data_15540 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15540 _Entry.Title ; 1H, 15N, 13C Assignments of the C-terminal chromatin binding domain of the 43kDa subunit of chloroplast signal recognition particle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-30 _Entry.Accession_date 2007-10-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 Koteshwara Ananthamurthy . . . 15540 2 Karuppanan Kathir . M. . 15540 3 Alicia Kight . . . 15540 4 Robyn Goforth . . . 15540 5 Ralph Henry . . . 15540 6 Thallapuranam 'Suresh Kumar' . K. . 15540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 15540 '15N chemical shifts' 109 15540 '1H chemical shifts' 712 15540 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 3 . . 2009-08-13 2007-10-30 update BMRB 'added PubMed ID' 15540 2 . . 2008-06-05 2007-10-30 update BMRB 'complete entry citation' 15540 1 . . 2008-01-17 2007-10-30 original author 'original release' 15540 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15540 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636919 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of the C-terminal domain of the 43 kDa subunit of the chloroplast signal recognition particle' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _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 37 _Citation.Page_last 39 _Citation.Year 2008 _Citation.Details 'Two PubMed ID's found for this citation: 19112521 and 19636919.' 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 Koteshwara Ananthamurthy . . . 15540 1 2 'Karuppanan Muthusamy' Kathir . . . 15540 1 3 Alicia Kight . . . 15540 1 4 Robyn Goforth . L. . 15540 1 5 Ralph Henry . . . 15540 1 6 'Thallapuranam Krishnaswamy' 'Suresh Kumar' . . . 15540 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15540 _Assembly.ID 1 _Assembly.Name 'C-terminal chromo domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal chromo domain' 1 $C-Terminal_chromo_domain A . yes native no no . . . 15540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-Terminal_chromo_domain _Entity.Sf_category entity _Entity.Sf_framecode C-Terminal_chromo_domain _Entity.Entry_ID 15540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-Terminal_chromo_domain _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 ; GSQVFEYAEVDEIVEKRGKG KDVEYLVRWKDGGDCEWVKG VHVAEDVAKDYEDGLEYAVA ESVIGKRVGDDGKTIEYLVK WTDMSDATWEPQDNVDSTLV LLYQQQQPMNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 2015-11-26 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 1X3Q . "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43" . . . . . 50.45 57 100.00 100.00 7.51e-29 . . . . 15540 1 2 no PDB 2HUG . "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43 Complexed With Cpsrp54 Peptide" . . . . . 50.45 57 100.00 100.00 7.51e-29 . . . . 15540 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 -1 GLY . 15540 1 2 0 SER . 15540 1 3 1 GLN . 15540 1 4 2 VAL . 15540 1 5 3 PHE . 15540 1 6 4 GLU . 15540 1 7 5 TYR . 15540 1 8 6 ALA . 15540 1 9 7 GLU . 15540 1 10 8 VAL . 15540 1 11 9 ASP . 15540 1 12 10 GLU . 15540 1 13 11 ILE . 15540 1 14 12 VAL . 15540 1 15 13 GLU . 15540 1 16 14 LYS . 15540 1 17 15 ARG . 15540 1 18 16 GLY . 15540 1 19 17 LYS . 15540 1 20 18 GLY . 15540 1 21 19 LYS . 15540 1 22 20 ASP . 15540 1 23 21 VAL . 15540 1 24 22 GLU . 15540 1 25 23 TYR . 15540 1 26 24 LEU . 15540 1 27 25 VAL . 15540 1 28 26 ARG . 15540 1 29 27 TRP . 15540 1 30 28 LYS . 15540 1 31 29 ASP . 15540 1 32 30 GLY . 15540 1 33 31 GLY . 15540 1 34 32 ASP . 15540 1 35 33 CYS . 15540 1 36 34 GLU . 15540 1 37 35 TRP . 15540 1 38 36 VAL . 15540 1 39 37 LYS . 15540 1 40 38 GLY . 15540 1 41 39 VAL . 15540 1 42 40 HIS . 15540 1 43 41 VAL . 15540 1 44 42 ALA . 15540 1 45 43 GLU . 15540 1 46 44 ASP . 15540 1 47 45 VAL . 15540 1 48 46 ALA . 15540 1 49 47 LYS . 15540 1 50 48 ASP . 15540 1 51 49 TYR . 15540 1 52 50 GLU . 15540 1 53 51 ASP . 15540 1 54 52 GLY . 15540 1 55 53 LEU . 15540 1 56 54 GLU . 15540 1 57 55 TYR . 15540 1 58 56 ALA . 15540 1 59 57 VAL . 15540 1 60 58 ALA . 15540 1 61 59 GLU . 15540 1 62 60 SER . 15540 1 63 61 VAL . 15540 1 64 62 ILE . 15540 1 65 63 GLY . 15540 1 66 64 LYS . 15540 1 67 65 ARG . 15540 1 68 66 VAL . 15540 1 69 67 GLY . 15540 1 70 68 ASP . 15540 1 71 69 ASP . 15540 1 72 70 GLY . 15540 1 73 71 LYS . 15540 1 74 72 THR . 15540 1 75 73 ILE . 15540 1 76 74 GLU . 15540 1 77 75 TYR . 15540 1 78 76 LEU . 15540 1 79 77 VAL . 15540 1 80 78 LYS . 15540 1 81 79 TRP . 15540 1 82 80 THR . 15540 1 83 81 ASP . 15540 1 84 82 MET . 15540 1 85 83 SER . 15540 1 86 84 ASP . 15540 1 87 85 ALA . 15540 1 88 86 THR . 15540 1 89 87 TRP . 15540 1 90 88 GLU . 15540 1 91 89 PRO . 15540 1 92 90 GLN . 15540 1 93 91 ASP . 15540 1 94 92 ASN . 15540 1 95 93 VAL . 15540 1 96 94 ASP . 15540 1 97 95 SER . 15540 1 98 96 THR . 15540 1 99 97 LEU . 15540 1 100 98 VAL . 15540 1 101 99 LEU . 15540 1 102 100 LEU . 15540 1 103 101 TYR . 15540 1 104 102 GLN . 15540 1 105 103 GLN . 15540 1 106 104 GLN . 15540 1 107 105 GLN . 15540 1 108 106 PRO . 15540 1 109 107 MET . 15540 1 110 108 ASN . 15540 1 111 109 GLU . 15540 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15540 1 . SER 2 2 15540 1 . GLN 3 3 15540 1 . VAL 4 4 15540 1 . PHE 5 5 15540 1 . GLU 6 6 15540 1 . TYR 7 7 15540 1 . ALA 8 8 15540 1 . GLU 9 9 15540 1 . VAL 10 10 15540 1 . ASP 11 11 15540 1 . GLU 12 12 15540 1 . ILE 13 13 15540 1 . VAL 14 14 15540 1 . GLU 15 15 15540 1 . LYS 16 16 15540 1 . ARG 17 17 15540 1 . GLY 18 18 15540 1 . LYS 19 19 15540 1 . GLY 20 20 15540 1 . LYS 21 21 15540 1 . ASP 22 22 15540 1 . VAL 23 23 15540 1 . GLU 24 24 15540 1 . TYR 25 25 15540 1 . LEU 26 26 15540 1 . VAL 27 27 15540 1 . ARG 28 28 15540 1 . TRP 29 29 15540 1 . LYS 30 30 15540 1 . ASP 31 31 15540 1 . GLY 32 32 15540 1 . GLY 33 33 15540 1 . ASP 34 34 15540 1 . CYS 35 35 15540 1 . GLU 36 36 15540 1 . TRP 37 37 15540 1 . VAL 38 38 15540 1 . LYS 39 39 15540 1 . GLY 40 40 15540 1 . VAL 41 41 15540 1 . HIS 42 42 15540 1 . VAL 43 43 15540 1 . ALA 44 44 15540 1 . GLU 45 45 15540 1 . ASP 46 46 15540 1 . VAL 47 47 15540 1 . ALA 48 48 15540 1 . LYS 49 49 15540 1 . ASP 50 50 15540 1 . TYR 51 51 15540 1 . GLU 52 52 15540 1 . ASP 53 53 15540 1 . GLY 54 54 15540 1 . LEU 55 55 15540 1 . GLU 56 56 15540 1 . TYR 57 57 15540 1 . ALA 58 58 15540 1 . VAL 59 59 15540 1 . ALA 60 60 15540 1 . GLU 61 61 15540 1 . SER 62 62 15540 1 . VAL 63 63 15540 1 . ILE 64 64 15540 1 . GLY 65 65 15540 1 . LYS 66 66 15540 1 . ARG 67 67 15540 1 . VAL 68 68 15540 1 . GLY 69 69 15540 1 . ASP 70 70 15540 1 . ASP 71 71 15540 1 . GLY 72 72 15540 1 . LYS 73 73 15540 1 . THR 74 74 15540 1 . ILE 75 75 15540 1 . GLU 76 76 15540 1 . TYR 77 77 15540 1 . LEU 78 78 15540 1 . VAL 79 79 15540 1 . LYS 80 80 15540 1 . TRP 81 81 15540 1 . THR 82 82 15540 1 . ASP 83 83 15540 1 . MET 84 84 15540 1 . SER 85 85 15540 1 . ASP 86 86 15540 1 . ALA 87 87 15540 1 . THR 88 88 15540 1 . TRP 89 89 15540 1 . GLU 90 90 15540 1 . PRO 91 91 15540 1 . GLN 92 92 15540 1 . ASP 93 93 15540 1 . ASN 94 94 15540 1 . VAL 95 95 15540 1 . ASP 96 96 15540 1 . SER 97 97 15540 1 . THR 98 98 15540 1 . LEU 99 99 15540 1 . VAL 100 100 15540 1 . LEU 101 101 15540 1 . LEU 102 102 15540 1 . TYR 103 103 15540 1 . GLN 104 104 15540 1 . GLN 105 105 15540 1 . GLN 106 106 15540 1 . GLN 107 107 15540 1 . PRO 108 108 15540 1 . MET 109 109 15540 1 . ASN 110 110 15540 1 . GLU 111 111 15540 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 15540 _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 $C-Terminal_chromo_domain . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 15540 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 15540 _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 $C-Terminal_chromo_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T . . . . . . 15540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15540 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-Terminal chromo domain' '[U-98% 13C; U-98% 15N]' . . 1 $C-Terminal_chromo_domain . . 0.7 . . mM 0.05 . . . 15540 1 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 15540 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15540 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-Terminal chromo domain' '[U-99% 15N]' . . 1 $C-Terminal_chromo_domain . . 0.7 . . mM 0.05 . . . 15540 2 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 15540 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15540 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-Terminal chromo domain' [U-13C] . . 1 $C-Terminal_chromo_domain . . 0.7 . . mM 0.05 . . . 15540 3 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 15540 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15540 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-Terminal chromo domain' 'natural abundance' . . 1 $C-Terminal_chromo_domain . . 1 . . mM 0.05 . . . 15540 4 2 'sodium chloride' . . . . . . . 150 . . mM . . . . 15540 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 15540 _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' 150 1 mM 15540 1 pH 7.5 0.1 pH 15540 1 pressure 1 . atm 15540 1 temperature 298 0.1 K 15540 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15540 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15540 1 Goddard . . 15540 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15540 1 'data analysis' 15540 1 processing 15540 1 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 15540 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15540 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15540 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 15540 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15540 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 15540 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 15540 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00 . . . . . . . . . 15540 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 15540 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 15540 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15540 1 2 '3D HNCA' . . . 15540 1 3 '3D HN(CO)CA' . . . 15540 1 4 '3D HNCACB' . . . 15540 1 5 '3D CBCA(CO)NH' . . . 15540 1 6 '3D HNCO' . . . 15540 1 7 '3D HBHA(CO)NH' . . . 15540 1 8 '3D 1H-15N NOESY' . . . 15540 1 9 '3D 1H-15N TOCSY' . . . 15540 1 10 '3D 1H-13C NOESY' . . . 15540 1 11 '3D HCCH-TOCSY' . . . 15540 1 12 '3D H(CCO)NH' . . . 15540 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 3 3 GLN H H 1 7.888 0.01 . 1 . . . . 1 GLN H . 15540 1 2 . 1 1 3 3 GLN HA H 1 3.824 0.01 . 1 . . . . 1 GLN HA . 15540 1 3 . 1 1 3 3 GLN HB2 H 1 1.789 0.01 . 2 . . . . 1 GLN HB2 . 15540 1 4 . 1 1 3 3 GLN HB3 H 1 1.789 0.01 . 2 . . . . 1 GLN HB3 . 15540 1 5 . 1 1 3 3 GLN HG2 H 1 2.079 0.01 . 2 . . . . 1 GLN HG2 . 15540 1 6 . 1 1 3 3 GLN HG3 H 1 2.079 0.01 . 2 . . . . 1 GLN HG3 . 15540 1 7 . 1 1 3 3 GLN C C 13 172.6 0.05 . 1 . . . . 1 GLN C . 15540 1 8 . 1 1 3 3 GLN CA C 13 53.31 0.05 . 1 . . . . 1 GLN CA . 15540 1 9 . 1 1 3 3 GLN CB C 13 26.89 0.05 . 1 . . . . 1 GLN CB . 15540 1 10 . 1 1 3 3 GLN CG C 13 31.04 0.05 . 1 . . . . 1 GLN CG . 15540 1 11 . 1 1 3 3 GLN N N 15 129 0.1 . 1 . . . . 1 GLN N . 15540 1 12 . 1 1 4 4 VAL H H 1 7.948 0.01 . 1 . . . . 2 VAL H . 15540 1 13 . 1 1 4 4 VAL HA H 1 4.005 0.01 . 1 . . . . 2 VAL HA . 15540 1 14 . 1 1 4 4 VAL HB H 1 1.787 0.01 . 1 . . . . 2 VAL HB . 15540 1 15 . 1 1 4 4 VAL HG11 H 1 0.712 0.01 . 2 . . . . 2 VAL HG1 . 15540 1 16 . 1 1 4 4 VAL HG12 H 1 0.712 0.01 . 2 . . . . 2 VAL HG1 . 15540 1 17 . 1 1 4 4 VAL HG13 H 1 0.712 0.01 . 2 . . . . 2 VAL HG1 . 15540 1 18 . 1 1 4 4 VAL HG21 H 1 0.708 0.01 . 2 . . . . 2 VAL HG2 . 15540 1 19 . 1 1 4 4 VAL HG22 H 1 0.708 0.01 . 2 . . . . 2 VAL HG2 . 15540 1 20 . 1 1 4 4 VAL HG23 H 1 0.708 0.01 . 2 . . . . 2 VAL HG2 . 15540 1 21 . 1 1 4 4 VAL C C 13 172.9 0.05 . 1 . . . . 2 VAL C . 15540 1 22 . 1 1 4 4 VAL CA C 13 58.94 0.05 . 1 . . . . 2 VAL CA . 15540 1 23 . 1 1 4 4 VAL CB C 13 30.49 0.05 . 1 . . . . 2 VAL CB . 15540 1 24 . 1 1 4 4 VAL CG1 C 13 17.97 0.05 . 2 . . . . 2 VAL CG1 . 15540 1 25 . 1 1 4 4 VAL CG2 C 13 17.97 0.05 . 2 . . . . 2 VAL CG2 . 15540 1 26 . 1 1 4 4 VAL N N 15 120.6 0.1 . 1 . . . . 2 VAL N . 15540 1 27 . 1 1 5 5 PHE H H 1 8.383 0.01 . 1 . . . . 3 PHE H . 15540 1 28 . 1 1 5 5 PHE HA H 1 4.404 0.01 . 1 . . . . 3 PHE HA . 15540 1 29 . 1 1 5 5 PHE HB2 H 1 2.873 0.01 . 2 . . . . 3 PHE HB2 . 15540 1 30 . 1 1 5 5 PHE HB3 H 1 2.873 0.01 . 2 . . . . 3 PHE HB3 . 15540 1 31 . 1 1 5 5 PHE C C 13 172.1 0.05 . 1 . . . . 3 PHE C . 15540 1 32 . 1 1 5 5 PHE CA C 13 55.2 0.05 . 1 . . . . 3 PHE CA . 15540 1 33 . 1 1 5 5 PHE CB C 13 37.21 0.05 . 1 . . . . 3 PHE CB . 15540 1 34 . 1 1 5 5 PHE N N 15 123.9 0.1 . 1 . . . . 3 PHE N . 15540 1 35 . 1 1 6 6 GLU H H 1 8.168 0.01 . 1 . . . . 4 GLU H . 15540 1 36 . 1 1 6 6 GLU HA H 1 4.143 0.01 . 1 . . . . 4 GLU HA . 15540 1 37 . 1 1 6 6 GLU HB2 H 1 1.857 0.01 . 2 . . . . 4 GLU HB2 . 15540 1 38 . 1 1 6 6 GLU HB3 H 1 1.857 0.01 . 2 . . . . 4 GLU HB3 . 15540 1 39 . 1 1 6 6 GLU HG2 H 1 2.091 0.01 . 2 . . . . 4 GLU HG2 . 15540 1 40 . 1 1 6 6 GLU HG3 H 1 2.091 0.01 . 2 . . . . 4 GLU HG3 . 15540 1 41 . 1 1 6 6 GLU C C 13 173.2 0.05 . 1 . . . . 4 GLU C . 15540 1 42 . 1 1 6 6 GLU CA C 13 53.68 0.05 . 1 . . . . 4 GLU CA . 15540 1 43 . 1 1 6 6 GLU CB C 13 27.73 0.05 . 1 . . . . 4 GLU CB . 15540 1 44 . 1 1 6 6 GLU CG C 13 33.61 0.05 . 1 . . . . 4 GLU CG . 15540 1 45 . 1 1 6 6 GLU N N 15 122.5 0.1 . 1 . . . . 4 GLU N . 15540 1 46 . 1 1 7 7 TYR H H 1 8.185 0.01 . 1 . . . . 5 TYR H . 15540 1 47 . 1 1 7 7 TYR HA H 1 4.43 0.01 . 1 . . . . 5 TYR HA . 15540 1 48 . 1 1 7 7 TYR HB2 H 1 2.563 0.01 . 2 . . . . 5 TYR HB2 . 15540 1 49 . 1 1 7 7 TYR HB3 H 1 2.445 0.01 . 2 . . . . 5 TYR HB3 . 15540 1 50 . 1 1 7 7 TYR HD1 H 1 7.102 0.01 . 1 . . . . 5 TYR HD1 . 15540 1 51 . 1 1 7 7 TYR HD2 H 1 7.102 0.01 . 1 . . . . 5 TYR HD2 . 15540 1 52 . 1 1 7 7 TYR HE1 H 1 6.861 0.01 . 1 . . . . 5 TYR HE1 . 15540 1 53 . 1 1 7 7 TYR HE2 H 1 6.861 0.01 . 1 . . . . 5 TYR HE2 . 15540 1 54 . 1 1 7 7 TYR C C 13 173 0.05 . 1 . . . . 5 TYR C . 15540 1 55 . 1 1 7 7 TYR CA C 13 59.31 0.05 . 1 . . . . 5 TYR CA . 15540 1 56 . 1 1 7 7 TYR CB C 13 38.57 0.05 . 1 . . . . 5 TYR CB . 15540 1 57 . 1 1 7 7 TYR N N 15 120.9 0.1 . 1 . . . . 5 TYR N . 15540 1 58 . 1 1 8 8 ALA H H 1 7.904 0.01 . 1 . . . . 6 ALA H . 15540 1 59 . 1 1 8 8 ALA HA H 1 4.178 0.01 . 1 . . . . 6 ALA HA . 15540 1 60 . 1 1 8 8 ALA HB1 H 1 1.197 0.01 . 1 . . . . 6 ALA HB . 15540 1 61 . 1 1 8 8 ALA HB2 H 1 1.197 0.01 . 1 . . . . 6 ALA HB . 15540 1 62 . 1 1 8 8 ALA HB3 H 1 1.197 0.01 . 1 . . . . 6 ALA HB . 15540 1 63 . 1 1 8 8 ALA C C 13 174.7 0.05 . 1 . . . . 6 ALA C . 15540 1 64 . 1 1 8 8 ALA CA C 13 50.51 0.05 . 1 . . . . 6 ALA CA . 15540 1 65 . 1 1 8 8 ALA CB C 13 16.5 0.05 . 1 . . . . 6 ALA CB . 15540 1 66 . 1 1 8 8 ALA N N 15 122 0.1 . 1 . . . . 6 ALA N . 15540 1 67 . 1 1 9 9 GLU H H 1 8.083 0.01 . 1 . . . . 7 GLU H . 15540 1 68 . 1 1 9 9 GLU HA H 1 4.476 0.01 . 1 . . . . 7 GLU HA . 15540 1 69 . 1 1 9 9 GLU HB2 H 1 2.165 0.01 . 2 . . . . 7 GLU HB2 . 15540 1 70 . 1 1 9 9 GLU HB3 H 1 2.165 0.01 . 2 . . . . 7 GLU HB3 . 15540 1 71 . 1 1 9 9 GLU HG2 H 1 2.259 0.01 . 2 . . . . 7 GLU HG2 . 15540 1 72 . 1 1 9 9 GLU HG3 H 1 2.259 0.01 . 2 . . . . 7 GLU HG3 . 15540 1 73 . 1 1 9 9 GLU C C 13 174.2 0.05 . 1 . . . . 7 GLU C . 15540 1 74 . 1 1 9 9 GLU CA C 13 54.37 0.05 . 1 . . . . 7 GLU CA . 15540 1 75 . 1 1 9 9 GLU CB C 13 28.64 0.05 . 1 . . . . 7 GLU CB . 15540 1 76 . 1 1 9 9 GLU CG C 13 34.13 0.05 . 1 . . . . 7 GLU CG . 15540 1 77 . 1 1 9 9 GLU N N 15 116 0.1 . 1 . . . . 7 GLU N . 15540 1 78 . 1 1 10 10 VAL H H 1 8.526 0.01 . 1 . . . . 8 VAL H . 15540 1 79 . 1 1 10 10 VAL HA H 1 3.751 0.01 . 1 . . . . 8 VAL HA . 15540 1 80 . 1 1 10 10 VAL HB H 1 1.849 0.01 . 1 . . . . 8 VAL HB . 15540 1 81 . 1 1 10 10 VAL HG11 H 1 0.776 0.01 . 2 . . . . 8 VAL HG1 . 15540 1 82 . 1 1 10 10 VAL HG12 H 1 0.776 0.01 . 2 . . . . 8 VAL HG1 . 15540 1 83 . 1 1 10 10 VAL HG13 H 1 0.776 0.01 . 2 . . . . 8 VAL HG1 . 15540 1 84 . 1 1 10 10 VAL HG21 H 1 0.776 0.01 . 2 . . . . 8 VAL HG2 . 15540 1 85 . 1 1 10 10 VAL HG22 H 1 0.776 0.01 . 2 . . . . 8 VAL HG2 . 15540 1 86 . 1 1 10 10 VAL HG23 H 1 0.776 0.01 . 2 . . . . 8 VAL HG2 . 15540 1 87 . 1 1 10 10 VAL C C 13 171.9 0.05 . 1 . . . . 8 VAL C . 15540 1 88 . 1 1 10 10 VAL CA C 13 60.48 0.05 . 1 . . . . 8 VAL CA . 15540 1 89 . 1 1 10 10 VAL CB C 13 30.94 0.05 . 1 . . . . 8 VAL CB . 15540 1 90 . 1 1 10 10 VAL CG1 C 13 19.6 0.05 . 2 . . . . 8 VAL CG1 . 15540 1 91 . 1 1 10 10 VAL CG2 C 13 19.6 0.05 . 2 . . . . 8 VAL CG2 . 15540 1 92 . 1 1 10 10 VAL N N 15 124.3 0.1 . 1 . . . . 8 VAL N . 15540 1 93 . 1 1 11 11 ASP H H 1 8.987 0.01 . 1 . . . . 9 ASP H . 15540 1 94 . 1 1 11 11 ASP HA H 1 4.575 0.01 . 1 . . . . 9 ASP HA . 15540 1 95 . 1 1 11 11 ASP HB2 H 1 2.337 0.01 . 2 . . . . 9 ASP HB2 . 15540 1 96 . 1 1 11 11 ASP HB3 H 1 2.084 0.01 . 2 . . . . 9 ASP HB3 . 15540 1 97 . 1 1 11 11 ASP C C 13 172.7 0.05 . 1 . . . . 9 ASP C . 15540 1 98 . 1 1 11 11 ASP CA C 13 52.89 0.05 . 1 . . . . 9 ASP CA . 15540 1 99 . 1 1 11 11 ASP CB C 13 40.03 0.05 . 1 . . . . 9 ASP CB . 15540 1 100 . 1 1 11 11 ASP N N 15 126.1 0.1 . 1 . . . . 9 ASP N . 15540 1 101 . 1 1 12 12 GLU H H 1 7.157 0.01 . 1 . . . . 10 GLU H . 15540 1 102 . 1 1 12 12 GLU HA H 1 4.372 0.01 . 1 . . . . 10 GLU HA . 15540 1 103 . 1 1 12 12 GLU HB2 H 1 1.748 0.01 . 2 . . . . 10 GLU HB2 . 15540 1 104 . 1 1 12 12 GLU HB3 H 1 1.748 0.01 . 2 . . . . 10 GLU HB3 . 15540 1 105 . 1 1 12 12 GLU HG2 H 1 1.855 0.01 . 2 . . . . 10 GLU HG2 . 15540 1 106 . 1 1 12 12 GLU HG3 H 1 1.855 0.01 . 2 . . . . 10 GLU HG3 . 15540 1 107 . 1 1 12 12 GLU C C 13 170.9 0.05 . 1 . . . . 10 GLU C . 15540 1 108 . 1 1 12 12 GLU CA C 13 51.91 0.05 . 1 . . . . 10 GLU CA . 15540 1 109 . 1 1 12 12 GLU CB C 13 29.91 0.05 . 1 . . . . 10 GLU CB . 15540 1 110 . 1 1 12 12 GLU CG C 13 32.84 0.05 . 1 . . . . 10 GLU CG . 15540 1 111 . 1 1 12 12 GLU N N 15 112.4 0.1 . 1 . . . . 10 GLU N . 15540 1 112 . 1 1 13 13 ILE H H 1 8.42 0.01 . 1 . . . . 11 ILE H . 15540 1 113 . 1 1 13 13 ILE HA H 1 3.888 0.01 . 1 . . . . 11 ILE HA . 15540 1 114 . 1 1 13 13 ILE HB H 1 1.816 0.01 . 1 . . . . 11 ILE HB . 15540 1 115 . 1 1 13 13 ILE HD11 H 1 0.107 0.01 . 1 . . . . 11 ILE HD1 . 15540 1 116 . 1 1 13 13 ILE HD12 H 1 0.107 0.01 . 1 . . . . 11 ILE HD1 . 15540 1 117 . 1 1 13 13 ILE HD13 H 1 0.107 0.01 . 1 . . . . 11 ILE HD1 . 15540 1 118 . 1 1 13 13 ILE HG12 H 1 1.048 0.01 . 2 . . . . 11 ILE HG12 . 15540 1 119 . 1 1 13 13 ILE HG13 H 1 1.048 0.01 . 2 . . . . 11 ILE HG13 . 15540 1 120 . 1 1 13 13 ILE HG21 H 1 0.328 0.01 . 1 . . . . 11 ILE HG2 . 15540 1 121 . 1 1 13 13 ILE HG22 H 1 0.328 0.01 . 1 . . . . 11 ILE HG2 . 15540 1 122 . 1 1 13 13 ILE HG23 H 1 0.328 0.01 . 1 . . . . 11 ILE HG2 . 15540 1 123 . 1 1 13 13 ILE C C 13 172.3 0.05 . 1 . . . . 11 ILE C . 15540 1 124 . 1 1 13 13 ILE CA C 13 58.29 0.05 . 1 . . . . 11 ILE CA . 15540 1 125 . 1 1 13 13 ILE CB C 13 35.37 0.05 . 1 . . . . 11 ILE CB . 15540 1 126 . 1 1 13 13 ILE N N 15 122.6 0.1 . 1 . . . . 11 ILE N . 15540 1 127 . 1 1 14 14 VAL H H 1 8.845 0.01 . 1 . . . . 12 VAL H . 15540 1 128 . 1 1 14 14 VAL HA H 1 3.816 0.01 . 1 . . . . 12 VAL HA . 15540 1 129 . 1 1 14 14 VAL HB H 1 1.576 0.01 . 1 . . . . 12 VAL HB . 15540 1 130 . 1 1 14 14 VAL HG11 H 1 0.685 0.01 . 2 . . . . 12 VAL HG1 . 15540 1 131 . 1 1 14 14 VAL HG12 H 1 0.685 0.01 . 2 . . . . 12 VAL HG1 . 15540 1 132 . 1 1 14 14 VAL HG13 H 1 0.685 0.01 . 2 . . . . 12 VAL HG1 . 15540 1 133 . 1 1 14 14 VAL HG21 H 1 0.525 0.01 . 2 . . . . 12 VAL HG2 . 15540 1 134 . 1 1 14 14 VAL HG22 H 1 0.525 0.01 . 2 . . . . 12 VAL HG2 . 15540 1 135 . 1 1 14 14 VAL HG23 H 1 0.525 0.01 . 2 . . . . 12 VAL HG2 . 15540 1 136 . 1 1 14 14 VAL C C 13 173.2 0.05 . 1 . . . . 12 VAL C . 15540 1 137 . 1 1 14 14 VAL CA C 13 60.57 0.05 . 1 . . . . 12 VAL CA . 15540 1 138 . 1 1 14 14 VAL CB C 13 30.72 0.05 . 1 . . . . 12 VAL CB . 15540 1 139 . 1 1 14 14 VAL CG1 C 13 18.82 0.05 . 2 . . . . 12 VAL CG1 . 15540 1 140 . 1 1 14 14 VAL CG2 C 13 18.82 0.05 . 2 . . . . 12 VAL CG2 . 15540 1 141 . 1 1 14 14 VAL N N 15 124.3 0.1 . 1 . . . . 12 VAL N . 15540 1 142 . 1 1 15 15 GLU H H 1 7.162 0.01 . 1 . . . . 13 GLU H . 15540 1 143 . 1 1 15 15 GLU HA H 1 4.498 0.01 . 1 . . . . 13 GLU HA . 15540 1 144 . 1 1 15 15 GLU HB2 H 1 1.874 0.01 . 2 . . . . 13 GLU HB2 . 15540 1 145 . 1 1 15 15 GLU HB3 H 1 1.874 0.01 . 2 . . . . 13 GLU HB3 . 15540 1 146 . 1 1 15 15 GLU HG2 H 1 2.312 0.01 . 2 . . . . 13 GLU HG2 . 15540 1 147 . 1 1 15 15 GLU HG3 H 1 2.312 0.01 . 2 . . . . 13 GLU HG3 . 15540 1 148 . 1 1 15 15 GLU C C 13 170.1 0.05 . 1 . . . . 13 GLU C . 15540 1 149 . 1 1 15 15 GLU CA C 13 52.85 0.05 . 1 . . . . 13 GLU CA . 15540 1 150 . 1 1 15 15 GLU CB C 13 31.78 0.05 . 1 . . . . 13 GLU CB . 15540 1 151 . 1 1 15 15 GLU CG C 13 34.48 0.05 . 1 . . . . 13 GLU CG . 15540 1 152 . 1 1 15 15 GLU N N 15 117.5 0.1 . 1 . . . . 13 GLU N . 15540 1 153 . 1 1 16 16 LYS H H 1 8.618 0.01 . 1 . . . . 14 LYS H . 15540 1 154 . 1 1 16 16 LYS HA H 1 5.6 0.01 . 1 . . . . 14 LYS HA . 15540 1 155 . 1 1 16 16 LYS HB2 H 1 1.783 0.01 . 2 . . . . 14 LYS HB2 . 15540 1 156 . 1 1 16 16 LYS HB3 H 1 1.783 0.01 . 2 . . . . 14 LYS HB3 . 15540 1 157 . 1 1 16 16 LYS HD2 H 1 1.401 0.01 . 2 . . . . 14 LYS HD2 . 15540 1 158 . 1 1 16 16 LYS HD3 H 1 1.401 0.01 . 2 . . . . 14 LYS HD3 . 15540 1 159 . 1 1 16 16 LYS HG2 H 1 1.2 0.01 . 2 . . . . 14 LYS HG2 . 15540 1 160 . 1 1 16 16 LYS HG3 H 1 1.2 0.01 . 2 . . . . 14 LYS HG3 . 15540 1 161 . 1 1 16 16 LYS C C 13 172 0.05 . 1 . . . . 14 LYS C . 15540 1 162 . 1 1 16 16 LYS CA C 13 52.43 0.05 . 1 . . . . 14 LYS CA . 15540 1 163 . 1 1 16 16 LYS CB C 13 34.87 0.05 . 1 . . . . 14 LYS CB . 15540 1 164 . 1 1 16 16 LYS CD C 13 27.95 0.05 . 1 . . . . 14 LYS CD . 15540 1 165 . 1 1 16 16 LYS CE C 13 46.5 0.05 . 1 . . . . 14 LYS CE . 15540 1 166 . 1 1 16 16 LYS CG C 13 21.54 0.05 . 1 . . . . 14 LYS CG . 15540 1 167 . 1 1 16 16 LYS N N 15 120.7 0.1 . 1 . . . . 14 LYS N . 15540 1 168 . 1 1 17 17 ARG H H 1 9.113 0.01 . 1 . . . . 15 ARG H . 15540 1 169 . 1 1 17 17 ARG HA H 1 4.719 0.01 . 1 . . . . 15 ARG HA . 15540 1 170 . 1 1 17 17 ARG HB2 H 1 1.597 0.01 . 2 . . . . 15 ARG HB2 . 15540 1 171 . 1 1 17 17 ARG HB3 H 1 1.443 0.01 . 2 . . . . 15 ARG HB3 . 15540 1 172 . 1 1 17 17 ARG HD2 H 1 2.14 0.01 . 2 . . . . 15 ARG HD2 . 15540 1 173 . 1 1 17 17 ARG HD3 H 1 2.14 0.01 . 2 . . . . 15 ARG HD3 . 15540 1 174 . 1 1 17 17 ARG HG2 H 1 1.108 0.01 . 2 . . . . 15 ARG HG2 . 15540 1 175 . 1 1 17 17 ARG HG3 H 1 1.108 0.01 . 2 . . . . 15 ARG HG3 . 15540 1 176 . 1 1 17 17 ARG C C 13 171 0.05 . 1 . . . . 15 ARG C . 15540 1 177 . 1 1 17 17 ARG CA C 13 52.37 0.05 . 1 . . . . 15 ARG CA . 15540 1 178 . 1 1 17 17 ARG CB C 13 30.35 0.05 . 1 . . . . 15 ARG CB . 15540 1 179 . 1 1 17 17 ARG CD C 13 40.44 0.05 . 1 . . . . 15 ARG CD . 15540 1 180 . 1 1 17 17 ARG CG C 13 22.42 0.05 . 1 . . . . 15 ARG CG . 15540 1 181 . 1 1 17 17 ARG N N 15 121.6 0.1 . 1 . . . . 15 ARG N . 15540 1 182 . 1 1 18 18 GLY H H 1 8.226 0.01 . 1 . . . . 16 GLY H . 15540 1 183 . 1 1 18 18 GLY HA2 H 1 4.146 0.01 . 2 . . . . 16 GLY HA2 . 15540 1 184 . 1 1 18 18 GLY HA3 H 1 3.575 0.01 . 2 . . . . 16 GLY HA3 . 15540 1 185 . 1 1 18 18 GLY C C 13 169.9 0.05 . 1 . . . . 16 GLY C . 15540 1 186 . 1 1 18 18 GLY CA C 13 41.48 0.05 . 1 . . . . 16 GLY CA . 15540 1 187 . 1 1 18 18 GLY N N 15 106.5 0.1 . 1 . . . . 16 GLY N . 15540 1 188 . 1 1 19 19 LYS H H 1 7.737 0.01 . 1 . . . . 17 LYS H . 15540 1 189 . 1 1 19 19 LYS HA H 1 4.475 0.01 . 1 . . . . 17 LYS HA . 15540 1 190 . 1 1 19 19 LYS HB2 H 1 1.535 0.01 . 2 . . . . 17 LYS HB2 . 15540 1 191 . 1 1 19 19 LYS HB3 H 1 1.535 0.01 . 2 . . . . 17 LYS HB3 . 15540 1 192 . 1 1 19 19 LYS HD2 H 1 1.703 0.01 . 2 . . . . 17 LYS HD2 . 15540 1 193 . 1 1 19 19 LYS HD3 H 1 1.703 0.01 . 2 . . . . 17 LYS HD3 . 15540 1 194 . 1 1 19 19 LYS HE2 H 1 2.857 0.01 . 2 . . . . 17 LYS HE2 . 15540 1 195 . 1 1 19 19 LYS HE3 H 1 2.857 0.01 . 2 . . . . 17 LYS HE3 . 15540 1 196 . 1 1 19 19 LYS HG2 H 1 1.212 0.01 . 2 . . . . 17 LYS HG2 . 15540 1 197 . 1 1 19 19 LYS HG3 H 1 1.212 0.01 . 2 . . . . 17 LYS HG3 . 15540 1 198 . 1 1 19 19 LYS C C 13 173.8 0.05 . 1 . . . . 17 LYS C . 15540 1 199 . 1 1 19 19 LYS CA C 13 52.13 0.05 . 1 . . . . 17 LYS CA . 15540 1 200 . 1 1 19 19 LYS CB C 13 33.32 0.05 . 1 . . . . 17 LYS CB . 15540 1 201 . 1 1 19 19 LYS CD C 13 26.56 0.05 . 1 . . . . 17 LYS CD . 15540 1 202 . 1 1 19 19 LYS CE C 13 39.96 0.05 . 1 . . . . 17 LYS CE . 15540 1 203 . 1 1 19 19 LYS CG C 13 21.64 0.05 . 1 . . . . 17 LYS CG . 15540 1 204 . 1 1 19 19 LYS N N 15 115.2 0.1 . 1 . . . . 17 LYS N . 15540 1 205 . 1 1 20 20 GLY H H 1 8.719 0.01 . 1 . . . . 18 GLY H . 15540 1 206 . 1 1 20 20 GLY HA2 H 1 4.132 0.01 . 2 . . . . 18 GLY HA2 . 15540 1 207 . 1 1 20 20 GLY HA3 H 1 3.822 0.01 . 2 . . . . 18 GLY HA3 . 15540 1 208 . 1 1 20 20 GLY C C 13 173.8 0.05 . 1 . . . . 18 GLY C . 15540 1 209 . 1 1 20 20 GLY CA C 13 43.78 0.05 . 1 . . . . 18 GLY CA . 15540 1 210 . 1 1 20 20 GLY N N 15 111 0.1 . 1 . . . . 18 GLY N . 15540 1 211 . 1 1 21 21 LYS H H 1 7.896 0.01 . 1 . . . . 19 LYS H . 15540 1 212 . 1 1 21 21 LYS HA H 1 4.12 0.01 . 1 . . . . 19 LYS HA . 15540 1 213 . 1 1 21 21 LYS HB2 H 1 1.766 0.01 . 2 . . . . 19 LYS HB2 . 15540 1 214 . 1 1 21 21 LYS HB3 H 1 1.571 0.01 . 2 . . . . 19 LYS HB3 . 15540 1 215 . 1 1 21 21 LYS HD2 H 1 2.036 0.01 . 2 . . . . 19 LYS HD2 . 15540 1 216 . 1 1 21 21 LYS HD3 H 1 2.036 0.01 . 2 . . . . 19 LYS HD3 . 15540 1 217 . 1 1 21 21 LYS HE2 H 1 2.906 0.01 . 2 . . . . 19 LYS HE2 . 15540 1 218 . 1 1 21 21 LYS HE3 H 1 2.906 0.01 . 2 . . . . 19 LYS HE3 . 15540 1 219 . 1 1 21 21 LYS HG2 H 1 1.352 0.01 . 2 . . . . 19 LYS HG2 . 15540 1 220 . 1 1 21 21 LYS HG3 H 1 1.352 0.01 . 2 . . . . 19 LYS HG3 . 15540 1 221 . 1 1 21 21 LYS C C 13 174 0.05 . 1 . . . . 19 LYS C . 15540 1 222 . 1 1 21 21 LYS CA C 13 54.75 0.05 . 1 . . . . 19 LYS CA . 15540 1 223 . 1 1 21 21 LYS CB C 13 38.29 0.05 . 1 . . . . 19 LYS CB . 15540 1 224 . 1 1 21 21 LYS CD C 13 29.14 0.05 . 1 . . . . 19 LYS CD . 15540 1 225 . 1 1 21 21 LYS CE C 13 39.56 0.05 . 1 . . . . 19 LYS CE . 15540 1 226 . 1 1 21 21 LYS CG C 13 26.26 0.05 . 1 . . . . 19 LYS CG . 15540 1 227 . 1 1 21 21 LYS N N 15 121.0 0.1 . 1 . . . . 19 LYS N . 15540 1 228 . 1 1 22 22 ASP H H 1 7.857 0.01 . 1 . . . . 20 ASP H . 15540 1 229 . 1 1 22 22 ASP HA H 1 4.763 0.01 . 1 . . . . 20 ASP HA . 15540 1 230 . 1 1 22 22 ASP HB2 H 1 2.841 0.01 . 2 . . . . 20 ASP HB2 . 15540 1 231 . 1 1 22 22 ASP HB3 H 1 2.577 0.01 . 2 . . . . 20 ASP HB3 . 15540 1 232 . 1 1 22 22 ASP C C 13 172.4 0.05 . 1 . . . . 20 ASP C . 15540 1 233 . 1 1 22 22 ASP CA C 13 51.30 0.05 . 1 . . . . 20 ASP CA . 15540 1 234 . 1 1 22 22 ASP CB C 13 38.79 0.05 . 1 . . . . 20 ASP CB . 15540 1 235 . 1 1 22 22 ASP N N 15 118.8 0.1 . 1 . . . . 20 ASP N . 15540 1 236 . 1 1 23 23 VAL H H 1 6.821 0.01 . 1 . . . . 21 VAL H . 15540 1 237 . 1 1 23 23 VAL HA H 1 4.059 0.01 . 1 . . . . 21 VAL HA . 15540 1 238 . 1 1 23 23 VAL HB H 1 1.633 0.01 . 1 . . . . 21 VAL HB . 15540 1 239 . 1 1 23 23 VAL HG11 H 1 0.636 0.01 . 2 . . . . 21 VAL HG1 . 15540 1 240 . 1 1 23 23 VAL HG12 H 1 0.636 0.01 . 2 . . . . 21 VAL HG1 . 15540 1 241 . 1 1 23 23 VAL HG13 H 1 0.636 0.01 . 2 . . . . 21 VAL HG1 . 15540 1 242 . 1 1 23 23 VAL HG21 H 1 0.510 0.01 . 2 . . . . 21 VAL HG2 . 15540 1 243 . 1 1 23 23 VAL HG22 H 1 0.510 0.01 . 2 . . . . 21 VAL HG2 . 15540 1 244 . 1 1 23 23 VAL HG23 H 1 0.510 0.01 . 2 . . . . 21 VAL HG2 . 15540 1 245 . 1 1 23 23 VAL C C 13 172.2 0.05 . 1 . . . . 21 VAL C . 15540 1 246 . 1 1 23 23 VAL CA C 13 60.06 0.05 . 1 . . . . 21 VAL CA . 15540 1 247 . 1 1 23 23 VAL CB C 13 29.85 0.05 . 1 . . . . 21 VAL CB . 15540 1 248 . 1 1 23 23 VAL CG1 C 13 17.77 0.05 . 2 . . . . 21 VAL CG1 . 15540 1 249 . 1 1 23 23 VAL CG2 C 13 17.77 0.05 . 2 . . . . 21 VAL CG2 . 15540 1 250 . 1 1 23 23 VAL N N 15 120.5 0.1 . 1 . . . . 21 VAL N . 15540 1 251 . 1 1 24 24 GLU H H 1 8.897 0.01 . 1 . . . . 22 GLU H . 15540 1 252 . 1 1 24 24 GLU HA H 1 4.807 0.01 . 1 . . . . 22 GLU HA . 15540 1 253 . 1 1 24 24 GLU HB2 H 1 1.959 0.01 . 2 . . . . 22 GLU HB2 . 15540 1 254 . 1 1 24 24 GLU HB3 H 1 1.959 0.01 . 2 . . . . 22 GLU HB3 . 15540 1 255 . 1 1 24 24 GLU HG2 H 1 2.101 0.01 . 2 . . . . 22 GLU HG2 . 15540 1 256 . 1 1 24 24 GLU HG3 H 1 2.101 0.01 . 2 . . . . 22 GLU HG3 . 15540 1 257 . 1 1 24 24 GLU C C 13 171.1 0.05 . 1 . . . . 22 GLU C . 15540 1 258 . 1 1 24 24 GLU CA C 13 51.84 0.05 . 1 . . . . 22 GLU CA . 15540 1 259 . 1 1 24 24 GLU CB C 13 33.07 0.05 . 1 . . . . 22 GLU CB . 15540 1 260 . 1 1 24 24 GLU CG C 13 34.81 0.05 . 1 . . . . 22 GLU CG . 15540 1 261 . 1 1 24 24 GLU N N 15 126 0.1 . 1 . . . . 22 GLU N . 15540 1 262 . 1 1 25 25 TYR H H 1 9.119 0.01 . 1 . . . . 23 TYR H . 15540 1 263 . 1 1 25 25 TYR HA H 1 5.231 0.01 . 1 . . . . 23 TYR HA . 15540 1 264 . 1 1 25 25 TYR HB2 H 1 2.631 0.01 . 2 . . . . 23 TYR HB2 . 15540 1 265 . 1 1 25 25 TYR HB3 H 1 2.224 0.01 . 2 . . . . 23 TYR HB3 . 15540 1 266 . 1 1 25 25 TYR HD1 H 1 6.741 0.01 . 1 . . . . 23 TYR HD1 . 15540 1 267 . 1 1 25 25 TYR HD2 H 1 6.741 0.01 . 1 . . . . 23 TYR HD2 . 15540 1 268 . 1 1 25 25 TYR HE1 H 1 6.697 0.01 . 1 . . . . 23 TYR HE1 . 15540 1 269 . 1 1 25 25 TYR HE2 H 1 6.697 0.01 . 1 . . . . 23 TYR HE2 . 15540 1 270 . 1 1 25 25 TYR C C 13 170.6 0.05 . 1 . . . . 23 TYR C . 15540 1 271 . 1 1 25 25 TYR CA C 13 53.13 0.05 . 1 . . . . 23 TYR CA . 15540 1 272 . 1 1 25 25 TYR CB C 13 39.23 0.05 . 1 . . . . 23 TYR CB . 15540 1 273 . 1 1 25 25 TYR N N 15 117.9 0.1 . 1 . . . . 23 TYR N . 15540 1 274 . 1 1 26 26 LEU H H 1 8.253 0.01 . 1 . . . . 24 LEU H . 15540 1 275 . 1 1 26 26 LEU HA H 1 4.001 0.01 . 1 . . . . 24 LEU HA . 15540 1 276 . 1 1 26 26 LEU HB2 H 1 1.686 0.01 . 2 . . . . 24 LEU HB2 . 15540 1 277 . 1 1 26 26 LEU HB3 H 1 1.686 0.01 . 2 . . . . 24 LEU HB3 . 15540 1 278 . 1 1 26 26 LEU HD11 H 1 0.780 0.01 . 2 . . . . 24 LEU HD1 . 15540 1 279 . 1 1 26 26 LEU HD12 H 1 0.780 0.01 . 2 . . . . 24 LEU HD1 . 15540 1 280 . 1 1 26 26 LEU HD13 H 1 0.780 0.01 . 2 . . . . 24 LEU HD1 . 15540 1 281 . 1 1 26 26 LEU HD21 H 1 0.673 0.01 . 2 . . . . 24 LEU HD2 . 15540 1 282 . 1 1 26 26 LEU HD22 H 1 0.673 0.01 . 2 . . . . 24 LEU HD2 . 15540 1 283 . 1 1 26 26 LEU HD23 H 1 0.673 0.01 . 2 . . . . 24 LEU HD2 . 15540 1 284 . 1 1 26 26 LEU HG H 1 1.050 0.01 . 1 . . . . 24 LEU HG . 15540 1 285 . 1 1 26 26 LEU C C 13 171.3 0.05 . 1 . . . . 24 LEU C . 15540 1 286 . 1 1 26 26 LEU CA C 13 50.44 0.05 . 1 . . . . 24 LEU CA . 15540 1 287 . 1 1 26 26 LEU CB C 13 36.69 0.05 . 1 . . . . 24 LEU CB . 15540 1 288 . 1 1 26 26 LEU CD1 C 13 18.07 0.05 . 2 . . . . 24 LEU CD1 . 15540 1 289 . 1 1 26 26 LEU CD2 C 13 18.07 0.05 . 2 . . . . 24 LEU CD2 . 15540 1 290 . 1 1 26 26 LEU CG C 13 19.02 0.05 . 1 . . . . 24 LEU CG . 15540 1 291 . 1 1 26 26 LEU N N 15 128 0.1 . 1 . . . . 24 LEU N . 15540 1 292 . 1 1 27 27 VAL H H 1 8.272 0.01 . 1 . . . . 25 VAL H . 15540 1 293 . 1 1 27 27 VAL HA H 1 4.129 0.01 . 1 . . . . 25 VAL HA . 15540 1 294 . 1 1 27 27 VAL HB H 1 1.865 0.01 . 1 . . . . 25 VAL HB . 15540 1 295 . 1 1 27 27 VAL HG11 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG1 . 15540 1 296 . 1 1 27 27 VAL HG12 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG1 . 15540 1 297 . 1 1 27 27 VAL HG13 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG1 . 15540 1 298 . 1 1 27 27 VAL HG21 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG2 . 15540 1 299 . 1 1 27 27 VAL HG22 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG2 . 15540 1 300 . 1 1 27 27 VAL HG23 H 1 0.9278 0.01 . 2 . . . . 25 VAL HG2 . 15540 1 301 . 1 1 27 27 VAL C C 13 170.7 0.05 . 1 . . . . 25 VAL C . 15540 1 302 . 1 1 27 27 VAL CA C 13 57.42 0.05 . 1 . . . . 25 VAL CA . 15540 1 303 . 1 1 27 27 VAL CB C 13 31.08 0.05 . 1 . . . . 25 VAL CB . 15540 1 304 . 1 1 27 27 VAL CG1 C 13 18.34 0.05 . 2 . . . . 25 VAL CG1 . 15540 1 305 . 1 1 27 27 VAL CG2 C 13 18.34 0.05 . 2 . . . . 25 VAL CG2 . 15540 1 306 . 1 1 27 27 VAL N N 15 124.6 0.1 . 1 . . . . 25 VAL N . 15540 1 307 . 1 1 28 28 ARG H H 1 8.116 0.01 . 1 . . . . 26 ARG H . 15540 1 308 . 1 1 28 28 ARG HA H 1 4.544 0.01 . 1 . . . . 26 ARG HA . 15540 1 309 . 1 1 28 28 ARG HB2 H 1 1.517 0.01 . 2 . . . . 26 ARG HB2 . 15540 1 310 . 1 1 28 28 ARG HB3 H 1 1.283 0.01 . 2 . . . . 26 ARG HB3 . 15540 1 311 . 1 1 28 28 ARG HD2 H 1 3.098 0.01 . 2 . . . . 26 ARG HD2 . 15540 1 312 . 1 1 28 28 ARG HD3 H 1 3.098 0.01 . 2 . . . . 26 ARG HD3 . 15540 1 313 . 1 1 28 28 ARG HG2 H 1 1.525 0.01 . 2 . . . . 26 ARG HG2 . 15540 1 314 . 1 1 28 28 ARG HG3 H 1 1.301 0.01 . 2 . . . . 26 ARG HG3 . 15540 1 315 . 1 1 28 28 ARG C C 13 173.4 0.05 . 1 . . . . 26 ARG C . 15540 1 316 . 1 1 28 28 ARG CA C 13 51.3 0.05 . 1 . . . . 26 ARG CA . 15540 1 317 . 1 1 28 28 ARG CB C 13 29.22 0.05 . 1 . . . . 26 ARG CB . 15540 1 318 . 1 1 28 28 ARG CD C 13 40.89 0.05 . 1 . . . . 26 ARG CD . 15540 1 319 . 1 1 28 28 ARG CG C 13 24.03 0.05 . 1 . . . . 26 ARG CG . 15540 1 320 . 1 1 28 28 ARG N N 15 122 0.1 . 1 . . . . 26 ARG N . 15540 1 321 . 1 1 29 29 TRP H H 1 8.67 0.01 . 1 . . . . 27 TRP H . 15540 1 322 . 1 1 29 29 TRP HA H 1 4.855 0.01 . 1 . . . . 27 TRP HA . 15540 1 323 . 1 1 29 29 TRP HB2 H 1 3.442 0.01 . 2 . . . . 27 TRP HB2 . 15540 1 324 . 1 1 29 29 TRP HB3 H 1 3.008 0.01 . 2 . . . . 27 TRP HB3 . 15540 1 325 . 1 1 29 29 TRP HE1 H 1 10.14 0.01 . 1 . . . . 27 TRP HE1 . 15540 1 326 . 1 1 29 29 TRP HH2 H 1 6.763 0.01 . 1 . . . . 27 TRP HH2 . 15540 1 327 . 1 1 29 29 TRP HZ2 H 1 7.453 0.01 . 1 . . . . 27 TRP HZ2 . 15540 1 328 . 1 1 29 29 TRP HZ3 H 1 6.434 0.01 . 1 . . . . 27 TRP HZ3 . 15540 1 329 . 1 1 29 29 TRP C C 13 175.2 0.05 . 1 . . . . 27 TRP C . 15540 1 330 . 1 1 29 29 TRP CA C 13 53.46 0.05 . 1 . . . . 27 TRP CA . 15540 1 331 . 1 1 29 29 TRP CB C 13 27.98 0.05 . 1 . . . . 27 TRP CB . 15540 1 332 . 1 1 29 29 TRP N N 15 128.7 0.1 . 1 . . . . 27 TRP N . 15540 1 333 . 1 1 29 29 TRP NE1 N 15 129.1 0.1 . 1 . . . . 27 TRP NE1 . 15540 1 334 . 1 1 30 30 LYS H H 1 8.633 0.01 . 1 . . . . 28 LYS H . 15540 1 335 . 1 1 30 30 LYS HA H 1 3.915 0.01 . 1 . . . . 28 LYS HA . 15540 1 336 . 1 1 30 30 LYS HB2 H 1 1.686 0.01 . 2 . . . . 28 LYS HB2 . 15540 1 337 . 1 1 30 30 LYS HB3 H 1 1.525 0.01 . 2 . . . . 28 LYS HB3 . 15540 1 338 . 1 1 30 30 LYS HD2 H 1 1.582 0.01 . 2 . . . . 28 LYS HD2 . 15540 1 339 . 1 1 30 30 LYS HD3 H 1 1.582 0.01 . 2 . . . . 28 LYS HD3 . 15540 1 340 . 1 1 30 30 LYS HE2 H 1 2.919 0.01 . 2 . . . . 28 LYS HE2 . 15540 1 341 . 1 1 30 30 LYS HE3 H 1 2.919 0.01 . 2 . . . . 28 LYS HE3 . 15540 1 342 . 1 1 30 30 LYS HG2 H 1 1.29 0.01 . 2 . . . . 28 LYS HG2 . 15540 1 343 . 1 1 30 30 LYS HG3 H 1 1.29 0.01 . 2 . . . . 28 LYS HG3 . 15540 1 344 . 1 1 30 30 LYS C C 13 174.3 0.05 . 1 . . . . 28 LYS C . 15540 1 345 . 1 1 30 30 LYS CA C 13 56.51 0.05 . 1 . . . . 28 LYS CA . 15540 1 346 . 1 1 30 30 LYS CB C 13 30.4 0.05 . 1 . . . . 28 LYS CB . 15540 1 347 . 1 1 30 30 LYS CD C 13 26.9 0.05 . 1 . . . . 28 LYS CD . 15540 1 348 . 1 1 30 30 LYS CE C 13 39.71 0.05 . 1 . . . . 28 LYS CE . 15540 1 349 . 1 1 30 30 LYS CG C 13 22.97 0.05 . 1 . . . . 28 LYS CG . 15540 1 350 . 1 1 30 30 LYS N N 15 123 0.1 . 1 . . . . 28 LYS N . 15540 1 351 . 1 1 31 31 ASP H H 1 8.593 0.01 . 1 . . . . 29 ASP H . 15540 1 352 . 1 1 31 31 ASP HA H 1 4.51 0.01 . 1 . . . . 29 ASP HA . 15540 1 353 . 1 1 31 31 ASP HB2 H 1 2.659 0.01 . 2 . . . . 29 ASP HB2 . 15540 1 354 . 1 1 31 31 ASP HB3 H 1 2.545 0.01 . 2 . . . . 29 ASP HB3 . 15540 1 355 . 1 1 31 31 ASP C C 13 173.7 0.05 . 1 . . . . 29 ASP C . 15540 1 356 . 1 1 31 31 ASP CA C 13 51.82 0.05 . 1 . . . . 29 ASP CA . 15540 1 357 . 1 1 31 31 ASP CB C 13 37.09 0.05 . 1 . . . . 29 ASP CB . 15540 1 358 . 1 1 31 31 ASP N N 15 117 0.1 . 1 . . . . 29 ASP N . 15540 1 359 . 1 1 32 32 GLY H H 1 8.011 0.01 . 1 . . . . 30 GLY H . 15540 1 360 . 1 1 32 32 GLY HA2 H 1 4.225 0.01 . 2 . . . . 30 GLY HA2 . 15540 1 361 . 1 1 32 32 GLY HA3 H 1 3.689 0.01 . 2 . . . . 30 GLY HA3 . 15540 1 362 . 1 1 32 32 GLY C C 13 172.7 0.05 . 1 . . . . 30 GLY C . 15540 1 363 . 1 1 32 32 GLY CA C 13 42.92 0.05 . 1 . . . . 30 GLY CA . 15540 1 364 . 1 1 32 32 GLY N N 15 110.2 0.1 . 1 . . . . 30 GLY N . 15540 1 365 . 1 1 33 33 GLY H H 1 7.626 0.01 . 1 . . . . 31 GLY H . 15540 1 366 . 1 1 33 33 GLY HA2 H 1 4.347 0.01 . 2 . . . . 31 GLY HA2 . 15540 1 367 . 1 1 33 33 GLY HA3 H 1 3.939 0.01 . 2 . . . . 31 GLY HA3 . 15540 1 368 . 1 1 33 33 GLY C C 13 170.9 0.05 . 1 . . . . 31 GLY C . 15540 1 369 . 1 1 33 33 GLY CA C 13 42.97 0.05 . 1 . . . . 31 GLY CA . 15540 1 370 . 1 1 33 33 GLY N N 15 107.1 0.1 . 1 . . . . 31 GLY N . 15540 1 371 . 1 1 34 34 ASP H H 1 8.45 0.01 . 1 . . . . 32 ASP H . 15540 1 372 . 1 1 34 34 ASP HA H 1 4.612 0.01 . 1 . . . . 32 ASP HA . 15540 1 373 . 1 1 34 34 ASP HB2 H 1 2.684 0.01 . 2 . . . . 32 ASP HB2 . 15540 1 374 . 1 1 34 34 ASP HB3 H 1 2.539 0.01 . 2 . . . . 32 ASP HB3 . 15540 1 375 . 1 1 34 34 ASP C C 13 173.2 0.05 . 1 . . . . 32 ASP C . 15540 1 376 . 1 1 34 34 ASP CA C 13 51.21 0.05 . 1 . . . . 32 ASP CA . 15540 1 377 . 1 1 34 34 ASP CB C 13 38.66 0.05 . 1 . . . . 32 ASP CB . 15540 1 378 . 1 1 34 34 ASP N N 15 120.6 0.1 . 1 . . . . 32 ASP N . 15540 1 379 . 1 1 35 35 CYS H H 1 8.307 0.01 . 1 . . . . 33 CYS H . 15540 1 380 . 1 1 35 35 CYS HA H 1 5.233 0.01 . 1 . . . . 33 CYS HA . 15540 1 381 . 1 1 35 35 CYS HB2 H 1 2.463 0.01 . 2 . . . . 33 CYS HB2 . 15540 1 382 . 1 1 35 35 CYS HB3 H 1 2.077 0.01 . 2 . . . . 33 CYS HB3 . 15540 1 383 . 1 1 35 35 CYS C C 13 172.1 0.05 . 1 . . . . 33 CYS C . 15540 1 384 . 1 1 35 35 CYS CA C 13 54.93 0.05 . 1 . . . . 33 CYS CA . 15540 1 385 . 1 1 35 35 CYS CB C 13 26.21 0.05 . 1 . . . . 33 CYS CB . 15540 1 386 . 1 1 35 35 CYS N N 15 117 0.1 . 1 . . . . 33 CYS N . 15540 1 387 . 1 1 36 36 GLU H H 1 8.319 0.01 . 1 . . . . 34 GLU H . 15540 1 388 . 1 1 36 36 GLU HA H 1 4.28 0.01 . 1 . . . . 34 GLU HA . 15540 1 389 . 1 1 36 36 GLU HB2 H 1 1.618 0.01 . 2 . . . . 34 GLU HB2 . 15540 1 390 . 1 1 36 36 GLU HB3 H 1 1.618 0.01 . 2 . . . . 34 GLU HB3 . 15540 1 391 . 1 1 36 36 GLU HG2 H 1 2.201 0.01 . 2 . . . . 34 GLU HG2 . 15540 1 392 . 1 1 36 36 GLU HG3 H 1 2.201 0.01 . 2 . . . . 34 GLU HG3 . 15540 1 393 . 1 1 36 36 GLU C C 13 171.7 0.05 . 1 . . . . 34 GLU C . 15540 1 394 . 1 1 36 36 GLU CA C 13 52.09 0.05 . 1 . . . . 34 GLU CA . 15540 1 395 . 1 1 36 36 GLU CB C 13 32.36 0.05 . 1 . . . . 34 GLU CB . 15540 1 396 . 1 1 36 36 GLU CG C 13 34.75 0.05 . 1 . . . . 34 GLU CG . 15540 1 397 . 1 1 36 36 GLU N N 15 122.5 0.1 . 1 . . . . 34 GLU N . 15540 1 398 . 1 1 37 37 TRP H H 1 8.606 0.01 . 1 . . . . 35 TRP H . 15540 1 399 . 1 1 37 37 TRP HA H 1 4.918 0.01 . 1 . . . . 35 TRP HA . 15540 1 400 . 1 1 37 37 TRP HB2 H 1 2.922 0.01 . 2 . . . . 35 TRP HB2 . 15540 1 401 . 1 1 37 37 TRP HB3 H 1 2.756 0.01 . 2 . . . . 35 TRP HB3 . 15540 1 402 . 1 1 37 37 TRP HE1 H 1 10.07 0.01 . 1 . . . . 35 TRP HE1 . 15540 1 403 . 1 1 37 37 TRP HH2 H 1 6.752 0.01 . 1 . . . . 35 TRP HH2 . 15540 1 404 . 1 1 37 37 TRP HZ2 H 1 7.102 0.01 . 1 . . . . 35 TRP HZ2 . 15540 1 405 . 1 1 37 37 TRP HZ3 H 1 6.434 0.01 . 1 . . . . 35 TRP HZ3 . 15540 1 406 . 1 1 37 37 TRP C C 13 174.3 0.05 . 1 . . . . 35 TRP C . 15540 1 407 . 1 1 37 37 TRP CA C 13 54.61 0.05 . 1 . . . . 35 TRP CA . 15540 1 408 . 1 1 37 37 TRP CB C 13 26.65 0.05 . 1 . . . . 35 TRP CB . 15540 1 409 . 1 1 37 37 TRP N N 15 125.2 0.1 . 1 . . . . 35 TRP N . 15540 1 410 . 1 1 37 37 TRP NE1 N 15 128.9 0.1 . 1 . . . . 35 TRP NE1 . 15540 1 411 . 1 1 38 38 VAL H H 1 9.732 0.01 . 1 . . . . 36 VAL H . 15540 1 412 . 1 1 38 38 VAL HA H 1 4.632 0.01 . 1 . . . . 36 VAL HA . 15540 1 413 . 1 1 38 38 VAL HB H 1 2.045 0.01 . 1 . . . . 36 VAL HB . 15540 1 414 . 1 1 38 38 VAL HG11 H 1 1.044 0.01 . 2 . . . . 36 VAL HG1 . 15540 1 415 . 1 1 38 38 VAL HG12 H 1 1.044 0.01 . 2 . . . . 36 VAL HG1 . 15540 1 416 . 1 1 38 38 VAL HG13 H 1 1.044 0.01 . 2 . . . . 36 VAL HG1 . 15540 1 417 . 1 1 38 38 VAL HG21 H 1 0.842 0.01 . 2 . . . . 36 VAL HG2 . 15540 1 418 . 1 1 38 38 VAL HG22 H 1 0.842 0.01 . 2 . . . . 36 VAL HG2 . 15540 1 419 . 1 1 38 38 VAL HG23 H 1 0.842 0.01 . 2 . . . . 36 VAL HG2 . 15540 1 420 . 1 1 38 38 VAL C C 13 172.8 0.05 . 1 . . . . 36 VAL C . 15540 1 421 . 1 1 38 38 VAL CA C 13 57.39 0.05 . 1 . . . . 36 VAL CA . 15540 1 422 . 1 1 38 38 VAL CB C 13 32.95 0.05 . 1 . . . . 36 VAL CB . 15540 1 423 . 1 1 38 38 VAL CG1 C 13 18.31 0.05 . 2 . . . . 36 VAL CG1 . 15540 1 424 . 1 1 38 38 VAL CG2 C 13 18.31 0.05 . 2 . . . . 36 VAL CG2 . 15540 1 425 . 1 1 38 38 VAL N N 15 124 0.1 . 1 . . . . 36 VAL N . 15540 1 426 . 1 1 39 39 LYS H H 1 8.896 0.01 . 1 . . . . 37 LYS H . 15540 1 427 . 1 1 39 39 LYS HA H 1 4.291 0.01 . 1 . . . . 37 LYS HA . 15540 1 428 . 1 1 39 39 LYS HB2 H 1 1.881 0.01 . 2 . . . . 37 LYS HB2 . 15540 1 429 . 1 1 39 39 LYS HB3 H 1 1.695 0.01 . 2 . . . . 37 LYS HB3 . 15540 1 430 . 1 1 39 39 LYS HD2 H 1 1.636 0.01 . 2 . . . . 37 LYS HD2 . 15540 1 431 . 1 1 39 39 LYS HD3 H 1 1.636 0.01 . 2 . . . . 37 LYS HD3 . 15540 1 432 . 1 1 39 39 LYS HE2 H 1 2.967 0.01 . 2 . . . . 37 LYS HE2 . 15540 1 433 . 1 1 39 39 LYS HE3 H 1 2.967 0.01 . 2 . . . . 37 LYS HE3 . 15540 1 434 . 1 1 39 39 LYS HG2 H 1 1.425 0.01 . 2 . . . . 37 LYS HG2 . 15540 1 435 . 1 1 39 39 LYS HG3 H 1 1.425 0.01 . 2 . . . . 37 LYS HG3 . 15540 1 436 . 1 1 39 39 LYS C C 13 175.4 0.05 . 1 . . . . 37 LYS C . 15540 1 437 . 1 1 39 39 LYS CA C 13 54.85 0.05 . 1 . . . . 37 LYS CA . 15540 1 438 . 1 1 39 39 LYS CB C 13 30.3 0.05 . 1 . . . . 37 LYS CB . 15540 1 439 . 1 1 39 39 LYS CD C 13 26.53 0.05 . 1 . . . . 37 LYS CD . 15540 1 440 . 1 1 39 39 LYS CE C 13 39.69 0.05 . 1 . . . . 37 LYS CE . 15540 1 441 . 1 1 39 39 LYS CG C 13 23.03 0.05 . 1 . . . . 37 LYS CG . 15540 1 442 . 1 1 39 39 LYS N N 15 123.9 0.1 . 1 . . . . 37 LYS N . 15540 1 443 . 1 1 40 40 GLY H H 1 8.593 0.01 . 1 . . . . 38 GLY H . 15540 1 444 . 1 1 40 40 GLY HA2 H 1 3.768 0.01 . 2 . . . . 38 GLY HA2 . 15540 1 445 . 1 1 40 40 GLY HA3 H 1 3.641 0.01 . 2 . . . . 38 GLY HA3 . 15540 1 446 . 1 1 40 40 GLY C C 13 172.7 0.05 . 1 . . . . 38 GLY C . 15540 1 447 . 1 1 40 40 GLY CA C 13 45.11 0.05 . 1 . . . . 38 GLY CA . 15540 1 448 . 1 1 40 40 GLY N N 15 109.9 0.1 . 1 . . . . 38 GLY N . 15540 1 449 . 1 1 41 41 VAL H H 1 7.45 0.01 . 1 . . . . 39 VAL H . 15540 1 450 . 1 1 41 41 VAL HA H 1 4.091 0.01 . 1 . . . . 39 VAL HA . 15540 1 451 . 1 1 41 41 VAL HB H 1 1.984 0.01 . 1 . . . . 39 VAL HB . 15540 1 452 . 1 1 41 41 VAL HG11 H 1 0.692 0.01 . 2 . . . . 39 VAL HG1 . 15540 1 453 . 1 1 41 41 VAL HG12 H 1 0.692 0.01 . 2 . . . . 39 VAL HG1 . 15540 1 454 . 1 1 41 41 VAL HG13 H 1 0.692 0.01 . 2 . . . . 39 VAL HG1 . 15540 1 455 . 1 1 41 41 VAL HG21 H 1 0.487 0.01 . 2 . . . . 39 VAL HG2 . 15540 1 456 . 1 1 41 41 VAL HG22 H 1 0.487 0.01 . 2 . . . . 39 VAL HG2 . 15540 1 457 . 1 1 41 41 VAL HG23 H 1 0.487 0.01 . 2 . . . . 39 VAL HG2 . 15540 1 458 . 1 1 41 41 VAL C C 13 173.6 0.05 . 1 . . . . 39 VAL C . 15540 1 459 . 1 1 41 41 VAL CA C 13 60.43 0.05 . 1 . . . . 39 VAL CA . 15540 1 460 . 1 1 41 41 VAL CB C 13 28.64 0.05 . 1 . . . . 39 VAL CB . 15540 1 461 . 1 1 41 41 VAL CG1 C 13 18.05 0.05 . 2 . . . . 39 VAL CG1 . 15540 1 462 . 1 1 41 41 VAL CG2 C 13 18.05 0.05 . 2 . . . . 39 VAL CG2 . 15540 1 463 . 1 1 41 41 VAL N N 15 113.3 0.1 . 1 . . . . 39 VAL N . 15540 1 464 . 1 1 42 42 HIS H H 1 7.982 0.01 . 1 . . . . 40 HIS H . 15540 1 465 . 1 1 42 42 HIS HA H 1 4.816 0.01 . 1 . . . . 40 HIS HA . 15540 1 466 . 1 1 42 42 HIS HB2 H 1 3.351 0.01 . 2 . . . . 40 HIS HB2 . 15540 1 467 . 1 1 42 42 HIS HB3 H 1 3.068 0.01 . 2 . . . . 40 HIS HB3 . 15540 1 468 . 1 1 42 42 HIS HD2 H 1 7.069 0.01 . 1 . . . . 40 HIS HD2 . 15540 1 469 . 1 1 42 42 HIS HE1 H 1 7.431 0.01 . 1 . . . . 40 HIS HE1 . 15540 1 470 . 1 1 42 42 HIS C C 13 171.5 0.05 . 1 . . . . 40 HIS C . 15540 1 471 . 1 1 42 42 HIS CA C 13 52.84 0.05 . 1 . . . . 40 HIS CA . 15540 1 472 . 1 1 42 42 HIS CB C 13 27.94 0.05 . 1 . . . . 40 HIS CB . 15540 1 473 . 1 1 42 42 HIS N N 15 119.1 0.1 . 1 . . . . 40 HIS N . 15540 1 474 . 1 1 43 43 VAL H H 1 7.72 0.01 . 1 . . . . 41 VAL H . 15540 1 475 . 1 1 43 43 VAL HA H 1 4.206 0.01 . 1 . . . . 41 VAL HA . 15540 1 476 . 1 1 43 43 VAL HB H 1 1.989 0.01 . 1 . . . . 41 VAL HB . 15540 1 477 . 1 1 43 43 VAL HG11 H 1 0.772 0.01 . 2 . . . . 41 VAL HG1 . 15540 1 478 . 1 1 43 43 VAL HG12 H 1 0.772 0.01 . 2 . . . . 41 VAL HG1 . 15540 1 479 . 1 1 43 43 VAL HG13 H 1 0.772 0.01 . 2 . . . . 41 VAL HG1 . 15540 1 480 . 1 1 43 43 VAL HG21 H 1 0.772 0.01 . 2 . . . . 41 VAL HG2 . 15540 1 481 . 1 1 43 43 VAL HG22 H 1 0.772 0.01 . 2 . . . . 41 VAL HG2 . 15540 1 482 . 1 1 43 43 VAL HG23 H 1 0.772 0.01 . 2 . . . . 41 VAL HG2 . 15540 1 483 . 1 1 43 43 VAL C C 13 172.1 0.05 . 1 . . . . 41 VAL C . 15540 1 484 . 1 1 43 43 VAL CA C 13 58.95 0.05 . 1 . . . . 41 VAL CA . 15540 1 485 . 1 1 43 43 VAL CB C 13 30.45 0.05 . 1 . . . . 41 VAL CB . 15540 1 486 . 1 1 43 43 VAL CG1 C 13 19.26 0.05 . 2 . . . . 41 VAL CG1 . 15540 1 487 . 1 1 43 43 VAL CG2 C 13 19.26 0.05 . 2 . . . . 41 VAL CG2 . 15540 1 488 . 1 1 43 43 VAL N N 15 120.3 0.1 . 1 . . . . 41 VAL N . 15540 1 489 . 1 1 44 44 ALA H H 1 8.53 0.01 . 1 . . . . 42 ALA H . 15540 1 490 . 1 1 44 44 ALA HA H 1 3.926 0.01 . 1 . . . . 42 ALA HA . 15540 1 491 . 1 1 44 44 ALA HB1 H 1 1.377 0.01 . 1 . . . . 42 ALA HB . 15540 1 492 . 1 1 44 44 ALA HB2 H 1 1.377 0.01 . 1 . . . . 42 ALA HB . 15540 1 493 . 1 1 44 44 ALA HB3 H 1 1.377 0.01 . 1 . . . . 42 ALA HB . 15540 1 494 . 1 1 44 44 ALA C C 13 175.4 0.05 . 1 . . . . 42 ALA C . 15540 1 495 . 1 1 44 44 ALA CA C 13 50.28 0.05 . 1 . . . . 42 ALA CA . 15540 1 496 . 1 1 44 44 ALA CB C 13 16.91 0.05 . 1 . . . . 42 ALA CB . 15540 1 497 . 1 1 44 44 ALA N N 15 129.4 0.1 . 1 . . . . 42 ALA N . 15540 1 498 . 1 1 45 45 GLU H H 1 8.583 0.01 . 1 . . . . 43 GLU H . 15540 1 499 . 1 1 45 45 GLU HA H 1 3.893 0.01 . 1 . . . . 43 GLU HA . 15540 1 500 . 1 1 45 45 GLU HB2 H 1 1.712 0.01 . 2 . . . . 43 GLU HB2 . 15540 1 501 . 1 1 45 45 GLU HB3 H 1 1.527 0.01 . 2 . . . . 43 GLU HB3 . 15540 1 502 . 1 1 45 45 GLU HG2 H 1 1.276 0.01 . 2 . . . . 43 GLU HG2 . 15540 1 503 . 1 1 45 45 GLU HG3 H 1 1.276 0.01 . 2 . . . . 43 GLU HG3 . 15540 1 504 . 1 1 45 45 GLU C C 13 175.3 0.05 . 1 . . . . 43 GLU C . 15540 1 505 . 1 1 45 45 GLU CA C 13 56.62 0.05 . 1 . . . . 43 GLU CA . 15540 1 506 . 1 1 45 45 GLU CB C 13 27.21 0.05 . 1 . . . . 43 GLU CB . 15540 1 507 . 1 1 45 45 GLU CG C 13 33.86 0.05 . 1 . . . . 43 GLU CG . 15540 1 508 . 1 1 45 45 GLU N N 15 121.1 0.1 . 1 . . . . 43 GLU N . 15540 1 509 . 1 1 46 46 ASP H H 1 8.661 0.01 . 1 . . . . 44 ASP H . 15540 1 510 . 1 1 46 46 ASP HA H 1 4.239 0.01 . 1 . . . . 44 ASP HA . 15540 1 511 . 1 1 46 46 ASP HB2 H 1 2.553 0.01 . 2 . . . . 44 ASP HB2 . 15540 1 512 . 1 1 46 46 ASP HB3 H 1 2.553 0.01 . 2 . . . . 44 ASP HB3 . 15540 1 513 . 1 1 46 46 ASP C C 13 174.5 0.05 . 1 . . . . 44 ASP C . 15540 1 514 . 1 1 46 46 ASP CA C 13 53.46 0.05 . 1 . . . . 44 ASP CA . 15540 1 515 . 1 1 46 46 ASP CB C 13 37.15 0.05 . 1 . . . . 44 ASP CB . 15540 1 516 . 1 1 46 46 ASP N N 15 117.3 0.1 . 1 . . . . 44 ASP N . 15540 1 517 . 1 1 47 47 VAL H H 1 7.118 0.01 . 1 . . . . 45 VAL H . 15540 1 518 . 1 1 47 47 VAL HA H 1 3.544 0.01 . 1 . . . . 45 VAL HA . 15540 1 519 . 1 1 47 47 VAL HB H 1 1.875 0.01 . 1 . . . . 45 VAL HB . 15540 1 520 . 1 1 47 47 VAL HG11 H 1 0.553 0.01 . 2 . . . . 45 VAL HG1 . 15540 1 521 . 1 1 47 47 VAL HG12 H 1 0.553 0.01 . 2 . . . . 45 VAL HG1 . 15540 1 522 . 1 1 47 47 VAL HG13 H 1 0.553 0.01 . 2 . . . . 45 VAL HG1 . 15540 1 523 . 1 1 47 47 VAL HG21 H 1 0.553 0.01 . 2 . . . . 45 VAL HG2 . 15540 1 524 . 1 1 47 47 VAL HG22 H 1 0.553 0.01 . 2 . . . . 45 VAL HG2 . 15540 1 525 . 1 1 47 47 VAL HG23 H 1 0.553 0.01 . 2 . . . . 45 VAL HG2 . 15540 1 526 . 1 1 47 47 VAL C C 13 175.5 0.05 . 1 . . . . 45 VAL C . 15540 1 527 . 1 1 47 47 VAL CA C 13 61.6 0.05 . 1 . . . . 45 VAL CA . 15540 1 528 . 1 1 47 47 VAL CB C 13 28.99 0.05 . 1 . . . . 45 VAL CB . 15540 1 529 . 1 1 47 47 VAL CG1 C 13 22.08 0.05 . 2 . . . . 45 VAL CG1 . 15540 1 530 . 1 1 47 47 VAL CG2 C 13 22.08 0.05 . 2 . . . . 45 VAL CG2 . 15540 1 531 . 1 1 47 47 VAL N N 15 121.2 0.1 . 1 . . . . 45 VAL N . 15540 1 532 . 1 1 48 48 ALA H H 1 7.72 0.01 . 1 . . . . 46 ALA H . 15540 1 533 . 1 1 48 48 ALA HA H 1 3.629 0.01 . 1 . . . . 46 ALA HA . 15540 1 534 . 1 1 48 48 ALA HB1 H 1 1.273 0.01 . 1 . . . . 46 ALA HB . 15540 1 535 . 1 1 48 48 ALA HB2 H 1 1.273 0.01 . 1 . . . . 46 ALA HB . 15540 1 536 . 1 1 48 48 ALA HB3 H 1 1.273 0.01 . 1 . . . . 46 ALA HB . 15540 1 537 . 1 1 48 48 ALA C C 13 175.9 0.05 . 1 . . . . 46 ALA C . 15540 1 538 . 1 1 48 48 ALA CA C 13 52.02 0.05 . 1 . . . . 46 ALA CA . 15540 1 539 . 1 1 48 48 ALA CB C 13 15.54 0.05 . 1 . . . . 46 ALA CB . 15540 1 540 . 1 1 48 48 ALA N N 15 122.7 0.1 . 1 . . . . 46 ALA N . 15540 1 541 . 1 1 49 49 LYS H H 1 8.188 0.01 . 1 . . . . 47 LYS H . 15540 1 542 . 1 1 49 49 LYS HA H 1 3.893 0.01 . 1 . . . . 47 LYS HA . 15540 1 543 . 1 1 49 49 LYS HB2 H 1 1.706 0.01 . 2 . . . . 47 LYS HB2 . 15540 1 544 . 1 1 49 49 LYS HB3 H 1 1.706 0.01 . 2 . . . . 47 LYS HB3 . 15540 1 545 . 1 1 49 49 LYS HG2 H 1 1.30 0.01 . 2 . . . . 47 LYS HG2 . 15540 1 546 . 1 1 49 49 LYS HG3 H 1 1.30 0.01 . 2 . . . . 47 LYS HG3 . 15540 1 547 . 1 1 49 49 LYS C C 13 175.1 0.05 . 1 . . . . 47 LYS C . 15540 1 548 . 1 1 49 49 LYS CA C 13 56.13 0.05 . 1 . . . . 47 LYS CA . 15540 1 549 . 1 1 49 49 LYS CB C 13 29.64 0.05 . 1 . . . . 47 LYS CB . 15540 1 550 . 1 1 49 49 LYS CD C 13 26.54 0.05 . 1 . . . . 47 LYS CD . 15540 1 551 . 1 1 49 49 LYS CE C 13 39.78 0.05 . 1 . . . . 47 LYS CE . 15540 1 552 . 1 1 49 49 LYS CG C 13 23.59 0.05 . 1 . . . . 47 LYS CG . 15540 1 553 . 1 1 49 49 LYS N N 15 118.4 0.1 . 1 . . . . 47 LYS N . 15540 1 554 . 1 1 50 50 ASP H H 1 7.817 0.01 . 1 . . . . 48 ASP H . 15540 1 555 . 1 1 50 50 ASP HA H 1 4.255 0.01 . 1 . . . . 48 ASP HA . 15540 1 556 . 1 1 50 50 ASP HB2 H 1 2.67 0.01 . 2 . . . . 48 ASP HB2 . 15540 1 557 . 1 1 50 50 ASP HB3 H 1 2.571 0.01 . 2 . . . . 48 ASP HB3 . 15540 1 558 . 1 1 50 50 ASP C C 13 175.5 0.05 . 1 . . . . 48 ASP C . 15540 1 559 . 1 1 50 50 ASP CA C 13 53.78 0.05 . 1 . . . . 48 ASP CA . 15540 1 560 . 1 1 50 50 ASP CB C 13 37.62 0.05 . 1 . . . . 48 ASP CB . 15540 1 561 . 1 1 50 50 ASP N N 15 118.3 0.1 . 1 . . . . 48 ASP N . 15540 1 562 . 1 1 51 51 TYR H H 1 7.412 0.01 . 1 . . . . 49 TYR H . 15540 1 563 . 1 1 51 51 TYR HA H 1 4.216 0.01 . 1 . . . . 49 TYR HA . 15540 1 564 . 1 1 51 51 TYR HB2 H 1 3.139 0.01 . 2 . . . . 49 TYR HB2 . 15540 1 565 . 1 1 51 51 TYR HB3 H 1 2.941 0.01 . 2 . . . . 49 TYR HB3 . 15540 1 566 . 1 1 51 51 TYR HD1 H 1 6.96 0.01 . 1 . . . . 49 TYR HD1 . 15540 1 567 . 1 1 51 51 TYR HD2 H 1 6.96 0.01 . 1 . . . . 49 TYR HD2 . 15540 1 568 . 1 1 51 51 TYR HE1 H 1 6.555 0.01 . 1 . . . . 49 TYR HE1 . 15540 1 569 . 1 1 51 51 TYR HE2 H 1 6.555 0.01 . 1 . . . . 49 TYR HE2 . 15540 1 570 . 1 1 51 51 TYR C C 13 174.3 0.05 . 1 . . . . 49 TYR C . 15540 1 571 . 1 1 51 51 TYR CA C 13 57.87 0.05 . 1 . . . . 49 TYR CA . 15540 1 572 . 1 1 51 51 TYR CB C 13 35.23 0.05 . 1 . . . . 49 TYR CB . 15540 1 573 . 1 1 51 51 TYR N N 15 119.6 0.1 . 1 . . . . 49 TYR N . 15540 1 574 . 1 1 52 52 GLU H H 1 8.417 0.01 . 1 . . . . 50 GLU H . 15540 1 575 . 1 1 52 52 GLU HA H 1 4.641 0.01 . 1 . . . . 50 GLU HA . 15540 1 576 . 1 1 52 52 GLU HB2 H 1 2.644 0.01 . 2 . . . . 50 GLU HB2 . 15540 1 577 . 1 1 52 52 GLU HB3 H 1 2.553 0.01 . 2 . . . . 50 GLU HB3 . 15540 1 578 . 1 1 52 52 GLU HG2 H 1 2.890 0.01 . 2 . . . . 50 GLU HG2 . 15540 1 579 . 1 1 52 52 GLU HG3 H 1 2.890 0.01 . 2 . . . . 50 GLU HG3 . 15540 1 580 . 1 1 52 52 GLU C C 13 172.3 0.05 . 1 . . . . 50 GLU C . 15540 1 581 . 1 1 52 52 GLU CA C 13 55.42 0.05 . 1 . . . . 50 GLU CA . 15540 1 582 . 1 1 52 52 GLU CB C 13 29.51 0.05 . 1 . . . . 50 GLU CB . 15540 1 583 . 1 1 52 52 GLU CG C 13 34.28 0.05 . 1 . . . . 50 GLU CG . 15540 1 584 . 1 1 52 52 GLU N N 15 120.1 0.1 . 1 . . . . 50 GLU N . 15540 1 585 . 1 1 53 53 ASP H H 1 8.626 0.01 . 1 . . . . 51 ASP H . 15540 1 586 . 1 1 53 53 ASP HA H 1 4.313 0.01 . 1 . . . . 51 ASP HA . 15540 1 587 . 1 1 53 53 ASP HB2 H 1 2.599 0.01 . 2 . . . . 51 ASP HB2 . 15540 1 588 . 1 1 53 53 ASP HB3 H 1 2.599 0.01 . 2 . . . . 51 ASP HB3 . 15540 1 589 . 1 1 53 53 ASP C C 13 175.1 0.05 . 1 . . . . 51 ASP C . 15540 1 590 . 1 1 53 53 ASP CA C 13 53.16 0.05 . 1 . . . . 51 ASP CA . 15540 1 591 . 1 1 53 53 ASP CB C 13 37.85 0.05 . 1 . . . . 51 ASP CB . 15540 1 592 . 1 1 53 53 ASP N N 15 119.6 0.1 . 1 . . . . 51 ASP N . 15540 1 593 . 1 1 54 54 GLY H H 1 7.61 0.01 . 1 . . . . 52 GLY H . 15540 1 594 . 1 1 54 54 GLY HA2 H 1 3.927 0.01 . 2 . . . . 52 GLY HA2 . 15540 1 595 . 1 1 54 54 GLY HA3 H 1 3.732 0.01 . 2 . . . . 52 GLY HA3 . 15540 1 596 . 1 1 54 54 GLY C C 13 171.9 0.01 . 1 . . . . 52 GLY C . 15540 1 597 . 1 1 54 54 GLY CA C 13 42.98 0.01 . 1 . . . . 52 GLY CA . 15540 1 598 . 1 1 54 54 GLY N N 15 106.8 0.01 . 1 . . . . 52 GLY N . 15540 1 599 . 1 1 55 55 LEU H H 1 7.257 0.01 . 1 . . . . 53 LEU H . 15540 1 600 . 1 1 55 55 LEU HA H 1 3.822 0.01 . 1 . . . . 53 LEU HA . 15540 1 601 . 1 1 55 55 LEU HB2 H 1 1.507 0.01 . 2 . . . . 53 LEU HB2 . 15540 1 602 . 1 1 55 55 LEU HB3 H 1 1.269 0.01 . 2 . . . . 53 LEU HB3 . 15540 1 603 . 1 1 55 55 LEU HD11 H 1 0.715 0.01 . 2 . . . . 53 LEU HD1 . 15540 1 604 . 1 1 55 55 LEU HD12 H 1 0.715 0.01 . 2 . . . . 53 LEU HD1 . 15540 1 605 . 1 1 55 55 LEU HD13 H 1 0.715 0.01 . 2 . . . . 53 LEU HD1 . 15540 1 606 . 1 1 55 55 LEU HD21 H 1 0.537 0.01 . 2 . . . . 53 LEU HD2 . 15540 1 607 . 1 1 55 55 LEU HD22 H 1 0.537 0.01 . 2 . . . . 53 LEU HD2 . 15540 1 608 . 1 1 55 55 LEU HD23 H 1 0.537 0.01 . 2 . . . . 53 LEU HD2 . 15540 1 609 . 1 1 55 55 LEU C C 13 174.6 0.05 . 1 . . . . 53 LEU C . 15540 1 610 . 1 1 55 55 LEU CA C 13 52.34 0.05 . 1 . . . . 53 LEU CA . 15540 1 611 . 1 1 55 55 LEU CB C 13 39.45 0.05 . 1 . . . . 53 LEU CB . 15540 1 612 . 1 1 55 55 LEU CD1 C 13 22.65 0.05 . 2 . . . . 53 LEU CD1 . 15540 1 613 . 1 1 55 55 LEU CD2 C 13 22.65 0.05 . 2 . . . . 53 LEU CD2 . 15540 1 614 . 1 1 55 55 LEU N N 15 120.6 0.1 . 1 . . . . 53 LEU N . 15540 1 615 . 1 1 56 56 GLU H H 1 7.947 0.01 . 1 . . . . 54 GLU H . 15540 1 616 . 1 1 56 56 GLU HA H 1 4.107 0.01 . 1 . . . . 54 GLU HA . 15540 1 617 . 1 1 56 56 GLU HB2 H 1 1.772 0.01 . 2 . . . . 54 GLU HB2 . 15540 1 618 . 1 1 56 56 GLU HB3 H 1 1.772 0.01 . 2 . . . . 54 GLU HB3 . 15540 1 619 . 1 1 56 56 GLU HG2 H 1 2.048 0.01 . 2 . . . . 54 GLU HG2 . 15540 1 620 . 1 1 56 56 GLU HG3 H 1 2.048 0.01 . 2 . . . . 54 GLU HG3 . 15540 1 621 . 1 1 56 56 GLU C C 13 173.1 0.05 . 1 . . . . 54 GLU C . 15540 1 622 . 1 1 56 56 GLU CA C 13 53.4 0.05 . 1 . . . . 54 GLU CA . 15540 1 623 . 1 1 56 56 GLU CB C 13 27.73 0.05 . 1 . . . . 54 GLU CB . 15540 1 624 . 1 1 56 56 GLU CG C 13 33.49 0.05 . 1 . . . . 54 GLU CG . 15540 1 625 . 1 1 56 56 GLU N N 15 120.5 0.1 . 1 . . . . 54 GLU N . 15540 1 626 . 1 1 57 57 TYR H H 1 7.88 0.01 . 1 . . . . 55 TYR H . 15540 1 627 . 1 1 57 57 TYR HA H 1 4.397 0.01 . 1 . . . . 55 TYR HA . 15540 1 628 . 1 1 57 57 TYR HB2 H 1 2.939 0.01 . 2 . . . . 55 TYR HB2 . 15540 1 629 . 1 1 57 57 TYR HB3 H 1 2.821 0.01 . 2 . . . . 55 TYR HB3 . 15540 1 630 . 1 1 57 57 TYR HD1 H 1 7.223 0.01 . 1 . . . . 55 TYR HD1 . 15540 1 631 . 1 1 57 57 TYR HD2 H 1 7.223 0.01 . 1 . . . . 55 TYR HD2 . 15540 1 632 . 1 1 57 57 TYR HE1 H 1 6.949 0.01 . 1 . . . . 55 TYR HE1 . 15540 1 633 . 1 1 57 57 TYR HE2 H 1 6.949 0.01 . 1 . . . . 55 TYR HE2 . 15540 1 634 . 1 1 57 57 TYR C C 13 172.2 0.05 . 1 . . . . 55 TYR C . 15540 1 635 . 1 1 57 57 TYR CA C 13 54.52 0.05 . 1 . . . . 55 TYR CA . 15540 1 636 . 1 1 57 57 TYR CB C 13 36.2 0.05 . 1 . . . . 55 TYR CB . 15540 1 637 . 1 1 57 57 TYR N N 15 120.96 0.1 . 1 . . . . 55 TYR N . 15540 1 638 . 1 1 58 58 ALA H H 1 8.038 0.01 . 1 . . . . 56 ALA H . 15540 1 639 . 1 1 58 58 ALA HA H 1 4.22 0.01 . 1 . . . . 56 ALA HA . 15540 1 640 . 1 1 58 58 ALA HB1 H 1 1.064 0.01 . 1 . . . . 56 ALA HB . 15540 1 641 . 1 1 58 58 ALA HB2 H 1 1.064 0.01 . 1 . . . . 56 ALA HB . 15540 1 642 . 1 1 58 58 ALA HB3 H 1 1.064 0.01 . 1 . . . . 56 ALA HB . 15540 1 643 . 1 1 58 58 ALA C C 13 173.9 0.05 . 1 . . . . 56 ALA C . 15540 1 644 . 1 1 58 58 ALA CA C 13 49.44 0.05 . 1 . . . . 56 ALA CA . 15540 1 645 . 1 1 58 58 ALA CB C 13 17.04 0.05 . 1 . . . . 56 ALA CB . 15540 1 646 . 1 1 58 58 ALA N N 15 125.7 0.1 . 1 . . . . 56 ALA N . 15540 1 647 . 1 1 59 59 VAL H H 1 8.466 0.01 . 1 . . . . 57 VAL H . 15540 1 648 . 1 1 59 59 VAL HA H 1 4.374 0.01 . 1 . . . . 57 VAL HA . 15540 1 649 . 1 1 59 59 VAL HB H 1 2.034 0.01 . 1 . . . . 57 VAL HB . 15540 1 650 . 1 1 59 59 VAL HG11 H 1 0.897 0.01 . 2 . . . . 57 VAL HG1 . 15540 1 651 . 1 1 59 59 VAL HG12 H 1 0.897 0.01 . 2 . . . . 57 VAL HG1 . 15540 1 652 . 1 1 59 59 VAL HG13 H 1 0.897 0.01 . 2 . . . . 57 VAL HG1 . 15540 1 653 . 1 1 59 59 VAL HG21 H 1 0.897 0.01 . 2 . . . . 57 VAL HG2 . 15540 1 654 . 1 1 59 59 VAL HG22 H 1 0.897 0.01 . 2 . . . . 57 VAL HG2 . 15540 1 655 . 1 1 59 59 VAL HG23 H 1 0.897 0.01 . 2 . . . . 57 VAL HG2 . 15540 1 656 . 1 1 59 59 VAL C C 13 173.2 0.05 . 1 . . . . 57 VAL C . 15540 1 657 . 1 1 59 59 VAL CA C 13 58.63 0.05 . 1 . . . . 57 VAL CA . 15540 1 658 . 1 1 59 59 VAL CB C 13 31.17 0.05 . 1 . . . . 57 VAL CB . 15540 1 659 . 1 1 59 59 VAL CG1 C 13 18.14 0.05 . 2 . . . . 57 VAL CG1 . 15540 1 660 . 1 1 59 59 VAL CG2 C 13 18.14 0.05 . 2 . . . . 57 VAL CG2 . 15540 1 661 . 1 1 59 59 VAL N N 15 120.1 0.1 . 1 . . . . 57 VAL N . 15540 1 662 . 1 1 60 60 ALA H H 1 8.822 0.01 . 1 . . . . 58 ALA H . 15540 1 663 . 1 1 60 60 ALA HA H 1 3.719 0.01 . 1 . . . . 58 ALA HA . 15540 1 664 . 1 1 60 60 ALA HB1 H 1 0.744 0.01 . 1 . . . . 58 ALA HB . 15540 1 665 . 1 1 60 60 ALA HB2 H 1 0.744 0.01 . 1 . . . . 58 ALA HB . 15540 1 666 . 1 1 60 60 ALA HB3 H 1 0.744 0.01 . 1 . . . . 58 ALA HB . 15540 1 667 . 1 1 60 60 ALA C C 13 173.2 0.05 . 1 . . . . 58 ALA C . 15540 1 668 . 1 1 60 60 ALA CA C 13 50.33 0.05 . 1 . . . . 58 ALA CA . 15540 1 669 . 1 1 60 60 ALA CB C 13 16.45 0.05 . 1 . . . . 58 ALA CB . 15540 1 670 . 1 1 60 60 ALA N N 15 131 0.1 . 1 . . . . 58 ALA N . 15540 1 671 . 1 1 61 61 GLU H H 1 9.258 0.01 . 1 . . . . 59 GLU H . 15540 1 672 . 1 1 61 61 GLU HA H 1 4.153 0.01 . 1 . . . . 59 GLU HA . 15540 1 673 . 1 1 61 61 GLU HB2 H 1 1.771 0.01 . 2 . . . . 59 GLU HB2 . 15540 1 674 . 1 1 61 61 GLU HB3 H 1 1.68 0.01 . 2 . . . . 59 GLU HB3 . 15540 1 675 . 1 1 61 61 GLU HG2 H 1 2.018 0.01 . 2 . . . . 59 GLU HG2 . 15540 1 676 . 1 1 61 61 GLU HG3 H 1 1.912 0.01 . 2 . . . . 59 GLU HG3 . 15540 1 677 . 1 1 61 61 GLU C C 13 173.3 0.05 . 1 . . . . 59 GLU C . 15540 1 678 . 1 1 61 61 GLU CA C 13 54.52 0.05 . 1 . . . . 59 GLU CA . 15540 1 679 . 1 1 61 61 GLU CB C 13 29.52 0.05 . 1 . . . . 59 GLU CB . 15540 1 680 . 1 1 61 61 GLU CG C 13 33.56 0.05 . 1 . . . . 59 GLU CG . 15540 1 681 . 1 1 61 61 GLU N N 15 123.2 0.1 . 1 . . . . 59 GLU N . 15540 1 682 . 1 1 62 62 SER H H 1 7.538 0.01 . 1 . . . . 60 SER H . 15540 1 683 . 1 1 62 62 SER HA H 1 4.33 0.01 . 1 . . . . 60 SER HA . 15540 1 684 . 1 1 62 62 SER HB2 H 1 3.712 0.01 . 2 . . . . 60 SER HB2 . 15540 1 685 . 1 1 62 62 SER HB3 H 1 3.468 0.01 . 2 . . . . 60 SER HB3 . 15540 1 686 . 1 1 62 62 SER C C 13 168.7 0.05 . 1 . . . . 60 SER C . 15540 1 687 . 1 1 62 62 SER CA C 13 54.8 0.05 . 1 . . . . 60 SER CA . 15540 1 688 . 1 1 62 62 SER CB C 13 62.34 0.05 . 1 . . . . 60 SER CB . 15540 1 689 . 1 1 62 62 SER N N 15 108.7 0.1 . 1 . . . . 60 SER N . 15540 1 690 . 1 1 63 63 VAL H H 1 8.48 0.01 . 1 . . . . 61 VAL H . 15540 1 691 . 1 1 63 63 VAL HA H 1 4.358 0.01 . 1 . . . . 61 VAL HA . 15540 1 692 . 1 1 63 63 VAL HB H 1 1.473 0.01 . 1 . . . . 61 VAL HB . 15540 1 693 . 1 1 63 63 VAL HG11 H 1 0.408 0.01 . 2 . . . . 61 VAL HG1 . 15540 1 694 . 1 1 63 63 VAL HG12 H 1 0.408 0.01 . 2 . . . . 61 VAL HG1 . 15540 1 695 . 1 1 63 63 VAL HG13 H 1 0.408 0.01 . 2 . . . . 61 VAL HG1 . 15540 1 696 . 1 1 63 63 VAL HG21 H 1 0.408 0.01 . 2 . . . . 61 VAL HG2 . 15540 1 697 . 1 1 63 63 VAL HG22 H 1 0.408 0.01 . 2 . . . . 61 VAL HG2 . 15540 1 698 . 1 1 63 63 VAL HG23 H 1 0.408 0.01 . 2 . . . . 61 VAL HG2 . 15540 1 699 . 1 1 63 63 VAL C C 13 173.1 0.05 . 1 . . . . 61 VAL C . 15540 1 700 . 1 1 63 63 VAL CA C 13 58.67 0.05 . 1 . . . . 61 VAL CA . 15540 1 701 . 1 1 63 63 VAL CB C 13 30.55 0.05 . 1 . . . . 61 VAL CB . 15540 1 702 . 1 1 63 63 VAL CG1 C 13 20.01 0.05 . 2 . . . . 61 VAL CG1 . 15540 1 703 . 1 1 63 63 VAL CG2 C 13 20.01 0.05 . 2 . . . . 61 VAL CG2 . 15540 1 704 . 1 1 63 63 VAL N N 15 121.2 0.1 . 1 . . . . 61 VAL N . 15540 1 705 . 1 1 64 64 ILE H H 1 8.756 0.01 . 1 . . . . 62 ILE H . 15540 1 706 . 1 1 64 64 ILE HA H 1 4.55 0.01 . 1 . . . . 62 ILE HA . 15540 1 707 . 1 1 64 64 ILE HB H 1 2.015 0.01 . 1 . . . . 62 ILE HB . 15540 1 708 . 1 1 64 64 ILE HG12 H 1 0.469 0.01 . 2 . . . . 62 ILE HG12 . 15540 1 709 . 1 1 64 64 ILE HG13 H 1 0.469 0.01 . 2 . . . . 62 ILE HG13 . 15540 1 710 . 1 1 64 64 ILE HG21 H 1 0.611 0.01 . 1 . . . . 62 ILE HG2 . 15540 1 711 . 1 1 64 64 ILE HG22 H 1 0.611 0.01 . 1 . . . . 62 ILE HG2 . 15540 1 712 . 1 1 64 64 ILE HG23 H 1 0.611 0.01 . 1 . . . . 62 ILE HG2 . 15540 1 713 . 1 1 64 64 ILE C C 13 173 0.05 . 1 . . . . 62 ILE C . 15540 1 714 . 1 1 64 64 ILE CA C 13 57.89 0.05 . 1 . . . . 62 ILE CA . 15540 1 715 . 1 1 64 64 ILE CB C 13 37 0.05 . 1 . . . . 62 ILE CB . 15540 1 716 . 1 1 64 64 ILE CD1 C 13 11.28 0.05 . 1 . . . . 62 ILE CD1 . 15540 1 717 . 1 1 64 64 ILE CG1 C 13 23.63 0.05 . 1 . . . . 62 ILE CG1 . 15540 1 718 . 1 1 64 64 ILE CG2 C 13 15.28 0.05 . 1 . . . . 62 ILE CG2 . 15540 1 719 . 1 1 64 64 ILE N N 15 116 0.1 . 1 . . . . 62 ILE N . 15540 1 720 . 1 1 65 65 GLY H H 1 6.889 0.01 . 1 . . . . 63 GLY H . 15540 1 721 . 1 1 65 65 GLY HA2 H 1 4.225 0.01 . 2 . . . . 63 GLY HA2 . 15540 1 722 . 1 1 65 65 GLY HA3 H 1 3.668 0.01 . 2 . . . . 63 GLY HA3 . 15540 1 723 . 1 1 65 65 GLY C C 13 167.7 0.05 . 1 . . . . 63 GLY C . 15540 1 724 . 1 1 65 65 GLY CA C 13 43.08 0.05 . 1 . . . . 63 GLY CA . 15540 1 725 . 1 1 65 65 GLY N N 15 110.1 0.1 . 1 . . . . 63 GLY N . 15540 1 726 . 1 1 66 66 LYS H H 1 8.597 0.01 . 1 . . . . 64 LYS H . 15540 1 727 . 1 1 66 66 LYS HA H 1 5.317 0.01 . 1 . . . . 64 LYS HA . 15540 1 728 . 1 1 66 66 LYS HB2 H 1 1.689 0.01 . 2 . . . . 64 LYS HB2 . 15540 1 729 . 1 1 66 66 LYS HB3 H 1 1.689 0.01 . 2 . . . . 64 LYS HB3 . 15540 1 730 . 1 1 66 66 LYS HD2 H 1 1.005 0.01 . 2 . . . . 64 LYS HD2 . 15540 1 731 . 1 1 66 66 LYS HD3 H 1 1.005 0.01 . 2 . . . . 64 LYS HD3 . 15540 1 732 . 1 1 66 66 LYS HG2 H 1 0.739 0.01 . 2 . . . . 64 LYS HG2 . 15540 1 733 . 1 1 66 66 LYS HG3 H 1 0.739 0.01 . 2 . . . . 64 LYS HG3 . 15540 1 734 . 1 1 66 66 LYS C C 13 171.2 0.05 . 1 . . . . 64 LYS C . 15540 1 735 . 1 1 66 66 LYS CA C 13 53.4 0.05 . 1 . . . . 64 LYS CA . 15540 1 736 . 1 1 66 66 LYS CB C 13 34.6 0.05 . 1 . . . . 64 LYS CB . 15540 1 737 . 1 1 66 66 LYS CD C 13 27.69 0.05 . 1 . . . . 64 LYS CD . 15540 1 738 . 1 1 66 66 LYS CE C 13 40.55 0.05 . 1 . . . . 64 LYS CE . 15540 1 739 . 1 1 66 66 LYS CG C 13 22 0.05 . 1 . . . . 64 LYS CG . 15540 1 740 . 1 1 66 66 LYS N N 15 121 0.1 . 1 . . . . 64 LYS N . 15540 1 741 . 1 1 67 67 ARG H H 1 9.239 0.01 . 1 . . . . 65 ARG H . 15540 1 742 . 1 1 67 67 ARG HA H 1 4.628 0.01 . 1 . . . . 65 ARG HA . 15540 1 743 . 1 1 67 67 ARG HB2 H 1 1.433 0.01 . 2 . . . . 65 ARG HB2 . 15540 1 744 . 1 1 67 67 ARG HB3 H 1 1.181 0.01 . 2 . . . . 65 ARG HB3 . 15540 1 745 . 1 1 67 67 ARG HD2 H 1 2.669 0.01 . 2 . . . . 65 ARG HD2 . 15540 1 746 . 1 1 67 67 ARG HD3 H 1 2.669 0.01 . 2 . . . . 65 ARG HD3 . 15540 1 747 . 1 1 67 67 ARG HG2 H 1 0.495 0.01 . 2 . . . . 65 ARG HG2 . 15540 1 748 . 1 1 67 67 ARG HG3 H 1 0.495 0.01 . 2 . . . . 65 ARG HG3 . 15540 1 749 . 1 1 67 67 ARG C C 13 169.9 0.05 . 1 . . . . 65 ARG C . 15540 1 750 . 1 1 67 67 ARG CA C 13 51.76 0.05 . 1 . . . . 65 ARG CA . 15540 1 751 . 1 1 67 67 ARG CB C 13 29.74 0.05 . 1 . . . . 65 ARG CB . 15540 1 752 . 1 1 67 67 ARG CD C 13 39.52 0.05 . 1 . . . . 65 ARG CD . 15540 1 753 . 1 1 67 67 ARG CG C 13 22.44 0.05 . 1 . . . . 65 ARG CG . 15540 1 754 . 1 1 67 67 ARG N N 15 124.1 0.1 . 1 . . . . 65 ARG N . 15540 1 755 . 1 1 68 68 VAL H H 1 8.003 0.01 . 1 . . . . 66 VAL H . 15540 1 756 . 1 1 68 68 VAL HA H 1 4.250 0.01 . 1 . . . . 66 VAL HA . 15540 1 757 . 1 1 68 68 VAL HB H 1 1.676 0.01 . 1 . . . . 66 VAL HB . 15540 1 758 . 1 1 68 68 VAL HG11 H 1 0.742 0.01 . 2 . . . . 66 VAL HG1 . 15540 1 759 . 1 1 68 68 VAL HG12 H 1 0.742 0.01 . 2 . . . . 66 VAL HG1 . 15540 1 760 . 1 1 68 68 VAL HG13 H 1 0.742 0.01 . 2 . . . . 66 VAL HG1 . 15540 1 761 . 1 1 68 68 VAL HG21 H 1 0.742 0.01 . 2 . . . . 66 VAL HG2 . 15540 1 762 . 1 1 68 68 VAL HG22 H 1 0.742 0.01 . 2 . . . . 66 VAL HG2 . 15540 1 763 . 1 1 68 68 VAL HG23 H 1 0.742 0.01 . 2 . . . . 66 VAL HG2 . 15540 1 764 . 1 1 68 68 VAL C C 13 173.9 0.05 . 1 . . . . 66 VAL C . 15540 1 765 . 1 1 68 68 VAL CA C 13 58.9 0.05 . 1 . . . . 66 VAL CA . 15540 1 766 . 1 1 68 68 VAL CB C 13 29.86 0.05 . 1 . . . . 66 VAL CB . 15540 1 767 . 1 1 68 68 VAL CG1 C 13 18.21 0.05 . 2 . . . . 66 VAL CG1 . 15540 1 768 . 1 1 68 68 VAL CG2 C 13 18.21 0.05 . 2 . . . . 66 VAL CG2 . 15540 1 769 . 1 1 68 68 VAL N N 15 119.8 0.1 . 1 . . . . 66 VAL N . 15540 1 770 . 1 1 69 69 GLY H H 1 8.943 0.01 . 1 . . . . 67 GLY H . 15540 1 771 . 1 1 69 69 GLY HA2 H 1 3.825 0.01 . 2 . . . . 67 GLY HA2 . 15540 1 772 . 1 1 69 69 GLY HA3 H 1 3.565 0.01 . 2 . . . . 67 GLY HA3 . 15540 1 773 . 1 1 69 69 GLY C C 13 172 0.05 . 1 . . . . 67 GLY C . 15540 1 774 . 1 1 69 69 GLY CA C 13 41.6 0.05 . 1 . . . . 67 GLY CA . 15540 1 775 . 1 1 69 69 GLY N N 15 120.2 0.1 . 1 . . . . 67 GLY N . 15540 1 776 . 1 1 70 70 ASP H H 1 8.587 0.01 . 1 . . . . 68 ASP H . 15540 1 777 . 1 1 70 70 ASP HA H 1 4.128 0.01 . 1 . . . . 68 ASP HA . 15540 1 778 . 1 1 70 70 ASP HB2 H 1 2.514 0.01 . 2 . . . . 68 ASP HB2 . 15540 1 779 . 1 1 70 70 ASP HB3 H 1 2.514 0.01 . 2 . . . . 68 ASP HB3 . 15540 1 780 . 1 1 70 70 ASP C C 13 173.9 0.05 . 1 . . . . 68 ASP C . 15540 1 781 . 1 1 70 70 ASP CA C 13 53.89 0.05 . 1 . . . . 68 ASP CA . 15540 1 782 . 1 1 70 70 ASP CB C 13 37.54 0.05 . 1 . . . . 68 ASP CB . 15540 1 783 . 1 1 70 70 ASP N N 15 120.2 0.1 . 1 . . . . 68 ASP N . 15540 1 784 . 1 1 71 71 ASP H H 1 8.017 0.01 . 1 . . . . 69 ASP H . 15540 1 785 . 1 1 71 71 ASP HA H 1 4.275 0.01 . 1 . . . . 69 ASP HA . 15540 1 786 . 1 1 71 71 ASP HB2 H 1 2.867 0.01 . 2 . . . . 69 ASP HB2 . 15540 1 787 . 1 1 71 71 ASP HB3 H 1 2.595 0.01 . 2 . . . . 69 ASP HB3 . 15540 1 788 . 1 1 71 71 ASP C C 13 174.9 0.05 . 1 . . . . 69 ASP C . 15540 1 789 . 1 1 71 71 ASP CA C 13 51.08 0.05 . 1 . . . . 69 ASP CA . 15540 1 790 . 1 1 71 71 ASP CB C 13 37.19 0.05 . 1 . . . . 69 ASP CB . 15540 1 791 . 1 1 71 71 ASP N N 15 116.9 0.1 . 1 . . . . 69 ASP N . 15540 1 792 . 1 1 72 72 GLY H H 1 8.176 0.01 . 1 . . . . 70 GLY H . 15540 1 793 . 1 1 72 72 GLY HA2 H 1 4.011 0.01 . 2 . . . . 70 GLY HA2 . 15540 1 794 . 1 1 72 72 GLY HA3 H 1 3.526 0.01 . 2 . . . . 70 GLY HA3 . 15540 1 795 . 1 1 72 72 GLY C C 13 171 0.05 . 1 . . . . 70 GLY C . 15540 1 796 . 1 1 72 72 GLY CA C 13 43.06 0.05 . 1 . . . . 70 GLY CA . 15540 1 797 . 1 1 72 72 GLY N N 15 108.3 0.1 . 1 . . . . 70 GLY N . 15540 1 798 . 1 1 73 73 LYS H H 1 8.384 0.01 . 1 . . . . 71 LYS H . 15540 1 799 . 1 1 73 73 LYS HA H 1 4.341 0.01 . 1 . . . . 71 LYS HA . 15540 1 800 . 1 1 73 73 LYS HB2 H 1 1.625 0.01 . 2 . . . . 71 LYS HB2 . 15540 1 801 . 1 1 73 73 LYS HB3 H 1 1.523 0.01 . 2 . . . . 71 LYS HB3 . 15540 1 802 . 1 1 73 73 LYS HD2 H 1 1.243 0.01 . 2 . . . . 71 LYS HD2 . 15540 1 803 . 1 1 73 73 LYS HD3 H 1 1.243 0.01 . 2 . . . . 71 LYS HD3 . 15540 1 804 . 1 1 73 73 LYS HG2 H 1 1.181 0.01 . 2 . . . . 71 LYS HG2 . 15540 1 805 . 1 1 73 73 LYS HG3 H 1 1.181 0.01 . 2 . . . . 71 LYS HG3 . 15540 1 806 . 1 1 73 73 LYS C C 13 173.3 0.05 . 1 . . . . 71 LYS C . 15540 1 807 . 1 1 73 73 LYS CA C 13 54.38 0.05 . 1 . . . . 71 LYS CA . 15540 1 808 . 1 1 73 73 LYS CB C 13 33.37 0.05 . 1 . . . . 71 LYS CB . 15540 1 809 . 1 1 73 73 LYS CD C 13 26.22 0.05 . 1 . . . . 71 LYS CD . 15540 1 810 . 1 1 73 73 LYS CE C 13 39.14 0.05 . 1 . . . . 71 LYS CE . 15540 1 811 . 1 1 73 73 LYS CG C 13 21.6 0.05 . 1 . . . . 71 LYS CG . 15540 1 812 . 1 1 73 73 LYS N N 15 119.3 0.1 . 1 . . . . 71 LYS N . 15540 1 813 . 1 1 74 74 THR H H 1 9.774 0.01 . 1 . . . . 72 THR H . 15540 1 814 . 1 1 74 74 THR HA H 1 4.034 0.01 . 1 . . . . 72 THR HA . 15540 1 815 . 1 1 74 74 THR HB H 1 3.981 0.01 . 1 . . . . 72 THR HB . 15540 1 816 . 1 1 74 74 THR HG21 H 1 1.167 0.01 . 1 . . . . 72 THR HG2 . 15540 1 817 . 1 1 74 74 THR HG22 H 1 1.167 0.01 . 1 . . . . 72 THR HG2 . 15540 1 818 . 1 1 74 74 THR HG23 H 1 1.167 0.01 . 1 . . . . 72 THR HG2 . 15540 1 819 . 1 1 74 74 THR C C 13 170.6 0.05 . 1 . . . . 72 THR C . 15540 1 820 . 1 1 74 74 THR CA C 13 61.38 0.05 . 1 . . . . 72 THR CA . 15540 1 821 . 1 1 74 74 THR CB C 13 65.83 0.05 . 1 . . . . 72 THR CB . 15540 1 822 . 1 1 74 74 THR CG2 C 13 18.67 0.05 . 1 . . . . 72 THR CG2 . 15540 1 823 . 1 1 74 74 THR N N 15 122.3 0.1 . 1 . . . . 72 THR N . 15540 1 824 . 1 1 75 75 ILE H H 1 8.292 0.01 . 1 . . . . 73 ILE H . 15540 1 825 . 1 1 75 75 ILE HA H 1 4.267 0.01 . 1 . . . . 73 ILE HA . 15540 1 826 . 1 1 75 75 ILE HB H 1 1.629 0.01 . 1 . . . . 73 ILE HB . 15540 1 827 . 1 1 75 75 ILE HD11 H 1 0.357 0.01 . 1 . . . . 73 ILE HD1 . 15540 1 828 . 1 1 75 75 ILE HD12 H 1 0.357 0.01 . 1 . . . . 73 ILE HD1 . 15540 1 829 . 1 1 75 75 ILE HD13 H 1 0.357 0.01 . 1 . . . . 73 ILE HD1 . 15540 1 830 . 1 1 75 75 ILE HG12 H 1 1.445 0.01 . 2 . . . . 73 ILE HG12 . 15540 1 831 . 1 1 75 75 ILE HG13 H 1 1.445 0.01 . 2 . . . . 73 ILE HG13 . 15540 1 832 . 1 1 75 75 ILE HG21 H 1 0.664 0.01 . 1 . . . . 73 ILE HG2 . 15540 1 833 . 1 1 75 75 ILE HG22 H 1 0.664 0.01 . 1 . . . . 73 ILE HG2 . 15540 1 834 . 1 1 75 75 ILE HG23 H 1 0.664 0.01 . 1 . . . . 73 ILE HG2 . 15540 1 835 . 1 1 75 75 ILE C C 13 172.2 0.05 . 1 . . . . 73 ILE C . 15540 1 836 . 1 1 75 75 ILE CA C 13 57.46 0.05 . 1 . . . . 73 ILE CA . 15540 1 837 . 1 1 75 75 ILE CB C 13 35 0.05 . 1 . . . . 73 ILE CB . 15540 1 838 . 1 1 75 75 ILE CD1 C 13 9.136 0.05 . 1 . . . . 73 ILE CD1 . 15540 1 839 . 1 1 75 75 ILE CG1 C 13 24.93 0.05 . 1 . . . . 73 ILE CG1 . 15540 1 840 . 1 1 75 75 ILE CG2 C 13 15.14 0.05 . 1 . . . . 73 ILE CG2 . 15540 1 841 . 1 1 75 75 ILE N N 15 128.4 0.1 . 1 . . . . 73 ILE N . 15540 1 842 . 1 1 76 76 GLU H H 1 8.616 0.01 . 1 . . . . 74 GLU H . 15540 1 843 . 1 1 76 76 GLU HA H 1 4.94 0.01 . 1 . . . . 74 GLU HA . 15540 1 844 . 1 1 76 76 GLU HB2 H 1 1.739 0.01 . 2 . . . . 74 GLU HB2 . 15540 1 845 . 1 1 76 76 GLU HB3 H 1 1.542 0.01 . 2 . . . . 74 GLU HB3 . 15540 1 846 . 1 1 76 76 GLU HG2 H 1 1.90 0.01 . 2 . . . . 74 GLU HG2 . 15540 1 847 . 1 1 76 76 GLU HG3 H 1 1.90 0.01 . 2 . . . . 74 GLU HG3 . 15540 1 848 . 1 1 76 76 GLU C C 13 171.6 0.05 . 1 . . . . 74 GLU C . 15540 1 849 . 1 1 76 76 GLU CA C 13 50.88 0.05 . 1 . . . . 74 GLU CA . 15540 1 850 . 1 1 76 76 GLU CB C 13 32.03 0.05 . 1 . . . . 74 GLU CB . 15540 1 851 . 1 1 76 76 GLU CG C 13 33.58 0.05 . 1 . . . . 74 GLU CG . 15540 1 852 . 1 1 76 76 GLU N N 15 125 0.1 . 1 . . . . 74 GLU N . 15540 1 853 . 1 1 77 77 TYR H H 1 9.207 0.01 . 1 . . . . 75 TYR H . 15540 1 854 . 1 1 77 77 TYR HA H 1 5.14 0.01 . 1 . . . . 75 TYR HA . 15540 1 855 . 1 1 77 77 TYR HB2 H 1 2.817 0.01 . 2 . . . . 75 TYR HB2 . 15540 1 856 . 1 1 77 77 TYR HB3 H 1 2.25 0.01 . 2 . . . . 75 TYR HB3 . 15540 1 857 . 1 1 77 77 TYR HD1 H 1 6.828 0.01 . 1 . . . . 75 TYR HD1 . 15540 1 858 . 1 1 77 77 TYR HD2 H 1 6.828 0.01 . 1 . . . . 75 TYR HD2 . 15540 1 859 . 1 1 77 77 TYR HE1 H 1 6.476 0.01 . 1 . . . . 75 TYR HE1 . 15540 1 860 . 1 1 77 77 TYR HE2 H 1 6.476 0.01 . 1 . . . . 75 TYR HE2 . 15540 1 861 . 1 1 77 77 TYR C C 13 170.6 0.05 . 1 . . . . 75 TYR C . 15540 1 862 . 1 1 77 77 TYR CA C 13 53.87 0.05 . 1 . . . . 75 TYR CA . 15540 1 863 . 1 1 77 77 TYR CB C 13 39.2 0.05 . 1 . . . . 75 TYR CB . 15540 1 864 . 1 1 77 77 TYR N N 15 117.8 0.1 . 1 . . . . 75 TYR N . 15540 1 865 . 1 1 78 78 LEU H H 1 7.363 0.01 . 1 . . . . 76 LEU H . 15540 1 866 . 1 1 78 78 LEU HA H 1 3.525 0.01 . 1 . . . . 76 LEU HA . 15540 1 867 . 1 1 78 78 LEU HB2 H 1 -1.522 0.01 . 2 . . . . 76 LEU HB2 . 15540 1 868 . 1 1 78 78 LEU HB3 H 1 -1.522 0.01 . 2 . . . . 76 LEU HB3 . 15540 1 869 . 1 1 78 78 LEU HD11 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD1 . 15540 1 870 . 1 1 78 78 LEU HD12 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD1 . 15540 1 871 . 1 1 78 78 LEU HD13 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD1 . 15540 1 872 . 1 1 78 78 LEU HD21 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD2 . 15540 1 873 . 1 1 78 78 LEU HD22 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD2 . 15540 1 874 . 1 1 78 78 LEU HD23 H 1 -0.845 0.01 . 2 . . . . 76 LEU HD2 . 15540 1 875 . 1 1 78 78 LEU HG H 1 0.137 0.01 . 1 . . . . 76 LEU HG . 15540 1 876 . 1 1 78 78 LEU C C 13 171.3 0.05 . 1 . . . . 76 LEU C . 15540 1 877 . 1 1 78 78 LEU CA C 13 50.29 0.01 . 1 . . . . 76 LEU CA . 15540 1 878 . 1 1 78 78 LEU CB C 13 36.26 0.01 . 1 . . . . 76 LEU CB . 15540 1 879 . 1 1 78 78 LEU CD1 C 13 22.32 0.01 . 2 . . . . 76 LEU CD1 . 15540 1 880 . 1 1 78 78 LEU CD2 C 13 22.32 0.01 . 2 . . . . 76 LEU CD2 . 15540 1 881 . 1 1 78 78 LEU CG C 13 16.76 0.01 . 1 . . . . 76 LEU CG . 15540 1 882 . 1 1 78 78 LEU N N 15 127.6 0.1 . 1 . . . . 76 LEU N . 15540 1 883 . 1 1 79 79 VAL H H 1 8.998 0.01 . 1 . . . . 77 VAL H . 15540 1 884 . 1 1 79 79 VAL HA H 1 3.922 0.01 . 1 . . . . 77 VAL HA . 15540 1 885 . 1 1 79 79 VAL HB H 1 1.521 0.01 . 1 . . . . 77 VAL HB . 15540 1 886 . 1 1 79 79 VAL HG11 H 1 0.464 0.01 . 2 . . . . 77 VAL HG1 . 15540 1 887 . 1 1 79 79 VAL HG12 H 1 0.464 0.01 . 2 . . . . 77 VAL HG1 . 15540 1 888 . 1 1 79 79 VAL HG13 H 1 0.464 0.01 . 2 . . . . 77 VAL HG1 . 15540 1 889 . 1 1 79 79 VAL C C 13 171.3 0.05 . 1 . . . . 77 VAL C . 15540 1 890 . 1 1 79 79 VAL CA C 13 59.29 0.05 . 1 . . . . 77 VAL CA . 15540 1 891 . 1 1 79 79 VAL CB C 13 31.05 0.05 . 1 . . . . 77 VAL CB . 15540 1 892 . 1 1 79 79 VAL CG1 C 13 20 0.05 . 2 . . . . 77 VAL CG1 . 15540 1 893 . 1 1 79 79 VAL CG2 C 13 20 0.05 . 2 . . . . 77 VAL CG2 . 15540 1 894 . 1 1 79 79 VAL N N 15 129.6 0.1 . 1 . . . . 77 VAL N . 15540 1 895 . 1 1 80 80 LYS H H 1 8.145 0.01 . 1 . . . . 78 LYS H . 15540 1 896 . 1 1 80 80 LYS HA H 1 4.224 0.01 . 1 . . . . 78 LYS HA . 15540 1 897 . 1 1 80 80 LYS HB2 H 1 1.738 0.01 . 2 . . . . 78 LYS HB2 . 15540 1 898 . 1 1 80 80 LYS HB3 H 1 1.218 0.01 . 2 . . . . 78 LYS HB3 . 15540 1 899 . 1 1 80 80 LYS HD2 H 1 1.448 0.01 . 2 . . . . 78 LYS HD2 . 15540 1 900 . 1 1 80 80 LYS HD3 H 1 1.448 0.01 . 2 . . . . 78 LYS HD3 . 15540 1 901 . 1 1 80 80 LYS HE2 H 1 2.738 0.01 . 2 . . . . 78 LYS HE2 . 15540 1 902 . 1 1 80 80 LYS HE3 H 1 2.738 0.01 . 2 . . . . 78 LYS HE3 . 15540 1 903 . 1 1 80 80 LYS HG2 H 1 1.641 0.01 . 2 . . . . 78 LYS HG2 . 15540 1 904 . 1 1 80 80 LYS HG3 H 1 1.641 0.01 . 2 . . . . 78 LYS HG3 . 15540 1 905 . 1 1 80 80 LYS C C 13 172.5 0.05 . 1 . . . . 78 LYS C . 15540 1 906 . 1 1 80 80 LYS CA C 13 51.58 0.05 . 1 . . . . 78 LYS CA . 15540 1 907 . 1 1 80 80 LYS CB C 13 30.92 0.05 . 1 . . . . 78 LYS CB . 15540 1 908 . 1 1 80 80 LYS CD C 13 26.39 0.05 . 1 . . . . 78 LYS CD . 15540 1 909 . 1 1 80 80 LYS CE C 13 36.68 0.05 . 1 . . . . 78 LYS CE . 15540 1 910 . 1 1 80 80 LYS CG C 13 22.35 0.05 . 1 . . . . 78 LYS CG . 15540 1 911 . 1 1 80 80 LYS N N 15 124.7 0.1 . 1 . . . . 78 LYS N . 15540 1 912 . 1 1 81 81 TRP H H 1 8.95 0.01 . 1 . . . . 79 TRP H . 15540 1 913 . 1 1 81 81 TRP HA H 1 4.757 0.01 . 1 . . . . 79 TRP HA . 15540 1 914 . 1 1 81 81 TRP HB2 H 1 3.241 0.01 . 2 . . . . 79 TRP HB2 . 15540 1 915 . 1 1 81 81 TRP HB3 H 1 2.927 0.01 . 2 . . . . 79 TRP HB3 . 15540 1 916 . 1 1 81 81 TRP HH2 H 1 6.829 0.01 . 1 . . . . 79 TRP HH2 . 15540 1 917 . 1 1 81 81 TRP HZ2 H 1 7.09 0.01 . 1 . . . . 79 TRP HZ2 . 15540 1 918 . 1 1 81 81 TRP C C 13 174.7 0.05 . 1 . . . . 79 TRP C . 15540 1 919 . 1 1 81 81 TRP CA C 13 53.33 0.05 . 1 . . . . 79 TRP CA . 15540 1 920 . 1 1 81 81 TRP CB C 13 28.91 0.05 . 1 . . . . 79 TRP CB . 15540 1 921 . 1 1 81 81 TRP N N 15 128.8 0.1 . 1 . . . . 79 TRP N . 15540 1 922 . 1 1 81 81 TRP NE1 N 15 129.1 0.1 . 1 . . . . 79 TRP NE1 . 15540 1 923 . 1 1 82 82 THR H H 1 8.89 0.01 . 1 . . . . 80 THR H . 15540 1 924 . 1 1 82 82 THR HA H 1 4.037 0.01 . 1 . . . . 80 THR HA . 15540 1 925 . 1 1 82 82 THR HB H 1 3.722 0.01 . 1 . . . . 80 THR HB . 15540 1 926 . 1 1 82 82 THR HG21 H 1 1.174 0.01 . 1 . . . . 80 THR HG2 . 15540 1 927 . 1 1 82 82 THR HG22 H 1 1.174 0.01 . 1 . . . . 80 THR HG2 . 15540 1 928 . 1 1 82 82 THR HG23 H 1 1.174 0.01 . 1 . . . . 80 THR HG2 . 15540 1 929 . 1 1 82 82 THR CA C 13 64.95 0.05 . 1 . . . . 80 THR CA . 15540 1 930 . 1 1 82 82 THR N N 15 116.3 0.1 . 1 . . . . 80 THR N . 15540 1 931 . 1 1 83 83 ASP HA H 1 4.35 0.01 . 1 . . . . 81 ASP HA . 15540 1 932 . 1 1 83 83 ASP HB2 H 1 2.774 0.01 . 2 . . . . 81 ASP HB2 . 15540 1 933 . 1 1 83 83 ASP HB3 H 1 2.774 0.01 . 2 . . . . 81 ASP HB3 . 15540 1 934 . 1 1 83 83 ASP C C 13 172.6 0.05 . 1 . . . . 81 ASP C . 15540 1 935 . 1 1 83 83 ASP CA C 13 52.37 0.05 . 1 . . . . 81 ASP CA . 15540 1 936 . 1 1 83 83 ASP CB C 13 37.49 0.05 . 1 . . . . 81 ASP CB . 15540 1 937 . 1 1 84 84 MET H H 1 7.607 0.01 . 1 . . . . 82 MET H . 15540 1 938 . 1 1 84 84 MET HA H 1 4.636 0.01 . 1 . . . . 82 MET HA . 15540 1 939 . 1 1 84 84 MET HB2 H 1 2.016 0.01 . 2 . . . . 82 MET HB2 . 15540 1 940 . 1 1 84 84 MET HB3 H 1 2.155 0.01 . 2 . . . . 82 MET HB3 . 15540 1 941 . 1 1 84 84 MET HG2 H 1 2.436 0.01 . 2 . . . . 82 MET HG2 . 15540 1 942 . 1 1 84 84 MET HG3 H 1 2.436 0.01 . 2 . . . . 82 MET HG3 . 15540 1 943 . 1 1 84 84 MET C C 13 173.9 0.05 . 1 . . . . 82 MET C . 15540 1 944 . 1 1 84 84 MET CA C 13 52.51 0.05 . 1 . . . . 82 MET CA . 15540 1 945 . 1 1 84 84 MET CB C 13 30.79 0.05 . 1 . . . . 82 MET CB . 15540 1 946 . 1 1 84 84 MET N N 15 114.8 0.1 . 1 . . . . 82 MET N . 15540 1 947 . 1 1 85 85 SER HA H 1 4.191 0.01 . 1 . . . . 83 SER HA . 15540 1 948 . 1 1 85 85 SER HB2 H 1 3.764 0.01 . 2 . . . . 83 SER HB2 . 15540 1 949 . 1 1 85 85 SER HB3 H 1 3.764 0.01 . 2 . . . . 83 SER HB3 . 15540 1 950 . 1 1 85 85 SER C C 13 171.6 0.05 . 1 . . . . 83 SER C . 15540 1 951 . 1 1 85 85 SER CA C 13 57.32 0.05 . 1 . . . . 83 SER CA . 15540 1 952 . 1 1 85 85 SER CB C 13 60.42 0.05 . 1 . . . . 83 SER CB . 15540 1 953 . 1 1 86 86 ASP H H 1 8.067 0.01 . 1 . . . . 84 ASP H . 15540 1 954 . 1 1 86 86 ASP HA H 1 4.623 0.01 . 1 . . . . 84 ASP HA . 15540 1 955 . 1 1 86 86 ASP HB2 H 1 2.505 0.01 . 2 . . . . 84 ASP HB2 . 15540 1 956 . 1 1 86 86 ASP HB3 H 1 2.38 0.01 . 2 . . . . 84 ASP HB3 . 15540 1 957 . 1 1 86 86 ASP C C 13 173 0.05 . 1 . . . . 84 ASP C . 15540 1 958 . 1 1 86 86 ASP CA C 13 51.78 0.05 . 1 . . . . 84 ASP CA . 15540 1 959 . 1 1 86 86 ASP CB C 13 38.68 0.05 . 1 . . . . 84 ASP CB . 15540 1 960 . 1 1 86 86 ASP N N 15 120.2 0.1 . 1 . . . . 84 ASP N . 15540 1 961 . 1 1 87 87 ALA H H 1 8.35 0.01 . 1 . . . . 85 ALA H . 15540 1 962 . 1 1 87 87 ALA HA H 1 4.926 0.01 . 1 . . . . 85 ALA HA . 15540 1 963 . 1 1 87 87 ALA HB1 H 1 0.878 0.01 . 1 . . . . 85 ALA HB . 15540 1 964 . 1 1 87 87 ALA HB2 H 1 0.878 0.01 . 1 . . . . 85 ALA HB . 15540 1 965 . 1 1 87 87 ALA HB3 H 1 0.878 0.01 . 1 . . . . 85 ALA HB . 15540 1 966 . 1 1 87 87 ALA C C 13 175 0.05 . 1 . . . . 85 ALA C . 15540 1 967 . 1 1 87 87 ALA CA C 13 49.47 0.05 . 1 . . . . 85 ALA CA . 15540 1 968 . 1 1 87 87 ALA CB C 13 16.72 0.05 . 1 . . . . 85 ALA CB . 15540 1 969 . 1 1 87 87 ALA N N 15 127.4 0.1 . 1 . . . . 85 ALA N . 15540 1 970 . 1 1 88 88 THR H H 1 8.49 0.01 . 1 . . . . 86 THR H . 15540 1 971 . 1 1 88 88 THR HA H 1 4.579 0.01 . 1 . . . . 86 THR HA . 15540 1 972 . 1 1 88 88 THR HB H 1 4.276 0.01 . 1 . . . . 86 THR HB . 15540 1 973 . 1 1 88 88 THR HG21 H 1 1.147 0.01 . 1 . . . . 86 THR HG2 . 15540 1 974 . 1 1 88 88 THR HG22 H 1 1.147 0.01 . 1 . . . . 86 THR HG2 . 15540 1 975 . 1 1 88 88 THR HG23 H 1 1.147 0.01 . 1 . . . . 86 THR HG2 . 15540 1 976 . 1 1 88 88 THR C C 13 170.5 0.05 . 1 . . . . 86 THR C . 15540 1 977 . 1 1 88 88 THR CA C 13 56.92 0.05 . 1 . . . . 86 THR CA . 15540 1 978 . 1 1 88 88 THR CB C 13 68.58 0.05 . 1 . . . . 86 THR CB . 15540 1 979 . 1 1 88 88 THR CG2 C 13 19.82 0.05 . 1 . . . . 86 THR CG2 . 15540 1 980 . 1 1 88 88 THR N N 15 111.7 0.1 . 1 . . . . 86 THR N . 15540 1 981 . 1 1 89 89 TRP H H 1 8.45 0.01 . 1 . . . . 87 TRP H . 15540 1 982 . 1 1 89 89 TRP HA H 1 4.827 0.01 . 1 . . . . 87 TRP HA . 15540 1 983 . 1 1 89 89 TRP HB2 H 1 2.851 0.01 . 2 . . . . 87 TRP HB2 . 15540 1 984 . 1 1 89 89 TRP HB3 H 1 2.669 0.01 . 2 . . . . 87 TRP HB3 . 15540 1 985 . 1 1 89 89 TRP HE1 H 1 10.69 0.01 . 1 . . . . 87 TRP HE1 . 15540 1 986 . 1 1 89 89 TRP HH2 H 1 6.763 0.01 . 1 . . . . 87 TRP HH2 . 15540 1 987 . 1 1 89 89 TRP HZ2 H 1 7.453 0.01 . 1 . . . . 87 TRP HZ2 . 15540 1 988 . 1 1 89 89 TRP HZ3 H 1 6.434 0.01 . 1 . . . . 87 TRP HZ3 . 15540 1 989 . 1 1 89 89 TRP C C 13 174.2 0.05 . 1 . . . . 87 TRP C . 15540 1 990 . 1 1 89 89 TRP CA C 13 53.94 0.05 . 1 . . . . 87 TRP CA . 15540 1 991 . 1 1 89 89 TRP CB C 13 26.76 0.05 . 1 . . . . 87 TRP CB . 15540 1 992 . 1 1 89 89 TRP N N 15 123.3 0.1 . 1 . . . . 87 TRP N . 15540 1 993 . 1 1 89 89 TRP NE1 N 15 128.9 0.1 . 1 . . . . 87 TRP NE1 . 15540 1 994 . 1 1 90 90 GLU H H 1 9.702 0.01 . 1 . . . . 88 GLU H . 15540 1 995 . 1 1 90 90 GLU HA H 1 5.083 0.01 . 1 . . . . 88 GLU HA . 15540 1 996 . 1 1 90 90 GLU HB2 H 1 1.747 0.01 . 2 . . . . 88 GLU HB2 . 15540 1 997 . 1 1 90 90 GLU HB3 H 1 1.542 0.01 . 2 . . . . 88 GLU HB3 . 15540 1 998 . 1 1 90 90 GLU HG2 H 1 2.052 0.01 . 2 . . . . 88 GLU HG2 . 15540 1 999 . 1 1 90 90 GLU HG3 H 1 2.052 0.01 . 2 . . . . 88 GLU HG3 . 15540 1 1000 . 1 1 90 90 GLU C C 13 171.1 0.05 . 1 . . . . 88 GLU C . 15540 1 1001 . 1 1 90 90 GLU CA C 13 49.41 0.05 . 1 . . . . 88 GLU CA . 15540 1 1002 . 1 1 90 90 GLU CB C 13 29.78 0.05 . 1 . . . . 88 GLU CB . 15540 1 1003 . 1 1 90 90 GLU N N 15 125.2 0.1 . 1 . . . . 88 GLU N . 15540 1 1004 . 1 1 91 91 PRO HA H 1 4.619 0.01 . 1 . . . . 89 PRO HA . 15540 1 1005 . 1 1 91 91 PRO HB2 H 1 2.359 0.01 . 2 . . . . 89 PRO HB2 . 15540 1 1006 . 1 1 91 91 PRO HB3 H 1 2.072 0.01 . 2 . . . . 89 PRO HB3 . 15540 1 1007 . 1 1 91 91 PRO HD2 H 1 3.881 0.01 . 2 . . . . 89 PRO HD2 . 15540 1 1008 . 1 1 91 91 PRO HD3 H 1 3.881 0.01 . 2 . . . . 89 PRO HD3 . 15540 1 1009 . 1 1 91 91 PRO HG2 H 1 2.072 0.01 . 2 . . . . 89 PRO HG2 . 15540 1 1010 . 1 1 91 91 PRO HG3 H 1 2.072 0.01 . 2 . . . . 89 PRO HG3 . 15540 1 1011 . 1 1 91 91 PRO C C 13 175.6 0.05 . 1 . . . . 89 PRO C . 15540 1 1012 . 1 1 91 91 PRO CA C 13 59.87 0.05 . 1 . . . . 89 PRO CA . 15540 1 1013 . 1 1 91 91 PRO CB C 13 29.54 0.05 . 1 . . . . 89 PRO CB . 15540 1 1014 . 1 1 91 91 PRO CD C 13 47.64 0.05 . 1 . . . . 89 PRO CD . 15540 1 1015 . 1 1 91 91 PRO CG C 13 24.59 0.05 . 1 . . . . 89 PRO CG . 15540 1 1016 . 1 1 92 92 GLN H H 1 8.433 0.01 . 1 . . . . 90 GLN H . 15540 1 1017 . 1 1 92 92 GLN HA H 1 3.987 0.01 . 1 . . . . 90 GLN HA . 15540 1 1018 . 1 1 92 92 GLN HB2 H 1 2.345 0.01 . 2 . . . . 90 GLN HB2 . 15540 1 1019 . 1 1 92 92 GLN HB3 H 1 2.129 0.01 . 2 . . . . 90 GLN HB3 . 15540 1 1020 . 1 1 92 92 GLN HG2 H 1 2.519 0.01 . 2 . . . . 90 GLN HG2 . 15540 1 1021 . 1 1 92 92 GLN HG3 H 1 2.519 0.01 . 2 . . . . 90 GLN HG3 . 15540 1 1022 . 1 1 92 92 GLN C C 13 173.7 0.05 . 1 . . . . 90 GLN C . 15540 1 1023 . 1 1 92 92 GLN CA C 13 56.95 0.05 . 1 . . . . 90 GLN CA . 15540 1 1024 . 1 1 92 92 GLN CB C 13 26.15 0.05 . 1 . . . . 90 GLN CB . 15540 1 1025 . 1 1 92 92 GLN CG C 13 30.10 0.05 . 1 . . . . 90 GLN CG . 15540 1 1026 . 1 1 92 92 GLN N N 15 118.9 0.1 . 1 . . . . 90 GLN N . 15540 1 1027 . 1 1 93 93 ASP H H 1 8.551 0.01 . 1 . . . . 91 ASP H . 15540 1 1028 . 1 1 93 93 ASP HA H 1 4.46 0.01 . 1 . . . . 91 ASP HA . 15540 1 1029 . 1 1 93 93 ASP HB2 H 1 2.691 0.01 . 2 . . . . 91 ASP HB2 . 15540 1 1030 . 1 1 93 93 ASP HB3 H 1 2.531 0.01 . 2 . . . . 91 ASP HB3 . 15540 1 1031 . 1 1 93 93 ASP C C 13 173.7 0.05 . 1 . . . . 91 ASP C . 15540 1 1032 . 1 1 93 93 ASP CA C 13 53.2 0.05 . 1 . . . . 91 ASP CA . 15540 1 1033 . 1 1 93 93 ASP CB C 13 37.4 0.05 . 1 . . . . 91 ASP CB . 15540 1 1034 . 1 1 93 93 ASP N N 15 116 0.1 . 1 . . . . 91 ASP N . 15540 1 1035 . 1 1 94 94 ASN H H 1 8.256 0.01 . 1 . . . . 92 ASN H . 15540 1 1036 . 1 1 94 94 ASN HA H 1 4.924 0.01 . 1 . . . . 92 ASN HA . 15540 1 1037 . 1 1 94 94 ASN HB2 H 1 3.073 0.01 . 2 . . . . 92 ASN HB2 . 15540 1 1038 . 1 1 94 94 ASN HB3 H 1 2.705 0.01 . 2 . . . . 92 ASN HB3 . 15540 1 1039 . 1 1 94 94 ASN C C 13 171.8 0.05 . 1 . . . . 92 ASN C . 15540 1 1040 . 1 1 94 94 ASN CA C 13 49.73 0.01 . 1 . . . . 92 ASN CA . 15540 1 1041 . 1 1 94 94 ASN CB C 13 37.26 0.01 . 1 . . . . 92 ASN CB . 15540 1 1042 . 1 1 94 94 ASN N N 15 116.4 0.1 . 1 . . . . 92 ASN N . 15540 1 1043 . 1 1 95 95 VAL H H 1 7.257 0.01 . 1 . . . . 93 VAL H . 15540 1 1044 . 1 1 95 95 VAL HA H 1 3.947 0.01 . 1 . . . . 93 VAL HA . 15540 1 1045 . 1 1 95 95 VAL HB H 1 1.639 0.01 . 1 . . . . 93 VAL HB . 15540 1 1046 . 1 1 95 95 VAL HG11 H 1 0.721 0.01 . 2 . . . . 93 VAL HG1 . 15540 1 1047 . 1 1 95 95 VAL HG12 H 1 0.721 0.01 . 2 . . . . 93 VAL HG1 . 15540 1 1048 . 1 1 95 95 VAL HG13 H 1 0.721 0.01 . 2 . . . . 93 VAL HG1 . 15540 1 1049 . 1 1 95 95 VAL HG21 H 1 0.480 0.01 . 2 . . . . 93 VAL HG2 . 15540 1 1050 . 1 1 95 95 VAL HG22 H 1 0.480 0.01 . 2 . . . . 93 VAL HG2 . 15540 1 1051 . 1 1 95 95 VAL HG23 H 1 0.480 0.01 . 2 . . . . 93 VAL HG2 . 15540 1 1052 . 1 1 95 95 VAL C C 13 171.8 0.05 . 1 . . . . 93 VAL C . 15540 1 1053 . 1 1 95 95 VAL CA C 13 58.66 0.05 . 1 . . . . 93 VAL CA . 15540 1 1054 . 1 1 95 95 VAL CB C 13 30.85 0.05 . 1 . . . . 93 VAL CB . 15540 1 1055 . 1 1 95 95 VAL CG1 C 13 18.86 0.05 . 2 . . . . 93 VAL CG1 . 15540 1 1056 . 1 1 95 95 VAL CG2 C 13 18.86 0.05 . 2 . . . . 93 VAL CG2 . 15540 1 1057 . 1 1 95 95 VAL N N 15 119.7 0.1 . 1 . . . . 93 VAL N . 15540 1 1058 . 1 1 96 96 ASP H H 1 8.456 0.01 . 1 . . . . 94 ASP H . 15540 1 1059 . 1 1 96 96 ASP HA H 1 4.271 0.01 . 1 . . . . 94 ASP HA . 15540 1 1060 . 1 1 96 96 ASP HB2 H 1 2.588 0.01 . 2 . . . . 94 ASP HB2 . 15540 1 1061 . 1 1 96 96 ASP HB3 H 1 2.418 0.01 . 2 . . . . 94 ASP HB3 . 15540 1 1062 . 1 1 96 96 ASP C C 13 174.9 0.05 . 1 . . . . 94 ASP C . 15540 1 1063 . 1 1 96 96 ASP CA C 13 52.59 0.05 . 1 . . . . 94 ASP CA . 15540 1 1064 . 1 1 96 96 ASP CB C 13 45.69 0.05 . 1 . . . . 94 ASP CB . 15540 1 1065 . 1 1 96 96 ASP N N 15 128.2 0.1 . 1 . . . . 94 ASP N . 15540 1 1066 . 1 1 97 97 SER H H 1 8.776 0.01 . 1 . . . . 95 SER H . 15540 1 1067 . 1 1 97 97 SER HA H 1 3.838 0.01 . 1 . . . . 95 SER HA . 15540 1 1068 . 1 1 97 97 SER HB2 H 1 3.688 0.01 . 2 . . . . 95 SER HB2 . 15540 1 1069 . 1 1 97 97 SER HB3 H 1 3.688 0.01 . 2 . . . . 95 SER HB3 . 15540 1 1070 . 1 1 97 97 SER C C 13 174 0.05 . 1 . . . . 95 SER C . 15540 1 1071 . 1 1 97 97 SER CA C 13 59.07 0.05 . 1 . . . . 95 SER CA . 15540 1 1072 . 1 1 97 97 SER CB C 13 60.11 0.05 . 1 . . . . 95 SER CB . 15540 1 1073 . 1 1 97 97 SER N N 15 122.8 0.1 . 1 . . . . 95 SER N . 15540 1 1074 . 1 1 98 98 THR H H 1 8.487 0.01 . 1 . . . . 96 THR H . 15540 1 1075 . 1 1 98 98 THR HA H 1 4.078 0.01 . 1 . . . . 96 THR HA . 15540 1 1076 . 1 1 98 98 THR HB H 1 3.857 0.01 . 1 . . . . 96 THR HB . 15540 1 1077 . 1 1 98 98 THR HG21 H 1 1.145 0.01 . 1 . . . . 96 THR HG2 . 15540 1 1078 . 1 1 98 98 THR HG22 H 1 1.145 0.01 . 1 . . . . 96 THR HG2 . 15540 1 1079 . 1 1 98 98 THR HG23 H 1 1.145 0.01 . 1 . . . . 96 THR HG2 . 15540 1 1080 . 1 1 98 98 THR C C 13 173.8 0.05 . 1 . . . . 96 THR C . 15540 1 1081 . 1 1 98 98 THR CA C 13 63.44 0.05 . 1 . . . . 96 THR CA . 15540 1 1082 . 1 1 98 98 THR CB C 13 65.5 0.05 . 1 . . . . 96 THR CB . 15540 1 1083 . 1 1 98 98 THR CG2 C 13 19.27 0.05 . 1 . . . . 96 THR CG2 . 15540 1 1084 . 1 1 98 98 THR N N 15 118.4 0.1 . 1 . . . . 96 THR N . 15540 1 1085 . 1 1 99 99 LEU H H 1 7.322 0.01 . 1 . . . . 97 LEU H . 15540 1 1086 . 1 1 99 99 LEU HA H 1 3.959 0.01 . 1 . . . . 97 LEU HA . 15540 1 1087 . 1 1 99 99 LEU HB2 H 1 1.64 0.01 . 2 . . . . 97 LEU HB2 . 15540 1 1088 . 1 1 99 99 LEU HB3 H 1 1.155 0.01 . 2 . . . . 97 LEU HB3 . 15540 1 1089 . 1 1 99 99 LEU HD11 H 1 0.536 0.01 . 2 . . . . 97 LEU HD1 . 15540 1 1090 . 1 1 99 99 LEU HD12 H 1 0.536 0.01 . 2 . . . . 97 LEU HD1 . 15540 1 1091 . 1 1 99 99 LEU HD13 H 1 0.536 0.01 . 2 . . . . 97 LEU HD1 . 15540 1 1092 . 1 1 99 99 LEU HD21 H 1 0.536 0.01 . 2 . . . . 97 LEU HD2 . 15540 1 1093 . 1 1 99 99 LEU HD22 H 1 0.536 0.01 . 2 . . . . 97 LEU HD2 . 15540 1 1094 . 1 1 99 99 LEU HD23 H 1 0.536 0.01 . 2 . . . . 97 LEU HD2 . 15540 1 1095 . 1 1 99 99 LEU HG H 1 1.466 0.01 . 1 . . . . 97 LEU HG . 15540 1 1096 . 1 1 99 99 LEU C C 13 177.8 0.05 . 1 . . . . 97 LEU C . 15540 1 1097 . 1 1 99 99 LEU CA C 13 54.74 0.05 . 1 . . . . 97 LEU CA . 15540 1 1098 . 1 1 99 99 LEU CB C 13 39.02 0.05 . 1 . . . . 97 LEU CB . 15540 1 1099 . 1 1 99 99 LEU CD1 C 13 19.79 0.05 . 2 . . . . 97 LEU CD1 . 15540 1 1100 . 1 1 99 99 LEU CD2 C 13 19.79 0.05 . 2 . . . . 97 LEU CD2 . 15540 1 1101 . 1 1 99 99 LEU CG C 13 22.88 0.05 . 1 . . . . 97 LEU CG . 15540 1 1102 . 1 1 99 99 LEU N N 15 120.1 0.1 . 1 . . . . 97 LEU N . 15540 1 1103 . 1 1 100 100 VAL H H 1 7.05 0.01 . 1 . . . . 98 VAL H . 15540 1 1104 . 1 1 100 100 VAL HA H 1 4.06 0.01 . 1 . . . . 98 VAL HA . 15540 1 1105 . 1 1 100 100 VAL HB H 1 1.724 0.01 . 1 . . . . 98 VAL HB . 15540 1 1106 . 1 1 100 100 VAL HG11 H 1 0.664 0.01 . 2 . . . . 98 VAL HG1 . 15540 1 1107 . 1 1 100 100 VAL HG12 H 1 0.664 0.01 . 2 . . . . 98 VAL HG1 . 15540 1 1108 . 1 1 100 100 VAL HG13 H 1 0.664 0.01 . 2 . . . . 98 VAL HG1 . 15540 1 1109 . 1 1 100 100 VAL HG21 H 1 0.151 0.01 . 2 . . . . 98 VAL HG2 . 15540 1 1110 . 1 1 100 100 VAL HG22 H 1 0.151 0.01 . 2 . . . . 98 VAL HG2 . 15540 1 1111 . 1 1 100 100 VAL HG23 H 1 0.151 0.01 . 2 . . . . 98 VAL HG2 . 15540 1 1112 . 1 1 100 100 VAL C C 13 174.7 0.05 . 1 . . . . 98 VAL C . 15540 1 1113 . 1 1 100 100 VAL CA C 13 64.12 0.05 . 1 . . . . 98 VAL CA . 15540 1 1114 . 1 1 100 100 VAL CB C 13 28.82 0.05 . 1 . . . . 98 VAL CB . 15540 1 1115 . 1 1 100 100 VAL CG1 C 13 23 0.05 . 2 . . . . 98 VAL CG1 . 15540 1 1116 . 1 1 100 100 VAL CG2 C 13 23 0.05 . 2 . . . . 98 VAL CG2 . 15540 1 1117 . 1 1 100 100 VAL N N 15 120.4 0.1 . 1 . . . . 98 VAL N . 15540 1 1118 . 1 1 101 101 LEU H H 1 7.804 0.01 . 1 . . . . 99 LEU H . 15540 1 1119 . 1 1 101 101 LEU HA H 1 3.974 0.01 . 1 . . . . 99 LEU HA . 15540 1 1120 . 1 1 101 101 LEU HB2 H 1 1.60 0.01 . 2 . . . . 99 LEU HB2 . 15540 1 1121 . 1 1 101 101 LEU HB3 H 1 1.60 0.01 . 2 . . . . 99 LEU HB3 . 15540 1 1122 . 1 1 101 101 LEU HD11 H 1 0.785 0.01 . 2 . . . . 99 LEU HD1 . 15540 1 1123 . 1 1 101 101 LEU HD12 H 1 0.785 0.01 . 2 . . . . 99 LEU HD1 . 15540 1 1124 . 1 1 101 101 LEU HD13 H 1 0.785 0.01 . 2 . . . . 99 LEU HD1 . 15540 1 1125 . 1 1 101 101 LEU HD21 H 1 0.785 0.01 . 2 . . . . 99 LEU HD2 . 15540 1 1126 . 1 1 101 101 LEU HD22 H 1 0.785 0.01 . 2 . . . . 99 LEU HD2 . 15540 1 1127 . 1 1 101 101 LEU HD23 H 1 0.785 0.01 . 2 . . . . 99 LEU HD2 . 15540 1 1128 . 1 1 101 101 LEU HG H 1 1.60 0.01 . 1 . . . . 99 LEU HG . 15540 1 1129 . 1 1 101 101 LEU C C 13 176.6 0.05 . 1 . . . . 99 LEU C . 15540 1 1130 . 1 1 101 101 LEU CA C 13 55.44 0.05 . 1 . . . . 99 LEU CA . 15540 1 1131 . 1 1 101 101 LEU CB C 13 38.72 0.05 . 1 . . . . 99 LEU CB . 15540 1 1132 . 1 1 101 101 LEU CD1 C 13 21.50 0.05 . 2 . . . . 99 LEU CD1 . 15540 1 1133 . 1 1 101 101 LEU CD2 C 13 21.50 0.05 . 2 . . . . 99 LEU CD2 . 15540 1 1134 . 1 1 101 101 LEU CG C 13 24.21 0.05 . 1 . . . . 99 LEU CG . 15540 1 1135 . 1 1 101 101 LEU N N 15 120.5 0.1 . 1 . . . . 99 LEU N . 15540 1 1136 . 1 1 102 102 LEU H H 1 7.517 0.01 . 1 . . . . 100 LEU H . 15540 1 1137 . 1 1 102 102 LEU HA H 1 3.954 0.01 . 1 . . . . 100 LEU HA . 15540 1 1138 . 1 1 102 102 LEU HB2 H 1 1.685 0.01 . 2 . . . . 100 LEU HB2 . 15540 1 1139 . 1 1 102 102 LEU HB3 H 1 1.476 0.01 . 2 . . . . 100 LEU HB3 . 15540 1 1140 . 1 1 102 102 LEU HD11 H 1 0.788 0.01 . 2 . . . . 100 LEU HD1 . 15540 1 1141 . 1 1 102 102 LEU HD12 H 1 0.788 0.01 . 2 . . . . 100 LEU HD1 . 15540 1 1142 . 1 1 102 102 LEU HD13 H 1 0.788 0.01 . 2 . . . . 100 LEU HD1 . 15540 1 1143 . 1 1 102 102 LEU HD21 H 1 0.788 0.01 . 2 . . . . 100 LEU HD2 . 15540 1 1144 . 1 1 102 102 LEU HD22 H 1 0.788 0.01 . 2 . . . . 100 LEU HD2 . 15540 1 1145 . 1 1 102 102 LEU HD23 H 1 0.788 0.01 . 2 . . . . 100 LEU HD2 . 15540 1 1146 . 1 1 102 102 LEU HG H 1 1.476 0.01 . 1 . . . . 100 LEU HG . 15540 1 1147 . 1 1 102 102 LEU C C 13 176.8 0.05 . 1 . . . . 100 LEU C . 15540 1 1148 . 1 1 102 102 LEU CA C 13 55.19 0.05 . 1 . . . . 100 LEU CA . 15540 1 1149 . 1 1 102 102 LEU CB C 13 39.10 0.05 . 1 . . . . 100 LEU CB . 15540 1 1150 . 1 1 102 102 LEU CD1 C 13 20.59 0.05 . 2 . . . . 100 LEU CD1 . 15540 1 1151 . 1 1 102 102 LEU CD2 C 13 20.59 0.05 . 2 . . . . 100 LEU CD2 . 15540 1 1152 . 1 1 102 102 LEU CG C 13 22.35 0.05 . 1 . . . . 100 LEU CG . 15540 1 1153 . 1 1 102 102 LEU N N 15 118 0.1 . 1 . . . . 100 LEU N . 15540 1 1154 . 1 1 103 103 TYR H H 1 7.389 0.01 . 1 . . . . 101 TYR H . 15540 1 1155 . 1 1 103 103 TYR HA H 1 4.211 0.01 . 1 . . . . 101 TYR HA . 15540 1 1156 . 1 1 103 103 TYR HB2 H 1 3.124 0.01 . 2 . . . . 101 TYR HB2 . 15540 1 1157 . 1 1 103 103 TYR HB3 H 1 2.931 0.01 . 2 . . . . 101 TYR HB3 . 15540 1 1158 . 1 1 103 103 TYR HD1 H 1 6.960 0.01 . 1 . . . . 101 TYR HD1 . 15540 1 1159 . 1 1 103 103 TYR HD2 H 1 6.960 0.01 . 1 . . . . 101 TYR HD2 . 15540 1 1160 . 1 1 103 103 TYR HE1 H 1 6.555 0.01 . 1 . . . . 101 TYR HE1 . 15540 1 1161 . 1 1 103 103 TYR HE2 H 1 6.555 0.01 . 1 . . . . 101 TYR HE2 . 15540 1 1162 . 1 1 103 103 TYR C C 13 175.3 0.05 . 1 . . . . 101 TYR C . 15540 1 1163 . 1 1 103 103 TYR CA C 13 58.02 0.05 . 1 . . . . 101 TYR CA . 15540 1 1164 . 1 1 103 103 TYR CB C 13 35.27 0.05 . 1 . . . . 101 TYR CB . 15540 1 1165 . 1 1 103 103 TYR N N 15 120 0.1 . 1 . . . . 101 TYR N . 15540 1 1166 . 1 1 104 104 GLN H H 1 8.41 0.01 . 1 . . . . 102 GLN H . 15540 1 1167 . 1 1 104 104 GLN HA H 1 3.681 0.01 . 1 . . . . 102 GLN HA . 15540 1 1168 . 1 1 104 104 GLN HB2 H 1 2.191 0.01 . 2 . . . . 102 GLN HB2 . 15540 1 1169 . 1 1 104 104 GLN HB3 H 1 2.026 0.01 . 2 . . . . 102 GLN HB3 . 15540 1 1170 . 1 1 104 104 GLN HG2 H 1 2.549 0.01 . 2 . . . . 102 GLN HG2 . 15540 1 1171 . 1 1 104 104 GLN HG3 H 1 2.384 0.01 . 2 . . . . 102 GLN HG3 . 15540 1 1172 . 1 1 104 104 GLN C C 13 175.6 0.05 . 1 . . . . 102 GLN C . 15540 1 1173 . 1 1 104 104 GLN CA C 13 55.44 0.05 . 1 . . . . 102 GLN CA . 15540 1 1174 . 1 1 104 104 GLN CB C 13 26.15 0.05 . 1 . . . . 102 GLN CB . 15540 1 1175 . 1 1 104 104 GLN CG C 13 31.60 0.05 . 1 . . . . 102 GLN CG . 15540 1 1176 . 1 1 104 104 GLN N N 15 119.2 0.1 . 1 . . . . 102 GLN N . 15540 1 1177 . 1 1 105 105 GLN H H 1 7.94 0.01 . 1 . . . . 103 GLN H . 15540 1 1178 . 1 1 105 105 GLN HA H 1 4.039 0.01 . 1 . . . . 103 GLN HA . 15540 1 1179 . 1 1 105 105 GLN HB2 H 1 2.061 0.01 . 2 . . . . 103 GLN HB2 . 15540 1 1180 . 1 1 105 105 GLN HB3 H 1 2.061 0.01 . 2 . . . . 103 GLN HB3 . 15540 1 1181 . 1 1 105 105 GLN HG2 H 1 2.422 0.01 . 2 . . . . 103 GLN HG2 . 15540 1 1182 . 1 1 105 105 GLN HG3 H 1 2.345 0.01 . 2 . . . . 103 GLN HG3 . 15540 1 1183 . 1 1 105 105 GLN C C 13 174.0 0.05 . 1 . . . . 103 GLN C . 15540 1 1184 . 1 1 105 105 GLN CA C 13 54.51 0.05 . 1 . . . . 103 GLN CA . 15540 1 1185 . 1 1 105 105 GLN CB C 13 26.07 0.05 . 1 . . . . 103 GLN CB . 15540 1 1186 . 1 1 105 105 GLN CG C 13 31.34 0.05 . 1 . . . . 103 GLN CG . 15540 1 1187 . 1 1 105 105 GLN N N 15 116.8 0.1 . 1 . . . . 103 GLN N . 15540 1 1188 . 1 1 106 106 GLN H H 1 7.422 0.01 . 1 . . . . 104 GLN H . 15540 1 1189 . 1 1 106 106 GLN HA H 1 4.175 0.01 . 1 . . . . 104 GLN HA . 15540 1 1190 . 1 1 106 106 GLN HB2 H 1 2.039 0.01 . 2 . . . . 104 GLN HB2 . 15540 1 1191 . 1 1 106 106 GLN HB3 H 1 1.91 0.01 . 2 . . . . 104 GLN HB3 . 15540 1 1192 . 1 1 106 106 GLN HG2 H 1 2.344 0.01 . 2 . . . . 104 GLN HG2 . 15540 1 1193 . 1 1 106 106 GLN HG3 H 1 2.344 0.01 . 2 . . . . 104 GLN HG3 . 15540 1 1194 . 1 1 106 106 GLN C C 13 173.2 0.05 . 1 . . . . 104 GLN C . 15540 1 1195 . 1 1 106 106 GLN CA C 13 53.05 0.05 . 1 . . . . 104 GLN CA . 15540 1 1196 . 1 1 106 106 GLN CB C 13 26.34 0.05 . 1 . . . . 104 GLN CB . 15540 1 1197 . 1 1 106 106 GLN CG C 13 31.11 0.05 . 1 . . . . 104 GLN CG . 15540 1 1198 . 1 1 106 106 GLN N N 15 117.1 0.1 . 1 . . . . 104 GLN N . 15540 1 1199 . 1 1 107 107 GLN H H 1 7.591 0.01 . 1 . . . . 105 GLN H . 15540 1 1200 . 1 1 107 107 GLN HA H 1 4.350 0.01 . 1 . . . . 105 GLN HA . 15540 1 1201 . 1 1 107 107 GLN HB2 H 1 2.135 0.01 . 2 . . . . 105 GLN HB2 . 15540 1 1202 . 1 1 107 107 GLN HB3 H 1 1.926 0.01 . 2 . . . . 105 GLN HB3 . 15540 1 1203 . 1 1 107 107 GLN HG2 H 1 1.744 0.01 . 2 . . . . 105 GLN HG2 . 15540 1 1204 . 1 1 107 107 GLN HG3 H 1 1.744 0.01 . 2 . . . . 105 GLN HG3 . 15540 1 1205 . 1 1 107 107 GLN C C 13 171.0 0.05 . 1 . . . . 105 GLN C . 15540 1 1206 . 1 1 107 107 GLN CA C 13 50.77 0.05 . 1 . . . . 105 GLN CA . 15540 1 1207 . 1 1 107 107 GLN CB C 13 25.4 0.05 . 1 . . . . 105 GLN CB . 15540 1 1208 . 1 1 107 107 GLN N N 15 120.3 0.1 . 1 . . . . 105 GLN N . 15540 1 1209 . 1 1 108 108 PRO HA H 1 4.296 0.01 . 1 . . . . 106 PRO HA . 15540 1 1210 . 1 1 108 108 PRO HB2 H 1 2.198 0.01 . 2 . . . . 106 PRO HB2 . 15540 1 1211 . 1 1 108 108 PRO HB3 H 1 1.774 0.01 . 2 . . . . 106 PRO HB3 . 15540 1 1212 . 1 1 108 108 PRO HD2 H 1 3.516 0.01 . 2 . . . . 106 PRO HD2 . 15540 1 1213 . 1 1 108 108 PRO HD3 H 1 3.599 0.01 . 2 . . . . 106 PRO HD3 . 15540 1 1214 . 1 1 108 108 PRO HG2 H 1 1.912 0.01 . 2 . . . . 106 PRO HG2 . 15540 1 1215 . 1 1 108 108 PRO HG3 H 1 1.912 0.01 . 2 . . . . 106 PRO HG3 . 15540 1 1216 . 1 1 108 108 PRO C C 13 174.3 0.05 . 1 . . . . 106 PRO C . 15540 1 1217 . 1 1 108 108 PRO CA C 13 60.51 0.05 . 1 . . . . 106 PRO CA . 15540 1 1218 . 1 1 108 108 PRO CB C 13 29.32 0.05 . 1 . . . . 106 PRO CB . 15540 1 1219 . 1 1 108 108 PRO CD C 13 47.75 0.05 . 1 . . . . 106 PRO CD . 15540 1 1220 . 1 1 108 108 PRO CG C 13 24.67 0.05 . 1 . . . . 106 PRO CG . 15540 1 1221 . 1 1 109 109 MET H H 1 8.382 0.01 . 1 . . . . 107 MET H . 15540 1 1222 . 1 1 109 109 MET HA H 1 4.365 0.01 . 1 . . . . 107 MET HA . 15540 1 1223 . 1 1 109 109 MET HB2 H 1 2.497 0.01 . 2 . . . . 107 MET HB2 . 15540 1 1224 . 1 1 109 109 MET HB3 H 1 1.951 0.01 . 2 . . . . 107 MET HB3 . 15540 1 1225 . 1 1 109 109 MET C C 13 173.2 0.05 . 1 . . . . 107 MET C . 15540 1 1226 . 1 1 109 109 MET CA C 13 52.72 0.05 . 1 . . . . 107 MET CA . 15540 1 1227 . 1 1 109 109 MET CB C 13 30.21 0.05 . 1 . . . . 107 MET CB . 15540 1 1228 . 1 1 109 109 MET CE C 13 16.81 0.05 . 1 . . . . 107 MET CE . 15540 1 1229 . 1 1 109 109 MET CG C 13 33.94 0.05 . 1 . . . . 107 MET CG . 15540 1 1230 . 1 1 109 109 MET N N 15 120.6 0.1 . 1 . . . . 107 MET N . 15540 1 1231 . 1 1 110 110 ASN H H 1 8.35 0.01 . 1 . . . . 108 ASN H . 15540 1 1232 . 1 1 110 110 ASN HA H 1 4.637 0.01 . 1 . . . . 108 ASN HA . 15540 1 1233 . 1 1 110 110 ASN HB2 H 1 2.745 0.01 . 2 . . . . 108 ASN HB2 . 15540 1 1234 . 1 1 110 110 ASN HB3 H 1 2.639 0.01 . 2 . . . . 108 ASN HB3 . 15540 1 1235 . 1 1 110 110 ASN C C 13 171.3 0.05 . 1 . . . . 108 ASN C . 15540 1 1236 . 1 1 110 110 ASN CA C 13 50.66 0.05 . 1 . . . . 108 ASN CA . 15540 1 1237 . 1 1 110 110 ASN CB C 13 36.46 0.05 . 1 . . . . 108 ASN CB . 15540 1 1238 . 1 1 110 110 ASN CG C 13 27.61 0.05 . 1 . . . . 108 ASN CG . 15540 1 1239 . 1 1 110 110 ASN N N 15 120.6 0.1 . 1 . . . . 108 ASN N . 15540 1 1240 . 1 1 111 111 GLU H H 1 7.857 0.01 . 1 . . . . 109 GLU H . 15540 1 1241 . 1 1 111 111 GLU HA H 1 4.068 0.01 . 1 . . . . 109 GLU HA . 15540 1 1242 . 1 1 111 111 GLU HB2 H 1 1.954 0.01 . 2 . . . . 109 GLU HB2 . 15540 1 1243 . 1 1 111 111 GLU HB3 H 1 1.774 0.01 . 2 . . . . 109 GLU HB3 . 15540 1 1244 . 1 1 111 111 GLU HG2 H 1 2.076 0.01 . 2 . . . . 109 GLU HG2 . 15540 1 1245 . 1 1 111 111 GLU HG3 H 1 2.076 0.01 . 2 . . . . 109 GLU HG3 . 15540 1 1246 . 1 1 111 111 GLU C C 13 172.4 0.05 . 1 . . . . 109 GLU C . 15540 1 1247 . 1 1 111 111 GLU CA C 13 55.31 0.05 . 1 . . . . 109 GLU CA . 15540 1 1248 . 1 1 111 111 GLU CB C 13 24.83 0.05 . 1 . . . . 109 GLU CB . 15540 1 1249 . 1 1 111 111 GLU N N 15 125.9 0.1 . 1 . . . . 109 GLU N . 15540 1 stop_ save_