 . . . . 24 GLY HA2 . 17596 1 266 . 1 1 24 24 GLY C C 13 174.468 0.027 . 1 . . . . 24 GLY C . 17596 1 267 . 1 1 24 24 GLY CA C 13 42.989 0.068 . 1 . . . . 24 GLY CA . 17596 1 268 . 1 1 24 24 GLY N N 15 110.096 0.043 . 1 . . . . 24 GLY N . 17596 1 269 . 1 1 25 25 THR H H 1 7.719 0.003 . 1 . . . . 25 THR HN . 17596 1 270 . 1 1 25 25 THR HA H 1 4.629 0.004 . 1 . . . . 25 THR HA . 17596 1 271 . 1 1 25 25 THR HB H 1 4.188 0.004 . 1 . . . . 25 THR HB . 17596 1 272 . 1 1 25 25 THR HG21 H 1 1.124 0.003 . 1 . . . . 25 THR QG2 . 17596 1 273 . 1 1 25 25 THR HG22 H 1 1.124 0.003 . 1 . . . . 25 THR QG2 . 17596 1 274 . 1 1 25 25 THR HG23 H 1 1.124 0.003 . 1 . . . . 25 THR QG2 . 17596 1 275 . 1 1 25 25 THR C C 13 175.287 0.000 . 1 . . . . 25 THR C . 17596 1 276 . 1 1 25 25 THR CA C 13 58.626 0.046 . 1 . . . . 25 THR CA . 17596 1 277 . 1 1 25 25 THR CB C 13 68.404 0.228 . 1 . . . . 25 THR CB . 17596 1 278 . 1 1 25 25 THR N N 15 112.895 0.032 . 1 . . . . 25 THR N . 17596 1 279 . 1 1 26 26 THR HG21 H 1 0.893 0.000 . 1 . . . . 26 THR QG2 . 17596 1 280 . 1 1 26 26 THR HG22 H 1 0.893 0.000 . 1 . . . . 26 THR QG2 . 17596 1 281 . 1 1 26 26 THR HG23 H 1 0.893 0.000 . 1 . . . . 26 THR QG2 . 17596 1 282 . 1 1 27 27 CYS H H 1 8.483 0.004 . 1 . . . . 27 CYS HN . 17596 1 283 . 1 1 27 27 CYS HA H 1 4.746 0.011 . 1 . . . . 27 CYS HA . 17596 1 284 . 1 1 27 27 CYS HB2 H 1 3.042 0.007 . 2 . . . . 27 CYS HB2 . 17596 1 285 . 1 1 27 27 CYS HB3 H 1 2.798 0.013 . 2 . . . . 27 CYS HB3 . 17596 1 286 . 1 1 27 27 CYS C C 13 175.104 0.000 . 1 . . . . 27 CYS C . 17596 1 287 . 1 1 27 27 CYS CA C 13 50.925 0.025 . 1 . . . . 27 CYS CA . 17596 1 288 . 1 1 27 27 CYS CB C 13 36.597 0.037 . 1 . . . . 27 CYS CB . 17596 1 289 . 1 1 27 27 CYS N N 15 121.274 0.028 . 1 . . . . 27 CYS N . 17596 1 290 . 1 1 28 28 ASN H H 1 8.632 0.006 . 1 . . . . 28 ASN HN . 17596 1 291 . 1 1 28 28 ASN HA H 1 4.587 0.006 . 1 . . . . 28 ASN HA . 17596 1 292 . 1 1 28 28 ASN HB2 H 1 2.829 0.005 . 2 . . . . 28 ASN HB2 . 17596 1 293 . 1 1 28 28 ASN HB3 H 1 2.753 0.003 . 2 . . . . 28 ASN HB3 . 17596 1 294 . 1 1 28 28 ASN HD21 H 1 7.791 0.005 . 2 . . . . 28 ASN HD21 . 17596 1 295 . 1 1 28 28 ASN HD22 H 1 7.100 0.000 . 2 . . . . 28 ASN HD22 . 17596 1 296 . 1 1 28 28 ASN CA C 13 51.669 0.049 . 1 . . . . 28 ASN CA . 17596 1 297 . 1 1 28 28 ASN CB C 13 36.797 0.014 . 1 . . . . 28 ASN CB . 17596 1 298 . 1 1 28 28 ASN N N 15 125.373 0.018 . 1 . . . . 28 ASN N . 17596 1 299 . 1 1 28 28 ASN ND2 N 15 114.194 0.000 . 1 . . . . 28 ASN ND2 . 17596 1 300 . 1 1 29 29 VAL HA H 1 3.844 0.006 . 1 . . . . 29 VAL HA . 17596 1 301 . 1 1 29 29 VAL HB H 1 2.111 0.004 . 1 . . . . 29 VAL HB . 17596 1 302 . 1 1 29 29 VAL HG11 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 1 303 . 1 1 29 29 VAL HG12 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 1 304 . 1 1 29 29 VAL HG13 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 1 305 . 1 1 29 29 VAL HG21 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 1 306 . 1 1 29 29 VAL HG22 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 1 307 . 1 1 29 29 VAL HG23 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 1 308 . 1 1 29 29 VAL CA C 13 62.420 0.128 . 1 . . . . 29 VAL CA . 17596 1 309 . 1 1 29 29 VAL CB C 13 29.437 0.074 . 1 . . . . 29 VAL CB . 17596 1 310 . 1 1 29 29 VAL CG1 C 13 19.002 0.140 . 2 . . . . 29 VAL CG1 . 17596 1 311 . 1 1 29 29 VAL CG2 C 13 18.413 0.037 . 2 . . . . 29 VAL CG2 . 17596 1 312 . 1 1 30 30 GLY HA2 H 1 4.111 0.000 . 2 . . . . 30 GLY QA . 17596 1 313 . 1 1 30 30 GLY HA3 H 1 4.111 0.000 . 2 . . . . 30 GLY QA . 17596 1 314 . 1 1 31 31 SER HA H 1 4.689 0.001 . 1 . . . . 31 SER HA . 17596 1 315 . 1 1 31 31 SER HB2 H 1 4.005 0.001 . 2 . . . . 31 SER QB . 17596 1 316 . 1 1 31 31 SER HB3 H 1 4.005 0.001 . 2 . . . . 31 SER QB . 17596 1 317 . 1 1 32 32 ILE H H 1 8.236 0.005 . 1 . . . . 32 ILE HN . 17596 1 318 . 1 1 32 32 ILE HA H 1 4.734 0.009 . 1 . . . . 32 ILE HA . 17596 1 319 . 1 1 32 32 ILE HB H 1 1.905 0.006 . 1 . . . . 32 ILE HB . 17596 1 320 . 1 1 32 32 ILE HG12 H 1 1.625 0.005 . 2 . . . . 32 ILE HG12 . 17596 1 321 . 1 1 32 32 ILE HG13 H 1 1.205 0.006 . 2 . . . . 32 ILE HG13 . 17596 1 322 . 1 1 32 32 ILE HG21 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 1 323 . 1 1 32 32 ILE HG22 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 1 324 . 1 1 32 32 ILE HG23 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 1 325 . 1 1 32 32 ILE HD11 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 1 326 . 1 1 32 32 ILE HD12 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 1 327 . 1 1 32 32 ILE HD13 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 1 328 . 1 1 32 32 ILE C C 13 174.848 0.016 . 1 . . . . 32 ILE C . 17596 1 329 . 1 1 32 32 ILE CA C 13 58.822 0.050 . 1 . . . . 32 ILE CA . 17596 1 330 . 1 1 32 32 ILE CB C 13 35.534 0.101 . 1 . . . . 32 ILE CB . 17596 1 331 . 1 1 32 32 ILE CG1 C 13 26.302 0.071 . 1 . . . . 32 ILE CG1 . 17596 1 332 . 1 1 32 32 ILE CG2 C 13 16.312 0.058 . 1 . . . . 32 ILE CG2 . 17596 1 333 . 1 1 32 32 ILE CD1 C 13 10.687 0.122 . 1 . . . . 32 ILE CD1 . 17596 1 334 . 1 1 32 32 ILE N N 15 115.138 0.146 . 1 . . . . 32 ILE N . 17596 1 335 . 1 1 33 33 ALA H H 1 9.172 0.005 . 1 . . . . 33 ALA HN . 17596 1 336 . 1 1 33 33 ALA HA H 1 5.020 0.007 . 1 . . . . 33 ALA HA . 17596 1 337 . 1 1 33 33 ALA HB1 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 1 338 . 1 1 33 33 ALA HB2 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 1 339 . 1 1 33 33 ALA HB3 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 1 340 . 1 1 33 33 ALA C C 13 175.086 0.034 . 1 . . . . 33 ALA C . 17596 1 341 . 1 1 33 33 ALA CA C 13 48.193 0.057 . 1 . . . . 33 ALA CA . 17596 1 342 . 1 1 33 33 ALA CB C 13 23.820 0.043 . 1 . . . . 33 ALA CB . 17596 1 343 . 1 1 33 33 ALA N N 15 129.673 0.031 . 1 . . . . 33 ALA N . 17596 1 344 . 1 1 34 34 CYS H H 1 7.933 0.007 . 1 . . . . 34 CYS HN . 17596 1 345 . 1 1 34 34 CYS HA H 1 5.970 0.004 . 1 . . . . 34 CYS HA . 17596 1 346 . 1 1 34 34 CYS HB2 H 1 3.785 0.009 . 2 . . . . 34 CYS HB2 . 17596 1 347 . 1 1 34 34 CYS HB3 H 1 2.380 0.008 . 2 . . . . 34 CYS HB3 . 17596 1 348 . 1 1 34 34 CYS C C 13 175.639 0.070 . 1 . . . . 34 CYS C . 17596 1 349 . 1 1 34 34 CYS CA C 13 48.542 0.028 . 1 . . . . 34 CYS CA . 17596 1 350 . 1 1 34 34 CYS CB C 13 35.081 0.093 . 1 . . . . 34 CYS CB . 17596 1 351 . 1 1 34 34 CYS N N 15 113.858 0.130 . 1 . . . . 34 CYS N . 17596 1 352 . 1 1 35 35 CYS H H 1 9.428 0.006 . 1 . . . . 35 CYS HN . 17596 1 353 . 1 1 35 35 CYS HA H 1 6.022 0.009 . 1 . . . . 35 CYS HA . 17596 1 354 . 1 1 35 35 CYS HB2 H 1 2.919 0.007 . 2 . . . . 35 CYS HB2 . 17596 1 355 . 1 1 35 35 CYS HB3 H 1 2.607 0.005 . 2 . . . . 35 CYS HB3 . 17596 1 356 . 1 1 35 35 CYS C C 13 173.312 0.003 . 1 . . . . 35 CYS C . 17596 1 357 . 1 1 35 35 CYS CA C 13 52.285 0.041 . 1 . . . . 35 CYS CA . 17596 1 358 . 1 1 35 35 CYS CB C 13 47.488 0.061 . 1 . . . . 35 CYS CB . 17596 1 359 . 1 1 35 35 CYS N N 15 118.605 0.023 . 1 . . . . 35 CYS N . 17596 1 360 . 1 1 36 36 ASN H H 1 8.357 0.015 . 1 . . . . 36 ASN HN . 17596 1 361 . 1 1 36 36 ASN HA H 1 5.378 0.006 . 1 . . . . 36 ASN HA . 17596 1 362 . 1 1 36 36 ASN HB2 H 1 2.724 0.010 . 2 . . . . 36 ASN HB2 . 17596 1 363 . 1 1 36 36 ASN HB3 H 1 2.531 0.009 . 2 . . . . 36 ASN HB3 . 17596 1 364 . 1 1 36 36 ASN C C 13 175.100 0.001 . 1 . . . . 36 ASN C . 17596 1 365 . 1 1 36 36 ASN CA C 13 47.801 0.071 . 1 . . . . 36 ASN CA . 17596 1 366 . 1 1 36 36 ASN CB C 13 38.728 0.045 . 1 . . . . 36 ASN CB . 17596 1 367 . 1 1 36 36 ASN N N 15 121.706 0.095 . 1 . . . . 36 ASN N . 17596 1 368 . 1 1 37 37 SER H H 1 8.928 0.022 . 1 . . . . 37 SER HN . 17596 1 369 . 1 1 37 37 SER HA H 1 4.381 0.009 . 1 . . . . 37 SER HA . 17596 1 370 . 1 1 37 37 SER HB2 H 1 4.249 0.008 . 2 . . . . 37 SER HB2 . 17596 1 371 . 1 1 37 37 SER HB3 H 1 3.912 0.015 . 2 . . . . 37 SER HB3 . 17596 1 372 . 1 1 37 37 SER C C 13 173.315 0.000 . 1 . . . . 37 SER C . 17596 1 373 . 1 1 37 37 SER CA C 13 54.740 0.068 . 1 . . . . 37 SER CA . 17596 1 374 . 1 1 37 37 SER CB C 13 59.663 0.124 . 1 . . . . 37 SER CB . 17596 1 375 . 1 1 37 37 SER N N 15 116.566 0.042 . 1 . . . . 37 SER N . 17596 1 376 . 1 1 38 38 PRO HA H 1 4.096 0.006 . 1 . . . . 38 PRO HA . 17596 1 377 . 1 1 38 38 PRO HB2 H 1 2.312 0.011 . 2 . . . . 38 PRO HB2 . 17596 1 378 . 1 1 38 38 PRO HB3 H 1 1.940 0.002 . 2 . . . . 38 PRO HB3 . 17596 1 379 . 1 1 38 38 PRO HG2 H 1 2.155 0.008 . 2 . . . . 38 PRO HG2 . 17596 1 380 . 1 1 38 38 PRO HG3 H 1 1.739 0.000 . 2 . . . . 38 PRO HG3 . 17596 1 381 . 1 1 38 38 PRO HD2 H 1 3.693 0.004 . 2 . . . . 38 PRO QD . 17596 1 382 . 1 1 38 38 PRO HD3 H 1 3.693 0.004 . 2 . . . . 38 PRO QD . 17596 1 383 . 1 1 38 38 PRO C C 13 178.596 0.000 . 1 . . . . 38 PRO C . 17596 1 384 . 1 1 38 38 PRO CA C 13 63.747 0.122 . 1 . . . . 38 PRO CA . 17596 1 385 . 1 1 38 38 PRO CB C 13 29.158 0.148 . 1 . . . . 38 PRO CB . 17596 1 386 . 1 1 38 38 PRO CG C 13 26.284 0.050 . 1 . . . . 38 PRO CG . 17596 1 387 . 1 1 38 38 PRO CD C 13 48.020 0.113 . 1 . . . . 38 PRO CD . 17596 1 388 . 1 1 39 39 ALA H H 1 8.168 0.004 . 1 . . . . 39 ALA HN . 17596 1 389 . 1 1 39 39 ALA HA H 1 4.074 0.015 . 1 . . . . 39 ALA HA . 17596 1 390 . 1 1 39 39 ALA HB1 H 1 1.355 0.007 . 1 . . . . 39 ALA QB . 17596 1 391 . 1 1 39 39 ALA HB2 H 1 1.355 0.007 . 1 . . . . 39 ALA QB . 17596 1 392 . 1 1 39 39 ALA HB3 H 1 1.355 0.007 . 1 . . . . 39 ALA QB . 17596 1 393 . 1 1 39 39 ALA C C 13 179.967 0.031 . 1 . . . . 39 ALA C . 17596 1 394 . 1 1 39 39 ALA CA C 13 52.644 0.089 . 1 . . . . 39 ALA CA . 17596 1 395 . 1 1 39 39 ALA CB C 13 16.024 0.107 . 1 . . . . 39 ALA CB . 17596 1 396 . 1 1 39 39 ALA N N 15 118.766 0.045 . 1 . . . . 39 ALA N . 17596 1 397 . 1 1 40 40 GLU H H 1 7.417 0.004 . 1 . . . . 40 GLU HN . 17596 1 398 . 1 1 40 40 GLU HA H 1 4.210 0.020 . 1 . . . . 40 GLU HA . 17596 1 399 . 1 1 40 40 GLU HB2 H 1 2.132 0.009 . 2 . . . . 40 GLU HB2 . 17596 1 400 . 1 1 40 40 GLU HB3 H 1 1.948 0.009 . 2 . . . . 40 GLU HB3 . 17596 1 401 . 1 1 40 40 GLU HG2 H 1 2.265 0.006 . 2 . . . . 40 GLU HG2 . 17596 1 402 . 1 1 40 40 GLU HG3 H 1 2.200 0.004 . 2 . . . . 40 GLU HG3 . 17596 1 403 . 1 1 40 40 GLU C C 13 178.534 0.011 . 1 . . . . 40 GLU C . 17596 1 404 . 1 1 40 40 GLU CA C 13 55.366 0.055 . 1 . . . . 40 GLU CA . 17596 1 405 . 1 1 40 40 GLU CB C 13 27.083 0.122 . 1 . . . . 40 GLU CB . 17596 1 406 . 1 1 40 40 GLU CG C 13 34.070 0.006 . 1 . . . . 40 GLU CG . 17596 1 407 . 1 1 40 40 GLU N N 15 115.698 0.038 . 1 . . . . 40 GLU N . 17596 1 408 . 1 1 41 41 THR H H 1 8.317 0.003 . 1 . . . . 41 THR HN . 17596 1 409 . 1 1 41 41 THR HA H 1 3.934 0.011 . 1 . . . . 41 THR HA . 17596 1 410 . 1 1 41 41 THR HB H 1 4.340 0.014 . 1 . . . . 41 THR HB . 17596 1 411 . 1 1 41 41 THR HG21 H 1 1.069 0.007 . 1 . . . . 41 THR QG2 . 17596 1 412 . 1 1 41 41 THR HG22 H 1 1.069 0.007 . 1 . . . . 41 THR QG2 . 17596 1 413 . 1 1 41 41 THR HG23 H 1 1.069 0.007 . 1 . . . . 41 THR QG2 . 17596 1 414 . 1 1 41 41 THR C C 13 175.395 0.067 . 1 . . . . 41 THR C . 17596 1 415 . 1 1 41 41 THR CA C 13 64.692 0.064 . 1 . . . . 41 THR CA . 17596 1 416 . 1 1 41 41 THR CB C 13 66.608 0.110 . 1 . . . . 41 THR CB . 17596 1 417 . 1 1 41 41 THR CG2 C 13 19.113 0.063 . 1 . . . . 41 THR CG2 . 17596 1 418 . 1 1 41 41 THR N N 15 119.642 0.058 . 1 . . . . 41 THR N . 17596 1 419 . 1 1 42 42 ASN H H 1 8.165 0.003 . 1 . . . . 42 ASN HN . 17596 1 420 . 1 1 42 42 ASN HA H 1 4.380 0.011 . 1 . . . . 42 ASN HA . 17596 1 421 . 1 1 42 42 ASN HB2 H 1 2.773 0.006 . 2 . . . . 42 ASN HB2 . 17596 1 422 . 1 1 42 42 ASN HB3 H 1 2.728 0.004 . 2 . . . . 42 ASN HB3 . 17596 1 423 . 1 1 42 42 ASN HD21 H 1 7.535 0.002 . 2 . . . . 42 ASN HD21 . 17596 1 424 . 1 1 42 42 ASN HD22 H 1 6.858 0.007 . 2 . . . . 42 ASN HD22 . 17596 1 425 . 1 1 42 42 ASN C C 13 175.881 0.044 . 1 . . . . 42 ASN C . 17596 1 426 . 1 1 42 42 ASN CA C 13 52.966 0.078 . 1 . . . . 42 ASN CA . 17596 1 427 . 1 1 42 42 ASN CB C 13 36.259 0.047 . 1 . . . . 42 ASN CB . 17596 1 428 . 1 1 42 42 ASN N N 15 117.108 0.032 . 1 . . . . 42 ASN N . 17596 1 429 . 1 1 42 42 ASN ND2 N 15 112.544 0.204 . 1 . . . . 42 ASN ND2 . 17596 1 430 . 1 1 43 43 ASN H H 1 7.487 0.006 . 1 . . . . 43 ASN HN . 17596 1 431 . 1 1 43 43 ASN HA H 1 4.679 0.011 . 1 . . . . 43 ASN HA . 17596 1 432 . 1 1 43 43 ASN HB2 H 1 2.908 0.007 . 2 . . . . 43 ASN HB2 . 17596 1 433 . 1 1 43 43 ASN HB3 H 1 2.817 0.006 . 2 . . . . 43 ASN HB3 . 17596 1 434 . 1 1 43 43 ASN HD21 H 1 7.509 0.001 . 2 . . . . 43 ASN HD21 . 17596 1 435 . 1 1 43 43 ASN HD22 H 1 6.787 0.006 . 2 . . . . 43 ASN HD22 . 17596 1 436 . 1 1 43 43 ASN C C 13 173.925 0.033 . 1 . . . . 43 ASN C . 17596 1 437 . 1 1 43 43 ASN CA C 13 50.717 0.052 . 1 . . . . 43 ASN CA . 17596 1 438 . 1 1 43 43 ASN CB C 13 36.363 0.058 . 1 . . . . 43 ASN CB . 17596 1 439 . 1 1 43 43 ASN N N 15 114.601 0.077 . 1 . . . . 43 ASN N . 17596 1 440 . 1 1 43 43 ASN ND2 N 15 111.293 0.240 . 1 . . . . 43 ASN ND2 . 17596 1 441 . 1 1 44 44 ASP H H 1 7.699 0.007 . 1 . . . . 44 ASP HN . 17596 1 442 . 1 1 44 44 ASP HA H 1 4.962 0.011 . 1 . . . . 44 ASP HA . 17596 1 443 . 1 1 44 44 ASP HB2 H 1 2.918 0.015 . 2 . . . . 44 ASP HB2 . 17596 1 444 . 1 1 44 44 ASP HB3 H 1 2.406 0.009 . 2 . . . . 44 ASP HB3 . 17596 1 445 . 1 1 44 44 ASP C C 13 175.607 0.011 . 1 . . . . 44 ASP C . 17596 1 446 . 1 1 44 44 ASP CA C 13 51.044 0.061 . 1 . . . . 44 ASP CA . 17596 1 447 . 1 1 44 44 ASP CB C 13 42.218 0.100 . 1 . . . . 44 ASP CB . 17596 1 448 . 1 1 44 44 ASP N N 15 121.583 0.034 . 1 . . . . 44 ASP N . 17596 1 449 . 1 1 45 45 SER H H 1 9.003 0.005 . 1 . . . . 45 SER HN . 17596 1 450 . 1 1 45 45 SER HA H 1 4.125 0.011 . 1 . . . . 45 SER HA . 17596 1 451 . 1 1 45 45 SER HB2 H 1 3.928 0.009 . 2 . . . . 45 SER QB . 17596 1 452 . 1 1 45 45 SER HB3 H 1 3.928 0.009 . 2 . . . . 45 SER QB . 17596 1 453 . 1 1 45 45 SER C C 13 175.727 0.075 . 1 . . . . 45 SER C . 17596 1 454 . 1 1 45 45 SER CA C 13 59.401 0.011 . 1 . . . . 45 SER CA . 17596 1 455 . 1 1 45 45 SER CB C 13 60.275 0.072 . 1 . . . . 45 SER CB . 17596 1 456 . 1 1 45 45 SER N N 15 123.695 0.038 . 1 . . . . 45 SER N . 17596 1 457 . 1 1 46 46 LEU H H 1 8.040 0.004 . 1 . . . . 46 LEU HN . 17596 1 458 . 1 1 46 46 LEU HA H 1 4.319 0.009 . 1 . . . . 46 LEU HA . 17596 1 459 . 1 1 46 46 LEU HB2 H 1 1.966 0.009 . 2 . . . . 46 LEU HB2 . 17596 1 460 . 1 1 46 46 LEU HB3 H 1 1.664 0.004 . 2 . . . . 46 LEU HB3 . 17596 1 461 . 1 1 46 46 LEU HG H 1 1.446 0.004 . 1 . . . . 46 LEU HG . 17596 1 462 . 1 1 46 46 LEU HD11 H 1 0.935 0.004 . 2 . . . . 46 LEU QD1 . 17596 1 463 . 1 1 46 46 LEU HD12 H 1 0.935 0.004 . 2 . . . . 46 LEU QD1 . 17596 1 464 . 1 1 46 46 LEU HD13 H 1 0.935 0.004 . 2 . . . . 46 LEU QD1 . 17596 1 465 . 1 1 46 46 LEU HD21 H 1 0.964 0.001 . 2 . . . . 46 LEU QD2 . 17596 1 466 . 1 1 46 46 LEU HD22 H 1 0.964 0.001 . 2 . . . . 46 LEU QD2 . 17596 1 467 . 1 1 46 46 LEU HD23 H 1 0.964 0.001 . 2 . . . . 46 LEU QD2 . 17596 1 468 . 1 1 46 46 LEU C C 13 178.651 0.040 . 1 . . . . 46 LEU C . 17596 1 469 . 1 1 46 46 LEU CA C 13 55.641 0.187 . 1 . . . . 46 LEU CA . 17596 1 470 . 1 1 46 46 LEU CB C 13 39.066 0.087 . 1 . . . . 46 LEU CB . 17596 1 471 . 1 1 46 46 LEU CG C 13 24.980 0.086 . 1 . . . . 46 LEU CG . 17596 1 472 . 1 1 46 46 LEU CD1 C 13 23.503 0.022 . 2 . . . . 46 LEU CD1 . 17596 1 473 . 1 1 46 46 LEU CD2 C 13 21.197 0.000 . 2 . . . . 46 LEU CD2 . 17596 1 474 . 1 1 46 46 LEU N N 15 124.738 0.081 . 1 . . . . 46 LEU N . 17596 1 475 . 1 1 47 47 LEU H H 1 8.904 0.006 . 1 . . . . 47 LEU HN . 17596 1 476 . 1 1 47 47 LEU HA H 1 3.860 0.009 . 1 . . . . 47 LEU HA . 17596 1 477 . 1 1 47 47 LEU HB2 H 1 2.045 0.006 . 2 . . . . 47 LEU HB2 . 17596 1 478 . 1 1 47 47 LEU HB3 H 1 1.408 0.006 . 2 . . . . 47 LEU HB3 . 17596 1 479 . 1 1 47 47 LEU HG H 1 1.911 0.002 . 1 . . . . 47 LEU HG . 17596 1 480 . 1 1 47 47 LEU HD11 H 1 0.865 0.002 . 2 . . . . 47 LEU QD1 . 17596 1 481 . 1 1 47 47 LEU HD12 H 1 0.865 0.002 . 2 . . . . 47 LEU QD1 . 17596 1 482 . 1 1 47 47 LEU HD13 H 1 0.865 0.002 . 2 . . . . 47 LEU QD1 . 17596 1 483 . 1 1 47 47 LEU HD21 H 1 0.761 0.002 . 2 . . . . 47 LEU QD2 . 17596 1 484 . 1 1 47 47 LEU HD22 H 1 0.761 0.002 . 2 . . . . 47 LEU QD2 . 17596 1 485 . 1 1 47 47 LEU HD23 H 1 0.761 0.002 . 2 . . . . 47 LEU QD2 . 17596 1 486 . 1 1 47 47 LEU C C 13 179.128 0.055 . 1 . . . . 47 LEU C . 17596 1 487 . 1 1 47 47 LEU CA C 13 55.913 0.059 . 1 . . . . 47 LEU CA . 17596 1 488 . 1 1 47 47 LEU CB C 13 39.835 0.058 . 1 . . . . 47 LEU CB . 17596 1 489 . 1 1 47 47 LEU CG C 13 24.075 0.108 . 1 . . . . 47 LEU CG . 17596 1 490 . 1 1 47 47 LEU CD1 C 13 23.954 0.042 . 2 . . . . 47 LEU CD1 . 17596 1 491 . 1 1 47 47 LEU CD2 C 13 21.419 0.087 . 2 . . . . 47 LEU CD2 . 17596 1 492 . 1 1 47 47 LEU N N 15 119.264 0.018 . 1 . . . . 47 LEU N . 17596 1 493 . 1 1 48 48 SER H H 1 8.455 0.006 . 1 . . . . 48 SER HN . 17596 1 494 . 1 1 48 48 SER HA H 1 3.895 0.006 . 1 . . . . 48 SER HA . 17596 1 495 . 1 1 48 48 SER HB2 H 1 4.003 0.007 . 2 . . . . 48 SER QB . 17596 1 496 . 1 1 48 48 SER HB3 H 1 4.003 0.007 . 2 . . . . 48 SER QB . 17596 1 497 . 1 1 48 48 SER C C 13 178.549 0.000 . 1 . . . . 48 SER C . 17596 1 498 . 1 1 48 48 SER CA C 13 59.672 0.062 . 1 . . . . 48 SER CA . 17596 1 499 . 1 1 48 48 SER CB C 13 60.401 0.136 . 1 . . . . 48 SER CB . 17596 1 500 . 1 1 48 48 SER N N 15 111.723 0.028 . 1 . . . . 48 SER N . 17596 1 501 . 1 1 49 49 GLY H H 1 8.106 0.009 . 1 . . . . 49 GLY HN . 17596 1 502 . 1 1 49 49 GLY HA2 H 1 3.932 0.012 . 2 . . . . 49 GLY QA . 17596 1 503 . 1 1 49 49 GLY HA3 H 1 3.932 0.012 . 2 . . . . 49 GLY QA . 17596 1 504 . 1 1 49 49 GLY C C 13 176.449 0.011 . 1 . . . . 49 GLY C . 17596 1 505 . 1 1 49 49 GLY CA C 13 44.588 0.006 . 1 . . . . 49 GLY CA . 17596 1 506 . 1 1 49 49 GLY N N 15 112.111 0.036 . 1 . . . . 49 GLY N . 17596 1 507 . 1 1 50 50 LEU H H 1 8.531 0.006 . 1 . . . . 50 LEU HN . 17596 1 508 . 1 1 50 50 LEU HA H 1 4.068 0.010 . 1 . . . . 50 LEU HA . 17596 1 509 . 1 1 50 50 LEU HB2 H 1 1.987 0.006 . 2 . . . . 50 LEU HB2 . 17596 1 510 . 1 1 50 50 LEU HB3 H 1 1.230 0.010 . 2 . . . . 50 LEU HB3 . 17596 1 511 . 1 1 50 50 LEU HG H 1 1.994 0.002 . 1 . . . . 50 LEU HG . 17596 1 512 . 1 1 50 50 LEU HD11 H 1 0.758 0.002 . 2 . . . . 50 LEU QD1 . 17596 1 513 . 1 1 50 50 LEU HD12 H 1 0.758 0.002 . 2 . . . . 50 LEU QD1 . 17596 1 514 . 1 1 50 50 LEU HD13 H 1 0.758 0.002 . 2 . . . . 50 LEU QD1 . 17596 1 515 . 1 1 50 50 LEU HD21 H 1 0.801 0.001 . 2 . . . . 50 LEU QD2 . 17596 1 516 . 1 1 50 50 LEU HD22 H 1 0.801 0.001 . 2 . . . . 50 LEU QD2 . 17596 1 517 . 1 1 50 50 LEU HD23 H 1 0.801 0.001 . 2 . . . . 50 LEU QD2 . 17596 1 518 . 1 1 50 50 LEU C C 13 179.525 0.014 . 1 . . . . 50 LEU C . 17596 1 519 . 1 1 50 50 LEU CA C 13 55.577 0.049 . 1 . . . . 50 LEU CA . 17596 1 520 . 1 1 50 50 LEU CB C 13 39.453 0.047 . 1 . . . . 50 LEU CB . 17596 1 521 . 1 1 50 50 LEU CG C 13 24.220 0.038 . 1 . . . . 50 LEU CG . 17596 1 522 . 1 1 50 50 LEU CD1 C 13 24.674 0.053 . 2 . . . . 50 LEU CD1 . 17596 1 523 . 1 1 50 50 LEU CD2 C 13 20.881 0.024 . 2 . . . . 50 LEU CD2 . 17596 1 524 . 1 1 50 50 LEU N N 15 122.626 0.019 . 1 . . . . 50 LEU N . 17596 1 525 . 1 1 51 51 LEU H H 1 8.371 0.003 . 1 . . . . 51 LEU HN . 17596 1 526 . 1 1 51 51 LEU HA H 1 4.147 0.004 . 1 . . . . 51 LEU HA . 17596 1 527 . 1 1 51 51 LEU HB2 H 1 1.949 0.002 . 2 . . . . 51 LEU HB2 . 17596 1 528 . 1 1 51 51 LEU HB3 H 1 1.432 0.002 . 2 . . . . 51 LEU HB3 . 17596 1 529 . 1 1 51 51 LEU HG H 1 1.490 0.005 . 1 . . . . 51 LEU HG . 17596 1 530 . 1 1 51 51 LEU HD11 H 1 0.768 0.003 . 2 . . . . 51 LEU QD1 . 17596 1 531 . 1 1 51 51 LEU HD12 H 1 0.768 0.003 . 2 . . . . 51 LEU QD1 . 17596 1 532 . 1 1 51 51 LEU HD13 H 1 0.768 0.003 . 2 . . . . 51 LEU QD1 . 17596 1 533 . 1 1 51 51 LEU HD21 H 1 0.831 0.004 . 2 . . . . 51 LEU QD2 . 17596 1 534 . 1 1 51 51 LEU HD22 H 1 0.831 0.004 . 2 . . . . 51 LEU QD2 . 17596 1 535 . 1 1 51 51 LEU HD23 H 1 0.831 0.004 . 2 . . . . 51 LEU QD2 . 17596 1 536 . 1 1 51 51 LEU C C 13 181.240 0.040 . 1 . . . . 51 LEU C . 17596 1 537 . 1 1 51 51 LEU CA C 13 56.021 0.090 . 1 . . . . 51 LEU CA . 17596 1 538 . 1 1 51 51 LEU CB C 13 40.005 0.085 . 1 . . . . 51 LEU CB . 17596 1 539 . 1 1 51 51 LEU CG C 13 24.374 0.146 . 1 . . . . 51 LEU CG . 17596 1 540 . 1 1 51 51 LEU CD1 C 13 23.626 0.071 . 2 . . . . 51 LEU CD1 . 17596 1 541 . 1 1 51 51 LEU CD2 C 13 20.731 0.204 . 2 . . . . 51 LEU CD2 . 17596 1 542 . 1 1 51 51 LEU N N 15 121.198 0.074 . 1 . . . . 51 LEU N . 17596 1 543 . 1 1 52 52 GLY H H 1 8.383 0.005 . 1 . . . . 52 GLY HN . 17596 1 544 . 1 1 52 52 GLY HA2 H 1 3.985 0.007 . 2 . . . . 52 GLY HA1 . 17596 1 545 . 1 1 52 52 GLY HA3 H 1 3.879 0.007 . 2 . . . . 52 GLY HA2 . 17596 1 546 . 1 1 52 52 GLY C C 13 174.993 0.012 . 1 . . . . 52 GLY C . 17596 1 547 . 1 1 52 52 GLY CA C 13 44.546 0.015 . 1 . . . . 52 GLY CA . 17596 1 548 . 1 1 52 52 GLY N N 15 108.426 0.012 . 1 . . . . 52 GLY N . 17596 1 549 . 1 1 53 53 ALA H H 1 7.621 0.005 . 1 . . . . 53 ALA HN . 17596 1 550 . 1 1 53 53 ALA HA H 1 4.453 0.009 . 1 . . . . 53 ALA HA . 17596 1 551 . 1 1 53 53 ALA HB1 H 1 1.479 0.005 . 1 . . . . 53 ALA QB . 17596 1 552 . 1 1 53 53 ALA HB2 H 1 1.479 0.005 . 1 . . . . 53 ALA QB . 17596 1 553 . 1 1 53 53 ALA HB3 H 1 1.479 0.005 . 1 . . . . 53 ALA QB . 17596 1 554 . 1 1 53 53 ALA C C 13 177.563 0.019 . 1 . . . . 53 ALA C . 17596 1 555 . 1 1 53 53 ALA CA C 13 49.417 0.099 . 1 . . . . 53 ALA CA . 17596 1 556 . 1 1 53 53 ALA CB C 13 17.121 0.084 . 1 . . . . 53 ALA CB . 17596 1 557 . 1 1 53 53 ALA N N 15 120.197 0.022 . 1 . . . . 53 ALA N . 17596 1 558 . 1 1 54 54 GLY H H 1 7.997 0.003 . 1 . . . . 54 GLY HN . 17596 1 559 . 1 1 54 54 GLY HA2 H 1 4.160 0.006 . 2 . . . . 54 GLY HA1 . 17596 1 560 . 1 1 54 54 GLY HA3 H 1 3.996 0.011 . 2 . . . . 54 GLY HA2 . 17596 1 561 . 1 1 54 54 GLY C C 13 174.896 0.029 . 1 . . . . 54 GLY C . 17596 1 562 . 1 1 54 54 GLY CA C 13 43.251 0.095 . 1 . . . . 54 GLY CA . 17596 1 563 . 1 1 54 54 GLY N N 15 106.795 0.037 . 1 . . . . 54 GLY N . 17596 1 564 . 1 1 55 55 LEU H H 1 7.918 0.003 . 1 . . . . 55 LEU HN . 17596 1 565 . 1 1 55 55 LEU HA H 1 4.374 0.008 . 1 . . . . 55 LEU HA . 17596 1 566 . 1 1 55 55 LEU HB2 H 1 1.638 0.010 . 2 . . . . 55 LEU QB . 17596 1 567 . 1 1 55 55 LEU HB3 H 1 1.638 0.010 . 2 . . . . 55 LEU QB . 17596 1 568 . 1 1 55 55 LEU HG H 1 1.715 0.007 . 1 . . . . 55 LEU HG . 17596 1 569 . 1 1 55 55 LEU HD11 H 1 0.805 0.001 . 2 . . . . 55 LEU QD1 . 17596 1 570 . 1 1 55 55 LEU HD12 H 1 0.805 0.001 . 2 . . . . 55 LEU QD1 . 17596 1 571 . 1 1 55 55 LEU HD13 H 1 0.805 0.001 . 2 . . . . 55 LEU QD1 . 17596 1 572 . 1 1 55 55 LEU HD21 H 1 0.788 0.001 . 2 . . . . 55 LEU QD2 . 17596 1 573 . 1 1 55 55 LEU HD22 H 1 0.788 0.001 . 2 . . . . 55 LEU QD2 . 17596 1 574 . 1 1 55 55 LEU HD23 H 1 0.788 0.001 . 2 . . . . 55 LEU QD2 . 17596 1 575 . 1 1 55 55 LEU C C 13 176.310 0.007 . 1 . . . . 55 LEU C . 17596 1 576 . 1 1 55 55 LEU CA C 13 53.220 0.006 . 1 . . . . 55 LEU CA . 17596 1 577 . 1 1 55 55 LEU CB C 13 40.589 0.055 . 1 . . . . 55 LEU CB . 17596 1 578 . 1 1 55 55 LEU CG C 13 24.786 0.184 . 1 . . . . 55 LEU CG . 17596 1 579 . 1 1 55 55 LEU CD1 C 13 23.217 0.121 . 2 . . . . 55 LEU CD1 . 17596 1 580 . 1 1 55 55 LEU CD2 C 13 20.996 0.000 . 2 . . . . 55 LEU CD2 . 17596 1 581 . 1 1 55 55 LEU N N 15 118.766 0.032 . 1 . . . . 55 LEU N . 17596 1 582 . 1 1 56 56 LEU H H 1 6.986 0.007 . 1 . . . . 56 LEU HN . 17596 1 583 . 1 1 56 56 LEU HA H 1 4.698 0.006 . 1 . . . . 56 LEU HA . 17596 1 584 . 1 1 56 56 LEU HB2 H 1 1.936 0.009 . 2 . . . . 56 LEU HB2 . 17596 1 585 . 1 1 56 56 LEU HB3 H 1 1.312 0.006 . 2 . . . . 56 LEU HB3 . 17596 1 586 . 1 1 56 56 LEU HG H 1 1.452 0.005 . 1 . . . . 56 LEU HG . 17596 1 587 . 1 1 56 56 LEU HD11 H 1 0.853 0.004 . 2 . . . . 56 LEU QD1 . 17596 1 588 . 1 1 56 56 LEU HD12 H 1 0.853 0.004 . 2 . . . . 56 LEU QD1 . 17596 1 589 . 1 1 56 56 LEU HD13 H 1 0.853 0.004 . 2 . . . . 56 LEU QD1 . 17596 1 590 . 1 1 56 56 LEU HD21 H 1 0.883 0.004 . 2 . . . . 56 LEU QD2 . 17596 1 591 . 1 1 56 56 LEU HD22 H 1 0.883 0.004 . 2 . . . . 56 LEU QD2 . 17596 1 592 . 1 1 56 56 LEU HD23 H 1 0.883 0.004 . 2 . . . . 56 LEU QD2 . 17596 1 593 . 1 1 56 56 LEU C C 13 174.945 0.025 . 1 . . . . 56 LEU C . 17596 1 594 . 1 1 56 56 LEU CA C 13 50.395 0.053 . 1 . . . . 56 LEU CA . 17596 1 595 . 1 1 56 56 LEU CB C 13 41.016 0.076 . 1 . . . . 56 LEU CB . 17596 1 596 . 1 1 56 56 LEU CD1 C 13 25.077 0.119 . 2 . . . . 56 LEU CD1 . 17596 1 597 . 1 1 56 56 LEU CD2 C 13 20.311 0.093 . 2 . . . . 56 LEU CD2 . 17596 1 598 . 1 1 56 56 LEU N N 15 114.293 0.017 . 1 . . . . 56 LEU N . 17596 1 599 . 1 1 57 57 ASN H H 1 8.099 0.003 . 1 . . . . 57 ASN HN . 17596 1 600 . 1 1 57 57 ASN HA H 1 4.878 0.012 . 1 . . . . 57 ASN HA . 17596 1 601 . 1 1 57 57 ASN HB2 H 1 3.002 0.007 . 2 . . . . 57 ASN HB2 . 17596 1 602 . 1 1 57 57 ASN HB3 H 1 2.383 0.009 . 2 . . . . 57 ASN HB3 . 17596 1 603 . 1 1 57 57 ASN HD21 H 1 7.283 0.007 . 2 . . . . 57 ASN HD21 . 17596 1 604 . 1 1 57 57 ASN HD22 H 1 6.892 0.005 . 2 . . . . 57 ASN HD22 . 17596 1 605 . 1 1 57 57 ASN C C 13 173.941 0.015 . 1 . . . . 57 ASN C . 17596 1 606 . 1 1 57 57 ASN CA C 13 50.300 0.117 . 1 . . . . 57 ASN CA . 17596 1 607 . 1 1 57 57 ASN CB C 13 40.052 0.130 . 1 . . . . 57 ASN CB . 17596 1 608 . 1 1 57 57 ASN N N 15 118.025 0.027 . 1 . . . . 57 ASN N . 17596 1 609 . 1 1 57 57 ASN ND2 N 15 111.635 0.081 . 1 . . . . 57 ASN ND2 . 17596 1 610 . 1 1 58 58 GLY H H 1 8.198 0.004 . 1 . . . . 58 GLY HN . 17596 1 611 . 1 1 58 58 GLY HA2 H 1 4.574 0.004 . 2 . . . . 58 GLY HA1 . 17596 1 612 . 1 1 58 58 GLY HA3 H 1 3.629 0.007 . 2 . . . . 58 GLY HA2 . 17596 1 613 . 1 1 58 58 GLY C C 13 172.755 0.052 . 1 . . . . 58 GLY C . 17596 1 614 . 1 1 58 58 GLY CA C 13 41.451 0.075 . 1 . . . . 58 GLY CA . 17596 1 615 . 1 1 58 58 GLY N N 15 105.975 0.025 . 1 . . . . 58 GLY N . 17596 1 616 . 1 1 59 59 LEU H H 1 7.972 0.006 . 1 . . . . 59 LEU HN . 17596 1 617 . 1 1 59 59 LEU HA H 1 4.389 0.006 . 1 . . . . 59 LEU HA . 17596 1 618 . 1 1 59 59 LEU HB2 H 1 1.720 0.008 . 2 . . . . 59 LEU HB2 . 17596 1 619 . 1 1 59 59 LEU HB3 H 1 1.324 0.011 . 2 . . . . 59 LEU HB3 . 17596 1 620 . 1 1 59 59 LEU HG H 1 1.452 0.005 . 1 . . . . 59 LEU HG . 17596 1 621 . 1 1 59 59 LEU HD11 H 1 0.773 0.006 . 2 . . . . 59 LEU QD1 . 17596 1 622 . 1 1 59 59 LEU HD12 H 1 0.773 0.006 . 2 . . . . 59 LEU QD1 . 17596 1 623 . 1 1 59 59 LEU HD13 H 1 0.773 0.006 . 2 . . . . 59 LEU QD1 . 17596 1 624 . 1 1 59 59 LEU HD21 H 1 0.777 0.005 . 2 . . . . 59 LEU QD2 . 17596 1 625 . 1 1 59 59 LEU HD22 H 1 0.777 0.005 . 2 . . . . 59 LEU QD2 . 17596 1 626 . 1 1 59 59 LEU HD23 H 1 0.777 0.005 . 2 . . . . 59 LEU QD2 . 17596 1 627 . 1 1 59 59 LEU C C 13 177.199 0.017 . 1 . . . . 59 LEU C . 17596 1 628 . 1 1 59 59 LEU CA C 13 50.934 0.076 . 1 . . . . 59 LEU CA . 17596 1 629 . 1 1 59 59 LEU CB C 13 41.945 0.082 . 1 . . . . 59 LEU CB . 17596 1 630 . 1 1 59 59 LEU CG C 13 24.174 0.167 . 1 . . . . 59 LEU CG . 17596 1 631 . 1 1 59 59 LEU CD1 C 13 23.827 0.061 . 2 . . . . 59 LEU CD1 . 17596 1 632 . 1 1 59 59 LEU CD2 C 13 21.176 0.108 . 2 . . . . 59 LEU CD2 . 17596 1 633 . 1 1 59 59 LEU N N 15 120.054 0.051 . 1 . . . . 59 LEU N . 17596 1 634 . 1 1 60 60 SER H H 1 9.043 0.005 . 1 . . . . 60 SER HN . 17596 1 635 . 1 1 60 60 SER HA H 1 4.082 0.022 . 1 . . . . 60 SER HA . 17596 1 636 . 1 1 60 60 SER HB2 H 1 3.890 0.014 . 2 . . . . 60 SER HB2 . 17596 1 637 . 1 1 60 60 SER HB3 H 1 3.801 0.013 . 2 . . . . 60 SER HB3 . 17596 1 638 . 1 1 60 60 SER C C 13 175.967 0.000 . 1 . . . . 60 SER C . 17596 1 639 . 1 1 60 60 SER CA C 13 57.657 0.062 . 1 . . . . 60 SER CA . 17596 1 640 . 1 1 60 60 SER CB C 13 60.520 0.077 . 1 . . . . 60 SER CB . 17596 1 641 . 1 1 60 60 SER N N 15 122.201 0.015 . 1 . . . . 60 SER N . 17596 1 642 . 1 1 61 61 GLY H H 1 9.019 0.003 . 1 . . . . 61 GLY HN . 17596 1 643 . 1 1 61 61 GLY HA2 H 1 4.205 0.012 . 2 . . . . 61 GLY HA1 . 17596 1 644 . 1 1 61 61 GLY HA3 H 1 3.797 0.009 . 2 . . . . 61 GLY HA2 . 17596 1 645 . 1 1 61 61 GLY C C 13 173.814 0.025 . 1 . . . . 61 GLY C . 17596 1 646 . 1 1 61 61 GLY CA C 13 43.334 0.038 . 1 . . . . 61 GLY CA . 17596 1 647 . 1 1 61 61 GLY N N 15 115.271 0.025 . 1 . . . . 61 GLY N . 17596 1 648 . 1 1 62 62 ASN H H 1 7.891 0.004 . 1 . . . . 62 ASN HN . 17596 1 649 . 1 1 62 62 ASN HA H 1 5.062 0.011 . 1 . . . . 62 ASN HA . 17596 1 650 . 1 1 62 62 ASN HB2 H 1 2.683 0.007 . 2 . . . . 62 ASN HB2 . 17596 1 651 . 1 1 62 62 ASN HB3 H 1 2.371 0.012 . 2 . . . . 62 ASN HB3 . 17596 1 652 . 1 1 62 62 ASN HD21 H 1 6.989 0.001 . 2 . . . . 62 ASN HD21 . 17596 1 653 . 1 1 62 62 ASN HD22 H 1 6.892 0.002 . 2 . . . . 62 ASN HD22 . 17596 1 654 . 1 1 62 62 ASN C C 13 174.524 0.017 . 1 . . . . 62 ASN C . 17596 1 655 . 1 1 62 62 ASN CA C 13 48.978 0.055 . 1 . . . . 62 ASN CA . 17596 1 656 . 1 1 62 62 ASN CB C 13 37.225 0.089 . 1 . . . . 62 ASN CB . 17596 1 657 . 1 1 62 62 ASN N N 15 120.380 0.021 . 1 . . . . 62 ASN N . 17596 1 658 . 1 1 62 62 ASN ND2 N 15 110.355 0.149 . 1 . . . . 62 ASN ND2 . 17596 1 659 . 1 1 63 63 THR H H 1 8.695 0.004 . 1 . . . . 63 THR HN . 17596 1 660 . 1 1 63 63 THR HA H 1 4.068 0.012 . 1 . . . . 63 THR HA . 17596 1 661 . 1 1 63 63 THR HB H 1 4.046 0.007 . 1 . . . . 63 THR HB . 17596 1 662 . 1 1 63 63 THR HG21 H 1 1.248 0.007 . 1 . . . . 63 THR QG2 . 17596 1 663 . 1 1 63 63 THR HG22 H 1 1.248 0.007 . 1 . . . . 63 THR QG2 . 17596 1 664 . 1 1 63 63 THR HG23 H 1 1.248 0.007 . 1 . . . . 63 THR QG2 . 17596 1 665 . 1 1 63 63 THR C C 13 174.646 0.013 . 1 . . . . 63 THR C . 17596 1 666 . 1 1 63 63 THR CA C 13 62.721 0.066 . 1 . . . . 63 THR CA . 17596 1 667 . 1 1 63 63 THR CB C 13 66.492 0.083 . 1 . . . . 63 THR CB . 17596 1 668 . 1 1 63 63 THR CG2 C 13 19.398 0.115 . 1 . . . . 63 THR CG2 . 17596 1 669 . 1 1 63 63 THR N N 15 121.280 0.035 . 1 . . . . 63 THR N . 17596 1 670 . 1 1 64 64 GLY H H 1 8.952 0.004 . 1 . . . . 64 GLY HN . 17596 1 671 . 1 1 64 64 GLY HA2 H 1 4.336 0.006 . 2 . . . . 64 GLY HA1 . 17596 1 672 . 1 1 64 64 GLY HA3 H 1 3.659 0.014 . 2 . . . . 64 GLY HA2 . 17596 1 673 . 1 1 64 64 GLY C C 13 174.066 0.000 . 1 . . . . 64 GLY C . 17596 1 674 . 1 1 64 64 GLY CA C 13 42.281 0.132 . 1 . . . . 64 GLY CA . 17596 1 675 . 1 1 64 64 GLY N N 15 115.256 0.030 . 1 . . . . 64 GLY N . 17596 1 676 . 1 1 65 65 SER H H 1 7.663 0.004 . 1 . . . . 65 SER HN . 17596 1 677 . 1 1 65 65 SER HA H 1 4.151 0.009 . 1 . . . . 65 SER HA . 17596 1 678 . 1 1 65 65 SER HB2 H 1 3.886 0.016 . 2 . . . . 65 SER HB2 . 17596 1 679 . 1 1 65 65 SER HB3 H 1 3.756 0.010 . 2 . . . . 65 SER HB3 . 17596 1 680 . 1 1 65 65 SER C C 13 172.549 0.068 . 1 . . . . 65 SER C . 17596 1 681 . 1 1 65 65 SER CA C 13 56.575 0.033 . 1 . . . . 65 SER CA . 17596 1 682 . 1 1 65 65 SER CB C 13 62.881 0.087 . 1 . . . . 65 SER CB . 17596 1 683 . 1 1 65 65 SER N N 15 114.864 0.038 . 1 . . . . 65 SER N . 17596 1 684 . 1 1 66 66 ALA H H 1 7.611 0.004 . 1 . . . . 66 ALA HN . 17596 1 685 . 1 1 66 66 ALA HA H 1 4.926 0.012 . 1 . . . . 66 ALA HA . 17596 1 686 . 1 1 66 66 ALA HB1 H 1 1.317 0.009 . 1 . . . . 66 ALA QB . 17596 1 687 . 1 1 66 66 ALA HB2 H 1 1.317 0.009 . 1 . . . . 66 ALA QB . 17596 1 688 . 1 1 66 66 ALA HB3 H 1 1.317 0.009 . 1 . . . . 66 ALA QB . 17596 1 689 . 1 1 66 66 ALA C C 13 176.000 0.020 . 1 . . . . 66 ALA C . 17596 1 690 . 1 1 66 66 ALA CA C 13 48.611 0.107 . 1 . . . . 66 ALA CA . 17596 1 691 . 1 1 66 66 ALA CB C 13 21.020 0.068 . 1 . . . . 66 ALA CB . 17596 1 692 . 1 1 66 66 ALA N N 15 122.216 0.093 . 1 . . . . 66 ALA N . 17596 1 693 . 1 1 67 67 CYS H H 1 8.693 0.006 . 1 . . . . 67 CYS HN . 17596 1 694 . 1 1 67 67 CYS HA H 1 5.558 0.009 . 1 . . . . 67 CYS HA . 17596 1 695 . 1 1 67 67 CYS HB2 H 1 2.695 0.005 . 2 . . . . 67 CYS HB2 . 17596 1 696 . 1 1 67 67 CYS HB3 H 1 2.499 0.011 . 2 . . . . 67 CYS HB3 . 17596 1 697 . 1 1 67 67 CYS C C 13 173.347 0.011 . 1 . . . . 67 CYS C . 17596 1 698 . 1 1 67 67 CYS CA C 13 51.930 0.042 . 1 . . . . 67 CYS CA . 17596 1 699 . 1 1 67 67 CYS CB C 13 46.483 0.033 . 1 . . . . 67 CYS CB . 17596 1 700 . 1 1 67 67 CYS N N 15 117.089 0.053 . 1 . . . . 67 CYS N . 17596 1 701 . 1 1 68 68 ALA H H 1 8.793 0.002 . 1 . . . . 68 ALA HN . 17596 1 702 . 1 1 68 68 ALA HA H 1 4.851 0.016 . 1 . . . . 68 ALA HA . 17596 1 703 . 1 1 68 68 ALA HB1 H 1 1.186 0.011 . 1 . . . . 68 ALA QB . 17596 1 704 . 1 1 68 68 ALA HB2 H 1 1.186 0.011 . 1 . . . . 68 ALA QB . 17596 1 705 . 1 1 68 68 ALA HB3 H 1 1.186 0.011 . 1 . . . . 68 ALA QB . 17596 1 706 . 1 1 68 68 ALA C C 13 175.651 0.011 . 1 . . . . 68 ALA C . 17596 1 707 . 1 1 68 68 ALA CA C 13 48.023 0.107 . 1 . . . . 68 ALA CA . 17596 1 708 . 1 1 68 68 ALA CB C 13 21.474 0.045 . 1 . . . . 68 ALA CB . 17596 1 709 . 1 1 68 68 ALA N N 15 121.214 0.049 . 1 . . . . 68 ALA N . 17596 1 710 . 1 1 69 69 LYS H H 1 8.774 0.003 . 1 . . . . 69 LYS HN . 17596 1 711 . 1 1 69 69 LYS HA H 1 4.468 0.009 . 1 . . . . 69 LYS HA . 17596 1 712 . 1 1 69 69 LYS HB2 H 1 2.140 0.005 . 2 . . . . 69 LYS HB2 . 17596 1 713 . 1 1 69 69 LYS HB3 H 1 1.674 0.002 . 2 . . . . 69 LYS HB3 . 17596 1 714 . 1 1 69 69 LYS HG2 H 1 1.596 0.005 . 2 . . . . 69 LYS HG2 . 17596 1 715 . 1 1 69 69 LYS HG3 H 1 1.392 0.009 . 2 . . . . 69 LYS HG3 . 17596 1 716 . 1 1 69 69 LYS HD2 H 1 1.930 0.004 . 2 . . . . 69 LYS HD2 . 17596 1 717 . 1 1 69 69 LYS HD3 H 1 1.786 0.003 . 2 . . . . 69 LYS HD3 . 17596 1 718 . 1 1 69 69 LYS HE2 H 1 3.015 0.007 . 2 . . . . 69 LYS QE . 17596 1 719 . 1 1 69 69 LYS HE3 H 1 3.015 0.007 . 2 . . . . 69 LYS QE . 17596 1 720 . 1 1 69 69 LYS C C 13 177.446 0.000 . 1 . . . . 69 LYS C . 17596 1 721 . 1 1 69 69 LYS CA C 13 54.299 0.029 . 1 . . . . 69 LYS CA . 17596 1 722 . 1 1 69 69 LYS CB C 13 30.766 0.061 . 1 . . . . 69 LYS CB . 17596 1 723 . 1 1 69 69 LYS CG C 13 24.118 0.050 . 1 . . . . 69 LYS CG . 17596 1 724 . 1 1 69 69 LYS CD C 13 26.986 0.057 . 1 . . . . 69 LYS CD . 17596 1 725 . 1 1 69 69 LYS CE C 13 39.599 0.004 . 1 . . . . 69 LYS CE . 17596 1 726 . 1 1 69 69 LYS N N 15 121.646 0.009 . 1 . . . . 69 LYS N . 17596 1 727 . 1 1 70 70 ALA H H 1 8.366 0.004 . 1 . . . . 70 ALA HN . 17596 1 728 . 1 1 70 70 ALA HA H 1 3.799 0.013 . 1 . . . . 70 ALA HA . 17596 1 729 . 1 1 70 70 ALA HB1 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 1 730 . 1 1 70 70 ALA HB2 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 1 731 . 1 1 70 70 ALA HB3 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 1 732 . 1 1 70 70 ALA CA C 13 53.526 0.064 . 1 . . . . 70 ALA CA . 17596 1 733 . 1 1 70 70 ALA CB C 13 16.200 0.050 . 1 . . . . 70 ALA CB . 17596 1 734 . 1 1 70 70 ALA N N 15 124.172 0.000 . 1 . . . . 70 ALA N . 17596 1 735 . 1 1 71 71 SER H H 1 8.656 0.006 . 1 . . . . 71 SER HN . 17596 1 736 . 1 1 71 71 SER HA H 1 4.166 0.011 . 1 . . . . 71 SER HA . 17596 1 737 . 1 1 71 71 SER HB2 H 1 3.903 0.015 . 2 . . . . 71 SER QB . 17596 1 738 . 1 1 71 71 SER HB3 H 1 3.903 0.015 . 2 . . . . 71 SER QB . 17596 1 739 . 1 1 71 71 SER C C 13 176.883 0.000 . 1 . . . . 71 SER C . 17596 1 740 . 1 1 71 71 SER CA C 13 58.404 0.048 . 1 . . . . 71 SER CA . 17596 1 741 . 1 1 71 71 SER CB C 13 59.350 0.173 . 1 . . . . 71 SER CB . 17596 1 742 . 1 1 71 71 SER N N 15 109.573 0.045 . 1 . . . . 71 SER N . 17596 1 743 . 1 1 72 72 LEU H H 1 7.006 0.003 . 1 . . . . 72 LEU HN . 17596 1 744 . 1 1 72 72 LEU HA H 1 4.293 0.006 . 1 . . . . 72 LEU HA . 17596 1 745 . 1 1 72 72 LEU HB2 H 1 1.859 0.005 . 2 . . . . 72 LEU HB2 . 17596 1 746 . 1 1 72 72 LEU HB3 H 1 1.640 0.005 . 2 . . . . 72 LEU HB3 . 17596 1 747 . 1 1 72 72 LEU HG H 1 1.594 0.002 . 1 . . . . 72 LEU HG . 17596 1 748 . 1 1 72 72 LEU HD11 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 1 749 . 1 1 72 72 LEU HD12 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 1 750 . 1 1 72 72 LEU HD13 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 1 751 . 1 1 72 72 LEU HD21 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 1 752 . 1 1 72 72 LEU HD22 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 1 753 . 1 1 72 72 LEU HD23 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 1 754 . 1 1 72 72 LEU C C 13 178.740 0.020 . 1 . . . . 72 LEU C . 17596 1 755 . 1 1 72 72 LEU CA C 13 54.809 0.019 . 1 . . . . 72 LEU CA . 17596 1 756 . 1 1 72 72 LEU CB C 13 40.166 0.091 . 1 . . . . 72 LEU CB . 17596 1 757 . 1 1 72 72 LEU CG C 13 24.753 0.120 . 1 . . . . 72 LEU CG . 17596 1 758 . 1 1 72 72 LEU CD1 C 13 23.203 0.106 . 2 . . . . 72 LEU CD1 . 17596 1 759 . 1 1 72 72 LEU CD2 C 13 21.613 0.111 . 2 . . . . 72 LEU CD2 . 17596 1 760 . 1 1 72 72 LEU N N 15 125.089 0.038 . 1 . . . . 72 LEU N . 17596 1 761 . 1 1 73 73 ILE H H 1 8.070 0.005 . 1 . . . . 73 ILE HN . 17596 1 762 . 1 1 73 73 ILE HA H 1 3.248 0.007 . 1 . . . . 73 ILE HA . 17596 1 763 . 1 1 73 73 ILE HB H 1 1.915 0.012 . 1 . . . . 73 ILE HB . 17596 1 764 . 1 1 73 73 ILE HG12 H 1 1.728 0.002 . 2 . . . . 73 ILE HG12 . 17596 1 765 . 1 1 73 73 ILE HG13 H 1 0.806 0.003 . 2 . . . . 73 ILE HG13 . 17596 1 766 . 1 1 73 73 ILE HG21 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 1 767 . 1 1 73 73 ILE HG22 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 1 768 . 1 1 73 73 ILE HG23 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 1 769 . 1 1 73 73 ILE HD11 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 1 770 . 1 1 73 73 ILE HD12 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 1 771 . 1 1 73 73 ILE HD13 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 1 772 . 1 1 73 73 ILE C C 13 179.135 0.025 . 1 . . . . 73 ILE C . 17596 1 773 . 1 1 73 73 ILE CA C 13 64.287 0.043 . 1 . . . . 73 ILE CA . 17596 1 774 . 1 1 73 73 ILE CB C 13 34.850 0.081 . 1 . . . . 73 ILE CB . 17596 1 775 . 1 1 73 73 ILE CG1 C 13 27.814 0.074 . 1 . . . . 73 ILE CG1 . 17596 1 776 . 1 1 73 73 ILE CG2 C 13 14.128 0.080 . 1 . . . . 73 ILE CG2 . 17596 1 777 . 1 1 73 73 ILE CD1 C 13 12.545 0.053 . 1 . . . . 73 ILE CD1 . 17596 1 778 . 1 1 73 73 ILE N N 15 120.677 0.020 . 1 . . . . 73 ILE N . 17596 1 779 . 1 1 74 74 ASP H H 1 8.102 0.003 . 1 . . . . 74 ASP HN . 17596 1 780 . 1 1 74 74 ASP HA H 1 4.438 0.012 . 1 . . . . 74 ASP HA . 17596 1 781 . 1 1 74 74 ASP HB2 H 1 2.714 0.009 . 2 . . . . 74 ASP HB2 . 17596 1 782 . 1 1 74 74 ASP HB3 H 1 2.544 0.013 . 2 . . . . 74 ASP HB3 . 17596 1 783 . 1 1 74 74 ASP C C 13 178.408 0.033 . 1 . . . . 74 ASP C . 17596 1 784 . 1 1 74 74 ASP CA C 13 54.314 0.067 . 1 . . . . 74 ASP CA . 17596 1 785 . 1 1 74 74 ASP CB C 13 38.328 0.031 . 1 . . . . 74 ASP CB . 17596 1 786 . 1 1 74 74 ASP N N 15 118.007 0.057 . 1 . . . . 74 ASP N . 17596 1 787 . 1 1 75 75 GLN H H 1 7.936 0.003 . 1 . . . . 75 GLN HN . 17596 1 788 . 1 1 75 75 GLN HA H 1 4.082 0.009 . 1 . . . . 75 GLN HA . 17596 1 789 . 1 1 75 75 GLN HB2 H 1 2.270 0.009 . 2 . . . . 75 GLN HB2 . 17596 1 790 . 1 1 75 75 GLN HB3 H 1 2.074 0.007 . 2 . . . . 75 GLN HB3 . 17596 1 791 . 1 1 75 75 GLN HG2 H 1 2.486 0.004 . 2 . . . . 75 GLN HG2 . 17596 1 792 . 1 1 75 75 GLN HG3 H 1 2.330 0.005 . 2 . . . . 75 GLN HG3 . 17596 1 793 . 1 1 75 75 GLN HE21 H 1 7.387 0.003 . 2 . . . . 75 GLN HE21 . 17596 1 794 . 1 1 75 75 GLN HE22 H 1 6.724 0.004 . 2 . . . . 75 GLN HE22 . 17596 1 795 . 1 1 75 75 GLN C C 13 177.740 0.011 . 1 . . . . 75 GLN C . 17596 1 796 . 1 1 75 75 GLN CA C 13 56.411 0.040 . 1 . . . . 75 GLN CA . 17596 1 797 . 1 1 75 75 GLN CB C 13 27.093 0.037 . 1 . . . . 75 GLN CB . 17596 1 798 . 1 1 75 75 GLN CG C 13 31.198 0.078 . 1 . . . . 75 GLN CG . 17596 1 799 . 1 1 75 75 GLN N N 15 119.900 0.024 . 1 . . . . 75 GLN N . 17596 1 800 . 1 1 75 75 GLN NE2 N 15 110.243 0.174 . 1 . . . . 75 GLN NE2 . 17596 1 801 . 1 1 76 76 LEU H H 1 8.347 0.006 . 1 . . . . 76 LEU HN . 17596 1 802 . 1 1 76 76 LEU HA H 1 4.377 0.008 . 1 . . . . 76 LEU HA . 17596 1 803 . 1 1 76 76 LEU HB2 H 1 1.637 0.004 . 2 . . . . 76 LEU HB2 . 17596 1 804 . 1 1 76 76 LEU HB3 H 1 1.530 0.006 . 2 . . . . 76 LEU HB3 . 17596 1 805 . 1 1 76 76 LEU HG H 1 1.711 0.002 . 1 . . . . 76 LEU HG . 17596 1 806 . 1 1 76 76 LEU HD11 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 1 807 . 1 1 76 76 LEU HD12 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 1 808 . 1 1 76 76 LEU HD13 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 1 809 . 1 1 76 76 LEU HD21 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 1 810 . 1 1 76 76 LEU HD22 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 1 811 . 1 1 76 76 LEU HD23 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 1 812 . 1 1 76 76 LEU C C 13 176.875 0.029 . 1 . . . . 76 LEU C . 17596 1 813 . 1 1 76 76 LEU CA C 13 52.010 0.099 . 1 . . . . 76 LEU CA . 17596 1 814 . 1 1 76 76 LEU CB C 13 40.003 0.044 . 1 . . . . 76 LEU CB . 17596 1 815 . 1 1 76 76 LEU CG C 13 24.610 0.045 . 1 . . . . 76 LEU CG . 17596 1 816 . 1 1 76 76 LEU CD1 C 13 23.280 0.115 . 2 . . . . 76 LEU CD1 . 17596 1 817 . 1 1 76 76 LEU CD2 C 13 20.213 0.061 . 2 . . . . 76 LEU CD2 . 17596 1 818 . 1 1 76 76 LEU N N 15 114.404 0.091 . 1 . . . . 76 LEU N . 17596 1 819 . 1 1 77 77 GLY H H 1 7.790 0.006 . 1 . . . . 77 GLY HN . 17596 1 820 . 1 1 77 77 GLY HA2 H 1 3.945 0.016 . 2 . . . . 77 GLY QA . 17596 1 821 . 1 1 77 77 GLY HA3 H 1 3.945 0.016 . 2 . . . . 77 GLY QA . 17596 1 822 . 1 1 77 77 GLY C C 13 176.543 0.035 . 1 . . . . 77 GLY C . 17596 1 823 . 1 1 77 77 GLY CA C 13 44.626 0.115 . 1 . . . . 77 GLY CA . 17596 1 824 . 1 1 77 77 GLY N N 15 109.693 0.039 . 1 . . . . 77 GLY N . 17596 1 825 . 1 1 78 78 LEU H H 1 7.585 0.004 . 1 . . . . 78 LEU HN . 17596 1 826 . 1 1 78 78 LEU HA H 1 4.572 0.008 . 1 . . . . 78 LEU HA . 17596 1 827 . 1 1 78 78 LEU HB2 H 1 1.842 0.003 . 2 . . . . 78 LEU HB2 . 17596 1 828 . 1 1 78 78 LEU HB3 H 1 1.281 0.004 . 2 . . . . 78 LEU HB3 . 17596 1 829 . 1 1 78 78 LEU HG H 1 1.576 0.003 . 1 . . . . 78 LEU HG . 17596 1 830 . 1 1 78 78 LEU HD11 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 1 831 . 1 1 78 78 LEU HD12 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 1 832 . 1 1 78 78 LEU HD13 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 1 833 . 1 1 78 78 LEU HD21 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 1 834 . 1 1 78 78 LEU HD22 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 1 835 . 1 1 78 78 LEU HD23 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 1 836 . 1 1 78 78 LEU C C 13 176.543 0.011 . 1 . . . . 78 LEU C . 17596 1 837 . 1 1 78 78 LEU CA C 13 50.300 0.096 . 1 . . . . 78 LEU CA . 17596 1 838 . 1 1 78 78 LEU CB C 13 37.129 0.047 . 1 . . . . 78 LEU CB . 17596 1 839 . 1 1 78 78 LEU CG C 13 23.583 0.037 . 1 . . . . 78 LEU CG . 17596 1 840 . 1 1 78 78 LEU CD1 C 13 23.163 0.097 . 2 . . . . 78 LEU CD1 . 17596 1 841 . 1 1 78 78 LEU CD2 C 13 20.573 0.039 . 2 . . . . 78 LEU CD2 . 17596 1 842 . 1 1 78 78 LEU N N 15 119.747 0.021 . 1 . . . . 78 LEU N . 17596 1 843 . 1 1 79 79 LEU H H 1 8.034 0.002 . 1 . . . . 79 LEU HN . 17596 1 844 . 1 1 79 79 LEU HA H 1 3.865 0.005 . 1 . . . . 79 LEU HA . 17596 1 845 . 1 1 79 79 LEU HB2 H 1 1.743 0.013 . 2 . . . . 79 LEU HB2 . 17596 1 846 . 1 1 79 79 LEU HB3 H 1 1.625 0.005 . 2 . . . . 79 LEU HB3 . 17596 1 847 . 1 1 79 79 LEU HG H 1 1.623 0.003 . 1 . . . . 79 LEU HG . 17596 1 848 . 1 1 79 79 LEU HD11 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 1 849 . 1 1 79 79 LEU HD12 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 1 850 . 1 1 79 79 LEU HD13 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 1 851 . 1 1 79 79 LEU HD21 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 1 852 . 1 1 79 79 LEU HD22 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 1 853 . 1 1 79 79 LEU HD23 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 1 854 . 1 1 79 79 LEU C C 13 179.049 0.045 . 1 . . . . 79 LEU C . 17596 1 855 . 1 1 79 79 LEU CA C 13 54.568 0.038 . 1 . . . . 79 LEU CA . 17596 1 856 . 1 1 79 79 LEU CB C 13 39.004 0.035 . 1 . . . . 79 LEU CB . 17596 1 857 . 1 1 79 79 LEU CG C 13 24.856 0.011 . 1 . . . . 79 LEU CG . 17596 1 858 . 1 1 79 79 LEU CD1 C 13 22.611 0.000 . 2 . . . . 79 LEU CD1 . 17596 1 859 . 1 1 79 79 LEU CD2 C 13 20.301 0.040 . 2 . . . . 79 LEU CD2 . 17596 1 860 . 1 1 79 79 LEU N N 15 122.111 0.039 . 1 . . . . 79 LEU N . 17596 1 861 . 1 1 80 80 ALA H H 1 8.877 0.007 . 1 . . . . 80 ALA HN . 17596 1 862 . 1 1 80 80 ALA HA H 1 4.226 0.012 . 1 . . . . 80 ALA HA . 17596 1 863 . 1 1 80 80 ALA HB1 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 1 864 . 1 1 80 80 ALA HB2 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 1 865 . 1 1 80 80 ALA HB3 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 1 866 . 1 1 80 80 ALA C C 13 179.355 0.044 . 1 . . . . 80 ALA C . 17596 1 867 . 1 1 80 80 ALA CA C 13 51.752 0.029 . 1 . . . . 80 ALA CA . 17596 1 868 . 1 1 80 80 ALA CB C 13 16.479 0.049 . 1 . . . . 80 ALA CB . 17596 1 869 . 1 1 80 80 ALA N N 15 120.085 0.018 . 1 . . . . 80 ALA N . 17596 1 870 . 1 1 81 81 LEU H H 1 7.489 0.004 . 1 . . . . 81 LEU HN . 17596 1 871 . 1 1 81 81 LEU HA H 1 4.421 0.013 . 1 . . . . 81 LEU HA . 17596 1 872 . 1 1 81 81 LEU HB2 H 1 1.852 0.010 . 2 . . . . 81 LEU HB2 . 17596 1 873 . 1 1 81 81 LEU HB3 H 1 1.525 0.017 . 2 . . . . 81 LEU HB3 . 17596 1 874 . 1 1 81 81 LEU HG H 1 1.417 0.003 . 1 . . . . 81 LEU HG . 17596 1 875 . 1 1 81 81 LEU HD11 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 1 876 . 1 1 81 81 LEU HD12 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 1 877 . 1 1 81 81 LEU HD13 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 1 878 . 1 1 81 81 LEU HD21 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 1 879 . 1 1 81 81 LEU HD22 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 1 880 . 1 1 81 81 LEU HD23 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 1 881 . 1 1 81 81 LEU C C 13 177.622 0.035 . 1 . . . . 81 LEU C . 17596 1 882 . 1 1 81 81 LEU CA C 13 52.873 0.130 . 1 . . . . 81 LEU CA . 17596 1 883 . 1 1 81 81 LEU CB C 13 41.845 0.061 . 1 . . . . 81 LEU CB . 17596 1 884 . 1 1 81 81 LEU CG C 13 25.083 0.052 . 1 . . . . 81 LEU CG . 17596 1 885 . 1 1 81 81 LEU CD1 C 13 25.098 0.014 . 2 . . . . 81 LEU CD1 . 17596 1 886 . 1 1 81 81 LEU CD2 C 13 20.753 0.072 . 2 . . . . 81 LEU CD2 . 17596 1 887 . 1 1 81 81 LEU N N 15 113.168 0.020 . 1 . . . . 81 LEU N . 17596 1 888 . 1 1 82 82 VAL H H 1 7.808 0.004 . 1 . . . . 82 VAL HN . 17596 1 889 . 1 1 82 82 VAL HA H 1 5.063 0.011 . 1 . . . . 82 VAL HA . 17596 1 890 . 1 1 82 82 VAL HB H 1 2.075 0.017 . 1 . . . . 82 VAL HB . 17596 1 891 . 1 1 82 82 VAL HG11 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 1 892 . 1 1 82 82 VAL HG12 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 1 893 . 1 1 82 82 VAL HG13 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 1 894 . 1 1 82 82 VAL HG21 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 1 895 . 1 1 82 82 VAL HG22 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 1 896 . 1 1 82 82 VAL HG23 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 1 897 . 1 1 82 82 VAL C C 13 173.690 0.024 . 1 . . . . 82 VAL C . 17596 1 898 . 1 1 82 82 VAL CA C 13 58.191 0.085 . 1 . . . . 82 VAL CA . 17596 1 899 . 1 1 82 82 VAL CB C 13 33.112 0.046 . 1 . . . . 82 VAL CB . 17596 1 900 . 1 1 82 82 VAL CG1 C 13 20.239 0.045 . 2 . . . . 82 VAL CG1 . 17596 1 901 . 1 1 82 82 VAL CG2 C 13 17.813 0.082 . 2 . . . . 82 VAL CG2 . 17596 1 902 . 1 1 82 82 VAL N N 15 116.754 0.027 . 1 . . . . 82 VAL N . 17596 1 903 . 1 1 83 83 ASP H H 1 8.711 0.005 . 1 . . . . 83 ASP HN . 17596 1 904 . 1 1 83 83 ASP HA H 1 5.029 0.016 . 1 . . . . 83 ASP HA . 17596 1 905 . 1 1 83 83 ASP HB2 H 1 2.437 0.022 . 2 . . . . 83 ASP HB2 . 17596 1 906 . 1 1 83 83 ASP HB3 H 1 2.126 0.016 . 2 . . . . 83 ASP HB3 . 17596 1 907 . 1 1 83 83 ASP C C 13 175.166 0.029 . 1 . . . . 83 ASP C . 17596 1 908 . 1 1 83 83 ASP CA C 13 49.145 0.082 . 1 . . . . 83 ASP CA . 17596 1 909 . 1 1 83 83 ASP CB C 13 42.593 0.140 . 1 . . . . 83 ASP CB . 17596 1 910 . 1 1 83 83 ASP N N 15 121.419 0.049 . 1 . . . . 83 ASP N . 17596 1 911 . 1 1 84 84 HIS H H 1 8.850 0.015 . 1 . . . . 84 HIS HN . 17596 1 912 . 1 1 84 84 HIS HA H 1 4.599 0.006 . 1 . . . . 84 HIS HA . 17596 1 913 . 1 1 84 84 HIS HB2 H 1 3.126 0.059 . 2 . . . . 84 HIS HB2 . 17596 1 914 . 1 1 84 84 HIS HB3 H 1 3.202 0.007 . 2 . . . . 84 HIS HB3 . 17596 1 915 . 1 1 84 84 HIS HD2 H 1 7.473 0.025 . 1 . . . . 84 HIS HD2 . 17596 1 916 . 1 1 84 84 HIS HE1 H 1 8.323 0.000 . 1 . . . . 84 HIS HE1 . 17596 1 917 . 1 1 84 84 HIS C C 13 173.878 0.024 . 1 . . . . 84 HIS C . 17596 1 918 . 1 1 84 84 HIS CA C 13 54.102 0.421 . 1 . . . . 84 HIS CA . 17596 1 919 . 1 1 84 84 HIS CB C 13 27.687 0.304 . 1 . . . . 84 HIS CB . 17596 1 920 . 1 1 84 84 HIS N N 15 119.499 0.062 . 1 . . . . 84 HIS N . 17596 1 921 . 1 1 85 85 THR H H 1 7.227 0.007 . 1 . . . . 85 THR HN . 17596 1 922 . 1 1 85 85 THR HA H 1 4.860 0.006 . 1 . . . . 85 THR HA . 17596 1 923 . 1 1 85 85 THR HB H 1 4.452 0.009 . 1 . . . . 85 THR HB . 17596 1 924 . 1 1 85 85 THR HG21 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 1 925 . 1 1 85 85 THR HG22 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 1 926 . 1 1 85 85 THR HG23 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 1 927 . 1 1 85 85 THR C C 13 176.014 0.000 . 1 . . . . 85 THR C . 17596 1 928 . 1 1 85 85 THR CA C 13 57.682 0.090 . 1 . . . . 85 THR CA . 17596 1 929 . 1 1 85 85 THR CB C 13 70.222 0.049 . 1 . . . . 85 THR CB . 17596 1 930 . 1 1 85 85 THR CG2 C 13 19.012 0.039 . 1 . . . . 85 THR CG2 . 17596 1 931 . 1 1 85 85 THR N N 15 114.305 0.043 . 1 . . . . 85 THR N . 17596 1 932 . 1 1 86 86 GLU H H 1 9.235 0.007 . 1 . . . . 86 GLU HN . 17596 1 933 . 1 1 86 86 GLU HA H 1 4.111 0.014 . 1 . . . . 86 GLU HA . 17596 1 934 . 1 1 86 86 GLU HB2 H 1 2.148 0.009 . 2 . . . . 86 GLU HB2 . 17596 1 935 . 1 1 86 86 GLU HB3 H 1 2.080 0.009 . 2 . . . . 86 GLU HB3 . 17596 1 936 . 1 1 86 86 GLU HG2 H 1 2.387 0.008 . 2 . . . . 86 GLU HG2 . 17596 1 937 . 1 1 86 86 GLU HG3 H 1 2.349 0.009 . 2 . . . . 86 GLU HG3 . 17596 1 938 . 1 1 86 86 GLU C C 13 177.196 0.011 . 1 . . . . 86 GLU C . 17596 1 939 . 1 1 86 86 GLU CA C 13 56.577 0.053 . 1 . . . . 86 GLU CA . 17596 1 940 . 1 1 86 86 GLU CB C 13 26.720 0.040 . 1 . . . . 86 GLU CB . 17596 1 941 . 1 1 86 86 GLU CG C 13 33.949 0.216 . 1 . . . . 86 GLU CG . 17596 1 942 . 1 1 86 86 GLU N N 15 121.198 0.031 . 1 . . . . 86 GLU N . 17596 1 943 . 1 1 87 87 GLU H H 1 7.891 0.005 . 1 . . . . 87 GLU HN . 17596 1 944 . 1 1 87 87 GLU HA H 1 4.539 0.009 . 1 . . . . 87 GLU HA . 17596 1 945 . 1 1 87 87 GLU HB2 H 1 2.353 0.007 . 2 . . . . 87 GLU HB2 . 17596 1 946 . 1 1 87 87 GLU HB3 H 1 1.688 0.011 . 2 . . . . 87 GLU HB3 . 17596 1 947 . 1 1 87 87 GLU HG2 H 1 2.212 0.010 . 2 . . . . 87 GLU QG . 17596 1 948 . 1 1 87 87 GLU HG3 H 1 2.212 0.010 . 2 . . . . 87 GLU QG . 17596 1 949 . 1 1 87 87 GLU C C 13 174.786 0.029 . 1 . . . . 87 GLU C . 17596 1 950 . 1 1 87 87 GLU CA C 13 53.375 0.047 . 1 . . . . 87 GLU CA . 17596 1 951 . 1 1 87 87 GLU CB C 13 28.035 0.186 . 1 . . . . 87 GLU CB . 17596 1 952 . 1 1 87 87 GLU CG C 13 34.535 0.188 . 1 . . . . 87 GLU CG . 17596 1 953 . 1 1 87 87 GLU N N 15 116.046 0.053 . 1 . . . . 87 GLU N . 17596 1 954 . 1 1 88 88 GLY H H 1 7.388 0.003 . 1 . . . . 88 GLY HN . 17596 1 955 . 1 1 88 88 GLY HA2 H 1 5.034 0.013 . 2 . . . . 88 GLY HA1 . 17596 1 956 . 1 1 88 88 GLY HA3 H 1 3.958 0.008 . 2 . . . . 88 GLY HA2 . 17596 1 957 . 1 1 88 88 GLY C C 13 172.846 0.000 . 1 . . . . 88 GLY C . 17596 1 958 . 1 1 88 88 GLY CA C 13 41.764 0.135 . 1 . . . . 88 GLY CA . 17596 1 959 . 1 1 88 88 GLY N N 15 108.655 0.151 . 1 . . . . 88 GLY N . 17596 1 960 . 1 1 89 89 PRO HA H 1 5.215 0.012 . 1 . . . . 89 PRO HA . 17596 1 961 . 1 1 89 89 PRO HB2 H 1 1.822 0.003 . 2 . . . . 89 PRO HB2 . 17596 1 962 . 1 1 89 89 PRO HB3 H 1 1.583 0.006 . 2 . . . . 89 PRO HB3 . 17596 1 963 . 1 1 89 89 PRO HG2 H 1 1.762 0.003 . 2 . . . . 89 PRO QG . 17596 1 964 . 1 1 89 89 PRO HG3 H 1 1.762 0.003 . 2 . . . . 89 PRO QG . 17596 1 965 . 1 1 89 89 PRO HD2 H 1 3.648 0.005 . 2 . . . . 89 PRO HD2 . 17596 1 966 . 1 1 89 89 PRO HD3 H 1 3.569 0.001 . 2 . . . . 89 PRO HD3 . 17596 1 967 . 1 1 89 89 PRO C C 13 175.967 0.000 . 1 . . . . 89 PRO C . 17596 1 968 . 1 1 89 89 PRO CA C 13 60.143 0.099 . 1 . . . . 89 PRO CA . 17596 1 969 . 1 1 89 89 PRO CB C 13 29.640 0.132 . 1 . . . . 89 PRO CB . 17596 1 970 . 1 1 89 89 PRO CG C 13 25.085 0.047 . 1 . . . . 89 PRO CG . 17596 1 971 . 1 1 89 89 PRO CD C 13 50.591 0.000 . 1 . . . . 89 PRO CD . 17596 1 972 . 1 1 89 89 PRO N N 15 144.273 0.022 . 1 . . . . 89 PRO N . 17596 1 973 . 1 1 90 90 VAL H H 1 8.228 0.010 . 1 . . . . 90 VAL HN . 17596 1 974 . 1 1 90 90 VAL HA H 1 4.441 0.014 . 1 . . . . 90 VAL HA . 17596 1 975 . 1 1 90 90 VAL HB H 1 2.216 0.012 . 1 . . . . 90 VAL HB . 17596 1 976 . 1 1 90 90 VAL HG11 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 1 977 . 1 1 90 90 VAL HG12 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 1 978 . 1 1 90 90 VAL HG13 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 1 979 . 1 1 90 90 VAL HG21 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 1 980 . 1 1 90 90 VAL HG22 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 1 981 . 1 1 90 90 VAL HG23 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 1 982 . 1 1 90 90 VAL C C 13 176.249 0.033 . 1 . . . . 90 VAL C . 17596 1 983 . 1 1 90 90 VAL CA C 13 56.989 0.079 . 1 . . . . 90 VAL CA . 17596 1 984 . 1 1 90 90 VAL CB C 13 33.915 0.055 . 1 . . . . 90 VAL CB . 17596 1 985 . 1 1 90 90 VAL CG1 C 13 21.552 0.059 . 2 . . . . 90 VAL CG1 . 17596 1 986 . 1 1 90 90 VAL CG2 C 13 15.336 0.082 . 2 . . . . 90 VAL CG2 . 17596 1 987 . 1 1 90 90 VAL N N 15 111.498 0.141 . 1 . . . . 90 VAL N . 17596 1 988 . 1 1 91 91 CYS H H 1 9.690 0.007 . 1 . . . . 91 CYS HN . 17596 1 989 . 1 1 91 91 CYS HA H 1 4.947 0.011 . 1 . . . . 91 CYS HA . 17596 1 990 . 1 1 91 91 CYS HB2 H 1 3.166 0.007 . 2 . . . . 91 CYS HB2 . 17596 1 991 . 1 1 91 91 CYS HB3 H 1 2.471 0.006 . 2 . . . . 91 CYS HB3 . 17596 1 992 . 1 1 91 91 CYS C C 13 176.460 0.000 . 1 . . . . 91 CYS C . 17596 1 993 . 1 1 91 91 CYS CA C 13 51.048 0.063 . 1 . . . . 91 CYS CA . 17596 1 994 . 1 1 91 91 CYS CB C 13 30.289 0.049 . 1 . . . . 91 CYS CB . 17596 1 995 . 1 1 91 91 CYS N N 15 118.846 0.077 . 1 . . . . 91 CYS N . 17596 1 996 . 1 1 92 92 LYS H H 1 8.767 0.005 . 1 . . . . 92 LYS HN . 17596 1 997 . 1 1 92 92 LYS HA H 1 3.772 0.010 . 1 . . . . 92 LYS HA . 17596 1 998 . 1 1 92 92 LYS HB2 H 1 1.497 0.003 . 2 . . . . 92 LYS HB2 . 17596 1 999 . 1 1 92 92 LYS HB3 H 1 1.303 0.008 . 2 . . . . 92 LYS HB3 . 17596 1 1000 . 1 1 92 92 LYS HG2 H 1 1.290 0.005 . 2 . . . . 92 LYS HG2 . 17596 1 1001 . 1 1 92 92 LYS HG3 H 1 1.263 0.010 . 2 . . . . 92 LYS HG3 . 17596 1 1002 . 1 1 92 92 LYS HD2 H 1 1.624 0.003 . 2 . . . . 92 LYS HD2 . 17596 1 1003 . 1 1 92 92 LYS HD3 H 1 1.562 0.008 . 2 . . . . 92 LYS HD3 . 17596 1 1004 . 1 1 92 92 LYS HE2 H 1 2.950 0.007 . 2 . . . . 92 LYS QE . 17596 1 1005 . 1 1 92 92 LYS HE3 H 1 2.950 0.007 . 2 . . . . 92 LYS QE . 17596 1 1006 . 1 1 92 92 LYS C C 13 175.550 0.041 . 1 . . . . 92 LYS C . 17596 1 1007 . 1 1 92 92 LYS CA C 13 56.761 0.045 . 1 . . . . 92 LYS CA . 17596 1 1008 . 1 1 92 92 LYS CB C 13 31.000 0.065 . 1 . . . . 92 LYS CB . 17596 1 1009 . 1 1 92 92 LYS CG C 13 21.973 0.017 . 1 . . . . 92 LYS CG . 17596 1 1010 . 1 1 92 92 LYS CD C 13 26.852 0.054 . 1 . . . . 92 LYS CD . 17596 1 1011 . 1 1 92 92 LYS CE C 13 39.390 0.071 . 1 . . . . 92 LYS CE . 17596 1 1012 . 1 1 92 92 LYS N N 15 125.780 0.034 . 1 . . . . 92 LYS N . 17596 1 1013 . 1 1 93 93 ASN H H 1 9.191 0.006 . 1 . . . . 93 ASN HN . 17596 1 1014 . 1 1 93 93 ASN HA H 1 5.077 0.012 . 1 . . . . 93 ASN HA . 17596 1 1015 . 1 1 93 93 ASN HB2 H 1 3.187 0.007 . 2 . . . . 93 ASN HB2 . 17596 1 1016 . 1 1 93 93 ASN HB3 H 1 2.982 0.014 . 2 . . . . 93 ASN HB3 . 17596 1 1017 . 1 1 93 93 ASN HD21 H 1 7.604 0.007 . 2 . . . . 93 ASN HD21 . 17596 1 1018 . 1 1 93 93 ASN HD22 H 1 7.159 0.005 . 2 . . . . 93 ASN HD22 . 17596 1 1019 . 1 1 93 93 ASN C C 13 173.573 0.047 . 1 . . . . 93 ASN C . 17596 1 1020 . 1 1 93 93 ASN CA C 13 51.336 0.075 . 1 . . . . 93 ASN CA . 17596 1 1021 . 1 1 93 93 ASN CB C 13 38.289 0.037 . 1 . . . . 93 ASN CB . 17596 1 1022 . 1 1 93 93 ASN N N 15 115.657 0.029 . 1 . . . . 93 ASN N . 17596 1 1023 . 1 1 93 93 ASN ND2 N 15 114.513 0.025 . 1 . . . . 93 ASN ND2 . 17596 1 1024 . 1 1 94 94 ILE H H 1 7.588 0.005 . 1 . . . . 94 ILE HN . 17596 1 1025 . 1 1 94 94 ILE HA H 1 4.178 0.017 . 1 . . . . 94 ILE HA . 17596 1 1026 . 1 1 94 94 ILE HB H 1 1.529 0.006 . 1 . . . . 94 ILE HB . 17596 1 1027 . 1 1 94 94 ILE HG12 H 1 1.386 0.006 . 2 . . . . 94 ILE HG12 . 17596 1 1028 . 1 1 94 94 ILE HG13 H 1 1.013 0.005 . 2 . . . . 94 ILE HG13 . 17596 1 1029 . 1 1 94 94 ILE HG21 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 1 1030 . 1 1 94 94 ILE HG22 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 1 1031 . 1 1 94 94 ILE HG23 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 1 1032 . 1 1 94 94 ILE HD11 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 1 1033 . 1 1 94 94 ILE HD12 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 1 1034 . 1 1 94 94 ILE HD13 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 1 1035 . 1 1 94 94 ILE C C 13 174.384 0.036 . 1 . . . . 94 ILE C . 17596 1 1036 . 1 1 94 94 ILE CA C 13 58.742 0.051 . 1 . . . . 94 ILE CA . 17596 1 1037 . 1 1 94 94 ILE CB C 13 39.667 0.071 . 1 . . . . 94 ILE CB . 17596 1 1038 . 1 1 94 94 ILE CG1 C 13 25.610 0.116 . 1 . . . . 94 ILE CG1 . 17596 1 1039 . 1 1 94 94 ILE CG2 C 13 15.126 0.059 . 1 . . . . 94 ILE CG2 . 17596 1 1040 . 1 1 94 94 ILE CD1 C 13 11.136 0.057 . 1 . . . . 94 ILE CD1 . 17596 1 1041 . 1 1 94 94 ILE N N 15 121.711 0.075 . 1 . . . . 94 ILE N . 17596 1 1042 . 1 1 95 95 VAL H H 1 8.405 0.004 . 1 . . . . 95 VAL HN . 17596 1 1043 . 1 1 95 95 VAL HA H 1 4.848 0.009 . 1 . . . . 95 VAL HA . 17596 1 1044 . 1 1 95 95 VAL HB H 1 1.907 0.006 . 1 . . . . 95 VAL HB . 17596 1 1045 . 1 1 95 95 VAL HG11 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 1 1046 . 1 1 95 95 VAL HG12 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 1 1047 . 1 1 95 95 VAL HG13 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 1 1048 . 1 1 95 95 VAL HG21 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 1 1049 . 1 1 95 95 VAL HG22 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 1 1050 . 1 1 95 95 VAL HG23 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 1 1051 . 1 1 95 95 VAL C C 13 174.547 0.129 . 1 . . . . 95 VAL C . 17596 1 1052 . 1 1 95 95 VAL CA C 13 58.824 0.023 . 1 . . . . 95 VAL CA . 17596 1 1053 . 1 1 95 95 VAL CB C 13 29.892 0.064 . 1 . . . . 95 VAL CB . 17596 1 1054 . 1 1 95 95 VAL CG1 C 13 19.441 0.064 . 2 . . . . 95 VAL CG1 . 17596 1 1055 . 1 1 95 95 VAL CG2 C 13 19.085 0.030 . 2 . . . . 95 VAL CG2 . 17596 1 1056 . 1 1 95 95 VAL N N 15 127.897 0.033 . 1 . . . . 95 VAL N . 17596 1 1057 . 1 1 96 96 ALA H H 1 9.280 0.005 . 1 . . . . 96 ALA HN . 17596 1 1058 . 1 1 96 96 ALA HA H 1 5.094 0.010 . 1 . . . . 96 ALA HA . 17596 1 1059 . 1 1 96 96 ALA HB1 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 1 1060 . 1 1 96 96 ALA HB2 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 1 1061 . 1 1 96 96 ALA HB3 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 1 1062 . 1 1 96 96 ALA C C 13 174.019 0.033 . 1 . . . . 96 ALA C . 17596 1 1063 . 1 1 96 96 ALA CA C 13 48.016 0.033 . 1 . . . . 96 ALA CA . 17596 1 1064 . 1 1 96 96 ALA CB C 13 23.560 0.060 . 1 . . . . 96 ALA CB . 17596 1 1065 . 1 1 96 96 ALA N N 15 129.960 0.019 . 1 . . . . 96 ALA N . 17596 1 1066 . 1 1 97 97 CYS H H 1 9.050 0.007 . 1 . . . . 97 CYS HN . 17596 1 1067 . 1 1 97 97 CYS HA H 1 5.190 0.007 . 1 . . . . 97 CYS HA . 17596 1 1068 . 1 1 97 97 CYS HB2 H 1 3.024 0.010 . 2 . . . . 97 CYS HB2 . 17596 1 1069 . 1 1 97 97 CYS HB3 H 1 2.680 0.009 . 2 . . . . 97 CYS HB3 . 17596 1 1070 . 1 1 97 97 CYS C C 13 175.164 0.005 . 1 . . . . 97 CYS C . 17596 1 1071 . 1 1 97 97 CYS CA C 13 51.552 0.070 . 1 . . . . 97 CYS CA . 17596 1 1072 . 1 1 97 97 CYS CB C 13 39.288 0.122 . 1 . . . . 97 CYS CB . 17596 1 1073 . 1 1 97 97 CYS N N 15 117.840 0.037 . 1 . . . . 97 CYS N . 17596 1 1074 . 1 1 98 98 CYS H H 1 9.135 0.003 . 1 . . . . 98 CYS HN . 17596 1 1075 . 1 1 98 98 CYS HA H 1 5.176 0.005 . 1 . . . . 98 CYS HA . 17596 1 1076 . 1 1 98 98 CYS HB2 H 1 3.143 0.015 . 2 . . . . 98 CYS HB2 . 17596 1 1077 . 1 1 98 98 CYS HB3 H 1 2.785 0.008 . 2 . . . . 98 CYS HB3 . 17596 1 1078 . 1 1 98 98 CYS CA C 13 50.140 0.129 . 1 . . . . 98 CYS CA . 17596 1 1079 . 1 1 98 98 CYS CB C 13 40.819 0.066 . 1 . . . . 98 CYS CB . 17596 1 1080 . 1 1 98 98 CYS N N 15 127.652 0.140 . 1 . . . . 98 CYS N . 17596 1 1081 . 1 1 99 99 PRO HA H 1 4.499 0.009 . 1 . . . . 99 PRO HA . 17596 1 1082 . 1 1 99 99 PRO HB2 H 1 2.315 0.014 . 2 . . . . 99 PRO HB2 . 17596 1 1083 . 1 1 99 99 PRO HB3 H 1 1.961 0.011 . 2 . . . . 99 PRO HB3 . 17596 1 1084 . 1 1 99 99 PRO HG2 H 1 1.933 0.003 . 2 . . . . 99 PRO QG . 17596 1 1085 . 1 1 99 99 PRO HG3 H 1 1.933 0.003 . 2 . . . . 99 PRO QG . 17596 1 1086 . 1 1 99 99 PRO HD2 H 1 3.859 0.008 . 2 . . . . 99 PRO HD2 . 17596 1 1087 . 1 1 99 99 PRO HD3 H 1 3.701 0.011 . 2 . . . . 99 PRO HD3 . 17596 1 1088 . 1 1 99 99 PRO C C 13 176.460 0.000 . 1 . . . . 99 PRO C . 17596 1 1089 . 1 1 99 99 PRO CA C 13 60.219 0.040 . 1 . . . . 99 PRO CA . 17596 1 1090 . 1 1 99 99 PRO CB C 13 29.869 0.074 . 1 . . . . 99 PRO CB . 17596 1 1091 . 1 1 99 99 PRO CG C 13 24.784 0.056 . 1 . . . . 99 PRO CG . 17596 1 1092 . 1 1 99 99 PRO CD C 13 48.579 0.182 . 1 . . . . 99 PRO CD . 17596 1 1093 . 1 1 99 99 PRO N N 15 138.025 0.078 . 1 . . . . 99 PRO N . 17596 1 1094 . 1 1 100 100 GLU H H 1 8.565 0.005 . 1 . . . . 100 GLU HN . 17596 1 1095 . 1 1 100 100 GLU HA H 1 4.162 0.015 . 1 . . . . 100 GLU HA . 17596 1 1096 . 1 1 100 100 GLU HB2 H 1 1.975 0.012 . 2 . . . . 100 GLU QB . 17596 1 1097 . 1 1 100 100 GLU HB3 H 1 1.975 0.012 . 2 . . . . 100 GLU QB . 17596 1 1098 . 1 1 100 100 GLU HG2 H 1 2.299 0.009 . 2 . . . . 100 GLU QG . 17596 1 1099 . 1 1 100 100 GLU HG3 H 1 2.299 0.009 . 2 . . . . 100 GLU QG . 17596 1 1100 . 1 1 100 100 GLU C C 13 177.853 0.029 . 1 . . . . 100 GLU C . 17596 1 1101 . 1 1 100 100 GLU CA C 13 55.068 0.162 . 1 . . . . 100 GLU CA . 17596 1 1102 . 1 1 100 100 GLU CB C 13 27.193 0.107 . 1 . . . . 100 GLU CB . 17596 1 1103 . 1 1 100 100 GLU CG C 13 33.802 0.187 . 1 . . . . 100 GLU CG . 17596 1 1104 . 1 1 100 100 GLU N N 15 121.611 0.065 . 1 . . . . 100 GLU N . 17596 1 1105 . 1 1 101 101 GLY H H 1 8.782 0.005 . 1 . . . . 101 GLY HN . 17596 1 1106 . 1 1 101 101 GLY HA2 H 1 4.176 0.013 . 2 . . . . 101 GLY HA1 . 17596 1 1107 . 1 1 101 101 GLY HA3 H 1 3.843 0.011 . 2 . . . . 101 GLY HA2 . 17596 1 1108 . 1 1 101 101 GLY C C 13 174.246 0.022 . 1 . . . . 101 GLY C . 17596 1 1109 . 1 1 101 101 GLY CA C 13 43.048 0.024 . 1 . . . . 101 GLY CA . 17596 1 1110 . 1 1 101 101 GLY N N 15 111.184 0.063 . 1 . . . . 101 GLY N . 17596 1 1111 . 1 1 102 102 THR H H 1 7.692 0.005 . 1 . . . . 102 THR HN . 17596 1 1112 . 1 1 102 102 THR HA H 1 4.675 0.007 . 1 . . . . 102 THR HA . 17596 1 1113 . 1 1 102 102 THR HB H 1 4.313 0.015 . 1 . . . . 102 THR HB . 17596 1 1114 . 1 1 102 102 THR HG21 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 1 1115 . 1 1 102 102 THR HG22 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 1 1116 . 1 1 102 102 THR HG23 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 1 1117 . 1 1 102 102 THR C C 13 174.365 0.007 . 1 . . . . 102 THR C . 17596 1 1118 . 1 1 102 102 THR CA C 13 58.113 0.051 . 1 . . . . 102 THR CA . 17596 1 1119 . 1 1 102 102 THR CB C 13 67.817 0.101 . 1 . . . . 102 THR CB . 17596 1 1120 . 1 1 102 102 THR CG2 C 13 18.707 0.057 . 1 . . . . 102 THR CG2 . 17596 1 1121 . 1 1 102 102 THR N N 15 111.702 0.031 . 1 . . . . 102 THR N . 17596 1 1122 . 1 1 103 103 THR H H 1 8.108 0.004 . 1 . . . . 103 THR HN . 17596 1 1123 . 1 1 103 103 THR HA H 1 4.341 0.012 . 1 . . . . 103 THR HA . 17596 1 1124 . 1 1 103 103 THR HB H 1 4.199 0.009 . 1 . . . . 103 THR HB . 17596 1 1125 . 1 1 103 103 THR HG21 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 1 1126 . 1 1 103 103 THR HG22 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 1 1127 . 1 1 103 103 THR HG23 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 1 1128 . 1 1 103 103 THR C C 13 173.877 0.021 . 1 . . . . 103 THR C . 17596 1 1129 . 1 1 103 103 THR CA C 13 60.022 0.051 . 1 . . . . 103 THR CA . 17596 1 1130 . 1 1 103 103 THR CB C 13 66.732 0.068 . 1 . . . . 103 THR CB . 17596 1 1131 . 1 1 103 103 THR CG2 C 13 19.242 0.000 . 1 . . . . 103 THR CG2 . 17596 1 1132 . 1 1 103 103 THR N N 15 114.111 0.039 . 1 . . . . 103 THR N . 17596 1 1133 . 1 1 104 104 ASN H H 1 7.942 0.005 . 1 . . . . 104 ASN HN . 17596 1 1134 . 1 1 104 104 ASN HA H 1 4.884 0.010 . 1 . . . . 104 ASN HA . 17596 1 1135 . 1 1 104 104 ASN HB2 H 1 2.599 0.008 . 2 . . . . 104 ASN QB . 17596 1 1136 . 1 1 104 104 ASN HB3 H 1 2.599 0.008 . 2 . . . . 104 ASN QB . 17596 1 1137 . 1 1 104 104 ASN HD21 H 1 7.420 0.005 . 2 . . . . 104 ASN HD21 . 17596 1 1138 . 1 1 104 104 ASN HD22 H 1 6.883 0.005 . 2 . . . . 104 ASN HD22 . 17596 1 1139 . 1 1 104 104 ASN C C 13 174.888 0.033 . 1 . . . . 104 ASN C . 17596 1 1140 . 1 1 104 104 ASN CA C 13 50.047 0.062 . 1 . . . . 104 ASN CA . 17596 1 1141 . 1 1 104 104 ASN CB C 13 37.948 0.055 . 1 . . . . 104 ASN CB . 17596 1 1142 . 1 1 104 104 ASN N N 15 118.368 0.037 . 1 . . . . 104 ASN N . 17596 1 1143 . 1 1 104 104 ASN ND2 N 15 112.319 0.096 . 1 . . . . 104 ASN ND2 . 17596 1 1144 . 1 1 105 105 CYS H H 1 8.622 0.002 . 1 . . . . 105 CYS HN . 17596 1 1145 . 1 1 105 105 CYS HA H 1 5.069 0.010 . 1 . . . . 105 CYS HA . 17596 1 1146 . 1 1 105 105 CYS HB2 H 1 3.357 0.006 . 2 . . . . 105 CYS HB2 . 17596 1 1147 . 1 1 105 105 CYS HB3 H 1 2.512 0.006 . 2 . . . . 105 CYS HB3 . 17596 1 1148 . 1 1 105 105 CYS C C 13 172.283 0.033 . 1 . . . . 105 CYS C . 17596 1 1149 . 1 1 105 105 CYS CA C 13 54.258 0.063 . 1 . . . . 105 CYS CA . 17596 1 1150 . 1 1 105 105 CYS CB C 13 46.501 0.046 . 1 . . . . 105 CYS CB . 17596 1 1151 . 1 1 105 105 CYS N N 15 119.096 0.027 . 1 . . . . 105 CYS N . 17596 1 1152 . 1 1 106 106 VAL H H 1 8.713 0.007 . 1 . . . . 106 VAL HN . 17596 1 1153 . 1 1 106 106 VAL HA H 1 4.548 0.008 . 1 . . . . 106 VAL HA . 17596 1 1154 . 1 1 106 106 VAL HB H 1 2.016 0.007 . 1 . . . . 106 VAL HB . 17596 1 1155 . 1 1 106 106 VAL HG11 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 1 1156 . 1 1 106 106 VAL HG12 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 1 1157 . 1 1 106 106 VAL HG13 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 1 1158 . 1 1 106 106 VAL HG21 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 1 1159 . 1 1 106 106 VAL HG22 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 1 1160 . 1 1 106 106 VAL HG23 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 1 1161 . 1 1 106 106 VAL C C 13 175.114 0.011 . 1 . . . . 106 VAL C . 17596 1 1162 . 1 1 106 106 VAL CA C 13 58.243 0.064 . 1 . . . . 106 VAL CA . 17596 1 1163 . 1 1 106 106 VAL CB C 13 32.522 0.055 . 1 . . . . 106 VAL CB . 17596 1 1164 . 1 1 106 106 VAL CG1 C 13 18.717 0.119 . 2 . . . . 106 VAL CG1 . 17596 1 1165 . 1 1 106 106 VAL CG2 C 13 17.783 0.098 . 2 . . . . 106 VAL CG2 . 17596 1 1166 . 1 1 106 106 VAL N N 15 118.666 0.041 . 1 . . . . 106 VAL N . 17596 1 1167 . 1 1 107 107 ALA H H 1 8.887 0.002 . 1 . . . . 107 ALA HN . 17596 1 1168 . 1 1 107 107 ALA HA H 1 4.267 0.014 . 1 . . . . 107 ALA HA . 17596 1 1169 . 1 1 107 107 ALA HB1 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 1 1170 . 1 1 107 107 ALA HB2 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 1 1171 . 1 1 107 107 ALA HB3 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 1 1172 . 1 1 107 107 ALA C C 13 177.829 0.022 . 1 . . . . 107 ALA C . 17596 1 1173 . 1 1 107 107 ALA CA C 13 50.461 0.010 . 1 . . . . 107 ALA CA . 17596 1 1174 . 1 1 107 107 ALA CB C 13 16.765 0.026 . 1 . . . . 107 ALA CB . 17596 1 1175 . 1 1 107 107 ALA N N 15 129.905 0.022 . 1 . . . . 107 ALA N . 17596 1 1176 . 1 1 108 108 VAL H H 1 8.490 0.008 . 1 . . . . 108 VAL HN . 17596 1 1177 . 1 1 108 108 VAL HA H 1 4.158 0.031 . 1 . . . . 108 VAL HA . 17596 1 1178 . 1 1 108 108 VAL HB H 1 2.095 0.018 . 1 . . . . 108 VAL HB . 17596 1 1179 . 1 1 108 108 VAL HG11 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 1 1180 . 1 1 108 108 VAL HG12 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 1 1181 . 1 1 108 108 VAL HG13 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 1 1182 . 1 1 108 108 VAL HG21 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 1 1183 . 1 1 108 108 VAL HG22 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 1 1184 . 1 1 108 108 VAL HG23 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 1 1185 . 1 1 108 108 VAL C C 13 175.721 0.035 . 1 . . . . 108 VAL C . 17596 1 1186 . 1 1 108 108 VAL CA C 13 59.756 0.049 . 1 . . . . 108 VAL CA . 17596 1 1187 . 1 1 108 108 VAL CB C 13 30.083 0.222 . 1 . . . . 108 VAL CB . 17596 1 1188 . 1 1 108 108 VAL CG1 C 13 19.272 0.048 . 2 . . . . 108 VAL CG1 . 17596 1 1189 . 1 1 108 108 VAL CG2 C 13 17.642 0.079 . 2 . . . . 108 VAL CG2 . 17596 1 1190 . 1 1 108 108 VAL N N 15 118.702 0.056 . 1 . . . . 108 VAL N . 17596 1 1191 . 1 1 109 109 ASP H H 1 8.400 0.005 . 1 . . . . 109 ASP HN . 17596 1 1192 . 1 1 109 109 ASP HA H 1 4.669 0.018 . 1 . . . . 109 ASP HA . 17596 1 1193 . 1 1 109 109 ASP HB2 H 1 2.684 0.014 . 2 . . . . 109 ASP HB2 . 17596 1 1194 . 1 1 109 109 ASP HB3 H 1 2.628 0.004 . 2 . . . . 109 ASP HB3 . 17596 1 1195 . 1 1 109 109 ASP C C 13 175.686 0.000 . 1 . . . . 109 ASP C . 17596 1 1196 . 1 1 109 109 ASP CA C 13 51.421 0.078 . 1 . . . . 109 ASP CA . 17596 1 1197 . 1 1 109 109 ASP CB C 13 38.934 0.140 . 1 . . . . 109 ASP CB . 17596 1 1198 . 1 1 109 109 ASP N N 15 122.907 0.147 . 1 . . . . 109 ASP N . 17596 1 1199 . 1 1 110 110 ASN H H 1 8.447 0.002 . 1 . . . . 110 ASN HN . 17596 1 1200 . 1 1 110 110 ASN HA H 1 4.695 0.015 . 1 . . . . 110 ASN HA . 17596 1 1201 . 1 1 110 110 ASN HB2 H 1 2.860 0.007 . 2 . . . . 110 ASN HB2 . 17596 1 1202 . 1 1 110 110 ASN HB3 H 1 2.774 0.007 . 2 . . . . 110 ASN HB3 . 17596 1 1203 . 1 1 110 110 ASN HD21 H 1 7.601 0.006 . 2 . . . . 110 ASN HD21 . 17596 1 1204 . 1 1 110 110 ASN HD22 H 1 6.867 0.005 . 2 . . . . 110 ASN HD22 . 17596 1 1205 . 1 1 110 110 ASN C C 13 175.265 0.045 . 1 . . . . 110 ASN C . 17596 1 1206 . 1 1 110 110 ASN CA C 13 50.653 0.065 . 1 . . . . 110 ASN CA . 17596 1 1207 . 1 1 110 110 ASN CB C 13 36.375 0.071 . 1 . . . . 110 ASN CB . 17596 1 1208 . 1 1 110 110 ASN N N 15 120.059 0.026 . 1 . . . . 110 ASN N . 17596 1 1209 . 1 1 110 110 ASN ND2 N 15 112.477 0.116 . 1 . . . . 110 ASN ND2 . 17596 1 1210 . 1 1 111 111 ALA H H 1 8.360 0.004 . 1 . . . . 111 ALA HN . 17596 1 1211 . 1 1 111 111 ALA HA H 1 4.297 0.012 . 1 . . . . 111 ALA HA . 17596 1 1212 . 1 1 111 111 ALA HB1 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 1 1213 . 1 1 111 111 ALA HB2 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 1 1214 . 1 1 111 111 ALA HB3 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 1 1215 . 1 1 111 111 ALA C C 13 178.468 0.025 . 1 . . . . 111 ALA C . 17596 1 1216 . 1 1 111 111 ALA CA C 13 50.714 0.049 . 1 . . . . 111 ALA CA . 17596 1 1217 . 1 1 111 111 ALA CB C 13 16.564 0.018 . 1 . . . . 111 ALA CB . 17596 1 1218 . 1 1 111 111 ALA N N 15 124.606 0.052 . 1 . . . . 111 ALA N . 17596 1 1219 . 1 1 112 112 GLY H H 1 8.391 0.002 . 1 . . . . 112 GLY HN . 17596 1 1220 . 1 1 112 112 GLY HA2 H 1 3.946 0.008 . 2 . . . . 112 GLY QA . 17596 1 1221 . 1 1 112 112 GLY HA3 H 1 3.946 0.008 . 2 . . . . 112 GLY QA . 17596 1 1222 . 1 1 112 112 GLY C C 13 174.321 0.021 . 1 . . . . 112 GLY C . 17596 1 1223 . 1 1 112 112 GLY CA C 13 43.021 0.039 . 1 . . . . 112 GLY CA . 17596 1 1224 . 1 1 112 112 GLY N N 15 108.057 0.074 . 1 . . . . 112 GLY N . 17596 1 1225 . 1 1 113 113 ALA H H 1 8.126 0.003 . 1 . . . . 113 ALA HN . 17596 1 1226 . 1 1 113 113 ALA HA H 1 4.329 0.009 . 1 . . . . 113 ALA HA . 17596 1 1227 . 1 1 113 113 ALA HB1 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 1 1228 . 1 1 113 113 ALA HB2 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 1 1229 . 1 1 113 113 ALA HB3 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 1 1230 . 1 1 113 113 ALA C C 13 178.404 0.032 . 1 . . . . 113 ALA C . 17596 1 1231 . 1 1 113 113 ALA CA C 13 50.384 0.052 . 1 . . . . 113 ALA CA . 17596 1 1232 . 1 1 113 113 ALA CB C 13 16.859 0.040 . 1 . . . . 113 ALA CB . 17596 1 1233 . 1 1 113 113 ALA N N 15 123.908 0.025 . 1 . . . . 113 ALA N . 17596 1 1234 . 1 1 114 114 GLY H H 1 8.421 0.003 . 1 . . . . 114 GLY HN . 17596 1 1235 . 1 1 114 114 GLY HA2 H 1 3.996 0.009 . 2 . . . . 114 GLY QA . 17596 1 1236 . 1 1 114 114 GLY HA3 H 1 3.996 0.009 . 2 . . . . 114 GLY QA . 17596 1 1237 . 1 1 114 114 GLY C C 13 174.440 0.002 . 1 . . . . 114 GLY C . 17596 1 1238 . 1 1 114 114 GLY CA C 13 42.913 0.027 . 1 . . . . 114 GLY CA . 17596 1 1239 . 1 1 114 114 GLY N N 15 108.093 0.090 . 1 . . . . 114 GLY N . 17596 1 1240 . 1 1 115 115 THR H H 1 8.026 0.004 . 1 . . . . 115 THR HN . 17596 1 1241 . 1 1 115 115 THR HA H 1 4.322 0.006 . 1 . . . . 115 THR HA . 17596 1 1242 . 1 1 115 115 THR HB H 1 4.196 0.008 . 1 . . . . 115 THR HB . 17596 1 1243 . 1 1 115 115 THR HG21 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 1 1244 . 1 1 115 115 THR HG22 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 1 1245 . 1 1 115 115 THR HG23 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 1 1246 . 1 1 115 115 THR C C 13 174.402 0.044 . 1 . . . . 115 THR C . 17596 1 1247 . 1 1 115 115 THR CA C 13 59.526 0.087 . 1 . . . . 115 THR CA . 17596 1 1248 . 1 1 115 115 THR CB C 13 67.518 0.034 . 1 . . . . 115 THR CB . 17596 1 1249 . 1 1 115 115 THR CG2 C 13 19.103 0.024 . 1 . . . . 115 THR CG2 . 17596 1 1250 . 1 1 115 115 THR N N 15 114.234 0.019 . 1 . . . . 115 THR N . 17596 1 1251 . 1 1 116 116 LYS H H 1 8.362 0.009 . 1 . . . . 116 LYS HN . 17596 1 1252 . 1 1 116 116 LYS HA H 1 4.350 0.006 . 1 . . . . 116 LYS HA . 17596 1 1253 . 1 1 116 116 LYS HB2 H 1 1.833 0.009 . 2 . . . . 116 LYS HB2 . 17596 1 1254 . 1 1 116 116 LYS HB3 H 1 1.749 0.004 . 2 . . . . 116 LYS HB3 . 17596 1 1255 . 1 1 116 116 LYS HG2 H 1 1.415 0.004 . 2 . . . . 116 LYS QG . 17596 1 1256 . 1 1 116 116 LYS HG3 H 1 1.415 0.004 . 2 . . . . 116 LYS QG . 17596 1 1257 . 1 1 116 116 LYS HD2 H 1 1.664 0.003 . 2 . . . . 116 LYS QD . 17596 1 1258 . 1 1 116 116 LYS HD3 H 1 1.664 0.003 . 2 . . . . 116 LYS QD . 17596 1 1259 . 1 1 116 116 LYS HE2 H 1 2.974 0.002 . 2 . . . . 116 LYS QE . 17596 1 1260 . 1 1 116 116 LYS HE3 H 1 2.974 0.002 . 2 . . . . 116 LYS QE . 17596 1 1261 . 1 1 116 116 LYS C C 13 175.912 0.040 . 1 . . . . 116 LYS C . 17596 1 1262 . 1 1 116 116 LYS CA C 13 53.583 0.076 . 1 . . . . 116 LYS CA . 17596 1 1263 . 1 1 116 116 LYS CB C 13 30.789 0.105 . 1 . . . . 116 LYS CB . 17596 1 1264 . 1 1 116 116 LYS CG C 13 22.222 0.093 . 1 . . . . 116 LYS CG . 17596 1 1265 . 1 1 116 116 LYS CD C 13 26.587 0.045 . 1 . . . . 116 LYS CD . 17596 1 1266 . 1 1 116 116 LYS CE C 13 39.560 0.055 . 1 . . . . 116 LYS CE . 17596 1 1267 . 1 1 116 116 LYS N N 15 124.603 0.042 . 1 . . . . 116 LYS N . 17596 1 1268 . 1 1 117 117 ALA H H 1 8.404 0.011 . 1 . . . . 117 ALA HN . 17596 1 1269 . 1 1 117 117 ALA HA H 1 4.346 0.010 . 1 . . . . 117 ALA HA . 17596 1 1270 . 1 1 117 117 ALA HB1 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 1 1271 . 1 1 117 117 ALA HB2 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 1 1272 . 1 1 117 117 ALA HB3 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 1 1273 . 1 1 117 117 ALA C C 13 176.703 0.029 . 1 . . . . 117 ALA C . 17596 1 1274 . 1 1 117 117 ALA CA C 13 50.036 0.032 . 1 . . . . 117 ALA CA . 17596 1 1275 . 1 1 117 117 ALA CB C 13 16.812 0.022 . 1 . . . . 117 ALA CB . 17596 1 1276 . 1 1 117 117 ALA N N 15 127.153 0.085 . 1 . . . . 117 ALA N . 17596 1 1277 . 1 1 118 118 GLU H H 1 7.947 0.005 . 1 . . . . 118 GLU HN . 17596 1 1278 . 1 1 118 118 GLU HA H 1 4.113 0.022 . 1 . . . . 118 GLU HA . 17596 1 1279 . 1 1 118 118 GLU HB2 H 1 2.040 0.019 . 2 . . . . 118 GLU HB2 . 17596 1 1280 . 1 1 118 118 GLU HB3 H 1 1.868 0.009 . 2 . . . . 118 GLU HB3 . 17596 1 1281 . 1 1 118 118 GLU HG2 H 1 2.185 0.039 . 2 . . . . 118 GLU QG . 17596 1 1282 . 1 1 118 118 GLU HG3 H 1 2.185 0.039 . 2 . . . . 118 GLU QG . 17596 1 1283 . 1 1 118 118 GLU C C 13 180.826 0.000 . 1 . . . . 118 GLU C . 17596 1 1284 . 1 1 118 118 GLU CA C 13 55.314 0.077 . 1 . . . . 118 GLU CA . 17596 1 1285 . 1 1 118 118 GLU CB C 13 28.668 0.198 . 1 . . . . 118 GLU CB . 17596 1 1286 . 1 1 118 118 GLU CG C 13 34.071 0.112 . 1 . . . . 118 GLU CG . 17596 1 1287 . 1 1 118 118 GLU N N 15 125.310 0.213 . 1 . . . . 118 GLU N . 17596 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 17596 _Assigned_chem_shift_list.ID 2 _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' . . . 17596 2 2 '2D 1H-13C HSQC' . . . 17596 2 3 '2D 1H-1H NOESY' . . . 17596 2 4 '3D CBCA(CO)NH' . . . 17596 2 5 '3D C(CO)NH' . . . 17596 2 6 '3D HNCO' . . . 17596 2 7 '3D HNCACB' . . . 17596 2 8 '3D HBHA(CO)NH' . . . 17596 2 9 '3D HN(CA)CO' . . . 17596 2 10 '3D 1H-15N NOESY' . . . 17596 2 11 '3D 1H-15N TOCSY' . . . 17596 2 12 '3D 1H-13C NOESY aliphatic' . . . 17596 2 13 '3D HCCH-TOCSY' . . . 17596 2 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 SER HA H 1 4.135 0.000 . 1 . . . . 1 SER HA . 17596 2 2 . 1 1 1 1 SER HB2 H 1 3.971 0.000 . 2 . . . . 1 SER QB . 17596 2 3 . 1 1 1 1 SER HB3 H 1 3.971 0.000 . 2 . . . . 1 SER QB . 17596 2 4 . 1 1 1 1 SER C C 13 169.877 0.011 . 1 . . . . 1 SER C . 17596 2 5 . 1 1 1 1 SER CA C 13 55.005 0.022 . 1 . . . . 1 SER CA . 17596 2 6 . 1 1 1 1 SER CB C 13 60.928 0.013 . 1 . . . . 1 SER CB . 17596 2 7 . 1 1 2 2 LEU H H 1 8.567 0.001 . 1 . . . . 2 LEU HN . 17596 2 8 . 1 1 2 2 LEU HA H 1 4.433 0.006 . 1 . . . . 2 LEU HA . 17596 2 9 . 1 1 2 2 LEU HB2 H 1 1.600 0.010 . 2 . . . . 2 LEU HB2 . 17596 2 10 . 1 1 2 2 LEU HB3 H 1 1.457 0.002 . 2 . . . . 2 LEU HB3 . 17596 2 11 . 1 1 2 2 LEU HG H 1 1.465 0.009 . 1 . . . . 2 LEU HG . 17596 2 12 . 1 1 2 2 LEU HD11 H 1 0.914 0.014 . 2 . . . . 2 LEU QD1 . 17596 2 13 . 1 1 2 2 LEU HD12 H 1 0.914 0.014 . 2 . . . . 2 LEU QD1 . 17596 2 14 . 1 1 2 2 LEU HD13 H 1 0.914 0.014 . 2 . . . . 2 LEU QD1 . 17596 2 15 . 1 1 2 2 LEU HD21 H 1 0.898 0.007 . 2 . . . . 2 LEU QD2 . 17596 2 16 . 1 1 2 2 LEU HD22 H 1 0.898 0.007 . 2 . . . . 2 LEU QD2 . 17596 2 17 . 1 1 2 2 LEU HD23 H 1 0.898 0.007 . 2 . . . . 2 LEU QD2 . 17596 2 18 . 1 1 2 2 LEU C C 13 175.323 0.000 . 1 . . . . 2 LEU C . 17596 2 19 . 1 1 2 2 LEU CA C 13 50.466 0.076 . 1 . . . . 2 LEU CA . 17596 2 20 . 1 1 2 2 LEU CB C 13 40.488 0.078 . 1 . . . . 2 LEU CB . 17596 2 21 . 1 1 2 2 LEU CG C 13 24.958 0.033 . 1 . . . . 2 LEU CG . 17596 2 22 . 1 1 2 2 LEU CD1 C 13 22.578 0.001 . 2 . . . . 2 LEU CD1 . 17596 2 23 . 1 1 2 2 LEU CD2 C 13 21.002 0.000 . 2 . . . . 2 LEU CD2 . 17596 2 24 . 1 1 2 2 LEU N N 15 122.706 0.031 . 1 . . . . 2 LEU N . 17596 2 25 . 1 1 3 3 PRO HA H 1 4.557 0.012 . 1 . . . . 3 PRO HA . 17596 2 26 . 1 1 3 3 PRO HB2 H 1 2.402 0.019 . 2 . . . . 3 PRO HB2 . 17596 2 27 . 1 1 3 3 PRO HB3 H 1 2.154 0.010 . 2 . . . . 3 PRO HB3 . 17596 2 28 . 1 1 3 3 PRO HG2 H 1 1.918 0.006 . 2 . . . . 3 PRO HG2 . 17596 2 29 . 1 1 3 3 PRO HG3 H 1 1.820 0.004 . 2 . . . . 3 PRO HG3 . 17596 2 30 . 1 1 3 3 PRO HD2 H 1 3.574 0.004 . 2 . . . . 3 PRO HD2 . 17596 2 31 . 1 1 3 3 PRO HD3 H 1 3.473 0.003 . 2 . . . . 3 PRO HD3 . 17596 2 32 . 1 1 3 3 PRO C C 13 176.390 0.000 . 1 . . . . 3 PRO C . 17596 2 33 . 1 1 3 3 PRO CA C 13 60.266 0.048 . 1 . . . . 3 PRO CA . 17596 2 34 . 1 1 3 3 PRO CB C 13 32.294 0.064 . 1 . . . . 3 PRO CB . 17596 2 35 . 1 1 3 3 PRO CG C 13 22.352 0.094 . 1 . . . . 3 PRO CG . 17596 2 36 . 1 1 3 3 PRO CD C 13 47.876 0.096 . 1 . . . . 3 PRO CD . 17596 2 37 . 1 1 3 3 PRO N N 15 135.718 0.007 . 1 . . . . 3 PRO N . 17596 2 38 . 1 1 4 4 ALA H H 1 8.776 0.002 . 1 . . . . 4 ALA HN . 17596 2 39 . 1 1 4 4 ALA HA H 1 4.355 0.006 . 1 . . . . 4 ALA HA . 17596 2 40 . 1 1 4 4 ALA HB1 H 1 1.453 0.004 . 1 . . . . 4 ALA QB . 17596 2 41 . 1 1 4 4 ALA HB2 H 1 1.453 0.004 . 1 . . . . 4 ALA QB . 17596 2 42 . 1 1 4 4 ALA HB3 H 1 1.453 0.004 . 1 . . . . 4 ALA QB . 17596 2 43 . 1 1 4 4 ALA C C 13 178.102 0.019 . 1 . . . . 4 ALA C . 17596 2 44 . 1 1 4 4 ALA CA C 13 50.783 0.027 . 1 . . . . 4 ALA CA . 17596 2 45 . 1 1 4 4 ALA CB C 13 16.610 0.043 . 1 . . . . 4 ALA CB . 17596 2 46 . 1 1 4 4 ALA N N 15 125.748 0.032 . 1 . . . . 4 ALA N . 17596 2 47 . 1 1 5 5 SER H H 1 8.298 0.003 . 1 . . . . 5 SER HN . 17596 2 48 . 1 1 5 5 SER HA H 1 4.393 0.009 . 1 . . . . 5 SER HA . 17596 2 49 . 1 1 5 5 SER HB2 H 1 3.856 0.010 . 2 . . . . 5 SER QB . 17596 2 50 . 1 1 5 5 SER HB3 H 1 3.856 0.010 . 2 . . . . 5 SER QB . 17596 2 51 . 1 1 5 5 SER C C 13 174.409 0.020 . 1 . . . . 5 SER C . 17596 2 52 . 1 1 5 5 SER CA C 13 55.844 0.009 . 1 . . . . 5 SER CA . 17596 2 53 . 1 1 5 5 SER CB C 13 61.394 0.009 . 1 . . . . 5 SER CB . 17596 2 54 . 1 1 5 5 SER N N 15 114.610 0.039 . 1 . . . . 5 SER N . 17596 2 55 . 1 1 6 6 ALA H H 1 8.264 0.003 . 1 . . . . 6 ALA HN . 17596 2 56 . 1 1 6 6 ALA HA H 1 4.330 0.010 . 1 . . . . 6 ALA HA . 17596 2 57 . 1 1 6 6 ALA HB1 H 1 1.366 0.003 . 1 . . . . 6 ALA QB . 17596 2 58 . 1 1 6 6 ALA HB2 H 1 1.366 0.003 . 1 . . . . 6 ALA QB . 17596 2 59 . 1 1 6 6 ALA HB3 H 1 1.366 0.003 . 1 . . . . 6 ALA QB . 17596 2 60 . 1 1 6 6 ALA C C 13 177.661 0.086 . 1 . . . . 6 ALA C . 17596 2 61 . 1 1 6 6 ALA CA C 13 50.131 0.097 . 1 . . . . 6 ALA CA . 17596 2 62 . 1 1 6 6 ALA CB C 13 16.740 0.010 . 1 . . . . 6 ALA CB . 17596 2 63 . 1 1 6 6 ALA N N 15 126.101 0.117 . 1 . . . . 6 ALA N . 17596 2 64 . 1 1 7 7 ALA H H 1 8.147 0.002 . 1 . . . . 7 ALA HN . 17596 2 65 . 1 1 7 7 ALA HA H 1 4.237 0.010 . 1 . . . . 7 ALA HA . 17596 2 66 . 1 1 7 7 ALA HB1 H 1 1.372 0.004 . 1 . . . . 7 ALA QB . 17596 2 67 . 1 1 7 7 ALA HB2 H 1 1.372 0.004 . 1 . . . . 7 ALA QB . 17596 2 68 . 1 1 7 7 ALA HB3 H 1 1.372 0.004 . 1 . . . . 7 ALA QB . 17596 2 69 . 1 1 7 7 ALA C C 13 178.266 0.018 . 1 . . . . 7 ALA C . 17596 2 70 . 1 1 7 7 ALA CA C 13 50.564 0.048 . 1 . . . . 7 ALA CA . 17596 2 71 . 1 1 7 7 ALA CB C 13 16.498 0.030 . 1 . . . . 7 ALA CB . 17596 2 72 . 1 1 7 7 ALA N N 15 123.233 0.038 . 1 . . . . 7 ALA N . 17596 2 73 . 1 1 8 8 LYS H H 1 8.149 0.002 . 1 . . . . 8 LYS HN . 17596 2 74 . 1 1 8 8 LYS HA H 1 4.202 0.043 . 1 . . . . 8 LYS HA . 17596 2 75 . 1 1 8 8 LYS HB2 H 1 1.812 0.009 . 2 . . . . 8 LYS HB2 . 17596 2 76 . 1 1 8 8 LYS HB3 H 1 1.726 0.008 . 2 . . . . 8 LYS HB3 . 17596 2 77 . 1 1 8 8 LYS HD2 H 1 1.448 0.008 . 2 . . . . 8 LYS QD . 17596 2 78 . 1 1 8 8 LYS HD3 H 1 1.448 0.008 . 2 . . . . 8 LYS QD . 17596 2 79 . 1 1 8 8 LYS C C 13 176.617 0.029 . 1 . . . . 8 LYS C . 17596 2 80 . 1 1 8 8 LYS CA C 13 54.346 0.072 . 1 . . . . 8 LYS CA . 17596 2 81 . 1 1 8 8 LYS CB C 13 30.254 0.043 . 1 . . . . 8 LYS CB . 17596 2 82 . 1 1 8 8 LYS CG C 13 22.231 0.039 . 1 . . . . 8 LYS CG . 17596 2 83 . 1 1 8 8 LYS CD C 13 26.578 0.000 . 1 . . . . 8 LYS CD . 17596 2 84 . 1 1 8 8 LYS CE C 13 39.627 0.000 . 1 . . . . 8 LYS CE . 17596 2 85 . 1 1 8 8 LYS N N 15 119.613 0.030 . 1 . . . . 8 LYS N . 17596 2 86 . 1 1 9 9 ASN H H 1 8.301 0.002 . 1 . . . . 9 ASN HN . 17596 2 87 . 1 1 9 9 ASN HA H 1 4.675 0.009 . 1 . . . . 9 ASN HA . 17596 2 88 . 1 1 9 9 ASN HB2 H 1 2.860 0.008 . 2 . . . . 9 ASN HB2 . 17596 2 89 . 1 1 9 9 ASN HB3 H 1 2.764 0.008 . 2 . . . . 9 ASN HB3 . 17596 2 90 . 1 1 9 9 ASN HD21 H 1 7.604 0.000 . 2 . . . . 9 ASN HD21 . 17596 2 91 . 1 1 9 9 ASN HD22 H 1 6.872 0.001 . 2 . . . . 9 ASN HD22 . 17596 2 92 . 1 1 9 9 ASN C C 13 175.147 0.020 . 1 . . . . 9 ASN C . 17596 2 93 . 1 1 9 9 ASN CA C 13 50.779 0.053 . 1 . . . . 9 ASN CA . 17596 2 94 . 1 1 9 9 ASN CB C 13 36.356 0.057 . 1 . . . . 9 ASN CB . 17596 2 95 . 1 1 9 9 ASN N N 15 119.112 0.006 . 1 . . . . 9 ASN N . 17596 2 96 . 1 1 9 9 ASN ND2 N 15 111.915 0.125 . 1 . . . . 9 ASN ND2 . 17596 2 97 . 1 1 10 10 ALA H H 1 8.193 0.001 . 1 . . . . 10 ALA HN . 17596 2 98 . 1 1 10 10 ALA HA H 1 4.271 0.007 . 1 . . . . 10 ALA HA . 17596 2 99 . 1 1 10 10 ALA HB1 H 1 1.406 0.009 . 1 . . . . 10 ALA QB . 17596 2 100 . 1 1 10 10 ALA HB2 H 1 1.406 0.009 . 1 . . . . 10 ALA QB . 17596 2 101 . 1 1 10 10 ALA HB3 H 1 1.406 0.009 . 1 . . . . 10 ALA QB . 17596 2 102 . 1 1 10 10 ALA C C 13 177.904 0.082 . 1 . . . . 10 ALA C . 17596 2 103 . 1 1 10 10 ALA CA C 13 50.447 0.012 . 1 . . . . 10 ALA CA . 17596 2 104 . 1 1 10 10 ALA CB C 13 16.765 0.035 . 1 . . . . 10 ALA CB . 17596 2 105 . 1 1 10 10 ALA N N 15 124.765 0.001 . 1 . . . . 10 ALA N . 17596 2 106 . 1 1 11 11 LYS H H 1 8.215 0.003 . 1 . . . . 11 LYS HN . 17596 2 107 . 1 1 11 11 LYS HA H 1 4.152 0.048 . 1 . . . . 11 LYS HA . 17596 2 108 . 1 1 11 11 LYS HB2 H 1 1.763 0.024 . 2 . . . . 11 LYS HB2 . 17596 2 109 . 1 1 11 11 LYS HB3 H 1 1.706 0.004 . 2 . . . . 11 LYS HB3 . 17596 2 110 . 1 1 11 11 LYS HG2 H 1 1.395 0.001 . 2 . . . . 11 LYS HG2 . 17596 2 111 . 1 1 11 11 LYS HG3 H 1 1.321 0.001 . 2 . . . . 11 LYS HG3 . 17596 2 112 . 1 1 11 11 LYS HD2 H 1 1.611 0.003 . 2 . . . . 11 LYS QD . 17596 2 113 . 1 1 11 11 LYS HD3 H 1 1.611 0.003 . 2 . . . . 11 LYS QD . 17596 2 114 . 1 1 11 11 LYS HE2 H 1 2.938 0.001 . 2 . . . . 11 LYS QE . 17596 2 115 . 1 1 11 11 LYS HE3 H 1 2.938 0.001 . 2 . . . . 11 LYS QE . 17596 2 116 . 1 1 11 11 LYS C C 13 176.617 0.006 . 1 . . . . 11 LYS C . 17596 2 117 . 1 1 11 11 LYS CA C 13 54.214 0.070 . 1 . . . . 11 LYS CA . 17596 2 118 . 1 1 11 11 LYS CB C 13 30.227 0.069 . 1 . . . . 11 LYS CB . 17596 2 119 . 1 1 11 11 LYS CG C 13 22.291 0.033 . 1 . . . . 11 LYS CG . 17596 2 120 . 1 1 11 11 LYS CD C 13 26.253 0.245 . 1 . . . . 11 LYS CD . 17596 2 121 . 1 1 11 11 LYS CE C 13 39.548 0.043 . 1 . . . . 11 LYS CE . 17596 2 122 . 1 1 11 11 LYS N N 15 120.063 0.112 . 1 . . . . 11 LYS N . 17596 2 123 . 1 1 12 12 LEU H H 1 8.080 0.002 . 1 . . . . 12 LEU HN . 17596 2 124 . 1 1 12 12 LEU HA H 1 4.337 0.007 . 1 . . . . 12 LEU HA . 17596 2 125 . 1 1 12 12 LEU HB2 H 1 1.626 0.007 . 2 . . . . 12 LEU QB . 17596 2 126 . 1 1 12 12 LEU HB3 H 1 1.626 0.007 . 2 . . . . 12 LEU QB . 17596 2 127 . 1 1 12 12 LEU C C 13 177.321 0.009 . 1 . . . . 12 LEU C . 17596 2 128 . 1 1 12 12 LEU CA C 13 52.783 0.025 . 1 . . . . 12 LEU CA . 17596 2 129 . 1 1 12 12 LEU CB C 13 40.003 0.023 . 1 . . . . 12 LEU CB . 17596 2 130 . 1 1 12 12 LEU CG C 13 24.371 0.000 . 1 . . . . 12 LEU CG . 17596 2 131 . 1 1 12 12 LEU CD1 C 13 22.446 0.000 . 2 . . . . 12 LEU CD1 . 17596 2 132 . 1 1 12 12 LEU CD2 C 13 20.991 0.000 . 2 . . . . 12 LEU CD2 . 17596 2 133 . 1 1 12 12 LEU N N 15 123.024 0.026 . 1 . . . . 12 LEU N . 17596 2 134 . 1 1 13 13 ALA H H 1 8.288 0.001 . 1 . . . . 13 ALA HN . 17596 2 135 . 1 1 13 13 ALA HA H 1 4.364 0.010 . 1 . . . . 13 ALA HA . 17596 2 136 . 1 1 13 13 ALA HB1 H 1 1.412 0.013 . 1 . . . . 13 ALA QB . 17596 2 137 . 1 1 13 13 ALA HB2 H 1 1.412 0.013 . 1 . . . . 13 ALA QB . 17596 2 138 . 1 1 13 13 ALA HB3 H 1 1.412 0.013 . 1 . . . . 13 ALA QB . 17596 2 139 . 1 1 13 13 ALA C C 13 178.012 0.050 . 1 . . . . 13 ALA C . 17596 2 140 . 1 1 13 13 ALA CA C 13 50.307 0.031 . 1 . . . . 13 ALA CA . 17596 2 141 . 1 1 13 13 ALA CB C 13 16.752 0.011 . 1 . . . . 13 ALA CB . 17596 2 142 . 1 1 13 13 ALA N N 15 124.960 0.001 . 1 . . . . 13 ALA N . 17596 2 143 . 1 1 14 14 THR H H 1 8.031 0.002 . 1 . . . . 14 THR HN . 17596 2 144 . 1 1 14 14 THR HA H 1 4.351 0.018 . 1 . . . . 14 THR HA . 17596 2 145 . 1 1 14 14 THR HB H 1 4.290 0.007 . 1 . . . . 14 THR HB . 17596 2 146 . 1 1 14 14 THR HG21 H 1 1.207 0.019 . 1 . . . . 14 THR QG2 . 17596 2 147 . 1 1 14 14 THR HG22 H 1 1.207 0.019 . 1 . . . . 14 THR QG2 . 17596 2 148 . 1 1 14 14 THR HG23 H 1 1.207 0.019 . 1 . . . . 14 THR QG2 . 17596 2 149 . 1 1 14 14 THR C C 13 174.709 0.032 . 1 . . . . 14 THR C . 17596 2 150 . 1 1 14 14 THR CA C 13 59.447 0.039 . 1 . . . . 14 THR CA . 17596 2 151 . 1 1 14 14 THR CB C 13 67.282 0.059 . 1 . . . . 14 THR CB . 17596 2 152 . 1 1 14 14 THR CG2 C 13 19.159 0.031 . 1 . . . . 14 THR CG2 . 17596 2 153 . 1 1 14 14 THR N N 15 112.719 0.028 . 1 . . . . 14 THR N . 17596 2 154 . 1 1 15 15 SER H H 1 8.230 0.002 . 1 . . . . 15 SER HN . 17596 2 155 . 1 1 15 15 SER HA H 1 4.451 0.008 . 1 . . . . 15 SER HA . 17596 2 156 . 1 1 15 15 SER HB2 H 1 3.951 0.008 . 2 . . . . 15 SER HB2 . 17596 2 157 . 1 1 15 15 SER HB3 H 1 3.859 0.008 . 2 . . . . 15 SER HB3 . 17596 2 158 . 1 1 15 15 SER C C 13 174.638 0.010 . 1 . . . . 15 SER C . 17596 2 159 . 1 1 15 15 SER CA C 13 56.073 0.032 . 1 . . . . 15 SER CA . 17596 2 160 . 1 1 15 15 SER CB C 13 61.436 0.051 . 1 . . . . 15 SER CB . 17596 2 161 . 1 1 15 15 SER N N 15 117.766 0.086 . 1 . . . . 15 SER N . 17596 2 162 . 1 1 16 16 ALA H H 1 8.333 0.024 . 1 . . . . 16 ALA HN . 17596 2 163 . 1 1 16 16 ALA HA H 1 4.296 0.030 . 1 . . . . 16 ALA HA . 17596 2 164 . 1 1 16 16 ALA HB1 H 1 1.353 0.002 . 1 . . . . 16 ALA QB . 17596 2 165 . 1 1 16 16 ALA HB2 H 1 1.353 0.002 . 1 . . . . 16 ALA QB . 17596 2 166 . 1 1 16 16 ALA HB3 H 1 1.353 0.002 . 1 . . . . 16 ALA QB . 17596 2 167 . 1 1 16 16 ALA C C 13 177.763 0.000 . 1 . . . . 16 ALA C . 17596 2 168 . 1 1 16 16 ALA CA C 13 50.529 0.071 . 1 . . . . 16 ALA CA . 17596 2 169 . 1 1 16 16 ALA CB C 13 16.593 0.047 . 1 . . . . 16 ALA CB . 17596 2 170 . 1 1 16 16 ALA N N 15 126.310 0.089 . 1 . . . . 16 ALA N . 17596 2 171 . 1 1 19 19 ALA HA H 1 4.288 0.010 . 1 . . . . 19 ALA HA . 17596 2 172 . 1 1 19 19 ALA HB1 H 1 1.365 0.001 . 1 . . . . 19 ALA QB . 17596 2 173 . 1 1 19 19 ALA HB2 H 1 1.365 0.001 . 1 . . . . 19 ALA QB . 17596 2 174 . 1 1 19 19 ALA HB3 H 1 1.365 0.001 . 1 . . . . 19 ALA QB . 17596 2 175 . 1 1 19 19 ALA C C 13 177.458 0.000 . 1 . . . . 19 ALA C . 17596 2 176 . 1 1 19 19 ALA CA C 13 50.231 0.007 . 1 . . . . 19 ALA CA . 17596 2 177 . 1 1 19 19 ALA CB C 13 16.827 0.011 . 1 . . . . 19 ALA CB . 17596 2 178 . 1 1 20 20 LYS H H 1 8.142 0.002 . 1 . . . . 20 LYS HN . 17596 2 179 . 1 1 20 20 LYS HA H 1 4.271 0.008 . 1 . . . . 20 LYS HA . 17596 2 180 . 1 1 20 20 LYS HB2 H 1 1.851 0.008 . 2 . . . . 20 LYS HB2 . 17596 2 181 . 1 1 20 20 LYS HB3 H 1 1.765 0.008 . 2 . . . . 20 LYS HB3 . 17596 2 182 . 1 1 20 20 LYS HG2 H 1 1.666 0.000 . 2 . . . . 20 LYS QG . 17596 2 183 . 1 1 20 20 LYS HG3 H 1 1.666 0.000 . 2 . . . . 20 LYS QG . 17596 2 184 . 1 1 20 20 LYS HD2 H 1 1.501 0.000 . 2 . . . . 20 LYS HD2 . 17596 2 185 . 1 1 20 20 LYS HD3 H 1 1.374 0.004 . 2 . . . . 20 LYS HD3 . 17596 2 186 . 1 1 20 20 LYS HE2 H 1 2.977 0.000 . 2 . . . . 20 LYS QE . 17596 2 187 . 1 1 20 20 LYS HE3 H 1 2.977 0.000 . 2 . . . . 20 LYS QE . 17596 2 188 . 1 1 20 20 LYS C C 13 176.733 0.000 . 1 . . . . 20 LYS C . 17596 2 189 . 1 1 20 20 LYS CA C 13 54.024 0.105 . 1 . . . . 20 LYS CA . 17596 2 190 . 1 1 20 20 LYS CB C 13 30.479 0.024 . 1 . . . . 20 LYS CB . 17596 2 191 . 1 1 20 20 LYS CG C 13 22.263 0.000 . 1 . . . . 20 LYS CG . 17596 2 192 . 1 1 20 20 LYS CD C 13 26.299 0.343 . 1 . . . . 20 LYS CD . 17596 2 193 . 1 1 20 20 LYS N N 15 121.022 0.004 . 1 . . . . 20 LYS N . 17596 2 194 . 1 1 21 21 GLN H H 1 8.325 0.001 . 1 . . . . 21 GLN HN . 17596 2 195 . 1 1 21 21 GLN HA H 1 4.320 0.029 . 1 . . . . 21 GLN HA . 17596 2 196 . 1 1 21 21 GLN HB2 H 1 2.099 0.021 . 2 . . . . 21 GLN HB2 . 17596 2 197 . 1 1 21 21 GLN HB3 H 1 1.988 0.016 . 2 . . . . 21 GLN HB3 . 17596 2 198 . 1 1 21 21 GLN HG2 H 1 2.354 0.001 . 2 . . . . 21 GLN QG . 17596 2 199 . 1 1 21 21 GLN HG3 H 1 2.354 0.001 . 2 . . . . 21 GLN QG . 17596 2 200 . 1 1 21 21 GLN C C 13 175.844 0.030 . 1 . . . . 21 GLN C . 17596 2 201 . 1 1 21 21 GLN CA C 13 53.437 0.050 . 1 . . . . 21 GLN CA . 17596 2 202 . 1 1 21 21 GLN CB C 13 27.021 0.098 . 1 . . . . 21 GLN CB . 17596 2 203 . 1 1 21 21 GLN CG C 13 31.296 0.020 . 1 . . . . 21 GLN CG . 17596 2 204 . 1 1 21 21 GLN N N 15 121.824 0.032 . 1 . . . . 21 GLN N . 17596 2 205 . 1 1 22 22 ALA H H 1 8.348 0.003 . 1 . . . . 22 ALA HN . 17596 2 206 . 1 1 22 22 ALA HA H 1 4.308 0.008 . 1 . . . . 22 ALA HA . 17596 2 207 . 1 1 22 22 ALA HB1 H 1 1.389 0.000 . 1 . . . . 22 ALA QB . 17596 2 208 . 1 1 22 22 ALA HB2 H 1 1.389 0.000 . 1 . . . . 22 ALA QB . 17596 2 209 . 1 1 22 22 ALA HB3 H 1 1.389 0.000 . 1 . . . . 22 ALA QB . 17596 2 210 . 1 1 22 22 ALA C C 13 177.736 0.002 . 1 . . . . 22 ALA C . 17596 2 211 . 1 1 22 22 ALA CA C 13 50.187 0.029 . 1 . . . . 22 ALA CA . 17596 2 212 . 1 1 22 22 ALA CB C 13 16.795 0.027 . 1 . . . . 22 ALA CB . 17596 2 213 . 1 1 22 22 ALA N N 15 125.369 0.004 . 1 . . . . 22 ALA N . 17596 2 214 . 1 1 23 23 GLU H H 1 8.392 0.002 . 1 . . . . 23 GLU HN . 17596 2 215 . 1 1 23 23 GLU HA H 1 4.308 0.008 . 1 . . . . 23 GLU HA . 17596 2 216 . 1 1 23 23 GLU HB2 H 1 2.073 0.009 . 2 . . . . 23 GLU HB2 . 17596 2 217 . 1 1 23 23 GLU HB3 H 1 1.952 0.024 . 2 . . . . 23 GLU HB3 . 17596 2 218 . 1 1 23 23 GLU HG2 H 1 2.258 0.005 . 2 . . . . 23 GLU QG . 17596 2 219 . 1 1 23 23 GLU HG3 H 1 2.258 0.005 . 2 . . . . 23 GLU QG . 17596 2 220 . 1 1 23 23 GLU C C 13 177.058 0.016 . 1 . . . . 23 GLU C . 17596 2 221 . 1 1 23 23 GLU CA C 13 54.284 0.152 . 1 . . . . 23 GLU CA . 17596 2 222 . 1 1 23 23 GLU CB C 13 27.807 0.122 . 1 . . . . 23 GLU CB . 17596 2 223 . 1 1 23 23 GLU CG C 13 33.690 0.256 . 1 . . . . 23 GLU CG . 17596 2 224 . 1 1 23 23 GLU N N 15 120.580 0.022 . 1 . . . . 23 GLU N . 17596 2 225 . 1 1 24 24 GLY H H 1 8.448 0.002 . 1 . . . . 24 GLY HN . 17596 2 226 . 1 1 24 24 GLY HA2 H 1 4.048 0.012 . 2 . . . . 24 GLY QA . 17596 2 227 . 1 1 24 24 GLY HA3 H 1 4.048 0.012 . 2 . . . . 24 GLY QA . 17596 2 228 . 1 1 24 24 GLY C C 13 174.334 0.034 . 1 . . . . 24 GLY C . 17596 2 229 . 1 1 24 24 GLY CA C 13 43.046 0.029 . 1 . . . . 24 GLY CA . 17596 2 230 . 1 1 24 24 GLY N N 15 110.021 0.020 . 1 . . . . 24 GLY N . 17596 2 231 . 1 1 25 25 THR H H 1 8.076 0.008 . 1 . . . . 25 THR HN . 17596 2 232 . 1 1 25 25 THR HA H 1 4.454 0.009 . 1 . . . . 25 THR HA . 17596 2 233 . 1 1 25 25 THR HB H 1 4.268 0.006 . 1 . . . . 25 THR HB . 17596 2 234 . 1 1 25 25 THR HG21 H 1 1.167 0.001 . 1 . . . . 25 THR QG2 . 17596 2 235 . 1 1 25 25 THR HG22 H 1 1.167 0.001 . 1 . . . . 25 THR QG2 . 17596 2 236 . 1 1 25 25 THR HG23 H 1 1.167 0.001 . 1 . . . . 25 THR QG2 . 17596 2 237 . 1 1 25 25 THR C C 13 174.747 0.000 . 1 . . . . 25 THR C . 17596 2 238 . 1 1 25 25 THR CA C 13 59.350 0.072 . 1 . . . . 25 THR CA . 17596 2 239 . 1 1 25 25 THR CB C 13 67.527 0.048 . 1 . . . . 25 THR CB . 17596 2 240 . 1 1 25 25 THR CG2 C 13 19.215 0.018 . 1 . . . . 25 THR CG2 . 17596 2 241 . 1 1 25 25 THR N N 15 113.551 0.034 . 1 . . . . 25 THR N . 17596 2 242 . 1 1 26 26 THR H H 1 8.213 0.008 . 1 . . . . 26 THR HN . 17596 2 243 . 1 1 26 26 THR HA H 1 4.414 0.013 . 1 . . . . 26 THR HA . 17596 2 244 . 1 1 26 26 THR HB H 1 4.181 0.033 . 1 . . . . 26 THR HB . 17596 2 245 . 1 1 26 26 THR HG21 H 1 1.204 0.004 . 1 . . . . 26 THR QG2 . 17596 2 246 . 1 1 26 26 THR HG22 H 1 1.204 0.004 . 1 . . . . 26 THR QG2 . 17596 2 247 . 1 1 26 26 THR HG23 H 1 1.204 0.004 . 1 . . . . 26 THR QG2 . 17596 2 248 . 1 1 26 26 THR C C 13 174.133 0.004 . 1 . . . . 26 THR C . 17596 2 249 . 1 1 26 26 THR CA C 13 59.456 0.129 . 1 . . . . 26 THR CA . 17596 2 250 . 1 1 26 26 THR CB C 13 67.545 0.181 . 1 . . . . 26 THR CB . 17596 2 251 . 1 1 26 26 THR CG2 C 13 19.163 0.009 . 1 . . . . 26 THR CG2 . 17596 2 252 . 1 1 26 26 THR N N 15 116.163 0.183 . 1 . . . . 26 THR N . 17596 2 253 . 1 1 27 27 CYS HA H 1 4.732 0.005 . 1 . . . . 27 CYS HA . 17596 2 254 . 1 1 27 27 CYS HB3 H 1 2.830 0.000 . 2 . . . . 27 CYS HB3 . 17596 2 255 . 1 1 27 27 CYS C C 13 175.025 0.000 . 1 . . . . 27 CYS C . 17596 2 256 . 1 1 27 27 CYS CA C 13 50.851 0.080 . 1 . . . . 27 CYS CA . 17596 2 257 . 1 1 27 27 CYS CB C 13 36.545 0.050 . 1 . . . . 27 CYS CB . 17596 2 258 . 1 1 28 28 ASN H H 1 8.465 0.005 . 1 . . . . 28 ASN HN . 17596 2 259 . 1 1 28 28 ASN HA H 1 4.739 0.017 . 1 . . . . 28 ASN HA . 17596 2 260 . 1 1 28 28 ASN HB2 H 1 2.831 0.009 . 2 . . . . 28 ASN QB . 17596 2 261 . 1 1 28 28 ASN HB3 H 1 2.831 0.009 . 2 . . . . 28 ASN QB . 17596 2 262 . 1 1 28 28 ASN C C 13 175.601 0.000 . 1 . . . . 28 ASN C . 17596 2 263 . 1 1 28 28 ASN CA C 13 53.185 0.007 . 1 . . . . 28 ASN CA . 17596 2 264 . 1 1 28 28 ASN CB C 13 26.448 0.000 . 1 . . . . 28 ASN CB . 17596 2 265 . 1 1 28 28 ASN N N 15 119.766 0.207 . 1 . . . . 28 ASN N . 17596 2 266 . 1 1 29 29 VAL HA H 1 3.844 0.006 . 1 . . . . 29 VAL HA . 17596 2 267 . 1 1 29 29 VAL HB H 1 2.111 0.004 . 1 . . . . 29 VAL HB . 17596 2 268 . 1 1 29 29 VAL HG11 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 2 269 . 1 1 29 29 VAL HG12 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 2 270 . 1 1 29 29 VAL HG13 H 1 1.013 0.006 . 2 . . . . 29 VAL QG1 . 17596 2 271 . 1 1 29 29 VAL HG21 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 2 272 . 1 1 29 29 VAL HG22 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 2 273 . 1 1 29 29 VAL HG23 H 1 0.990 0.004 . 2 . . . . 29 VAL QG2 . 17596 2 274 . 1 1 29 29 VAL CA C 13 62.420 0.128 . 1 . . . . 29 VAL CA . 17596 2 275 . 1 1 29 29 VAL CB C 13 29.437 0.074 . 1 . . . . 29 VAL CB . 17596 2 276 . 1 1 29 29 VAL CG1 C 13 19.002 0.140 . 2 . . . . 29 VAL CG1 . 17596 2 277 . 1 1 29 29 VAL CG2 C 13 18.413 0.037 . 2 . . . . 29 VAL CG2 . 17596 2 278 . 1 1 29 29 VAL N N 15 121.799 0.000 . 1 . . . . 29 VAL N . 17596 2 279 . 1 1 30 30 GLY HA2 H 1 4.111 0.000 . 2 . . . . 30 GLY QA . 17596 2 280 . 1 1 30 30 GLY HA3 H 1 4.111 0.000 . 2 . . . . 30 GLY QA . 17596 2 281 . 1 1 31 31 SER HA H 1 4.689 0.001 . 1 . . . . 31 SER HA . 17596 2 282 . 1 1 31 31 SER HB2 H 1 4.005 0.001 . 2 . . . . 31 SER QB . 17596 2 283 . 1 1 31 31 SER HB3 H 1 4.005 0.001 . 2 . . . . 31 SER QB . 17596 2 284 . 1 1 32 32 ILE H H 1 8.236 0.005 . 1 . . . . 32 ILE HN . 17596 2 285 . 1 1 32 32 ILE HA H 1 4.734 0.009 . 1 . . . . 32 ILE HA . 17596 2 286 . 1 1 32 32 ILE HB H 1 1.905 0.006 . 1 . . . . 32 ILE HB . 17596 2 287 . 1 1 32 32 ILE HG12 H 1 1.625 0.005 . 2 . . . . 32 ILE HG12 . 17596 2 288 . 1 1 32 32 ILE HG13 H 1 1.205 0.006 . 2 . . . . 32 ILE HG13 . 17596 2 289 . 1 1 32 32 ILE HG21 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 2 290 . 1 1 32 32 ILE HG22 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 2 291 . 1 1 32 32 ILE HG23 H 1 0.999 0.003 . 1 . . . . 32 ILE QG2 . 17596 2 292 . 1 1 32 32 ILE HD11 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 2 293 . 1 1 32 32 ILE HD12 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 2 294 . 1 1 32 32 ILE HD13 H 1 0.723 0.005 . 1 . . . . 32 ILE QD1 . 17596 2 295 . 1 1 32 32 ILE C C 13 174.848 0.016 . 1 . . . . 32 ILE C . 17596 2 296 . 1 1 32 32 ILE CA C 13 58.822 0.050 . 1 . . . . 32 ILE CA . 17596 2 297 . 1 1 32 32 ILE CB C 13 35.534 0.101 . 1 . . . . 32 ILE CB . 17596 2 298 . 1 1 32 32 ILE CG1 C 13 26.302 0.071 . 1 . . . . 32 ILE CG1 . 17596 2 299 . 1 1 32 32 ILE CG2 C 13 16.312 0.058 . 1 . . . . 32 ILE CG2 . 17596 2 300 . 1 1 32 32 ILE CD1 C 13 10.687 0.122 . 1 . . . . 32 ILE CD1 . 17596 2 301 . 1 1 32 32 ILE N N 15 115.138 0.146 . 1 . . . . 32 ILE N . 17596 2 302 . 1 1 33 33 ALA H H 1 9.172 0.005 . 1 . . . . 33 ALA HN . 17596 2 303 . 1 1 33 33 ALA HA H 1 5.020 0.007 . 1 . . . . 33 ALA HA . 17596 2 304 . 1 1 33 33 ALA HB1 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 2 305 . 1 1 33 33 ALA HB2 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 2 306 . 1 1 33 33 ALA HB3 H 1 1.127 0.009 . 1 . . . . 33 ALA QB . 17596 2 307 . 1 1 33 33 ALA C C 13 175.086 0.034 . 1 . . . . 33 ALA C . 17596 2 308 . 1 1 33 33 ALA CA C 13 48.193 0.057 . 1 . . . . 33 ALA CA . 17596 2 309 . 1 1 33 33 ALA CB C 13 23.820 0.043 . 1 . . . . 33 ALA CB . 17596 2 310 . 1 1 33 33 ALA N N 15 129.673 0.031 . 1 . . . . 33 ALA N . 17596 2 311 . 1 1 34 34 CYS H H 1 7.933 0.007 . 1 . . . . 34 CYS HN . 17596 2 312 . 1 1 34 34 CYS HA H 1 5.970 0.004 . 1 . . . . 34 CYS HA . 17596 2 313 . 1 1 34 34 CYS HB2 H 1 3.785 0.009 . 2 . . . . 34 CYS HB2 . 17596 2 314 . 1 1 34 34 CYS HB3 H 1 2.380 0.008 . 2 . . . . 34 CYS HB3 . 17596 2 315 . 1 1 34 34 CYS C C 13 175.639 0.070 . 1 . . . . 34 CYS C . 17596 2 316 . 1 1 34 34 CYS CA C 13 48.542 0.028 . 1 . . . . 34 CYS CA . 17596 2 317 . 1 1 34 34 CYS CB C 13 35.081 0.093 . 1 . . . . 34 CYS CB . 17596 2 318 . 1 1 34 34 CYS N N 15 113.858 0.130 . 1 . . . . 34 CYS N . 17596 2 319 . 1 1 35 35 CYS H H 1 9.428 0.006 . 1 . . . . 35 CYS HN . 17596 2 320 . 1 1 35 35 CYS HA H 1 6.022 0.009 . 1 . . . . 35 CYS HA . 17596 2 321 . 1 1 35 35 CYS HB2 H 1 2.919 0.007 . 2 . . . . 35 CYS HB2 . 17596 2 322 . 1 1 35 35 CYS HB3 H 1 2.607 0.005 . 2 . . . . 35 CYS HB3 . 17596 2 323 . 1 1 35 35 CYS C C 13 173.312 0.003 . 1 . . . . 35 CYS C . 17596 2 324 . 1 1 35 35 CYS CA C 13 52.285 0.041 . 1 . . . . 35 CYS CA . 17596 2 325 . 1 1 35 35 CYS CB C 13 47.488 0.061 . 1 . . . . 35 CYS CB . 17596 2 326 . 1 1 35 35 CYS N N 15 118.605 0.023 . 1 . . . . 35 CYS N . 17596 2 327 . 1 1 36 36 ASN H H 1 8.357 0.015 . 1 . . . . 36 ASN HN . 17596 2 328 . 1 1 36 36 ASN HA H 1 5.378 0.006 . 1 . . . . 36 ASN HA . 17596 2 329 . 1 1 36 36 ASN HB2 H 1 2.724 0.010 . 2 . . . . 36 ASN HB2 . 17596 2 330 . 1 1 36 36 ASN HB3 H 1 2.531 0.009 . 2 . . . . 36 ASN HB3 . 17596 2 331 . 1 1 36 36 ASN C C 13 175.100 0.001 . 1 . . . . 36 ASN C . 17596 2 332 . 1 1 36 36 ASN CA C 13 47.801 0.071 . 1 . . . . 36 ASN CA . 17596 2 333 . 1 1 36 36 ASN CB C 13 38.728 0.045 . 1 . . . . 36 ASN CB . 17596 2 334 . 1 1 36 36 ASN N N 15 121.706 0.095 . 1 . . . . 36 ASN N . 17596 2 335 . 1 1 37 37 SER H H 1 8.928 0.022 . 1 . . . . 37 SER HN . 17596 2 336 . 1 1 37 37 SER HA H 1 4.381 0.009 . 1 . . . . 37 SER HA . 17596 2 337 . 1 1 37 37 SER HB2 H 1 4.249 0.008 . 2 . . . . 37 SER HB2 . 17596 2 338 . 1 1 37 37 SER HB3 H 1 3.912 0.015 . 2 . . . . 37 SER HB3 . 17596 2 339 . 1 1 37 37 SER C C 13 173.315 0.000 . 1 . . . . 37 SER C . 17596 2 340 . 1 1 37 37 SER CA C 13 54.740 0.068 . 1 . . . . 37 SER CA . 17596 2 341 . 1 1 37 37 SER CB C 13 59.663 0.124 . 1 . . . . 37 SER CB . 17596 2 342 . 1 1 37 37 SER N N 15 116.566 0.042 . 1 . . . . 37 SER N . 17596 2 343 . 1 1 38 38 PRO HA H 1 4.433 0.009 . 1 . . . . 38 PRO HA . 17596 2 344 . 1 1 38 38 PRO HB2 H 1 2.302 0.010 . 2 . . . . 38 PRO HB2 . 17596 2 345 . 1 1 38 38 PRO HB3 H 1 1.953 0.008 . 2 . . . . 38 PRO HB3 . 17596 2 346 . 1 1 38 38 PRO HG2 H 1 1.907 0.005 . 2 . . . . 38 PRO QG . 17596 2 347 . 1 1 38 38 PRO HG3 H 1 1.907 0.005 . 2 . . . . 38 PRO QG . 17596 2 348 . 1 1 38 38 PRO HD2 H 1 3.802 0.019 . 2 . . . . 38 PRO HD2 . 17596 2 349 . 1 1 38 38 PRO HD3 H 1 3.706 0.003 . 2 . . . . 38 PRO HD3 . 17596 2 350 . 1 1 38 38 PRO C C 13 176.713 0.005 . 1 . . . . 38 PRO C . 17596 2 351 . 1 1 38 38 PRO CA C 13 61.100 0.088 . 1 . . . . 38 PRO CA . 17596 2 352 . 1 1 38 38 PRO CB C 13 29.691 0.109 . 1 . . . . 38 PRO CB . 17596 2 353 . 1 1 38 38 PRO CG C 13 24.920 0.001 . 1 . . . . 38 PRO CG . 17596 2 354 . 1 1 38 38 PRO CD C 13 48.444 0.067 . 1 . . . . 38 PRO CD . 17596 2 355 . 1 1 38 38 PRO N N 15 138.838 0.000 . 1 . . . . 38 PRO N . 17596 2 356 . 1 1 39 39 ALA H H 1 8.293 0.002 . 1 . . . . 39 ALA HN . 17596 2 357 . 1 1 39 39 ALA HA H 1 4.259 0.008 . 1 . . . . 39 ALA HA . 17596 2 358 . 1 1 39 39 ALA HB1 H 1 1.377 0.010 . 1 . . . . 39 ALA QB . 17596 2 359 . 1 1 39 39 ALA HB2 H 1 1.377 0.010 . 1 . . . . 39 ALA QB . 17596 2 360 . 1 1 39 39 ALA HB3 H 1 1.377 0.010 . 1 . . . . 39 ALA QB . 17596 2 361 . 1 1 39 39 ALA C C 13 177.762 0.022 . 1 . . . . 39 ALA C . 17596 2 362 . 1 1 39 39 ALA CA C 13 50.277 0.026 . 1 . . . . 39 ALA CA . 17596 2 363 . 1 1 39 39 ALA CB C 13 16.795 0.057 . 1 . . . . 39 ALA CB . 17596 2 364 . 1 1 39 39 ALA N N 15 123.552 0.068 . 1 . . . . 39 ALA N . 17596 2 365 . 1 1 40 40 GLU H H 1 8.299 0.006 . 1 . . . . 40 GLU HN . 17596 2 366 . 1 1 40 40 GLU HA H 1 4.385 0.012 . 1 . . . . 40 GLU HA . 17596 2 367 . 1 1 40 40 GLU HB2 H 1 2.088 0.023 . 2 . . . . 40 GLU HB2 . 17596 2 368 . 1 1 40 40 GLU HB3 H 1 1.966 0.011 . 2 . . . . 40 GLU HB3 . 17596 2 369 . 1 1 40 40 GLU HG3 H 1 2.270 0.008 . 2 . . . . 40 GLU HG3 . 17596 2 370 . 1 1 40 40 GLU C C 13 176.626 0.000 . 1 . . . . 40 GLU C . 17596 2 371 . 1 1 40 40 GLU CA C 13 54.014 0.045 . 1 . . . . 40 GLU CA . 17596 2 372 . 1 1 40 40 GLU CB C 13 27.607 0.020 . 1 . . . . 40 GLU CB . 17596 2 373 . 1 1 40 40 GLU CG C 13 32.998 0.003 . 1 . . . . 40 GLU CG . 17596 2 374 . 1 1 40 40 GLU N N 15 119.414 0.019 . 1 . . . . 40 GLU N . 17596 2 375 . 1 1 41 41 THR H H 1 8.151 0.005 . 1 . . . . 41 THR HN . 17596 2 376 . 1 1 41 41 THR HA H 1 4.350 0.008 . 1 . . . . 41 THR HA . 17596 2 377 . 1 1 41 41 THR HB H 1 4.204 0.009 . 1 . . . . 41 THR HB . 17596 2 378 . 1 1 41 41 THR HG21 H 1 1.191 0.000 . 1 . . . . 41 THR QG2 . 17596 2 379 . 1 1 41 41 THR HG22 H 1 1.191 0.000 . 1 . . . . 41 THR QG2 . 17596 2 380 . 1 1 41 41 THR HG23 H 1 1.191 0.000 . 1 . . . . 41 THR QG2 . 17596 2 381 . 1 1 41 41 THR CA C 13 59.442 0.037 . 1 . . . . 41 THR CA . 17596 2 382 . 1 1 41 41 THR CB C 13 67.451 0.057 . 1 . . . . 41 THR CB . 17596 2 383 . 1 1 41 41 THR CG2 C 13 19.137 0.000 . 1 . . . . 41 THR CG2 . 17596 2 384 . 1 1 41 41 THR N N 15 114.842 0.017 . 1 . . . . 41 THR N . 17596 2 385 . 1 1 42 42 ASN H H 1 8.446 0.002 . 1 . . . . 42 ASN HN . 17596 2 386 . 1 1 42 42 ASN HA H 1 4.584 0.002 . 1 . . . . 42 ASN HA . 17596 2 387 . 1 1 42 42 ASN HB2 H 1 2.831 0.005 . 2 . . . . 42 ASN HB2 . 17596 2 388 . 1 1 42 42 ASN HB3 H 1 2.752 0.004 . 2 . . . . 42 ASN HB3 . 17596 2 389 . 1 1 42 42 ASN CA C 13 51.482 0.157 . 1 . . . . 42 ASN CA . 17596 2 390 . 1 1 42 42 ASN CB C 13 36.563 0.179 . 1 . . . . 42 ASN CB . 17596 2 391 . 1 1 42 42 ASN N N 15 120.638 0.062 . 1 . . . . 42 ASN N . 17596 2 392 . 1 1 43 43 ASN H H 1 8.446 0.004 . 1 . . . . 43 ASN HN . 17596 2 393 . 1 1 43 43 ASN HA H 1 4.715 0.010 . 1 . . . . 43 ASN HA . 17596 2 394 . 1 1 43 43 ASN HB2 H 1 2.863 0.010 . 2 . . . . 43 ASN HB2 . 17596 2 395 . 1 1 43 43 ASN HB3 H 1 2.754 0.008 . 2 . . . . 43 ASN HB3 . 17596 2 396 . 1 1 43 43 ASN C C 13 175.312 0.002 . 1 . . . . 43 ASN C . 17596 2 397 . 1 1 43 43 ASN CA C 13 51.307 0.088 . 1 . . . . 43 ASN CA . 17596 2 398 . 1 1 43 43 ASN CB C 13 36.410 0.031 . 1 . . . . 43 ASN CB . 17596 2 399 . 1 1 43 43 ASN N N 15 119.666 0.008 . 1 . . . . 43 ASN N . 17596 2 400 . 1 1 44 44 ASP H H 1 8.381 0.001 . 1 . . . . 44 ASP HN . 17596 2 401 . 1 1 44 44 ASP HA H 1 4.569 0.014 . 1 . . . . 44 ASP HA . 17596 2 402 . 1 1 44 44 ASP HB2 H 1 2.721 0.014 . 2 . . . . 44 ASP HB2 . 17596 2 403 . 1 1 44 44 ASP HB3 H 1 2.664 0.002 . 2 . . . . 44 ASP HB3 . 17596 2 404 . 1 1 44 44 ASP C C 13 177.000 0.000 . 1 . . . . 44 ASP C . 17596 2 405 . 1 1 44 44 ASP CA C 13 52.738 0.124 . 1 . . . . 44 ASP CA . 17596 2 406 . 1 1 44 44 ASP CB C 13 38.271 0.064 . 1 . . . . 44 ASP CB . 17596 2 407 . 1 1 44 44 ASP N N 15 120.844 0.000 . 1 . . . . 44 ASP N . 17596 2 408 . 1 1 45 45 SER H H 1 8.288 0.002 . 1 . . . . 45 SER HN . 17596 2 409 . 1 1 45 45 SER HA H 1 4.380 0.011 . 1 . . . . 45 SER HA . 17596 2 410 . 1 1 45 45 SER HB2 H 1 3.922 0.010 . 2 . . . . 45 SER QB . 17596 2 411 . 1 1 45 45 SER HB3 H 1 3.922 0.010 . 2 . . . . 45 SER QB . 17596 2 412 . 1 1 45 45 SER C C 13 175.354 0.041 . 1 . . . . 45 SER C . 17596 2 413 . 1 1 45 45 SER CA C 13 57.169 0.058 . 1 . . . . 45 SER CA . 17596 2 414 . 1 1 45 45 SER CB C 13 61.128 0.051 . 1 . . . . 45 SER CB . 17596 2 415 . 1 1 45 45 SER N N 15 116.424 0.009 . 1 . . . . 45 SER N . 17596 2 416 . 1 1 46 46 LEU H H 1 8.128 0.002 . 1 . . . . 46 LEU HN . 17596 2 417 . 1 1 46 46 LEU HA H 1 4.297 0.009 . 1 . . . . 46 LEU HA . 17596 2 418 . 1 1 46 46 LEU HB2 H 1 1.718 0.006 . 2 . . . . 46 LEU HB2 . 17596 2 419 . 1 1 46 46 LEU HB3 H 1 1.633 0.007 . 2 . . . . 46 LEU HB3 . 17596 2 420 . 1 1 46 46 LEU HG H 1 1.672 0.002 . 1 . . . . 46 LEU HG . 17596 2 421 . 1 1 46 46 LEU HD11 H 1 0.917 0.005 . 2 . . . . 46 LEU QD1 . 17596 2 422 . 1 1 46 46 LEU HD12 H 1 0.917 0.005 . 2 . . . . 46 LEU QD1 . 17596 2 423 . 1 1 46 46 LEU HD13 H 1 0.917 0.005 . 2 . . . . 46 LEU QD1 . 17596 2 424 . 1 1 46 46 LEU HD21 H 1 0.912 0.025 . 2 . . . . 46 LEU QD2 . 17596 2 425 . 1 1 46 46 LEU HD22 H 1 0.912 0.025 . 2 . . . . 46 LEU QD2 . 17596 2 426 . 1 1 46 46 LEU HD23 H 1 0.912 0.025 . 2 . . . . 46 LEU QD2 . 17596 2 427 . 1 1 46 46 LEU C C 13 177.881 0.019 . 1 . . . . 46 LEU C . 17596 2 428 . 1 1 46 46 LEU CA C 13 53.788 0.058 . 1 . . . . 46 LEU CA . 17596 2 429 . 1 1 46 46 LEU CB C 13 39.638 0.030 . 1 . . . . 46 LEU CB . 17596 2 430 . 1 1 46 46 LEU CG C 13 24.608 0.066 . 1 . . . . 46 LEU CG . 17596 2 431 . 1 1 46 46 LEU CD1 C 13 22.630 0.059 . 2 . . . . 46 LEU CD1 . 17596 2 432 . 1 1 46 46 LEU CD2 C 13 21.057 0.047 . 2 . . . . 46 LEU CD2 . 17596 2 433 . 1 1 46 46 LEU N N 15 123.555 0.065 . 1 . . . . 46 LEU N . 17596 2 434 . 1 1 47 47 LEU H H 1 8.052 0.002 . 1 . . . . 47 LEU HN . 17596 2 435 . 1 1 47 47 LEU HA H 1 4.271 0.019 . 1 . . . . 47 LEU HA . 17596 2 436 . 1 1 47 47 LEU HB2 H 1 1.730 0.026 . 2 . . . . 47 LEU HB2 . 17596 2 437 . 1 1 47 47 LEU HB3 H 1 1.646 0.041 . 2 . . . . 47 LEU HB3 . 17596 2 438 . 1 1 47 47 LEU HG H 1 1.771 0.001 . 1 . . . . 47 LEU HG . 17596 2 439 . 1 1 47 47 LEU HD11 H 1 0.984 0.006 . 2 . . . . 47 LEU QD1 . 17596 2 440 . 1 1 47 47 LEU HD12 H 1 0.984 0.006 . 2 . . . . 47 LEU QD1 . 17596 2 441 . 1 1 47 47 LEU HD13 H 1 0.984 0.006 . 2 . . . . 47 LEU QD1 . 17596 2 442 . 1 1 47 47 LEU HD21 H 1 0.992 0.001 . 2 . . . . 47 LEU QD2 . 17596 2 443 . 1 1 47 47 LEU HD22 H 1 0.992 0.001 . 2 . . . . 47 LEU QD2 . 17596 2 444 . 1 1 47 47 LEU HD23 H 1 0.992 0.001 . 2 . . . . 47 LEU QD2 . 17596 2 445 . 1 1 47 47 LEU C C 13 178.056 0.066 . 1 . . . . 47 LEU C . 17596 2 446 . 1 1 47 47 LEU CA C 13 53.449 0.063 . 1 . . . . 47 LEU CA . 17596 2 447 . 1 1 47 47 LEU CB C 13 39.492 0.062 . 1 . . . . 47 LEU CB . 17596 2 448 . 1 1 47 47 LEU CG C 13 24.213 0.127 . 1 . . . . 47 LEU CG . 17596 2 449 . 1 1 47 47 LEU CD1 C 13 22.621 0.051 . 2 . . . . 47 LEU CD1 . 17596 2 450 . 1 1 47 47 LEU CD2 C 13 20.592 0.132 . 2 . . . . 47 LEU CD2 . 17596 2 451 . 1 1 47 47 LEU N N 15 120.640 0.014 . 1 . . . . 47 LEU N . 17596 2 452 . 1 1 48 48 SER H H 1 8.080 0.002 . 1 . . . . 48 SER HN . 17596 2 453 . 1 1 48 48 SER HA H 1 4.342 0.007 . 1 . . . . 48 SER HA . 17596 2 454 . 1 1 48 48 SER HB2 H 1 3.920 0.008 . 2 . . . . 48 SER QB . 17596 2 455 . 1 1 48 48 SER HB3 H 1 3.920 0.008 . 2 . . . . 48 SER QB . 17596 2 456 . 1 1 48 48 SER C C 13 175.757 0.070 . 1 . . . . 48 SER C . 17596 2 457 . 1 1 48 48 SER CA C 13 57.134 0.019 . 1 . . . . 48 SER CA . 17596 2 458 . 1 1 48 48 SER CB C 13 61.167 0.061 . 1 . . . . 48 SER CB . 17596 2 459 . 1 1 48 48 SER N N 15 114.933 0.046 . 1 . . . . 48 SER N . 17596 2 460 . 1 1 49 49 GLY H H 1 8.250 0.003 . 1 . . . . 49 GLY HN . 17596 2 461 . 1 1 49 49 GLY HA2 H 1 3.984 0.010 . 2 . . . . 49 GLY QA . 17596 2 462 . 1 1 49 49 GLY HA3 H 1 3.984 0.010 . 2 . . . . 49 GLY QA . 17596 2 463 . 1 1 49 49 GLY C C 13 174.676 0.019 . 1 . . . . 49 GLY C . 17596 2 464 . 1 1 49 49 GLY CA C 13 43.314 0.067 . 1 . . . . 49 GLY CA . 17596 2 465 . 1 1 49 49 GLY N N 15 110.398 0.018 . 1 . . . . 49 GLY N . 17596 2 466 . 1 1 50 50 LEU H H 1 7.978 0.004 . 1 . . . . 50 LEU HN . 17596 2 467 . 1 1 50 50 LEU HA H 1 4.317 0.009 . 1 . . . . 50 LEU HA . 17596 2 468 . 1 1 50 50 LEU HB2 H 1 1.698 0.019 . 2 . . . . 50 LEU HB2 . 17596 2 469 . 1 1 50 50 LEU HB3 H 1 1.578 0.007 . 2 . . . . 50 LEU HB3 . 17596 2 470 . 1 1 50 50 LEU C C 13 177.786 0.106 . 1 . . . . 50 LEU C . 17596 2 471 . 1 1 50 50 LEU CA C 13 53.408 0.054 . 1 . . . . 50 LEU CA . 17596 2 472 . 1 1 50 50 LEU CB C 13 39.903 0.043 . 1 . . . . 50 LEU CB . 17596 2 473 . 1 1 50 50 LEU CG C 13 24.488 0.000 . 1 . . . . 50 LEU CG . 17596 2 474 . 1 1 50 50 LEU CD1 C 13 22.517 0.000 . 2 . . . . 50 LEU CD1 . 17596 2 475 . 1 1 50 50 LEU CD2 C 13 20.897 0.000 . 2 . . . . 50 LEU CD2 . 17596 2 476 . 1 1 50 50 LEU N N 15 121.609 0.001 . 1 . . . . 50 LEU N . 17596 2 477 . 1 1 51 51 LEU H H 1 8.166 0.003 . 1 . . . . 51 LEU HN . 17596 2 478 . 1 1 51 51 LEU HA H 1 4.332 0.009 . 1 . . . . 51 LEU HA . 17596 2 479 . 1 1 51 51 LEU HB2 H 1 1.728 0.009 . 2 . . . . 51 LEU HB2 . 17596 2 480 . 1 1 51 51 LEU HB3 H 1 1.599 0.009 . 2 . . . . 51 LEU HB3 . 17596 2 481 . 1 1 51 51 LEU C C 13 178.330 0.012 . 1 . . . . 51 LEU C . 17596 2 482 . 1 1 51 51 LEU CA C 13 53.160 0.104 . 1 . . . . 51 LEU CA . 17596 2 483 . 1 1 51 51 LEU CB C 13 39.641 0.058 . 1 . . . . 51 LEU CB . 17596 2 484 . 1 1 51 51 LEU CG C 13 24.474 0.000 . 1 . . . . 51 LEU CG . 17596 2 485 . 1 1 51 51 LEU CD1 C 13 22.569 0.000 . 2 . . . . 51 LEU CD1 . 17596 2 486 . 1 1 51 51 LEU CD2 C 13 20.975 0.000 . 2 . . . . 51 LEU CD2 . 17596 2 487 . 1 1 51 51 LEU N N 15 121.250 0.000 . 1 . . . . 51 LEU N . 17596 2 488 . 1 1 52 52 GLY H H 1 8.250 0.002 . 1 . . . . 52 GLY HN . 17596 2 489 . 1 1 52 52 GLY HA2 H 1 3.954 0.047 . 2 . . . . 52 GLY QA . 17596 2 490 . 1 1 52 52 GLY HA3 H 1 3.954 0.047 . 2 . . . . 52 GLY QA . 17596 2 491 . 1 1 52 52 GLY C C 13 174.324 0.000 . 1 . . . . 52 GLY C . 17596 2 492 . 1 1 52 52 GLY CA C 13 43.271 0.041 . 1 . . . . 52 GLY CA . 17596 2 493 . 1 1 52 52 GLY N N 15 109.031 0.004 . 1 . . . . 52 GLY N . 17596 2 494 . 1 1 53 53 ALA HA H 1 4.290 0.009 . 1 . . . . 53 ALA HA . 17596 2 495 . 1 1 53 53 ALA HB1 H 1 1.421 0.001 . 1 . . . . 53 ALA QB . 17596 2 496 . 1 1 53 53 ALA HB2 H 1 1.421 0.001 . 1 . . . . 53 ALA QB . 17596 2 497 . 1 1 53 53 ALA HB3 H 1 1.421 0.001 . 1 . . . . 53 ALA QB . 17596 2 498 . 1 1 53 53 ALA C C 13 178.405 0.000 . 1 . . . . 53 ALA C . 17596 2 499 . 1 1 53 53 ALA CA C 13 50.683 0.009 . 1 . . . . 53 ALA CA . 17596 2 500 . 1 1 53 53 ALA CB C 13 16.559 0.033 . 1 . . . . 53 ALA CB . 17596 2 501 . 1 1 54 54 GLY H H 1 8.346 0.002 . 1 . . . . 54 GLY HN . 17596 2 502 . 1 1 54 54 GLY HA2 H 1 3.937 0.012 . 2 . . . . 54 GLY QA . 17596 2 503 . 1 1 54 54 GLY HA3 H 1 3.937 0.012 . 2 . . . . 54 GLY QA . 17596 2 504 . 1 1 54 54 GLY C C 13 174.354 0.012 . 1 . . . . 54 GLY C . 17596 2 505 . 1 1 54 54 GLY CA C 13 43.154 0.068 . 1 . . . . 54 GLY CA . 17596 2 506 . 1 1 54 54 GLY N N 15 107.879 0.066 . 1 . . . . 54 GLY N . 17596 2 507 . 1 1 55 55 LEU H H 1 8.047 0.002 . 1 . . . . 55 LEU HN . 17596 2 508 . 1 1 55 55 LEU HA H 1 4.373 0.008 . 1 . . . . 55 LEU HA . 17596 2 509 . 1 1 55 55 LEU HB2 H 1 1.656 0.008 . 2 . . . . 55 LEU QB . 17596 2 510 . 1 1 55 55 LEU HB3 H 1 1.656 0.008 . 2 . . . . 55 LEU QB . 17596 2 511 . 1 1 55 55 LEU C C 13 177.984 0.000 . 1 . . . . 55 LEU C . 17596 2 512 . 1 1 55 55 LEU CA C 13 52.998 0.000 . 1 . . . . 55 LEU CA . 17596 2 513 . 1 1 55 55 LEU CB C 13 39.889 0.000 . 1 . . . . 55 LEU CB . 17596 2 514 . 1 1 55 55 LEU N N 15 121.352 0.007 . 1 . . . . 55 LEU N . 17596 2 515 . 1 1 56 56 LEU HA H 1 4.352 0.008 . 1 . . . . 56 LEU HA . 17596 2 516 . 1 1 56 56 LEU HB2 H 1 1.647 0.008 . 2 . . . . 56 LEU QB . 17596 2 517 . 1 1 56 56 LEU HB3 H 1 1.647 0.008 . 2 . . . . 56 LEU QB . 17596 2 518 . 1 1 56 56 LEU C C 13 177.258 0.000 . 1 . . . . 56 LEU C . 17596 2 519 . 1 1 56 56 LEU CA C 13 52.939 0.031 . 1 . . . . 56 LEU CA . 17596 2 520 . 1 1 56 56 LEU CB C 13 39.629 0.042 . 1 . . . . 56 LEU CB . 17596 2 521 . 1 1 56 56 LEU CG C 13 24.313 0.000 . 1 . . . . 56 LEU CG . 17596 2 522 . 1 1 56 56 LEU CD1 C 13 22.719 0.000 . 2 . . . . 56 LEU CD1 . 17596 2 523 . 1 1 56 56 LEU CD2 C 13 21.006 0.000 . 2 . . . . 56 LEU CD2 . 17596 2 524 . 1 1 57 57 ASN H H 1 8.279 0.002 . 1 . . . . 57 ASN HN . 17596 2 525 . 1 1 57 57 ASN HA H 1 4.669 0.007 . 1 . . . . 57 ASN HA . 17596 2 526 . 1 1 57 57 ASN HB2 H 1 2.815 0.013 . 2 . . . . 57 ASN QB . 17596 2 527 . 1 1 57 57 ASN HB3 H 1 2.815 0.013 . 2 . . . . 57 ASN QB . 17596 2 528 . 1 1 57 57 ASN C C 13 175.858 0.055 . 1 . . . . 57 ASN C . 17596 2 529 . 1 1 57 57 ASN CA C 13 51.264 0.033 . 1 . . . . 57 ASN CA . 17596 2 530 . 1 1 57 57 ASN CB C 13 36.409 0.081 . 1 . . . . 57 ASN CB . 17596 2 531 . 1 1 57 57 ASN N N 15 118.666 0.006 . 1 . . . . 57 ASN N . 17596 2 532 . 1 1 58 58 GLY H H 1 8.310 0.001 . 1 . . . . 58 GLY HN . 17596 2 533 . 1 1 58 58 GLY HA2 H 1 3.945 0.007 . 2 . . . . 58 GLY QA . 17596 2 534 . 1 1 58 58 GLY HA3 H 1 3.945 0.007 . 2 . . . . 58 GLY QA . 17596 2 535 . 1 1 58 58 GLY C C 13 174.371 0.000 . 1 . . . . 58 GLY C . 17596 2 536 . 1 1 58 58 GLY CA C 13 43.274 0.021 . 1 . . . . 58 GLY CA . 17596 2 537 . 1 1 58 58 GLY N N 15 108.758 0.021 . 1 . . . . 58 GLY N . 17596 2 538 . 1 1 59 59 LEU H H 1 7.942 0.005 . 1 . . . . 59 LEU HN . 17596 2 539 . 1 1 59 59 LEU HA H 1 4.378 0.046 . 1 . . . . 59 LEU HA . 17596 2 540 . 1 1 59 59 LEU HB2 H 1 1.629 0.008 . 2 . . . . 59 LEU HB2 . 17596 2 541 . 1 1 59 59 LEU HB3 H 1 1.695 0.007 . 2 . . . . 59 LEU HB3 . 17596 2 542 . 1 1 59 59 LEU C C 13 177.587 0.000 . 1 . . . . 59 LEU C . 17596 2 543 . 1 1 59 59 LEU CA C 13 52.978 0.091 . 1 . . . . 59 LEU CA . 17596 2 544 . 1 1 59 59 LEU CB C 13 39.931 0.043 . 1 . . . . 59 LEU CB . 17596 2 545 . 1 1 59 59 LEU CG C 13 24.418 0.000 . 1 . . . . 59 LEU CG . 17596 2 546 . 1 1 59 59 LEU CD1 C 13 22.662 0.000 . 2 . . . . 59 LEU CD1 . 17596 2 547 . 1 1 59 59 LEU CD2 C 13 20.865 0.000 . 2 . . . . 59 LEU CD2 . 17596 2 548 . 1 1 59 59 LEU N N 15 121.120 0.000 . 1 . . . . 59 LEU N . 17596 2 549 . 1 1 60 60 SER H H 1 8.267 0.003 . 1 . . . . 60 SER HN . 17596 2 550 . 1 1 60 60 SER HA H 1 4.459 0.009 . 1 . . . . 60 SER HA . 17596 2 551 . 1 1 60 60 SER HB2 H 1 3.892 0.008 . 2 . . . . 60 SER QB . 17596 2 552 . 1 1 60 60 SER HB3 H 1 3.892 0.008 . 2 . . . . 60 SER QB . 17596 2 553 . 1 1 60 60 SER C C 13 175.029 0.000 . 1 . . . . 60 SER C . 17596 2 554 . 1 1 60 60 SER CA C 13 56.137 0.026 . 1 . . . . 60 SER CA . 17596 2 555 . 1 1 60 60 SER CB C 13 61.512 0.036 . 1 . . . . 60 SER CB . 17596 2 556 . 1 1 60 60 SER N N 15 115.825 0.013 . 1 . . . . 60 SER N . 17596 2 557 . 1 1 61 61 GLY H H 1 8.371 0.001 . 1 . . . . 61 GLY HN . 17596 2 558 . 1 1 61 61 GLY HA2 H 1 3.999 0.008 . 2 . . . . 61 GLY QA . 17596 2 559 . 1 1 61 61 GLY HA3 H 1 3.999 0.008 . 2 . . . . 61 GLY QA . 17596 2 560 . 1 1 61 61 GLY C C 13 173.988 0.011 . 1 . . . . 61 GLY C . 17596 2 561 . 1 1 61 61 GLY CA C 13 43.072 0.020 . 1 . . . . 61 GLY CA . 17596 2 562 . 1 1 61 61 GLY N N 15 110.466 0.005 . 1 . . . . 61 GLY N . 17596 2 563 . 1 1 62 62 ASN H H 1 8.352 0.001 . 1 . . . . 62 ASN HN . 17596 2 564 . 1 1 62 62 ASN HA H 1 4.820 0.008 . 1 . . . . 62 ASN HA . 17596 2 565 . 1 1 62 62 ASN HB2 H 1 2.879 0.017 . 2 . . . . 62 ASN HB2 . 17596 2 566 . 1 1 62 62 ASN HB3 H 1 2.779 0.008 . 2 . . . . 62 ASN HB3 . 17596 2 567 . 1 1 62 62 ASN HD21 H 1 7.629 0.000 . 2 . . . . 62 ASN HD21 . 17596 2 568 . 1 1 62 62 ASN HD22 H 1 6.859 0.002 . 2 . . . . 62 ASN HD22 . 17596 2 569 . 1 1 62 62 ASN C C 13 175.741 0.011 . 1 . . . . 62 ASN C . 17596 2 570 . 1 1 62 62 ASN CA C 13 50.784 0.061 . 1 . . . . 62 ASN CA . 17596 2 571 . 1 1 62 62 ASN CB C 13 36.510 0.063 . 1 . . . . 62 ASN CB . 17596 2 572 . 1 1 62 62 ASN N N 15 118.930 0.000 . 1 . . . . 62 ASN N . 17596 2 573 . 1 1 62 62 ASN ND2 N 15 111.311 0.050 . 1 . . . . 62 ASN ND2 . 17596 2 574 . 1 1 63 63 THR H H 1 8.201 0.002 . 1 . . . . 63 THR HN . 17596 2 575 . 1 1 63 63 THR HA H 1 4.346 0.007 . 1 . . . . 63 THR HA . 17596 2 576 . 1 1 63 63 THR HG21 H 1 1.198 0.001 . 1 . . . . 63 THR QG2 . 17596 2 577 . 1 1 63 63 THR HG22 H 1 1.198 0.001 . 1 . . . . 63 THR QG2 . 17596 2 578 . 1 1 63 63 THR HG23 H 1 1.198 0.001 . 1 . . . . 63 THR QG2 . 17596 2 579 . 1 1 63 63 THR C C 13 175.193 0.094 . 1 . . . . 63 THR C . 17596 2 580 . 1 1 63 63 THR CA C 13 59.803 0.020 . 1 . . . . 63 THR CA . 17596 2 581 . 1 1 63 63 THR CB C 13 67.242 0.072 . 1 . . . . 63 THR CB . 17596 2 582 . 1 1 63 63 THR CG2 C 13 19.161 0.000 . 1 . . . . 63 THR CG2 . 17596 2 583 . 1 1 63 63 THR N N 15 113.920 0.016 . 1 . . . . 63 THR N . 17596 2 584 . 1 1 64 64 GLY H H 1 8.459 0.002 . 1 . . . . 64 GLY HN . 17596 2 585 . 1 1 64 64 GLY HA2 H 1 4.013 0.008 . 2 . . . . 64 GLY QA . 17596 2 586 . 1 1 64 64 GLY HA3 H 1 4.013 0.008 . 2 . . . . 64 GLY QA . 17596 2 587 . 1 1 64 64 GLY C C 13 174.481 0.011 . 1 . . . . 64 GLY C . 17596 2 588 . 1 1 64 64 GLY CA C 13 43.133 0.042 . 1 . . . . 64 GLY CA . 17596 2 589 . 1 1 64 64 GLY N N 15 111.048 0.031 . 1 . . . . 64 GLY N . 17596 2 590 . 1 1 65 65 SER H H 1 8.199 0.002 . 1 . . . . 65 SER HN . 17596 2 591 . 1 1 65 65 SER HA H 1 4.429 0.034 . 1 . . . . 65 SER HA . 17596 2 592 . 1 1 65 65 SER HB2 H 1 3.908 0.002 . 2 . . . . 65 SER QB . 17596 2 593 . 1 1 65 65 SER HB3 H 1 3.908 0.002 . 2 . . . . 65 SER QB . 17596 2 594 . 1 1 65 65 SER C C 13 174.550 0.009 . 1 . . . . 65 SER C . 17596 2 595 . 1 1 65 65 SER CA C 13 56.028 0.046 . 1 . . . . 65 SER CA . 17596 2 596 . 1 1 65 65 SER CB C 13 61.440 0.142 . 1 . . . . 65 SER CB . 17596 2 597 . 1 1 65 65 SER N N 15 115.946 0.011 . 1 . . . . 65 SER N . 17596 2 598 . 1 1 66 66 ALA H H 1 8.213 0.001 . 1 . . . . 66 ALA HN . 17596 2 599 . 1 1 66 66 ALA HA H 1 4.357 0.000 . 1 . . . . 66 ALA HA . 17596 2 600 . 1 1 66 66 ALA HB1 H 1 1.280 0.000 . 1 . . . . 66 ALA QB . 17596 2 601 . 1 1 66 66 ALA HB2 H 1 1.280 0.000 . 1 . . . . 66 ALA QB . 17596 2 602 . 1 1 66 66 ALA HB3 H 1 1.280 0.000 . 1 . . . . 66 ALA QB . 17596 2 603 . 1 1 66 66 ALA C C 13 177.797 0.021 . 1 . . . . 66 ALA C . 17596 2 604 . 1 1 66 66 ALA CA C 13 50.351 0.078 . 1 . . . . 66 ALA CA . 17596 2 605 . 1 1 66 66 ALA CB C 13 16.666 0.131 . 1 . . . . 66 ALA CB . 17596 2 606 . 1 1 66 66 ALA N N 15 126.109 0.038 . 1 . . . . 66 ALA N . 17596 2 607 . 1 1 67 67 CYS H H 1 7.945 0.003 . 1 . . . . 67 CYS HN . 17596 2 608 . 1 1 67 67 CYS HA H 1 4.611 0.037 . 1 . . . . 67 CYS HA . 17596 2 609 . 1 1 67 67 CYS HB2 H 1 3.170 0.030 . 2 . . . . 67 CYS HB2 . 17596 2 610 . 1 1 67 67 CYS HB3 H 1 3.019 0.015 . 2 . . . . 67 CYS HB3 . 17596 2 611 . 1 1 67 67 CYS C C 13 175.873 0.000 . 1 . . . . 67 CYS C . 17596 2 612 . 1 1 67 67 CYS CA C 13 55.286 0.062 . 1 . . . . 67 CYS CA . 17596 2 613 . 1 1 67 67 CYS CB C 13 37.047 0.134 . 1 . . . . 67 CYS CB . 17596 2 614 . 1 1 67 67 CYS N N 15 118.546 0.076 . 1 . . . . 67 CYS N . 17596 2 615 . 1 1 68 68 ALA H H 1 8.040 0.002 . 1 . . . . 68 ALA HN . 17596 2 616 . 1 1 68 68 ALA HA H 1 4.300 0.010 . 1 . . . . 68 ALA HA . 17596 2 617 . 1 1 68 68 ALA HB1 H 1 1.405 0.007 . 1 . . . . 68 ALA QB . 17596 2 618 . 1 1 68 68 ALA HB2 H 1 1.405 0.007 . 1 . . . . 68 ALA QB . 17596 2 619 . 1 1 68 68 ALA HB3 H 1 1.405 0.007 . 1 . . . . 68 ALA QB . 17596 2 620 . 1 1 68 68 ALA C C 13 177.688 0.000 . 1 . . . . 68 ALA C . 17596 2 621 . 1 1 68 68 ALA CA C 13 50.297 0.024 . 1 . . . . 68 ALA CA . 17596 2 622 . 1 1 68 68 ALA CB C 13 16.833 0.044 . 1 . . . . 68 ALA CB . 17596 2 623 . 1 1 68 68 ALA N N 15 124.809 0.128 . 1 . . . . 68 ALA N . 17596 2 624 . 1 1 69 69 LYS H H 1 8.463 0.002 . 1 . . . . 69 LYS HN . 17596 2 625 . 1 1 69 69 LYS C C 13 177.279 0.000 . 1 . . . . 69 LYS C . 17596 2 626 . 1 1 69 69 LYS N N 15 120.838 0.047 . 1 . . . . 69 LYS N . 17596 2 627 . 1 1 70 70 ALA H H 1 8.366 0.004 . 1 . . . . 70 ALA HN . 17596 2 628 . 1 1 70 70 ALA HA H 1 3.799 0.013 . 1 . . . . 70 ALA HA . 17596 2 629 . 1 1 70 70 ALA HB1 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 2 630 . 1 1 70 70 ALA HB2 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 2 631 . 1 1 70 70 ALA HB3 H 1 1.215 0.008 . 1 . . . . 70 ALA QB . 17596 2 632 . 1 1 70 70 ALA CA C 13 53.526 0.064 . 1 . . . . 70 ALA CA . 17596 2 633 . 1 1 70 70 ALA CB C 13 16.200 0.050 . 1 . . . . 70 ALA CB . 17596 2 634 . 1 1 70 70 ALA N N 15 124.172 0.000 . 1 . . . . 70 ALA N . 17596 2 635 . 1 1 71 71 SER H H 1 8.656 0.006 . 1 . . . . 71 SER HN . 17596 2 636 . 1 1 71 71 SER HA H 1 4.166 0.011 . 1 . . . . 71 SER HA . 17596 2 637 . 1 1 71 71 SER HB2 H 1 3.903 0.015 . 2 . . . . 71 SER QB . 17596 2 638 . 1 1 71 71 SER HB3 H 1 3.903 0.015 . 2 . . . . 71 SER QB . 17596 2 639 . 1 1 71 71 SER C C 13 176.883 0.000 . 1 . . . . 71 SER C . 17596 2 640 . 1 1 71 71 SER CA C 13 58.404 0.048 . 1 . . . . 71 SER CA . 17596 2 641 . 1 1 71 71 SER CB C 13 59.350 0.173 . 1 . . . . 71 SER CB . 17596 2 642 . 1 1 71 71 SER N N 15 109.573 0.045 . 1 . . . . 71 SER N . 17596 2 643 . 1 1 72 72 LEU H H 1 7.006 0.003 . 1 . . . . 72 LEU HN . 17596 2 644 . 1 1 72 72 LEU HA H 1 4.293 0.006 . 1 . . . . 72 LEU HA . 17596 2 645 . 1 1 72 72 LEU HB2 H 1 1.859 0.005 . 2 . . . . 72 LEU HB2 . 17596 2 646 . 1 1 72 72 LEU HB3 H 1 1.640 0.005 . 2 . . . . 72 LEU HB3 . 17596 2 647 . 1 1 72 72 LEU HG H 1 1.594 0.002 . 1 . . . . 72 LEU HG . 17596 2 648 . 1 1 72 72 LEU HD11 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 2 649 . 1 1 72 72 LEU HD12 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 2 650 . 1 1 72 72 LEU HD13 H 1 0.937 0.003 . 2 . . . . 72 LEU QD1 . 17596 2 651 . 1 1 72 72 LEU HD21 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 2 652 . 1 1 72 72 LEU HD22 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 2 653 . 1 1 72 72 LEU HD23 H 1 0.987 0.005 . 2 . . . . 72 LEU QD2 . 17596 2 654 . 1 1 72 72 LEU C C 13 178.740 0.020 . 1 . . . . 72 LEU C . 17596 2 655 . 1 1 72 72 LEU CA C 13 54.809 0.019 . 1 . . . . 72 LEU CA . 17596 2 656 . 1 1 72 72 LEU CB C 13 40.166 0.091 . 1 . . . . 72 LEU CB . 17596 2 657 . 1 1 72 72 LEU CG C 13 24.753 0.120 . 1 . . . . 72 LEU CG . 17596 2 658 . 1 1 72 72 LEU CD1 C 13 23.203 0.106 . 2 . . . . 72 LEU CD1 . 17596 2 659 . 1 1 72 72 LEU CD2 C 13 21.613 0.111 . 2 . . . . 72 LEU CD2 . 17596 2 660 . 1 1 72 72 LEU N N 15 125.089 0.038 . 1 . . . . 72 LEU N . 17596 2 661 . 1 1 73 73 ILE H H 1 8.070 0.005 . 1 . . . . 73 ILE HN . 17596 2 662 . 1 1 73 73 ILE HA H 1 3.248 0.007 . 1 . . . . 73 ILE HA . 17596 2 663 . 1 1 73 73 ILE HB H 1 1.915 0.012 . 1 . . . . 73 ILE HB . 17596 2 664 . 1 1 73 73 ILE HG12 H 1 1.728 0.002 . 2 . . . . 73 ILE HG12 . 17596 2 665 . 1 1 73 73 ILE HG13 H 1 0.806 0.003 . 2 . . . . 73 ILE HG13 . 17596 2 666 . 1 1 73 73 ILE HG21 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 2 667 . 1 1 73 73 ILE HG22 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 2 668 . 1 1 73 73 ILE HG23 H 1 0.708 0.003 . 1 . . . . 73 ILE QG2 . 17596 2 669 . 1 1 73 73 ILE HD11 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 2 670 . 1 1 73 73 ILE HD12 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 2 671 . 1 1 73 73 ILE HD13 H 1 0.686 0.004 . 1 . . . . 73 ILE QD1 . 17596 2 672 . 1 1 73 73 ILE C C 13 179.135 0.025 . 1 . . . . 73 ILE C . 17596 2 673 . 1 1 73 73 ILE CA C 13 64.287 0.043 . 1 . . . . 73 ILE CA . 17596 2 674 . 1 1 73 73 ILE CB C 13 34.850 0.081 . 1 . . . . 73 ILE CB . 17596 2 675 . 1 1 73 73 ILE CG1 C 13 27.814 0.074 . 1 . . . . 73 ILE CG1 . 17596 2 676 . 1 1 73 73 ILE CG2 C 13 14.128 0.080 . 1 . . . . 73 ILE CG2 . 17596 2 677 . 1 1 73 73 ILE CD1 C 13 12.545 0.053 . 1 . . . . 73 ILE CD1 . 17596 2 678 . 1 1 73 73 ILE N N 15 120.677 0.020 . 1 . . . . 73 ILE N . 17596 2 679 . 1 1 74 74 ASP H H 1 8.102 0.003 . 1 . . . . 74 ASP HN . 17596 2 680 . 1 1 74 74 ASP HA H 1 4.438 0.012 . 1 . . . . 74 ASP HA . 17596 2 681 . 1 1 74 74 ASP HB2 H 1 2.714 0.009 . 2 . . . . 74 ASP HB2 . 17596 2 682 . 1 1 74 74 ASP HB3 H 1 2.544 0.013 . 2 . . . . 74 ASP HB3 . 17596 2 683 . 1 1 74 74 ASP C C 13 178.408 0.033 . 1 . . . . 74 ASP C . 17596 2 684 . 1 1 74 74 ASP CA C 13 54.314 0.067 . 1 . . . . 74 ASP CA . 17596 2 685 . 1 1 74 74 ASP CB C 13 38.328 0.031 . 1 . . . . 74 ASP CB . 17596 2 686 . 1 1 74 74 ASP N N 15 118.007 0.057 . 1 . . . . 74 ASP N . 17596 2 687 . 1 1 75 75 GLN H H 1 7.936 0.003 . 1 . . . . 75 GLN HN . 17596 2 688 . 1 1 75 75 GLN HA H 1 4.082 0.009 . 1 . . . . 75 GLN HA . 17596 2 689 . 1 1 75 75 GLN HB2 H 1 2.270 0.009 . 2 . . . . 75 GLN HB2 . 17596 2 690 . 1 1 75 75 GLN HB3 H 1 2.074 0.007 . 2 . . . . 75 GLN HB3 . 17596 2 691 . 1 1 75 75 GLN HG2 H 1 2.486 0.004 . 2 . . . . 75 GLN HG2 . 17596 2 692 . 1 1 75 75 GLN HG3 H 1 2.330 0.005 . 2 . . . . 75 GLN HG3 . 17596 2 693 . 1 1 75 75 GLN HE21 H 1 7.387 0.003 . 2 . . . . 75 GLN HE21 . 17596 2 694 . 1 1 75 75 GLN HE22 H 1 6.724 0.004 . 2 . . . . 75 GLN HE22 . 17596 2 695 . 1 1 75 75 GLN C C 13 177.740 0.011 . 1 . . . . 75 GLN C . 17596 2 696 . 1 1 75 75 GLN CA C 13 56.411 0.040 . 1 . . . . 75 GLN CA . 17596 2 697 . 1 1 75 75 GLN CB C 13 27.093 0.037 . 1 . . . . 75 GLN CB . 17596 2 698 . 1 1 75 75 GLN CG C 13 31.198 0.078 . 1 . . . . 75 GLN CG . 17596 2 699 . 1 1 75 75 GLN N N 15 119.900 0.024 . 1 . . . . 75 GLN N . 17596 2 700 . 1 1 75 75 GLN NE2 N 15 110.243 0.174 . 1 . . . . 75 GLN NE2 . 17596 2 701 . 1 1 76 76 LEU H H 1 8.347 0.006 . 1 . . . . 76 LEU HN . 17596 2 702 . 1 1 76 76 LEU HA H 1 4.377 0.008 . 1 . . . . 76 LEU HA . 17596 2 703 . 1 1 76 76 LEU HB2 H 1 1.637 0.004 . 2 . . . . 76 LEU HB2 . 17596 2 704 . 1 1 76 76 LEU HB3 H 1 1.530 0.006 . 2 . . . . 76 LEU HB3 . 17596 2 705 . 1 1 76 76 LEU HG H 1 1.711 0.002 . 1 . . . . 76 LEU HG . 17596 2 706 . 1 1 76 76 LEU HD11 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 2 707 . 1 1 76 76 LEU HD12 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 2 708 . 1 1 76 76 LEU HD13 H 1 0.805 0.004 . 2 . . . . 76 LEU QD1 . 17596 2 709 . 1 1 76 76 LEU HD21 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 2 710 . 1 1 76 76 LEU HD22 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 2 711 . 1 1 76 76 LEU HD23 H 1 0.785 0.003 . 2 . . . . 76 LEU QD2 . 17596 2 712 . 1 1 76 76 LEU C C 13 176.875 0.029 . 1 . . . . 76 LEU C . 17596 2 713 . 1 1 76 76 LEU CA C 13 52.010 0.099 . 1 . . . . 76 LEU CA . 17596 2 714 . 1 1 76 76 LEU CB C 13 40.003 0.044 . 1 . . . . 76 LEU CB . 17596 2 715 . 1 1 76 76 LEU CG C 13 24.610 0.045 . 1 . . . . 76 LEU CG . 17596 2 716 . 1 1 76 76 LEU CD1 C 13 23.280 0.115 . 2 . . . . 76 LEU CD1 . 17596 2 717 . 1 1 76 76 LEU CD2 C 13 20.213 0.061 . 2 . . . . 76 LEU CD2 . 17596 2 718 . 1 1 76 76 LEU N N 15 114.404 0.091 . 1 . . . . 76 LEU N . 17596 2 719 . 1 1 77 77 GLY H H 1 7.790 0.006 . 1 . . . . 77 GLY HN . 17596 2 720 . 1 1 77 77 GLY HA2 H 1 3.945 0.016 . 2 . . . . 77 GLY QA . 17596 2 721 . 1 1 77 77 GLY HA3 H 1 3.945 0.016 . 2 . . . . 77 GLY QA . 17596 2 722 . 1 1 77 77 GLY C C 13 176.543 0.035 . 1 . . . . 77 GLY C . 17596 2 723 . 1 1 77 77 GLY CA C 13 44.626 0.115 . 1 . . . . 77 GLY CA . 17596 2 724 . 1 1 77 77 GLY N N 15 109.693 0.039 . 1 . . . . 77 GLY N . 17596 2 725 . 1 1 78 78 LEU H H 1 7.585 0.004 . 1 . . . . 78 LEU HN . 17596 2 726 . 1 1 78 78 LEU HA H 1 4.572 0.008 . 1 . . . . 78 LEU HA . 17596 2 727 . 1 1 78 78 LEU HB2 H 1 1.842 0.003 . 2 . . . . 78 LEU HB2 . 17596 2 728 . 1 1 78 78 LEU HB3 H 1 1.281 0.004 . 2 . . . . 78 LEU HB3 . 17596 2 729 . 1 1 78 78 LEU HG H 1 1.576 0.003 . 1 . . . . 78 LEU HG . 17596 2 730 . 1 1 78 78 LEU HD11 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 2 731 . 1 1 78 78 LEU HD12 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 2 732 . 1 1 78 78 LEU HD13 H 1 0.623 0.004 . 2 . . . . 78 LEU QD1 . 17596 2 733 . 1 1 78 78 LEU HD21 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 2 734 . 1 1 78 78 LEU HD22 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 2 735 . 1 1 78 78 LEU HD23 H 1 0.646 0.004 . 2 . . . . 78 LEU QD2 . 17596 2 736 . 1 1 78 78 LEU C C 13 176.543 0.011 . 1 . . . . 78 LEU C . 17596 2 737 . 1 1 78 78 LEU CA C 13 50.300 0.096 . 1 . . . . 78 LEU CA . 17596 2 738 . 1 1 78 78 LEU CB C 13 37.129 0.047 . 1 . . . . 78 LEU CB . 17596 2 739 . 1 1 78 78 LEU CG C 13 23.583 0.037 . 1 . . . . 78 LEU CG . 17596 2 740 . 1 1 78 78 LEU CD1 C 13 23.163 0.097 . 2 . . . . 78 LEU CD1 . 17596 2 741 . 1 1 78 78 LEU CD2 C 13 20.573 0.039 . 2 . . . . 78 LEU CD2 . 17596 2 742 . 1 1 78 78 LEU N N 15 119.747 0.021 . 1 . . . . 78 LEU N . 17596 2 743 . 1 1 79 79 LEU H H 1 8.034 0.002 . 1 . . . . 79 LEU HN . 17596 2 744 . 1 1 79 79 LEU HA H 1 3.865 0.005 . 1 . . . . 79 LEU HA . 17596 2 745 . 1 1 79 79 LEU HB2 H 1 1.743 0.013 . 2 . . . . 79 LEU HB2 . 17596 2 746 . 1 1 79 79 LEU HB3 H 1 1.625 0.005 . 2 . . . . 79 LEU HB3 . 17596 2 747 . 1 1 79 79 LEU HG H 1 1.623 0.003 . 1 . . . . 79 LEU HG . 17596 2 748 . 1 1 79 79 LEU HD11 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 2 749 . 1 1 79 79 LEU HD12 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 2 750 . 1 1 79 79 LEU HD13 H 1 0.955 0.003 . 2 . . . . 79 LEU QD1 . 17596 2 751 . 1 1 79 79 LEU HD21 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 2 752 . 1 1 79 79 LEU HD22 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 2 753 . 1 1 79 79 LEU HD23 H 1 0.824 0.006 . 2 . . . . 79 LEU QD2 . 17596 2 754 . 1 1 79 79 LEU C C 13 179.049 0.045 . 1 . . . . 79 LEU C . 17596 2 755 . 1 1 79 79 LEU CA C 13 54.568 0.038 . 1 . . . . 79 LEU CA . 17596 2 756 . 1 1 79 79 LEU CB C 13 39.004 0.035 . 1 . . . . 79 LEU CB . 17596 2 757 . 1 1 79 79 LEU CG C 13 24.856 0.011 . 1 . . . . 79 LEU CG . 17596 2 758 . 1 1 79 79 LEU CD1 C 13 22.611 0.000 . 2 . . . . 79 LEU CD1 . 17596 2 759 . 1 1 79 79 LEU CD2 C 13 20.301 0.040 . 2 . . . . 79 LEU CD2 . 17596 2 760 . 1 1 79 79 LEU N N 15 122.111 0.039 . 1 . . . . 79 LEU N . 17596 2 761 . 1 1 80 80 ALA H H 1 8.877 0.007 . 1 . . . . 80 ALA HN . 17596 2 762 . 1 1 80 80 ALA HA H 1 4.226 0.012 . 1 . . . . 80 ALA HA . 17596 2 763 . 1 1 80 80 ALA HB1 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 2 764 . 1 1 80 80 ALA HB2 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 2 765 . 1 1 80 80 ALA HB3 H 1 1.396 0.009 . 1 . . . . 80 ALA QB . 17596 2 766 . 1 1 80 80 ALA C C 13 179.355 0.044 . 1 . . . . 80 ALA C . 17596 2 767 . 1 1 80 80 ALA CA C 13 51.752 0.029 . 1 . . . . 80 ALA CA . 17596 2 768 . 1 1 80 80 ALA CB C 13 16.479 0.049 . 1 . . . . 80 ALA CB . 17596 2 769 . 1 1 80 80 ALA N N 15 120.085 0.018 . 1 . . . . 80 ALA N . 17596 2 770 . 1 1 81 81 LEU H H 1 7.489 0.004 . 1 . . . . 81 LEU HN . 17596 2 771 . 1 1 81 81 LEU HA H 1 4.421 0.013 . 1 . . . . 81 LEU HA . 17596 2 772 . 1 1 81 81 LEU HB2 H 1 1.852 0.010 . 2 . . . . 81 LEU HB2 . 17596 2 773 . 1 1 81 81 LEU HB3 H 1 1.525 0.017 . 2 . . . . 81 LEU HB3 . 17596 2 774 . 1 1 81 81 LEU HG H 1 1.417 0.003 . 1 . . . . 81 LEU HG . 17596 2 775 . 1 1 81 81 LEU HD11 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 2 776 . 1 1 81 81 LEU HD12 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 2 777 . 1 1 81 81 LEU HD13 H 1 0.885 0.006 . 2 . . . . 81 LEU QD1 . 17596 2 778 . 1 1 81 81 LEU HD21 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 2 779 . 1 1 81 81 LEU HD22 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 2 780 . 1 1 81 81 LEU HD23 H 1 0.699 0.005 . 2 . . . . 81 LEU QD2 . 17596 2 781 . 1 1 81 81 LEU C C 13 177.622 0.035 . 1 . . . . 81 LEU C . 17596 2 782 . 1 1 81 81 LEU CA C 13 52.873 0.130 . 1 . . . . 81 LEU CA . 17596 2 783 . 1 1 81 81 LEU CB C 13 41.845 0.061 . 1 . . . . 81 LEU CB . 17596 2 784 . 1 1 81 81 LEU CG C 13 25.083 0.052 . 1 . . . . 81 LEU CG . 17596 2 785 . 1 1 81 81 LEU CD1 C 13 25.098 0.014 . 2 . . . . 81 LEU CD1 . 17596 2 786 . 1 1 81 81 LEU CD2 C 13 20.753 0.072 . 2 . . . . 81 LEU CD2 . 17596 2 787 . 1 1 81 81 LEU N N 15 113.168 0.020 . 1 . . . . 81 LEU N . 17596 2 788 . 1 1 82 82 VAL H H 1 7.808 0.004 . 1 . . . . 82 VAL HN . 17596 2 789 . 1 1 82 82 VAL HA H 1 5.063 0.011 . 1 . . . . 82 VAL HA . 17596 2 790 . 1 1 82 82 VAL HB H 1 2.075 0.017 . 1 . . . . 82 VAL HB . 17596 2 791 . 1 1 82 82 VAL HG11 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 2 792 . 1 1 82 82 VAL HG12 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 2 793 . 1 1 82 82 VAL HG13 H 1 0.729 0.003 . 2 . . . . 82 VAL QG1 . 17596 2 794 . 1 1 82 82 VAL HG21 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 2 795 . 1 1 82 82 VAL HG22 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 2 796 . 1 1 82 82 VAL HG23 H 1 0.777 0.003 . 2 . . . . 82 VAL QG2 . 17596 2 797 . 1 1 82 82 VAL C C 13 173.690 0.024 . 1 . . . . 82 VAL C . 17596 2 798 . 1 1 82 82 VAL CA C 13 58.191 0.085 . 1 . . . . 82 VAL CA . 17596 2 799 . 1 1 82 82 VAL CB C 13 33.112 0.046 . 1 . . . . 82 VAL CB . 17596 2 800 . 1 1 82 82 VAL CG1 C 13 20.239 0.045 . 2 . . . . 82 VAL CG1 . 17596 2 801 . 1 1 82 82 VAL CG2 C 13 17.813 0.082 . 2 . . . . 82 VAL CG2 . 17596 2 802 . 1 1 82 82 VAL N N 15 116.754 0.027 . 1 . . . . 82 VAL N . 17596 2 803 . 1 1 83 83 ASP H H 1 8.711 0.005 . 1 . . . . 83 ASP HN . 17596 2 804 . 1 1 83 83 ASP HA H 1 5.029 0.016 . 1 . . . . 83 ASP HA . 17596 2 805 . 1 1 83 83 ASP HB2 H 1 2.437 0.022 . 2 . . . . 83 ASP HB2 . 17596 2 806 . 1 1 83 83 ASP HB3 H 1 2.126 0.016 . 2 . . . . 83 ASP HB3 . 17596 2 807 . 1 1 83 83 ASP C C 13 175.166 0.029 . 1 . . . . 83 ASP C . 17596 2 808 . 1 1 83 83 ASP CA C 13 49.145 0.082 . 1 . . . . 83 ASP CA . 17596 2 809 . 1 1 83 83 ASP CB C 13 42.593 0.140 . 1 . . . . 83 ASP CB . 17596 2 810 . 1 1 83 83 ASP N N 15 121.419 0.049 . 1 . . . . 83 ASP N . 17596 2 811 . 1 1 84 84 HIS H H 1 8.850 0.015 . 1 . . . . 84 HIS HN . 17596 2 812 . 1 1 84 84 HIS HA H 1 4.599 0.006 . 1 . . . . 84 HIS HA . 17596 2 813 . 1 1 84 84 HIS HB2 H 1 3.126 0.059 . 2 . . . . 84 HIS HB2 . 17596 2 814 . 1 1 84 84 HIS HB3 H 1 3.202 0.007 . 2 . . . . 84 HIS HB3 . 17596 2 815 . 1 1 84 84 HIS HD2 H 1 7.473 0.025 . 1 . . . . 84 HIS HD2 . 17596 2 816 . 1 1 84 84 HIS HE1 H 1 8.323 0.000 . 1 . . . . 84 HIS HE1 . 17596 2 817 . 1 1 84 84 HIS C C 13 173.878 0.024 . 1 . . . . 84 HIS C . 17596 2 818 . 1 1 84 84 HIS CA C 13 54.102 0.421 . 1 . . . . 84 HIS CA . 17596 2 819 . 1 1 84 84 HIS CB C 13 27.687 0.304 . 1 . . . . 84 HIS CB . 17596 2 820 . 1 1 84 84 HIS N N 15 119.499 0.062 . 1 . . . . 84 HIS N . 17596 2 821 . 1 1 85 85 THR H H 1 7.227 0.007 . 1 . . . . 85 THR HN . 17596 2 822 . 1 1 85 85 THR HA H 1 4.860 0.006 . 1 . . . . 85 THR HA . 17596 2 823 . 1 1 85 85 THR HB H 1 4.452 0.009 . 1 . . . . 85 THR HB . 17596 2 824 . 1 1 85 85 THR HG21 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 2 825 . 1 1 85 85 THR HG22 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 2 826 . 1 1 85 85 THR HG23 H 1 1.158 0.007 . 1 . . . . 85 THR QG2 . 17596 2 827 . 1 1 85 85 THR C C 13 176.014 0.000 . 1 . . . . 85 THR C . 17596 2 828 . 1 1 85 85 THR CA C 13 57.682 0.090 . 1 . . . . 85 THR CA . 17596 2 829 . 1 1 85 85 THR CB C 13 70.222 0.049 . 1 . . . . 85 THR CB . 17596 2 830 . 1 1 85 85 THR CG2 C 13 19.012 0.039 . 1 . . . . 85 THR CG2 . 17596 2 831 . 1 1 85 85 THR N N 15 114.305 0.043 . 1 . . . . 85 THR N . 17596 2 832 . 1 1 86 86 GLU H H 1 9.235 0.007 . 1 . . . . 86 GLU HN . 17596 2 833 . 1 1 86 86 GLU HA H 1 4.111 0.014 . 1 . . . . 86 GLU HA . 17596 2 834 . 1 1 86 86 GLU HB2 H 1 2.148 0.009 . 2 . . . . 86 GLU HB2 . 17596 2 835 . 1 1 86 86 GLU HB3 H 1 2.080 0.009 . 2 . . . . 86 GLU HB3 . 17596 2 836 . 1 1 86 86 GLU HG2 H 1 2.387 0.008 . 2 . . . . 86 GLU HG2 . 17596 2 837 . 1 1 86 86 GLU HG3 H 1 2.349 0.009 . 2 . . . . 86 GLU HG3 . 17596 2 838 . 1 1 86 86 GLU C C 13 177.196 0.011 . 1 . . . . 86 GLU C . 17596 2 839 . 1 1 86 86 GLU CA C 13 56.577 0.053 . 1 . . . . 86 GLU CA . 17596 2 840 . 1 1 86 86 GLU CB C 13 26.720 0.040 . 1 . . . . 86 GLU CB . 17596 2 841 . 1 1 86 86 GLU CG C 13 33.949 0.216 . 1 . . . . 86 GLU CG . 17596 2 842 . 1 1 86 86 GLU N N 15 121.198 0.031 . 1 . . . . 86 GLU N . 17596 2 843 . 1 1 87 87 GLU H H 1 7.891 0.005 . 1 . . . . 87 GLU HN . 17596 2 844 . 1 1 87 87 GLU HA H 1 4.539 0.009 . 1 . . . . 87 GLU HA . 17596 2 845 . 1 1 87 87 GLU HB2 H 1 2.353 0.007 . 2 . . . . 87 GLU HB2 . 17596 2 846 . 1 1 87 87 GLU HB3 H 1 1.688 0.011 . 2 . . . . 87 GLU HB3 . 17596 2 847 . 1 1 87 87 GLU HG2 H 1 2.212 0.010 . 2 . . . . 87 GLU QG . 17596 2 848 . 1 1 87 87 GLU HG3 H 1 2.212 0.010 . 2 . . . . 87 GLU QG . 17596 2 849 . 1 1 87 87 GLU C C 13 174.786 0.029 . 1 . . . . 87 GLU C . 17596 2 850 . 1 1 87 87 GLU CA C 13 53.375 0.047 . 1 . . . . 87 GLU CA . 17596 2 851 . 1 1 87 87 GLU CB C 13 28.035 0.186 . 1 . . . . 87 GLU CB . 17596 2 852 . 1 1 87 87 GLU CG C 13 34.535 0.188 . 1 . . . . 87 GLU CG . 17596 2 853 . 1 1 87 87 GLU N N 15 116.046 0.053 . 1 . . . . 87 GLU N . 17596 2 854 . 1 1 88 88 GLY H H 1 7.388 0.003 . 1 . . . . 88 GLY HN . 17596 2 855 . 1 1 88 88 GLY HA2 H 1 5.034 0.013 . 2 . . . . 88 GLY HA1 . 17596 2 856 . 1 1 88 88 GLY HA3 H 1 3.958 0.008 . 2 . . . . 88 GLY HA2 . 17596 2 857 . 1 1 88 88 GLY C C 13 172.846 0.000 . 1 . . . . 88 GLY C . 17596 2 858 . 1 1 88 88 GLY CA C 13 41.764 0.135 . 1 . . . . 88 GLY CA . 17596 2 859 . 1 1 88 88 GLY N N 15 108.655 0.151 . 1 . . . . 88 GLY N . 17596 2 860 . 1 1 89 89 PRO HA H 1 5.215 0.012 . 1 . . . . 89 PRO HA . 17596 2 861 . 1 1 89 89 PRO HB2 H 1 1.822 0.003 . 2 . . . . 89 PRO HB2 . 17596 2 862 . 1 1 89 89 PRO HB3 H 1 1.583 0.006 . 2 . . . . 89 PRO HB3 . 17596 2 863 . 1 1 89 89 PRO HG2 H 1 1.762 0.003 . 2 . . . . 89 PRO QG . 17596 2 864 . 1 1 89 89 PRO HG3 H 1 1.762 0.003 . 2 . . . . 89 PRO QG . 17596 2 865 . 1 1 89 89 PRO HD2 H 1 3.648 0.005 . 2 . . . . 89 PRO HD2 . 17596 2 866 . 1 1 89 89 PRO HD3 H 1 3.569 0.001 . 2 . . . . 89 PRO HD3 . 17596 2 867 . 1 1 89 89 PRO C C 13 175.967 0.000 . 1 . . . . 89 PRO C . 17596 2 868 . 1 1 89 89 PRO CA C 13 60.143 0.099 . 1 . . . . 89 PRO CA . 17596 2 869 . 1 1 89 89 PRO CB C 13 29.640 0.132 . 1 . . . . 89 PRO CB . 17596 2 870 . 1 1 89 89 PRO CG C 13 25.085 0.047 . 1 . . . . 89 PRO CG . 17596 2 871 . 1 1 89 89 PRO CD C 13 50.591 0.000 . 1 . . . . 89 PRO CD . 17596 2 872 . 1 1 89 89 PRO N N 15 144.273 0.022 . 1 . . . . 89 PRO N . 17596 2 873 . 1 1 90 90 VAL H H 1 8.228 0.010 . 1 . . . . 90 VAL HN . 17596 2 874 . 1 1 90 90 VAL HA H 1 4.441 0.014 . 1 . . . . 90 VAL HA . 17596 2 875 . 1 1 90 90 VAL HB H 1 2.216 0.012 . 1 . . . . 90 VAL HB . 17596 2 876 . 1 1 90 90 VAL HG11 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 2 877 . 1 1 90 90 VAL HG12 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 2 878 . 1 1 90 90 VAL HG13 H 1 0.689 0.008 . 2 . . . . 90 VAL QG1 . 17596 2 879 . 1 1 90 90 VAL HG21 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 2 880 . 1 1 90 90 VAL HG22 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 2 881 . 1 1 90 90 VAL HG23 H 1 0.569 0.005 . 2 . . . . 90 VAL QG2 . 17596 2 882 . 1 1 90 90 VAL C C 13 176.249 0.033 . 1 . . . . 90 VAL C . 17596 2 883 . 1 1 90 90 VAL CA C 13 56.989 0.079 . 1 . . . . 90 VAL CA . 17596 2 884 . 1 1 90 90 VAL CB C 13 33.915 0.055 . 1 . . . . 90 VAL CB . 17596 2 885 . 1 1 90 90 VAL CG1 C 13 21.552 0.059 . 2 . . . . 90 VAL CG1 . 17596 2 886 . 1 1 90 90 VAL CG2 C 13 15.336 0.082 . 2 . . . . 90 VAL CG2 . 17596 2 887 . 1 1 90 90 VAL N N 15 111.498 0.141 . 1 . . . . 90 VAL N . 17596 2 888 . 1 1 91 91 CYS H H 1 9.690 0.007 . 1 . . . . 91 CYS HN . 17596 2 889 . 1 1 91 91 CYS HA H 1 4.947 0.011 . 1 . . . . 91 CYS HA . 17596 2 890 . 1 1 91 91 CYS HB2 H 1 3.166 0.007 . 2 . . . . 91 CYS HB2 . 17596 2 891 . 1 1 91 91 CYS HB3 H 1 2.471 0.006 . 2 . . . . 91 CYS HB3 . 17596 2 892 . 1 1 91 91 CYS C C 13 176.460 0.000 . 1 . . . . 91 CYS C . 17596 2 893 . 1 1 91 91 CYS CA C 13 51.048 0.063 . 1 . . . . 91 CYS CA . 17596 2 894 . 1 1 91 91 CYS CB C 13 30.289 0.049 . 1 . . . . 91 CYS CB . 17596 2 895 . 1 1 91 91 CYS N N 15 118.846 0.077 . 1 . . . . 91 CYS N . 17596 2 896 . 1 1 92 92 LYS H H 1 8.767 0.005 . 1 . . . . 92 LYS HN . 17596 2 897 . 1 1 92 92 LYS HA H 1 3.772 0.010 . 1 . . . . 92 LYS HA . 17596 2 898 . 1 1 92 92 LYS HB2 H 1 1.497 0.003 . 2 . . . . 92 LYS HB2 . 17596 2 899 . 1 1 92 92 LYS HB3 H 1 1.303 0.008 . 2 . . . . 92 LYS HB3 . 17596 2 900 . 1 1 92 92 LYS HG2 H 1 1.290 0.005 . 2 . . . . 92 LYS HG2 . 17596 2 901 . 1 1 92 92 LYS HG3 H 1 1.263 0.010 . 2 . . . . 92 LYS HG3 . 17596 2 902 . 1 1 92 92 LYS HD2 H 1 1.624 0.003 . 2 . . . . 92 LYS HD2 . 17596 2 903 . 1 1 92 92 LYS HD3 H 1 1.562 0.008 . 2 . . . . 92 LYS HD3 . 17596 2 904 . 1 1 92 92 LYS HE2 H 1 2.950 0.007 . 2 . . . . 92 LYS QE . 17596 2 905 . 1 1 92 92 LYS HE3 H 1 2.950 0.007 . 2 . . . . 92 LYS QE . 17596 2 906 . 1 1 92 92 LYS C C 13 175.550 0.041 . 1 . . . . 92 LYS C . 17596 2 907 . 1 1 92 92 LYS CA C 13 56.761 0.045 . 1 . . . . 92 LYS CA . 17596 2 908 . 1 1 92 92 LYS CB C 13 31.000 0.065 . 1 . . . . 92 LYS CB . 17596 2 909 . 1 1 92 92 LYS CG C 13 21.973 0.017 . 1 . . . . 92 LYS CG . 17596 2 910 . 1 1 92 92 LYS CD C 13 26.852 0.054 . 1 . . . . 92 LYS CD . 17596 2 911 . 1 1 92 92 LYS CE C 13 39.390 0.071 . 1 . . . . 92 LYS CE . 17596 2 912 . 1 1 92 92 LYS N N 15 125.780 0.034 . 1 . . . . 92 LYS N . 17596 2 913 . 1 1 93 93 ASN H H 1 9.191 0.006 . 1 . . . . 93 ASN HN . 17596 2 914 . 1 1 93 93 ASN HA H 1 5.077 0.012 . 1 . . . . 93 ASN HA . 17596 2 915 . 1 1 93 93 ASN HB2 H 1 3.187 0.007 . 2 . . . . 93 ASN HB2 . 17596 2 916 . 1 1 93 93 ASN HB3 H 1 2.982 0.014 . 2 . . . . 93 ASN HB3 . 17596 2 917 . 1 1 93 93 ASN HD21 H 1 7.604 0.007 . 2 . . . . 93 ASN HD21 . 17596 2 918 . 1 1 93 93 ASN HD22 H 1 7.159 0.005 . 2 . . . . 93 ASN HD22 . 17596 2 919 . 1 1 93 93 ASN C C 13 173.573 0.047 . 1 . . . . 93 ASN C . 17596 2 920 . 1 1 93 93 ASN CA C 13 51.336 0.075 . 1 . . . . 93 ASN CA . 17596 2 921 . 1 1 93 93 ASN CB C 13 38.289 0.037 . 1 . . . . 93 ASN CB . 17596 2 922 . 1 1 93 93 ASN N N 15 115.657 0.029 . 1 . . . . 93 ASN N . 17596 2 923 . 1 1 93 93 ASN ND2 N 15 114.513 0.025 . 1 . . . . 93 ASN ND2 . 17596 2 924 . 1 1 94 94 ILE H H 1 7.588 0.005 . 1 . . . . 94 ILE HN . 17596 2 925 . 1 1 94 94 ILE HA H 1 4.178 0.017 . 1 . . . . 94 ILE HA . 17596 2 926 . 1 1 94 94 ILE HB H 1 1.529 0.006 . 1 . . . . 94 ILE HB . 17596 2 927 . 1 1 94 94 ILE HG12 H 1 1.386 0.006 . 2 . . . . 94 ILE HG12 . 17596 2 928 . 1 1 94 94 ILE HG13 H 1 1.013 0.005 . 2 . . . . 94 ILE HG13 . 17596 2 929 . 1 1 94 94 ILE HG21 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 2 930 . 1 1 94 94 ILE HG22 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 2 931 . 1 1 94 94 ILE HG23 H 1 0.796 0.003 . 1 . . . . 94 ILE QG2 . 17596 2 932 . 1 1 94 94 ILE HD11 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 2 933 . 1 1 94 94 ILE HD12 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 2 934 . 1 1 94 94 ILE HD13 H 1 0.626 0.009 . 1 . . . . 94 ILE QD1 . 17596 2 935 . 1 1 94 94 ILE C C 13 174.384 0.036 . 1 . . . . 94 ILE C . 17596 2 936 . 1 1 94 94 ILE CA C 13 58.742 0.051 . 1 . . . . 94 ILE CA . 17596 2 937 . 1 1 94 94 ILE CB C 13 39.667 0.071 . 1 . . . . 94 ILE CB . 17596 2 938 . 1 1 94 94 ILE CG1 C 13 25.610 0.116 . 1 . . . . 94 ILE CG1 . 17596 2 939 . 1 1 94 94 ILE CG2 C 13 15.126 0.059 . 1 . . . . 94 ILE CG2 . 17596 2 940 . 1 1 94 94 ILE CD1 C 13 11.136 0.057 . 1 . . . . 94 ILE CD1 . 17596 2 941 . 1 1 94 94 ILE N N 15 121.711 0.075 . 1 . . . . 94 ILE N . 17596 2 942 . 1 1 95 95 VAL H H 1 8.405 0.004 . 1 . . . . 95 VAL HN . 17596 2 943 . 1 1 95 95 VAL HA H 1 4.848 0.009 . 1 . . . . 95 VAL HA . 17596 2 944 . 1 1 95 95 VAL HB H 1 1.907 0.006 . 1 . . . . 95 VAL HB . 17596 2 945 . 1 1 95 95 VAL HG11 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 2 946 . 1 1 95 95 VAL HG12 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 2 947 . 1 1 95 95 VAL HG13 H 1 0.906 0.005 . 2 . . . . 95 VAL QG1 . 17596 2 948 . 1 1 95 95 VAL HG21 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 2 949 . 1 1 95 95 VAL HG22 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 2 950 . 1 1 95 95 VAL HG23 H 1 0.935 0.003 . 2 . . . . 95 VAL QG2 . 17596 2 951 . 1 1 95 95 VAL C C 13 174.547 0.129 . 1 . . . . 95 VAL C . 17596 2 952 . 1 1 95 95 VAL CA C 13 58.824 0.023 . 1 . . . . 95 VAL CA . 17596 2 953 . 1 1 95 95 VAL CB C 13 29.892 0.064 . 1 . . . . 95 VAL CB . 17596 2 954 . 1 1 95 95 VAL CG1 C 13 19.441 0.064 . 2 . . . . 95 VAL CG1 . 17596 2 955 . 1 1 95 95 VAL CG2 C 13 19.085 0.030 . 2 . . . . 95 VAL CG2 . 17596 2 956 . 1 1 95 95 VAL N N 15 127.897 0.033 . 1 . . . . 95 VAL N . 17596 2 957 . 1 1 96 96 ALA H H 1 9.280 0.005 . 1 . . . . 96 ALA HN . 17596 2 958 . 1 1 96 96 ALA HA H 1 5.094 0.010 . 1 . . . . 96 ALA HA . 17596 2 959 . 1 1 96 96 ALA HB1 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 2 960 . 1 1 96 96 ALA HB2 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 2 961 . 1 1 96 96 ALA HB3 H 1 1.102 0.009 . 1 . . . . 96 ALA QB . 17596 2 962 . 1 1 96 96 ALA C C 13 174.019 0.033 . 1 . . . . 96 ALA C . 17596 2 963 . 1 1 96 96 ALA CA C 13 48.016 0.033 . 1 . . . . 96 ALA CA . 17596 2 964 . 1 1 96 96 ALA CB C 13 23.560 0.060 . 1 . . . . 96 ALA CB . 17596 2 965 . 1 1 96 96 ALA N N 15 129.960 0.019 . 1 . . . . 96 ALA N . 17596 2 966 . 1 1 97 97 CYS H H 1 9.050 0.007 . 1 . . . . 97 CYS HN . 17596 2 967 . 1 1 97 97 CYS HA H 1 5.190 0.007 . 1 . . . . 97 CYS HA . 17596 2 968 . 1 1 97 97 CYS HB2 H 1 3.024 0.010 . 2 . . . . 97 CYS HB2 . 17596 2 969 . 1 1 97 97 CYS HB3 H 1 2.680 0.009 . 2 . . . . 97 CYS HB3 . 17596 2 970 . 1 1 97 97 CYS C C 13 175.164 0.005 . 1 . . . . 97 CYS C . 17596 2 971 . 1 1 97 97 CYS CA C 13 51.552 0.070 . 1 . . . . 97 CYS CA . 17596 2 972 . 1 1 97 97 CYS CB C 13 39.288 0.122 . 1 . . . . 97 CYS CB . 17596 2 973 . 1 1 97 97 CYS N N 15 117.840 0.037 . 1 . . . . 97 CYS N . 17596 2 974 . 1 1 98 98 CYS H H 1 9.135 0.003 . 1 . . . . 98 CYS HN . 17596 2 975 . 1 1 98 98 CYS HA H 1 5.176 0.005 . 1 . . . . 98 CYS HA . 17596 2 976 . 1 1 98 98 CYS HB2 H 1 3.143 0.015 . 2 . . . . 98 CYS HB2 . 17596 2 977 . 1 1 98 98 CYS HB3 H 1 2.785 0.008 . 2 . . . . 98 CYS HB3 . 17596 2 978 . 1 1 98 98 CYS CA C 13 50.140 0.129 . 1 . . . . 98 CYS CA . 17596 2 979 . 1 1 98 98 CYS CB C 13 40.819 0.066 . 1 . . . . 98 CYS CB . 17596 2 980 . 1 1 98 98 CYS N N 15 127.652 0.140 . 1 . . . . 98 CYS N . 17596 2 981 . 1 1 99 99 PRO HA H 1 4.499 0.009 . 1 . . . . 99 PRO HA . 17596 2 982 . 1 1 99 99 PRO HB2 H 1 2.315 0.014 . 2 . . . . 99 PRO HB2 . 17596 2 983 . 1 1 99 99 PRO HB3 H 1 1.961 0.011 . 2 . . . . 99 PRO HB3 . 17596 2 984 . 1 1 99 99 PRO HG2 H 1 1.933 0.003 . 2 . . . . 99 PRO QG . 17596 2 985 . 1 1 99 99 PRO HG3 H 1 1.933 0.003 . 2 . . . . 99 PRO QG . 17596 2 986 . 1 1 99 99 PRO HD2 H 1 3.859 0.008 . 2 . . . . 99 PRO HD2 . 17596 2 987 . 1 1 99 99 PRO HD3 H 1 3.701 0.011 . 2 . . . . 99 PRO HD3 . 17596 2 988 . 1 1 99 99 PRO C C 13 176.460 0.000 . 1 . . . . 99 PRO C . 17596 2 989 . 1 1 99 99 PRO CA C 13 60.219 0.040 . 1 . . . . 99 PRO CA . 17596 2 990 . 1 1 99 99 PRO CB C 13 29.869 0.074 . 1 . . . . 99 PRO CB . 17596 2 991 . 1 1 99 99 PRO CG C 13 24.784 0.056 . 1 . . . . 99 PRO CG . 17596 2 992 . 1 1 99 99 PRO CD C 13 48.579 0.182 . 1 . . . . 99 PRO CD . 17596 2 993 . 1 1 99 99 PRO N N 15 138.025 0.078 . 1 . . . . 99 PRO N . 17596 2 994 . 1 1 100 100 GLU H H 1 8.565 0.005 . 1 . . . . 100 GLU HN . 17596 2 995 . 1 1 100 100 GLU HA H 1 4.162 0.015 . 1 . . . . 100 GLU HA . 17596 2 996 . 1 1 100 100 GLU HB2 H 1 1.975 0.012 . 2 . . . . 100 GLU QB . 17596 2 997 . 1 1 100 100 GLU HB3 H 1 1.975 0.012 . 2 . . . . 100 GLU QB . 17596 2 998 . 1 1 100 100 GLU HG2 H 1 2.299 0.009 . 2 . . . . 100 GLU QG . 17596 2 999 . 1 1 100 100 GLU HG3 H 1 2.299 0.009 . 2 . . . . 100 GLU QG . 17596 2 1000 . 1 1 100 100 GLU C C 13 177.853 0.029 . 1 . . . . 100 GLU C . 17596 2 1001 . 1 1 100 100 GLU CA C 13 55.068 0.162 . 1 . . . . 100 GLU CA . 17596 2 1002 . 1 1 100 100 GLU CB C 13 27.193 0.107 . 1 . . . . 100 GLU CB . 17596 2 1003 . 1 1 100 100 GLU CG C 13 33.802 0.187 . 1 . . . . 100 GLU CG . 17596 2 1004 . 1 1 100 100 GLU N N 15 121.611 0.065 . 1 . . . . 100 GLU N . 17596 2 1005 . 1 1 101 101 GLY H H 1 8.782 0.005 . 1 . . . . 101 GLY HN . 17596 2 1006 . 1 1 101 101 GLY HA2 H 1 4.176 0.013 . 2 . . . . 101 GLY HA1 . 17596 2 1007 . 1 1 101 101 GLY HA3 H 1 3.843 0.011 . 2 . . . . 101 GLY HA2 . 17596 2 1008 . 1 1 101 101 GLY C C 13 174.246 0.022 . 1 . . . . 101 GLY C . 17596 2 1009 . 1 1 101 101 GLY CA C 13 43.048 0.024 . 1 . . . . 101 GLY CA . 17596 2 1010 . 1 1 101 101 GLY N N 15 111.184 0.063 . 1 . . . . 101 GLY N . 17596 2 1011 . 1 1 102 102 THR H H 1 7.692 0.005 . 1 . . . . 102 THR HN . 17596 2 1012 . 1 1 102 102 THR HA H 1 4.675 0.007 . 1 . . . . 102 THR HA . 17596 2 1013 . 1 1 102 102 THR HB H 1 4.313 0.015 . 1 . . . . 102 THR HB . 17596 2 1014 . 1 1 102 102 THR HG21 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 2 1015 . 1 1 102 102 THR HG22 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 2 1016 . 1 1 102 102 THR HG23 H 1 1.157 0.004 . 1 . . . . 102 THR QG2 . 17596 2 1017 . 1 1 102 102 THR C C 13 174.365 0.007 . 1 . . . . 102 THR C . 17596 2 1018 . 1 1 102 102 THR CA C 13 58.113 0.051 . 1 . . . . 102 THR CA . 17596 2 1019 . 1 1 102 102 THR CB C 13 67.817 0.101 . 1 . . . . 102 THR CB . 17596 2 1020 . 1 1 102 102 THR CG2 C 13 18.707 0.057 . 1 . . . . 102 THR CG2 . 17596 2 1021 . 1 1 102 102 THR N N 15 111.702 0.031 . 1 . . . . 102 THR N . 17596 2 1022 . 1 1 103 103 THR H H 1 8.108 0.004 . 1 . . . . 103 THR HN . 17596 2 1023 . 1 1 103 103 THR HA H 1 4.341 0.012 . 1 . . . . 103 THR HA . 17596 2 1024 . 1 1 103 103 THR HB H 1 4.199 0.009 . 1 . . . . 103 THR HB . 17596 2 1025 . 1 1 103 103 THR HG21 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 2 1026 . 1 1 103 103 THR HG22 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 2 1027 . 1 1 103 103 THR HG23 H 1 1.188 0.004 . 1 . . . . 103 THR QG2 . 17596 2 1028 . 1 1 103 103 THR C C 13 173.877 0.021 . 1 . . . . 103 THR C . 17596 2 1029 . 1 1 103 103 THR CA C 13 60.022 0.051 . 1 . . . . 103 THR CA . 17596 2 1030 . 1 1 103 103 THR CB C 13 66.732 0.068 . 1 . . . . 103 THR CB . 17596 2 1031 . 1 1 103 103 THR CG2 C 13 19.242 0.000 . 1 . . . . 103 THR CG2 . 17596 2 1032 . 1 1 103 103 THR N N 15 114.111 0.039 . 1 . . . . 103 THR N . 17596 2 1033 . 1 1 104 104 ASN H H 1 7.942 0.005 . 1 . . . . 104 ASN HN . 17596 2 1034 . 1 1 104 104 ASN HA H 1 4.884 0.010 . 1 . . . . 104 ASN HA . 17596 2 1035 . 1 1 104 104 ASN HB2 H 1 2.599 0.008 . 2 . . . . 104 ASN QB . 17596 2 1036 . 1 1 104 104 ASN HB3 H 1 2.599 0.008 . 2 . . . . 104 ASN QB . 17596 2 1037 . 1 1 104 104 ASN HD21 H 1 7.420 0.005 . 2 . . . . 104 ASN HD21 . 17596 2 1038 . 1 1 104 104 ASN HD22 H 1 6.883 0.005 . 2 . . . . 104 ASN HD22 . 17596 2 1039 . 1 1 104 104 ASN C C 13 174.888 0.033 . 1 . . . . 104 ASN C . 17596 2 1040 . 1 1 104 104 ASN CA C 13 50.047 0.062 . 1 . . . . 104 ASN CA . 17596 2 1041 . 1 1 104 104 ASN CB C 13 37.948 0.055 . 1 . . . . 104 ASN CB . 17596 2 1042 . 1 1 104 104 ASN N N 15 118.368 0.037 . 1 . . . . 104 ASN N . 17596 2 1043 . 1 1 104 104 ASN ND2 N 15 112.319 0.096 . 1 . . . . 104 ASN ND2 . 17596 2 1044 . 1 1 105 105 CYS H H 1 8.622 0.002 . 1 . . . . 105 CYS HN . 17596 2 1045 . 1 1 105 105 CYS HA H 1 5.069 0.010 . 1 . . . . 105 CYS HA . 17596 2 1046 . 1 1 105 105 CYS HB2 H 1 3.357 0.006 . 2 . . . . 105 CYS HB2 . 17596 2 1047 . 1 1 105 105 CYS HB3 H 1 2.512 0.006 . 2 . . . . 105 CYS HB3 . 17596 2 1048 . 1 1 105 105 CYS C C 13 172.283 0.033 . 1 . . . . 105 CYS C . 17596 2 1049 . 1 1 105 105 CYS CA C 13 54.258 0.063 . 1 . . . . 105 CYS CA . 17596 2 1050 . 1 1 105 105 CYS CB C 13 46.501 0.046 . 1 . . . . 105 CYS CB . 17596 2 1051 . 1 1 105 105 CYS N N 15 119.096 0.027 . 1 . . . . 105 CYS N . 17596 2 1052 . 1 1 106 106 VAL H H 1 8.713 0.007 . 1 . . . . 106 VAL HN . 17596 2 1053 . 1 1 106 106 VAL HA H 1 4.548 0.008 . 1 . . . . 106 VAL HA . 17596 2 1054 . 1 1 106 106 VAL HB H 1 2.016 0.007 . 1 . . . . 106 VAL HB . 17596 2 1055 . 1 1 106 106 VAL HG11 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 2 1056 . 1 1 106 106 VAL HG12 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 2 1057 . 1 1 106 106 VAL HG13 H 1 0.958 0.004 . 2 . . . . 106 VAL QG1 . 17596 2 1058 . 1 1 106 106 VAL HG21 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 2 1059 . 1 1 106 106 VAL HG22 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 2 1060 . 1 1 106 106 VAL HG23 H 1 0.901 0.001 . 2 . . . . 106 VAL QG2 . 17596 2 1061 . 1 1 106 106 VAL C C 13 175.114 0.011 . 1 . . . . 106 VAL C . 17596 2 1062 . 1 1 106 106 VAL CA C 13 58.243 0.064 . 1 . . . . 106 VAL CA . 17596 2 1063 . 1 1 106 106 VAL CB C 13 32.522 0.055 . 1 . . . . 106 VAL CB . 17596 2 1064 . 1 1 106 106 VAL CG1 C 13 18.717 0.119 . 2 . . . . 106 VAL CG1 . 17596 2 1065 . 1 1 106 106 VAL CG2 C 13 17.783 0.098 . 2 . . . . 106 VAL CG2 . 17596 2 1066 . 1 1 106 106 VAL N N 15 118.666 0.041 . 1 . . . . 106 VAL N . 17596 2 1067 . 1 1 107 107 ALA H H 1 8.887 0.002 . 1 . . . . 107 ALA HN . 17596 2 1068 . 1 1 107 107 ALA HA H 1 4.267 0.014 . 1 . . . . 107 ALA HA . 17596 2 1069 . 1 1 107 107 ALA HB1 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 2 1070 . 1 1 107 107 ALA HB2 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 2 1071 . 1 1 107 107 ALA HB3 H 1 1.415 0.010 . 1 . . . . 107 ALA QB . 17596 2 1072 . 1 1 107 107 ALA C C 13 177.829 0.022 . 1 . . . . 107 ALA C . 17596 2 1073 . 1 1 107 107 ALA CA C 13 50.461 0.010 . 1 . . . . 107 ALA CA . 17596 2 1074 . 1 1 107 107 ALA CB C 13 16.765 0.026 . 1 . . . . 107 ALA CB . 17596 2 1075 . 1 1 107 107 ALA N N 15 129.905 0.022 . 1 . . . . 107 ALA N . 17596 2 1076 . 1 1 108 108 VAL H H 1 8.490 0.008 . 1 . . . . 108 VAL HN . 17596 2 1077 . 1 1 108 108 VAL HA H 1 4.158 0.031 . 1 . . . . 108 VAL HA . 17596 2 1078 . 1 1 108 108 VAL HB H 1 2.095 0.018 . 1 . . . . 108 VAL HB . 17596 2 1079 . 1 1 108 108 VAL HG11 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 2 1080 . 1 1 108 108 VAL HG12 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 2 1081 . 1 1 108 108 VAL HG13 H 1 0.905 0.002 . 2 . . . . 108 VAL QG1 . 17596 2 1082 . 1 1 108 108 VAL HG21 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 2 1083 . 1 1 108 108 VAL HG22 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 2 1084 . 1 1 108 108 VAL HG23 H 1 0.852 0.003 . 2 . . . . 108 VAL QG2 . 17596 2 1085 . 1 1 108 108 VAL C C 13 175.721 0.035 . 1 . . . . 108 VAL C . 17596 2 1086 . 1 1 108 108 VAL CA C 13 59.756 0.049 . 1 . . . . 108 VAL CA . 17596 2 1087 . 1 1 108 108 VAL CB C 13 30.083 0.222 . 1 . . . . 108 VAL CB . 17596 2 1088 . 1 1 108 108 VAL CG1 C 13 19.272 0.048 . 2 . . . . 108 VAL CG1 . 17596 2 1089 . 1 1 108 108 VAL CG2 C 13 17.642 0.079 . 2 . . . . 108 VAL CG2 . 17596 2 1090 . 1 1 108 108 VAL N N 15 118.702 0.056 . 1 . . . . 108 VAL N . 17596 2 1091 . 1 1 109 109 ASP H H 1 8.400 0.005 . 1 . . . . 109 ASP HN . 17596 2 1092 . 1 1 109 109 ASP HA H 1 4.669 0.018 . 1 . . . . 109 ASP HA . 17596 2 1093 . 1 1 109 109 ASP HB2 H 1 2.684 0.014 . 2 . . . . 109 ASP HB2 . 17596 2 1094 . 1 1 109 109 ASP HB3 H 1 2.628 0.004 . 2 . . . . 109 ASP HB3 . 17596 2 1095 . 1 1 109 109 ASP C C 13 175.686 0.000 . 1 . . . . 109 ASP C . 17596 2 1096 . 1 1 109 109 ASP CA C 13 51.421 0.078 . 1 . . . . 109 ASP CA . 17596 2 1097 . 1 1 109 109 ASP CB C 13 38.934 0.140 . 1 . . . . 109 ASP CB . 17596 2 1098 . 1 1 109 109 ASP N N 15 122.907 0.147 . 1 . . . . 109 ASP N . 17596 2 1099 . 1 1 110 110 ASN H H 1 8.447 0.002 . 1 . . . . 110 ASN HN . 17596 2 1100 . 1 1 110 110 ASN HA H 1 4.695 0.015 . 1 . . . . 110 ASN HA . 17596 2 1101 . 1 1 110 110 ASN HB2 H 1 2.860 0.007 . 2 . . . . 110 ASN HB2 . 17596 2 1102 . 1 1 110 110 ASN HB3 H 1 2.774 0.007 . 2 . . . . 110 ASN HB3 . 17596 2 1103 . 1 1 110 110 ASN HD21 H 1 7.601 0.006 . 2 . . . . 110 ASN HD21 . 17596 2 1104 . 1 1 110 110 ASN HD22 H 1 6.867 0.005 . 2 . . . . 110 ASN HD22 . 17596 2 1105 . 1 1 110 110 ASN C C 13 175.265 0.045 . 1 . . . . 110 ASN C . 17596 2 1106 . 1 1 110 110 ASN CA C 13 50.653 0.065 . 1 . . . . 110 ASN CA . 17596 2 1107 . 1 1 110 110 ASN CB C 13 36.375 0.071 . 1 . . . . 110 ASN CB . 17596 2 1108 . 1 1 110 110 ASN N N 15 120.059 0.026 . 1 . . . . 110 ASN N . 17596 2 1109 . 1 1 110 110 ASN ND2 N 15 112.477 0.116 . 1 . . . . 110 ASN ND2 . 17596 2 1110 . 1 1 111 111 ALA H H 1 8.360 0.004 . 1 . . . . 111 ALA HN . 17596 2 1111 . 1 1 111 111 ALA HA H 1 4.297 0.012 . 1 . . . . 111 ALA HA . 17596 2 1112 . 1 1 111 111 ALA HB1 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 2 1113 . 1 1 111 111 ALA HB2 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 2 1114 . 1 1 111 111 ALA HB3 H 1 1.417 0.003 . 1 . . . . 111 ALA QB . 17596 2 1115 . 1 1 111 111 ALA C C 13 178.468 0.025 . 1 . . . . 111 ALA C . 17596 2 1116 . 1 1 111 111 ALA CA C 13 50.714 0.049 . 1 . . . . 111 ALA CA . 17596 2 1117 . 1 1 111 111 ALA CB C 13 16.564 0.018 . 1 . . . . 111 ALA CB . 17596 2 1118 . 1 1 111 111 ALA N N 15 124.606 0.052 . 1 . . . . 111 ALA N . 17596 2 1119 . 1 1 112 112 GLY H H 1 8.391 0.002 . 1 . . . . 112 GLY HN . 17596 2 1120 . 1 1 112 112 GLY HA2 H 1 3.946 0.008 . 2 . . . . 112 GLY QA . 17596 2 1121 . 1 1 112 112 GLY HA3 H 1 3.946 0.008 . 2 . . . . 112 GLY QA . 17596 2 1122 . 1 1 112 112 GLY C C 13 174.321 0.021 . 1 . . . . 112 GLY C . 17596 2 1123 . 1 1 112 112 GLY CA C 13 43.021 0.039 . 1 . . . . 112 GLY CA . 17596 2 1124 . 1 1 112 112 GLY N N 15 108.057 0.074 . 1 . . . . 112 GLY N . 17596 2 1125 . 1 1 113 113 ALA H H 1 8.126 0.003 . 1 . . . . 113 ALA HN . 17596 2 1126 . 1 1 113 113 ALA HA H 1 4.329 0.009 . 1 . . . . 113 ALA HA . 17596 2 1127 . 1 1 113 113 ALA HB1 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 2 1128 . 1 1 113 113 ALA HB2 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 2 1129 . 1 1 113 113 ALA HB3 H 1 1.416 0.007 . 1 . . . . 113 ALA QB . 17596 2 1130 . 1 1 113 113 ALA C C 13 178.404 0.032 . 1 . . . . 113 ALA C . 17596 2 1131 . 1 1 113 113 ALA CA C 13 50.384 0.052 . 1 . . . . 113 ALA CA . 17596 2 1132 . 1 1 113 113 ALA CB C 13 16.859 0.040 . 1 . . . . 113 ALA CB . 17596 2 1133 . 1 1 113 113 ALA N N 15 123.908 0.025 . 1 . . . . 113 ALA N . 17596 2 1134 . 1 1 114 114 GLY H H 1 8.421 0.003 . 1 . . . . 114 GLY HN . 17596 2 1135 . 1 1 114 114 GLY HA2 H 1 3.996 0.009 . 2 . . . . 114 GLY QA . 17596 2 1136 . 1 1 114 114 GLY HA3 H 1 3.996 0.009 . 2 . . . . 114 GLY QA . 17596 2 1137 . 1 1 114 114 GLY C C 13 174.440 0.002 . 1 . . . . 114 GLY C . 17596 2 1138 . 1 1 114 114 GLY CA C 13 42.913 0.027 . 1 . . . . 114 GLY CA . 17596 2 1139 . 1 1 114 114 GLY N N 15 108.093 0.090 . 1 . . . . 114 GLY N . 17596 2 1140 . 1 1 115 115 THR H H 1 8.026 0.004 . 1 . . . . 115 THR HN . 17596 2 1141 . 1 1 115 115 THR HA H 1 4.322 0.006 . 1 . . . . 115 THR HA . 17596 2 1142 . 1 1 115 115 THR HB H 1 4.196 0.008 . 1 . . . . 115 THR HB . 17596 2 1143 . 1 1 115 115 THR HG21 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 2 1144 . 1 1 115 115 THR HG22 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 2 1145 . 1 1 115 115 THR HG23 H 1 1.176 0.006 . 1 . . . . 115 THR QG2 . 17596 2 1146 . 1 1 115 115 THR C C 13 174.402 0.044 . 1 . . . . 115 THR C . 17596 2 1147 . 1 1 115 115 THR CA C 13 59.526 0.087 . 1 . . . . 115 THR CA . 17596 2 1148 . 1 1 115 115 THR CB C 13 67.518 0.034 . 1 . . . . 115 THR CB . 17596 2 1149 . 1 1 115 115 THR CG2 C 13 19.103 0.024 . 1 . . . . 115 THR CG2 . 17596 2 1150 . 1 1 115 115 THR N N 15 114.234 0.019 . 1 . . . . 115 THR N . 17596 2 1151 . 1 1 116 116 LYS H H 1 8.362 0.009 . 1 . . . . 116 LYS HN . 17596 2 1152 . 1 1 116 116 LYS HA H 1 4.350 0.006 . 1 . . . . 116 LYS HA . 17596 2 1153 . 1 1 116 116 LYS HB2 H 1 1.833 0.009 . 2 . . . . 116 LYS HB2 . 17596 2 1154 . 1 1 116 116 LYS HB3 H 1 1.749 0.004 . 2 . . . . 116 LYS HB3 . 17596 2 1155 . 1 1 116 116 LYS HG2 H 1 1.415 0.004 . 2 . . . . 116 LYS QG . 17596 2 1156 . 1 1 116 116 LYS HG3 H 1 1.415 0.004 . 2 . . . . 116 LYS QG . 17596 2 1157 . 1 1 116 116 LYS HD2 H 1 1.664 0.003 . 2 . . . . 116 LYS QD . 17596 2 1158 . 1 1 116 116 LYS HD3 H 1 1.664 0.003 . 2 . . . . 116 LYS QD . 17596 2 1159 . 1 1 116 116 LYS HE2 H 1 2.974 0.002 . 2 . . . . 116 LYS QE . 17596 2 1160 . 1 1 116 116 LYS HE3 H 1 2.974 0.002 . 2 . . . . 116 LYS QE . 17596 2 1161 . 1 1 116 116 LYS C C 13 175.912 0.040 . 1 . . . . 116 LYS C . 17596 2 1162 . 1 1 116 116 LYS CA C 13 53.583 0.076 . 1 . . . . 116 LYS CA . 17596 2 1163 . 1 1 116 116 LYS CB C 13 30.789 0.105 . 1 . . . . 116 LYS CB . 17596 2 1164 . 1 1 116 116 LYS CG C 13 22.222 0.093 . 1 . . . . 116 LYS CG . 17596 2 1165 . 1 1 116 116 LYS CD C 13 26.587 0.045 . 1 . . . . 116 LYS CD . 17596 2 1166 . 1 1 116 116 LYS CE C 13 39.560 0.055 . 1 . . . . 116 LYS CE . 17596 2 1167 . 1 1 116 116 LYS N N 15 124.603 0.042 . 1 . . . . 116 LYS N . 17596 2 1168 . 1 1 117 117 ALA H H 1 8.404 0.011 . 1 . . . . 117 ALA HN . 17596 2 1169 . 1 1 117 117 ALA HA H 1 4.346 0.010 . 1 . . . . 117 ALA HA . 17596 2 1170 . 1 1 117 117 ALA HB1 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 2 1171 . 1 1 117 117 ALA HB2 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 2 1172 . 1 1 117 117 ALA HB3 H 1 1.383 0.005 . 1 . . . . 117 ALA QB . 17596 2 1173 . 1 1 117 117 ALA C C 13 176.703 0.029 . 1 . . . . 117 ALA C . 17596 2 1174 . 1 1 117 117 ALA CA C 13 50.036 0.032 . 1 . . . . 117 ALA CA . 17596 2 1175 . 1 1 117 117 ALA CB C 13 16.812 0.022 . 1 . . . . 117 ALA CB . 17596 2 1176 . 1 1 117 117 ALA N N 15 127.153 0.085 . 1 . . . . 117 ALA N . 17596 2 1177 . 1 1 118 118 GLU H H 1 7.947 0.005 . 1 . . . . 118 GLU HN . 17596 2 1178 . 1 1 118 118 GLU HA H 1 4.113 0.022 . 1 . . . . 118 GLU HA . 17596 2 1179 . 1 1 118 118 GLU HB2 H 1 2.040 0.019 . 2 . . . . 118 GLU HB2 . 17596 2 1180 . 1 1 118 118 GLU HB3 H 1 1.868 0.009 . 2 . . . . 118 GLU HB3 . 17596 2 1181 . 1 1 118 118 GLU HG2 H 1 2.185 0.039 . 2 . . . . 118 GLU QG . 17596 2 1182 . 1 1 118 118 GLU HG3 H 1 2.185 0.039 . 2 . . . . 118 GLU QG . 17596 2 1183 . 1 1 118 118 GLU C C 13 180.826 0.000 . 1 . . . . 118 GLU C . 17596 2 1184 . 1 1 118 118 GLU CA C 13 55.314 0.077 . 1 . . . . 118 GLU CA . 17596 2 1185 . 1 1 118 118 GLU CB C 13 28.668 0.198 . 1 . . . . 118 GLU CB . 17596 2 1186 . 1 1 118 118 GLU CG C 13 34.071 0.112 . 1 . . . . 118 GLU CG . 17596 2 1187 . 1 1 118 118 GLU N N 15 125.310 0.213 . 1 . . . . 118 GLU N . 17596 2 stop_ save_