data_6806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6806 _Entry.Title ; Letter to the Editor: NMR assignments of the free and bound-state components of an anti-idiotypic affibody complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-01 _Entry.Accession_date 2005-09-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jakob Dogan . . . 6806 2 Christofer Lendel . . . 6806 3 Torleif Hard . . . 6806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 6806 '15N chemical shifts' 134 6806 '1H chemical shifts' 855 6806 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 . . 2007-02-07 2005-09-01 update author 'complete entry citation' 6806 2 . . 2006-04-20 2005-09-01 update author 'update the protein names, etc.' 6806 1 . . 2006-03-10 2005-09-01 original author 'original release' 6806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2B87 'BMRB Entry Tracking System' 6806 BMRB 6804 Ztaq 6806 BMRB 6805 anti-Ztaq 6806 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6806 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16456703 _Citation.Full_citation . _Citation.Title ; NMR Assignments of the Free and Bound-state Protein Components of an Anti-idiotypic Affibody Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 13 _Citation.Page_last 13 _Citation.Year 2006 _Citation.Details 'The first and second authors contributed equally to this publication' 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 Jakob Dogan . . . 6806 1 2 Christofer Lendel . . . 6806 1 3 Torleif Hard . . . 6806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6806 _Assembly.ID 1 _Assembly.Name Ztaq:anti-Ztaq _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12903.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'anti-Ztaq in complex with Ztaq' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 6806 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ztaq 1 $Ztaq . . yes native yes no . . . 6806 1 2 anti-Ztaq 2 $anti-Ztaq . . yes native yes no . . . 6806 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'anti-idiotypic affibody complex' 6806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ztaq _Entity.Sf_category entity _Entity.Sf_framecode Ztaq _Entity.Entry_ID 6806 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ztaq _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 ; VDNKFNKELGWATWEIFNLP NLNGVQVKAFIDSLRDDPSQ SANLLAEAKKLNDAQAPK ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6484.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6805 . anti-Ztaq . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6806 1 2 no PDB 2B87 . "Structural Basis For Molecular Recognition In An Affibody:affibody Complex" . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6806 1 3 no PDB 2B89 . "Structural Basis For Molecular Recognition In An Affibody:affibody Complex" . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6806 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 . VAL . 6806 1 2 . ASP . 6806 1 3 . ASN . 6806 1 4 . LYS . 6806 1 5 . PHE . 6806 1 6 . ASN . 6806 1 7 . LYS . 6806 1 8 . GLU . 6806 1 9 . LEU . 6806 1 10 . GLY . 6806 1 11 . TRP . 6806 1 12 . ALA . 6806 1 13 . THR . 6806 1 14 . TRP . 6806 1 15 . GLU . 6806 1 16 . ILE . 6806 1 17 . PHE . 6806 1 18 . ASN . 6806 1 19 . LEU . 6806 1 20 . PRO . 6806 1 21 . ASN . 6806 1 22 . LEU . 6806 1 23 . ASN . 6806 1 24 . GLY . 6806 1 25 . VAL . 6806 1 26 . GLN . 6806 1 27 . VAL . 6806 1 28 . LYS . 6806 1 29 . ALA . 6806 1 30 . PHE . 6806 1 31 . ILE . 6806 1 32 . ASP . 6806 1 33 . SER . 6806 1 34 . LEU . 6806 1 35 . ARG . 6806 1 36 . ASP . 6806 1 37 . ASP . 6806 1 38 . PRO . 6806 1 39 . SER . 6806 1 40 . GLN . 6806 1 41 . SER . 6806 1 42 . ALA . 6806 1 43 . ASN . 6806 1 44 . LEU . 6806 1 45 . LEU . 6806 1 46 . ALA . 6806 1 47 . GLU . 6806 1 48 . ALA . 6806 1 49 . LYS . 6806 1 50 . LYS . 6806 1 51 . LEU . 6806 1 52 . ASN . 6806 1 53 . ASP . 6806 1 54 . ALA . 6806 1 55 . GLN . 6806 1 56 . ALA . 6806 1 57 . PRO . 6806 1 58 . LYS . 6806 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 . VAL 1 1 6806 1 . ASP 2 2 6806 1 . ASN 3 3 6806 1 . LYS 4 4 6806 1 . PHE 5 5 6806 1 . ASN 6 6 6806 1 . LYS 7 7 6806 1 . GLU 8 8 6806 1 . LEU 9 9 6806 1 . GLY 10 10 6806 1 . TRP 11 11 6806 1 . ALA 12 12 6806 1 . THR 13 13 6806 1 . TRP 14 14 6806 1 . GLU 15 15 6806 1 . ILE 16 16 6806 1 . PHE 17 17 6806 1 . ASN 18 18 6806 1 . LEU 19 19 6806 1 . PRO 20 20 6806 1 . ASN 21 21 6806 1 . LEU 22 22 6806 1 . ASN 23 23 6806 1 . GLY 24 24 6806 1 . VAL 25 25 6806 1 . GLN 26 26 6806 1 . VAL 27 27 6806 1 . LYS 28 28 6806 1 . ALA 29 29 6806 1 . PHE 30 30 6806 1 . ILE 31 31 6806 1 . ASP 32 32 6806 1 . SER 33 33 6806 1 . LEU 34 34 6806 1 . ARG 35 35 6806 1 . ASP 36 36 6806 1 . ASP 37 37 6806 1 . PRO 38 38 6806 1 . SER 39 39 6806 1 . GLN 40 40 6806 1 . SER 41 41 6806 1 . ALA 42 42 6806 1 . ASN 43 43 6806 1 . LEU 44 44 6806 1 . LEU 45 45 6806 1 . ALA 46 46 6806 1 . GLU 47 47 6806 1 . ALA 48 48 6806 1 . LYS 49 49 6806 1 . LYS 50 50 6806 1 . LEU 51 51 6806 1 . ASN 52 52 6806 1 . ASP 53 53 6806 1 . ALA 54 54 6806 1 . GLN 55 55 6806 1 . ALA 56 56 6806 1 . PRO 57 57 6806 1 . LYS 58 58 6806 1 stop_ save_ save_anti-Ztaq _Entity.Sf_category entity _Entity.Sf_framecode anti-Ztaq _Entity.Entry_ID 6806 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name anti-Ztaq _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 ; VDNKFNKERVIAIGEIMRLP NLNSLQVVAFINSLRDDPSQ SANLLAEAKKLNDAQAPK ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6419.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . VAL . 6806 2 2 . ASP . 6806 2 3 . ASN . 6806 2 4 . LYS . 6806 2 5 . PHE . 6806 2 6 . ASN . 6806 2 7 . LYS . 6806 2 8 . GLU . 6806 2 9 . ARG . 6806 2 10 . VAL . 6806 2 11 . ILE . 6806 2 12 . ALA . 6806 2 13 . ILE . 6806 2 14 . GLY . 6806 2 15 . GLU . 6806 2 16 . ILE . 6806 2 17 . MET . 6806 2 18 . ARG . 6806 2 19 . LEU . 6806 2 20 . PRO . 6806 2 21 . ASN . 6806 2 22 . LEU . 6806 2 23 . ASN . 6806 2 24 . SER . 6806 2 25 . LEU . 6806 2 26 . GLN . 6806 2 27 . VAL . 6806 2 28 . VAL . 6806 2 29 . ALA . 6806 2 30 . PHE . 6806 2 31 . ILE . 6806 2 32 . ASN . 6806 2 33 . SER . 6806 2 34 . LEU . 6806 2 35 . ARG . 6806 2 36 . ASP . 6806 2 37 . ASP . 6806 2 38 . PRO . 6806 2 39 . SER . 6806 2 40 . GLN . 6806 2 41 . SER . 6806 2 42 . ALA . 6806 2 43 . ASN . 6806 2 44 . LEU . 6806 2 45 . LEU . 6806 2 46 . ALA . 6806 2 47 . GLU . 6806 2 48 . ALA . 6806 2 49 . LYS . 6806 2 50 . LYS . 6806 2 51 . LEU . 6806 2 52 . ASN . 6806 2 53 . ASP . 6806 2 54 . ALA . 6806 2 55 . GLN . 6806 2 56 . ALA . 6806 2 57 . PRO . 6806 2 58 . LYS . 6806 2 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 . VAL 1 1 6806 2 . ASP 2 2 6806 2 . ASN 3 3 6806 2 . LYS 4 4 6806 2 . PHE 5 5 6806 2 . ASN 6 6 6806 2 . LYS 7 7 6806 2 . GLU 8 8 6806 2 . ARG 9 9 6806 2 . VAL 10 10 6806 2 . ILE 11 11 6806 2 . ALA 12 12 6806 2 . ILE 13 13 6806 2 . GLY 14 14 6806 2 . GLU 15 15 6806 2 . ILE 16 16 6806 2 . MET 17 17 6806 2 . ARG 18 18 6806 2 . LEU 19 19 6806 2 . PRO 20 20 6806 2 . ASN 21 21 6806 2 . LEU 22 22 6806 2 . ASN 23 23 6806 2 . SER 24 24 6806 2 . LEU 25 25 6806 2 . GLN 26 26 6806 2 . VAL 27 27 6806 2 . VAL 28 28 6806 2 . ALA 29 29 6806 2 . PHE 30 30 6806 2 . ILE 31 31 6806 2 . ASN 32 32 6806 2 . SER 33 33 6806 2 . LEU 34 34 6806 2 . ARG 35 35 6806 2 . ASP 36 36 6806 2 . ASP 37 37 6806 2 . PRO 38 38 6806 2 . SER 39 39 6806 2 . GLN 40 40 6806 2 . SER 41 41 6806 2 . ALA 42 42 6806 2 . ASN 43 43 6806 2 . LEU 44 44 6806 2 . LEU 45 45 6806 2 . ALA 46 46 6806 2 . GLU 47 47 6806 2 . ALA 48 48 6806 2 . LYS 49 49 6806 2 . LYS 50 50 6806 2 . LEU 51 51 6806 2 . ASN 52 52 6806 2 . ASP 53 53 6806 2 . ALA 54 54 6806 2 . GLN 55 55 6806 2 . ALA 56 56 6806 2 . PRO 57 57 6806 2 . LYS 58 58 6806 2 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 6806 _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 $Ztaq . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . 'It is an engineered protein based on Staphylocoocal protein A.' . . 6806 1 2 2 $anti-Ztaq . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . 'It is an engineered protein based on Staphylocoocal protein A.' . . 6806 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 6806 _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 $Ztaq . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 2 2 $anti-Ztaq . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6806 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled anti-Ztaq in complex with unlabelled Ztaq' _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 Ztaq . . . 1 $Ztaq . protein 2.0 . . mM . . . . 6806 1 2 anti-Ztaq '[U-13C; U-15N]' . . 2 $anti-Ztaq . protein 1.5 . . mM . . . . 6806 1 3 'Potassium Phosphate' . . . . . . buffer 20 . . mM . . . . 6806 1 4 'Sodium Chloride' . . . . . . salt 50 . . mM . . . . 6806 1 5 'Sodium Azide' . . . . . . . 0.01 . . % . . . . 6806 1 6 D2O . . . . . . . 10 . 100 '% v/v' . . . . 6806 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6806 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Ztaq in complex with unlabelled anti-Ztaq' _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 Ztaq '[U-13C; U-15N]' . . 1 $Ztaq . protein 1.3 1.2 1.4 mM . . . . 6806 2 2 anti-Ztaq . . . 2 $anti-Ztaq . protein 1.6 . 1.9 mM . . . . 6806 2 3 'Potassium Phosphate' . . . . . . buffer 20 . . mM . . . . 6806 2 4 'Sodium Chloride' . . . . . . salt 50 . . mM . . . . 6806 2 5 'Sodium Azide' . . . . . . . 0.01 . . % . . . . 6806 2 6 D2O . . . . . . . 10 . 100 '% v/v' . . . . 6806 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6806 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM KPi, 50mM NaCl, 10 vol% D2O, pH=6.4, 0.01% NaN3, T=298K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.4 0.1 pH 6806 1 pressure 1 0 atm 6806 1 temperature 298 0.1 K 6806 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG_for_WINDOWS _Software.Sf_category software _Software.Sf_framecode ANSIG_for_WINDOWS _Software.Entry_ID 6806 _Software.ID 1 _Software.Name 'ANSIG for WINDOWS' _Software.Version . _Software.Details 'Data analysis and assignment' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6806 1 'Data analysis' 6806 1 stop_ save_ save_BRUKER_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode BRUKER_XWIN-NMR _Software.Entry_ID 6806 _Software.ID 2 _Software.Name XWIN-NMR _Software.Version . _Software.Details processing loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6806 2 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6806 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details processing loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6806 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 6806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 6806 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 6806 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6806 _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 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 2 '1H-13C HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 3 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 4 CBCANH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 5 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 6 HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 7 HCCH-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 9 (H)CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 10 '15N-NOESY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 11 '15N-TOCSY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 12 '13C-NOESY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6806 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6806 1 H 1 H2O protons . . . . ppm 4.753 internal direct 1.0 . . . . . . . . . 6806 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6806 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6806 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6806 1 . . 2 $sample_2 isotropic 6806 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.74 0.005 . 1 . . . . 1 VAL HA . 6806 1 2 . 1 1 1 1 VAL HB H 1 2.15 0.005 . 1 . . . . 1 VAL HB . 6806 1 3 . 1 1 1 1 VAL HG11 H 1 0.97 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 4 . 1 1 1 1 VAL HG12 H 1 0.97 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 5 . 1 1 1 1 VAL HG13 H 1 0.97 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 6 . 1 1 1 1 VAL HG21 H 1 0.98 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 7 . 1 1 1 1 VAL HG22 H 1 0.98 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 8 . 1 1 1 1 VAL HG23 H 1 0.98 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 9 . 1 1 1 1 VAL CA C 13 61.2 0.05 . 1 . . . . 1 VAL CA . 6806 1 10 . 1 1 1 1 VAL CB C 13 32.9 0.05 . 1 . . . . 1 VAL CB . 6806 1 11 . 1 1 1 1 VAL CG1 C 13 20.5 0.05 . 1 . . . . 1 VAL CG1 . 6806 1 12 . 1 1 1 1 VAL CG2 C 13 19.8 0.05 . 1 . . . . 1 VAL CG2 . 6806 1 13 . 1 1 2 2 ASP HA H 1 4.67 0.005 . 1 . . . . 2 ASP HA . 6806 1 14 . 1 1 2 2 ASP HB2 H 1 2.72 0.005 . 2 . . . . 2 ASP HB2 . 6806 1 15 . 1 1 2 2 ASP HB3 H 1 2.64 0.005 . 2 . . . . 2 ASP HB3 . 6806 1 16 . 1 1 2 2 ASP C C 13 175.7 0.05 . 1 . . . . 2 ASP C . 6806 1 17 . 1 1 2 2 ASP CA C 13 54.1 0.05 . 1 . . . . 2 ASP CA . 6806 1 18 . 1 1 2 2 ASP CB C 13 41.5 0.05 . 1 . . . . 2 ASP CB . 6806 1 19 . 1 1 3 3 ASN H H 1 8.54 0.005 . 1 . . . . 3 ASN H . 6806 1 20 . 1 1 3 3 ASN HA H 1 4.69 0.005 . 1 . . . . 3 ASN HA . 6806 1 21 . 1 1 3 3 ASN HB2 H 1 2.82 0.005 . 1 . . . . 3 ASN HB2 . 6806 1 22 . 1 1 3 3 ASN HB3 H 1 2.82 0.005 . 1 . . . . 3 ASN HB3 . 6806 1 23 . 1 1 3 3 ASN HD21 H 1 7.66 0.005 . 2 . . . . 3 ASN HD21 . 6806 1 24 . 1 1 3 3 ASN HD22 H 1 6.90 0.005 . 2 . . . . 3 ASN HD22 . 6806 1 25 . 1 1 3 3 ASN C C 13 176.0 0.05 . 1 . . . . 3 ASN C . 6806 1 26 . 1 1 3 3 ASN CA C 13 53.7 0.05 . 1 . . . . 3 ASN CA . 6806 1 27 . 1 1 3 3 ASN CB C 13 38.8 0.05 . 1 . . . . 3 ASN CB . 6806 1 28 . 1 1 3 3 ASN N N 15 121.6 0.05 . 1 . . . . 3 ASN N . 6806 1 29 . 1 1 3 3 ASN ND2 N 15 113.4 0.05 . 1 . . . . 3 ASN ND2 . 6806 1 30 . 1 1 4 4 LYS H H 1 8.41 0.005 . 1 . . . . 4 LYS H . 6806 1 31 . 1 1 4 4 LYS HA H 1 4.02 0.005 . 1 . . . . 4 LYS HA . 6806 1 32 . 1 1 4 4 LYS HB2 H 1 1.79 0.005 . 2 . . . . 4 LYS HB2 . 6806 1 33 . 1 1 4 4 LYS HB3 H 1 1.72 0.005 . 2 . . . . 4 LYS HB3 . 6806 1 34 . 1 1 4 4 LYS HG2 H 1 1.26 0.005 . 1 . . . . 4 LYS HG2 . 6806 1 35 . 1 1 4 4 LYS HG3 H 1 1.26 0.005 . 1 . . . . 4 LYS HG3 . 6806 1 36 . 1 1 4 4 LYS HD2 H 1 1.60 0.005 . 1 . . . . 4 LYS HD2 . 6806 1 37 . 1 1 4 4 LYS HD3 H 1 1.60 0.005 . 1 . . . . 4 LYS HD3 . 6806 1 38 . 1 1 4 4 LYS HE2 H 1 2.91 0.005 . 1 . . . . 4 LYS HE2 . 6806 1 39 . 1 1 4 4 LYS HE3 H 1 2.91 0.005 . 1 . . . . 4 LYS HE3 . 6806 1 40 . 1 1 4 4 LYS C C 13 177.4 0.05 . 1 . . . . 4 LYS C . 6806 1 41 . 1 1 4 4 LYS CA C 13 58.9 0.05 . 1 . . . . 4 LYS CA . 6806 1 42 . 1 1 4 4 LYS CB C 13 32.4 0.05 . 1 . . . . 4 LYS CB . 6806 1 43 . 1 1 4 4 LYS CG C 13 24.6 0.05 . 1 . . . . 4 LYS CG . 6806 1 44 . 1 1 4 4 LYS CD C 13 29.3 0.05 . 1 . . . . 4 LYS CD . 6806 1 45 . 1 1 4 4 LYS CE C 13 42 0.05 . 1 . . . . 4 LYS CE . 6806 1 46 . 1 1 4 4 LYS N N 15 123.3 0.05 . 1 . . . . 4 LYS N . 6806 1 47 . 1 1 5 5 PHE H H 1 8.13 0.005 . 1 . . . . 5 PHE H . 6806 1 48 . 1 1 5 5 PHE HA H 1 4.45 0.005 . 1 . . . . 5 PHE HA . 6806 1 49 . 1 1 5 5 PHE HB2 H 1 3.13 0.005 . 2 . . . . 5 PHE HB2 . 6806 1 50 . 1 1 5 5 PHE HB3 H 1 3.08 0.005 . 2 . . . . 5 PHE HB3 . 6806 1 51 . 1 1 5 5 PHE HD1 H 1 7.27 0.005 . 1 . . . . 5 PHE HD1 . 6806 1 52 . 1 1 5 5 PHE HD2 H 1 7.27 0.005 . 1 . . . . 5 PHE HD2 . 6806 1 53 . 1 1 5 5 PHE C C 13 177.2 0.05 . 1 . . . . 5 PHE C . 6806 1 54 . 1 1 5 5 PHE CA C 13 59.6 0.05 . 1 . . . . 5 PHE CA . 6806 1 55 . 1 1 5 5 PHE CB C 13 38.9 0.05 . 1 . . . . 5 PHE CB . 6806 1 56 . 1 1 5 5 PHE N N 15 120.1 0.05 . 1 . . . . 5 PHE N . 6806 1 57 . 1 1 6 6 ASN H H 1 8.16 0.005 . 1 . . . . 6 ASN H . 6806 1 58 . 1 1 6 6 ASN HA H 1 4.41 0.005 . 1 . . . . 6 ASN HA . 6806 1 59 . 1 1 6 6 ASN HB2 H 1 2.74 0.005 . 1 . . . . 6 ASN HB2 . 6806 1 60 . 1 1 6 6 ASN HB3 H 1 2.74 0.005 . 1 . . . . 6 ASN HB3 . 6806 1 61 . 1 1 6 6 ASN HD21 H 1 7.66 0.005 . 2 . . . . 6 ASN HD21 . 6806 1 62 . 1 1 6 6 ASN HD22 H 1 6.92 0.005 . 2 . . . . 6 ASN HD22 . 6806 1 63 . 1 1 6 6 ASN C C 13 177.2 0.05 . 1 . . . . 6 ASN C . 6806 1 64 . 1 1 6 6 ASN CA C 13 55.5 0.05 . 1 . . . . 6 ASN CA . 6806 1 65 . 1 1 6 6 ASN CB C 13 37.8 0.05 . 1 . . . . 6 ASN CB . 6806 1 66 . 1 1 6 6 ASN N N 15 119.4 0.05 . 1 . . . . 6 ASN N . 6806 1 67 . 1 1 6 6 ASN ND2 N 15 111.3 0.05 . 1 . . . . 6 ASN ND2 . 6806 1 68 . 1 1 7 7 LYS H H 1 8.21 0.005 . 1 . . . . 7 LYS H . 6806 1 69 . 1 1 7 7 LYS HA H 1 3.94 0.005 . 1 . . . . 7 LYS HA . 6806 1 70 . 1 1 7 7 LYS HB2 H 1 1.87 0.005 . 1 . . . . 7 LYS HB2 . 6806 1 71 . 1 1 7 7 LYS HB3 H 1 1.87 0.005 . 1 . . . . 7 LYS HB3 . 6806 1 72 . 1 1 7 7 LYS HG2 H 1 1.46 0.005 . 2 . . . . 7 LYS HG2 . 6806 1 73 . 1 1 7 7 LYS HG3 H 1 1.38 0.005 . 2 . . . . 7 LYS HG3 . 6806 1 74 . 1 1 7 7 LYS HD2 H 1 1.66 0.005 . 1 . . . . 7 LYS HD2 . 6806 1 75 . 1 1 7 7 LYS HD3 H 1 1.66 0.005 . 1 . . . . 7 LYS HD3 . 6806 1 76 . 1 1 7 7 LYS HE2 H 1 2.89 0.005 . 1 . . . . 7 LYS HE2 . 6806 1 77 . 1 1 7 7 LYS HE3 H 1 2.89 0.005 . 1 . . . . 7 LYS HE3 . 6806 1 78 . 1 1 7 7 LYS C C 13 177.7 0.05 . 1 . . . . 7 LYS C . 6806 1 79 . 1 1 7 7 LYS CA C 13 59.6 0.05 . 1 . . . . 7 LYS CA . 6806 1 80 . 1 1 7 7 LYS CB C 13 32.1 0.05 . 1 . . . . 7 LYS CB . 6806 1 81 . 1 1 7 7 LYS CG C 13 25.1 0.05 . 1 . . . . 7 LYS CG . 6806 1 82 . 1 1 7 7 LYS CD C 13 29.3 0.05 . 1 . . . . 7 LYS CD . 6806 1 83 . 1 1 7 7 LYS CE C 13 41.9 0.05 . 1 . . . . 7 LYS CE . 6806 1 84 . 1 1 7 7 LYS N N 15 121.7 0.05 . 1 . . . . 7 LYS N . 6806 1 85 . 1 1 8 8 GLU H H 1 8.25 0.005 . 1 . . . . 8 GLU H . 6806 1 86 . 1 1 8 8 GLU HA H 1 4.20 0.005 . 1 . . . . 8 GLU HA . 6806 1 87 . 1 1 8 8 GLU HB2 H 1 2.12 0.005 . 1 . . . . 8 GLU HB2 . 6806 1 88 . 1 1 8 8 GLU HB3 H 1 2.12 0.005 . 1 . . . . 8 GLU HB3 . 6806 1 89 . 1 1 8 8 GLU HG2 H 1 2.42 0.005 . 2 . . . . 8 GLU HG2 . 6806 1 90 . 1 1 8 8 GLU HG3 H 1 2.33 0.005 . 2 . . . . 8 GLU HG3 . 6806 1 91 . 1 1 8 8 GLU C C 13 179.0 0.05 . 1 . . . . 8 GLU C . 6806 1 92 . 1 1 8 8 GLU CA C 13 59.3 0.05 . 1 . . . . 8 GLU CA . 6806 1 93 . 1 1 8 8 GLU CB C 13 29.4 0.05 . 1 . . . . 8 GLU CB . 6806 1 94 . 1 1 8 8 GLU CG C 13 36.7 0.05 . 1 . . . . 8 GLU CG . 6806 1 95 . 1 1 8 8 GLU N N 15 120.4 0.05 . 1 . . . . 8 GLU N . 6806 1 96 . 1 1 9 9 LEU H H 1 8.13 0.005 . 1 . . . . 9 LEU H . 6806 1 97 . 1 1 9 9 LEU HA H 1 4.28 0.005 . 1 . . . . 9 LEU HA . 6806 1 98 . 1 1 9 9 LEU HB2 H 1 1.92 0.005 . 2 . . . . 9 LEU HB2 . 6806 1 99 . 1 1 9 9 LEU HB3 H 1 1.55 0.005 . 2 . . . . 9 LEU HB3 . 6806 1 100 . 1 1 9 9 LEU HG H 1 1.38 0.005 . 1 . . . . 9 LEU HG . 6806 1 101 . 1 1 9 9 LEU HD11 H 1 0.97 0.005 . 1 . . . . 9 LEU HD1 . 6806 1 102 . 1 1 9 9 LEU HD12 H 1 0.97 0.005 . 1 . . . . 9 LEU HD1 . 6806 1 103 . 1 1 9 9 LEU HD13 H 1 0.97 0.005 . 1 . . . . 9 LEU HD1 . 6806 1 104 . 1 1 9 9 LEU HD21 H 1 0.97 0.005 . 1 . . . . 9 LEU HD2 . 6806 1 105 . 1 1 9 9 LEU HD22 H 1 0.97 0.005 . 1 . . . . 9 LEU HD2 . 6806 1 106 . 1 1 9 9 LEU HD23 H 1 0.97 0.005 . 1 . . . . 9 LEU HD2 . 6806 1 107 . 1 1 9 9 LEU C C 13 180.3 0.05 . 1 . . . . 9 LEU C . 6806 1 108 . 1 1 9 9 LEU CA C 13 57.9 0.05 . 1 . . . . 9 LEU CA . 6806 1 109 . 1 1 9 9 LEU CB C 13 42.3 0.05 . 1 . . . . 9 LEU CB . 6806 1 110 . 1 1 9 9 LEU CG C 13 26.9 0.05 . 1 . . . . 9 LEU CG . 6806 1 111 . 1 1 9 9 LEU CD1 C 13 23.8 0.05 . 1 . . . . 9 LEU CD1 . 6806 1 112 . 1 1 9 9 LEU CD2 C 13 27 0.05 . 1 . . . . 9 LEU CD2 . 6806 1 113 . 1 1 9 9 LEU N N 15 122.1 0.05 . 1 . . . . 9 LEU N . 6806 1 114 . 1 1 10 10 GLY H H 1 8.90 0.005 . 1 . . . . 10 GLY H . 6806 1 115 . 1 1 10 10 GLY HA2 H 1 4.26 0.005 . 2 . . . . 10 GLY HA2 . 6806 1 116 . 1 1 10 10 GLY HA3 H 1 3.43 0.005 . 2 . . . . 10 GLY HA3 . 6806 1 117 . 1 1 10 10 GLY C C 13 174.8 0.05 . 1 . . . . 10 GLY C . 6806 1 118 . 1 1 10 10 GLY CA C 13 47.8 0.05 . 1 . . . . 10 GLY CA . 6806 1 119 . 1 1 10 10 GLY N N 15 111.0 0.05 . 1 . . . . 10 GLY N . 6806 1 120 . 1 1 11 11 TRP H H 1 8.55 0.005 . 1 . . . . 11 TRP H . 6806 1 121 . 1 1 11 11 TRP HA H 1 4.32 0.005 . 1 . . . . 11 TRP HA . 6806 1 122 . 1 1 11 11 TRP HB2 H 1 3.44 0.005 . 2 . . . . 11 TRP HB2 . 6806 1 123 . 1 1 11 11 TRP HB3 H 1 3.35 0.005 . 2 . . . . 11 TRP HB3 . 6806 1 124 . 1 1 11 11 TRP HD1 H 1 7.26 0.005 . 1 . . . . 11 TRP HD1 . 6806 1 125 . 1 1 11 11 TRP HE1 H 1 10.20 0.005 . 1 . . . . 11 TRP HE1 . 6806 1 126 . 1 1 11 11 TRP HE3 H 1 7.67 0.005 . 1 . . . . 11 TRP HE3 . 6806 1 127 . 1 1 11 11 TRP HZ2 H 1 7.42 0.005 . 1 . . . . 11 TRP HZ2 . 6806 1 128 . 1 1 11 11 TRP HZ3 H 1 7.11 0.005 . 1 . . . . 11 TRP HZ3 . 6806 1 129 . 1 1 11 11 TRP C C 13 177.7 0.05 . 1 . . . . 11 TRP C . 6806 1 130 . 1 1 11 11 TRP CA C 13 61.3 0.05 . 1 . . . . 11 TRP CA . 6806 1 131 . 1 1 11 11 TRP CB C 13 29.1 0.05 . 1 . . . . 11 TRP CB . 6806 1 132 . 1 1 11 11 TRP N N 15 122.9 0.05 . 1 . . . . 11 TRP N . 6806 1 133 . 1 1 11 11 TRP NE1 N 15 130.5 0.05 . 1 . . . . 11 TRP NE1 . 6806 1 134 . 1 1 12 12 ALA H H 1 8.25 0.005 . 1 . . . . 12 ALA H . 6806 1 135 . 1 1 12 12 ALA HA H 1 3.80 0.005 . 1 . . . . 12 ALA HA . 6806 1 136 . 1 1 12 12 ALA HB1 H 1 1.48 0.005 . 1 . . . . 12 ALA HB . 6806 1 137 . 1 1 12 12 ALA HB2 H 1 1.48 0.005 . 1 . . . . 12 ALA HB . 6806 1 138 . 1 1 12 12 ALA HB3 H 1 1.48 0.005 . 1 . . . . 12 ALA HB . 6806 1 139 . 1 1 12 12 ALA C C 13 178.9 0.05 . 1 . . . . 12 ALA C . 6806 1 140 . 1 1 12 12 ALA CA C 13 55.6 0.05 . 1 . . . . 12 ALA CA . 6806 1 141 . 1 1 12 12 ALA CB C 13 18.4 0.05 . 1 . . . . 12 ALA CB . 6806 1 142 . 1 1 12 12 ALA N N 15 120.7 0.05 . 1 . . . . 12 ALA N . 6806 1 143 . 1 1 13 13 THR H H 1 8.02 0.005 . 1 . . . . 13 THR H . 6806 1 144 . 1 1 13 13 THR HA H 1 3.46 0.005 . 1 . . . . 13 THR HA . 6806 1 145 . 1 1 13 13 THR HB H 1 4.19 0.005 . 1 . . . . 13 THR HB . 6806 1 146 . 1 1 13 13 THR HG21 H 1 1.11 0.005 . 1 . . . . 13 THR HG2 . 6806 1 147 . 1 1 13 13 THR HG22 H 1 1.11 0.005 . 1 . . . . 13 THR HG2 . 6806 1 148 . 1 1 13 13 THR HG23 H 1 1.11 0.005 . 1 . . . . 13 THR HG2 . 6806 1 149 . 1 1 13 13 THR C C 13 175.6 0.05 . 1 . . . . 13 THR C . 6806 1 150 . 1 1 13 13 THR CA C 13 68.2 0.05 . 1 . . . . 13 THR CA . 6806 1 151 . 1 1 13 13 THR CB C 13 68.2 0.05 . 1 . . . . 13 THR CB . 6806 1 152 . 1 1 13 13 THR CG2 C 13 21.7 0.05 . 1 . . . . 13 THR CG2 . 6806 1 153 . 1 1 13 13 THR N N 15 113.1 0.05 . 1 . . . . 13 THR N . 6806 1 154 . 1 1 14 14 TRP H H 1 8.38 0.005 . 1 . . . . 14 TRP H . 6806 1 155 . 1 1 14 14 TRP HA H 1 4.24 0.005 . 1 . . . . 14 TRP HA . 6806 1 156 . 1 1 14 14 TRP HB2 H 1 3.31 0.005 . 2 . . . . 14 TRP HB2 . 6806 1 157 . 1 1 14 14 TRP HB3 H 1 3.17 0.005 . 2 . . . . 14 TRP HB3 . 6806 1 158 . 1 1 14 14 TRP HD1 H 1 7.09 0.005 . 1 . . . . 14 TRP HD1 . 6806 1 159 . 1 1 14 14 TRP HE1 H 1 10.23 0.005 . 1 . . . . 14 TRP HE1 . 6806 1 160 . 1 1 14 14 TRP HE3 H 1 7.06 0.005 . 1 . . . . 14 TRP HE3 . 6806 1 161 . 1 1 14 14 TRP HZ2 H 1 7.54 0.005 . 1 . . . . 14 TRP HZ2 . 6806 1 162 . 1 1 14 14 TRP HZ3 H 1 6.62 0.005 . 1 . . . . 14 TRP HZ3 . 6806 1 163 . 1 1 14 14 TRP HH2 H 1 6.99 0.005 . 1 . . . . 14 TRP HH2 . 6806 1 164 . 1 1 14 14 TRP C C 13 177.6 0.05 . 1 . . . . 14 TRP C . 6806 1 165 . 1 1 14 14 TRP CA C 13 59.5 0.05 . 1 . . . . 14 TRP CA . 6806 1 166 . 1 1 14 14 TRP CB C 13 30.4 0.05 . 1 . . . . 14 TRP CB . 6806 1 167 . 1 1 14 14 TRP N N 15 122.0 0.05 . 1 . . . . 14 TRP N . 6806 1 168 . 1 1 14 14 TRP NE1 N 15 130.5 0.05 . 1 . . . . 14 TRP NE1 . 6806 1 169 . 1 1 15 15 GLU H H 1 8.40 0.005 . 1 . . . . 15 GLU H . 6806 1 170 . 1 1 15 15 GLU HA H 1 3.61 0.005 . 1 . . . . 15 GLU HA . 6806 1 171 . 1 1 15 15 GLU HB2 H 1 1.76 0.005 . 2 . . . . 15 GLU HB2 . 6806 1 172 . 1 1 15 15 GLU HB3 H 1 1.68 0.005 . 2 . . . . 15 GLU HB3 . 6806 1 173 . 1 1 15 15 GLU HG2 H 1 1.68 0.005 . 1 . . . . 15 GLU HG2 . 6806 1 174 . 1 1 15 15 GLU HG3 H 1 1.68 0.005 . 1 . . . . 15 GLU HG3 . 6806 1 175 . 1 1 15 15 GLU C C 13 180.1 0.05 . 1 . . . . 15 GLU C . 6806 1 176 . 1 1 15 15 GLU CA C 13 59.5 0.05 . 1 . . . . 15 GLU CA . 6806 1 177 . 1 1 15 15 GLU CB C 13 29.5 0.05 . 1 . . . . 15 GLU CB . 6806 1 178 . 1 1 15 15 GLU CG C 13 36.1 0.05 . 1 . . . . 15 GLU CG . 6806 1 179 . 1 1 15 15 GLU N N 15 118.9 0.05 . 1 . . . . 15 GLU N . 6806 1 180 . 1 1 16 16 ILE H H 1 7.95 0.005 . 1 . . . . 16 ILE H . 6806 1 181 . 1 1 16 16 ILE HA H 1 3.24 0.005 . 1 . . . . 16 ILE HA . 6806 1 182 . 1 1 16 16 ILE HB H 1 1.76 0.005 . 1 . . . . 16 ILE HB . 6806 1 183 . 1 1 16 16 ILE HG12 H 1 1.92 0.005 . 2 . . . . 16 ILE HG12 . 6806 1 184 . 1 1 16 16 ILE HG13 H 1 0.33 0.005 . 2 . . . . 16 ILE HG13 . 6806 1 185 . 1 1 16 16 ILE HG21 H 1 0.59 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 186 . 1 1 16 16 ILE HG22 H 1 0.59 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 187 . 1 1 16 16 ILE HG23 H 1 0.59 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 188 . 1 1 16 16 ILE HD11 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 189 . 1 1 16 16 ILE HD12 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 190 . 1 1 16 16 ILE HD13 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 191 . 1 1 16 16 ILE C C 13 176.9 0.05 . 1 . . . . 16 ILE C . 6806 1 192 . 1 1 16 16 ILE CA C 13 65.7 0.05 . 1 . . . . 16 ILE CA . 6806 1 193 . 1 1 16 16 ILE CB C 13 38.0 0.05 . 1 . . . . 16 ILE CB . 6806 1 194 . 1 1 16 16 ILE CG1 C 13 30.3 0.05 . 1 . . . . 16 ILE CG1 . 6806 1 195 . 1 1 16 16 ILE CG2 C 13 16.3 0.05 . 1 . . . . 16 ILE CG2 . 6806 1 196 . 1 1 16 16 ILE CD1 C 13 13.1 0.05 . 1 . . . . 16 ILE CD1 . 6806 1 197 . 1 1 16 16 ILE N N 15 119.7 0.05 . 1 . . . . 16 ILE N . 6806 1 198 . 1 1 17 17 PHE H H 1 8.28 0.005 . 1 . . . . 17 PHE H . 6806 1 199 . 1 1 17 17 PHE HA H 1 3.75 0.005 . 1 . . . . 17 PHE HA . 6806 1 200 . 1 1 17 17 PHE HB2 H 1 3.07 0.005 . 2 . . . . 17 PHE HB2 . 6806 1 201 . 1 1 17 17 PHE HB3 H 1 2.69 0.005 . 2 . . . . 17 PHE HB3 . 6806 1 202 . 1 1 17 17 PHE HD1 H 1 6.73 0.005 . 1 . . . . 17 PHE HD1 . 6806 1 203 . 1 1 17 17 PHE HD2 H 1 6.73 0.005 . 1 . . . . 17 PHE HD2 . 6806 1 204 . 1 1 17 17 PHE HE1 H 1 7.12 0.005 . 1 . . . . 17 PHE HE1 . 6806 1 205 . 1 1 17 17 PHE HE2 H 1 7.12 0.005 . 1 . . . . 17 PHE HE2 . 6806 1 206 . 1 1 17 17 PHE HZ H 1 7.33 0.005 . 1 . . . . 17 PHE HZ . 6806 1 207 . 1 1 17 17 PHE C C 13 175.1 0.05 . 1 . . . . 17 PHE C . 6806 1 208 . 1 1 17 17 PHE CA C 13 60.9 0.05 . 1 . . . . 17 PHE CA . 6806 1 209 . 1 1 17 17 PHE CB C 13 40.0 0.05 . 1 . . . . 17 PHE CB . 6806 1 210 . 1 1 17 17 PHE N N 15 117.5 0.05 . 1 . . . . 17 PHE N . 6806 1 211 . 1 1 18 18 ASN H H 1 6.78 0.005 . 1 . . . . 18 ASN H . 6806 1 212 . 1 1 18 18 ASN HA H 1 4.23 0.005 . 1 . . . . 18 ASN HA . 6806 1 213 . 1 1 18 18 ASN HB2 H 1 1.99 0.005 . 1 . . . . 18 ASN HB2 . 6806 1 214 . 1 1 18 18 ASN HB3 H 1 2.51 0.005 . 1 . . . . 18 ASN HB3 . 6806 1 215 . 1 1 18 18 ASN HD21 H 1 6.27 0.005 . 1 . . . . 18 ASN HD21 . 6806 1 216 . 1 1 18 18 ASN HD22 H 1 6.27 0.005 . 1 . . . . 18 ASN HD22 . 6806 1 217 . 1 1 18 18 ASN C C 13 174.6 0.05 . 1 . . . . 18 ASN C . 6806 1 218 . 1 1 18 18 ASN CA C 13 53.0 0.05 . 1 . . . . 18 ASN CA . 6806 1 219 . 1 1 18 18 ASN CB C 13 40.6 0.05 . 1 . . . . 18 ASN CB . 6806 1 220 . 1 1 18 18 ASN N N 15 111.6 0.05 . 1 . . . . 18 ASN N . 6806 1 221 . 1 1 18 18 ASN ND2 N 15 112.1 0.05 . 1 . . . . 18 ASN ND2 . 6806 1 222 . 1 1 19 19 LEU H H 1 7.34 0.005 . 1 . . . . 19 LEU H . 6806 1 223 . 1 1 19 19 LEU HA H 1 4.29 0.005 . 1 . . . . 19 LEU HA . 6806 1 224 . 1 1 19 19 LEU HB2 H 1 1.77 0.005 . 2 . . . . 19 LEU HB2 . 6806 1 225 . 1 1 19 19 LEU HB3 H 1 1.14 0.005 . 2 . . . . 19 LEU HB3 . 6806 1 226 . 1 1 19 19 LEU HG H 1 2.11 0.005 . 1 . . . . 19 LEU HG . 6806 1 227 . 1 1 19 19 LEU HD11 H 1 0.61 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 228 . 1 1 19 19 LEU HD12 H 1 0.61 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 229 . 1 1 19 19 LEU HD13 H 1 0.61 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 230 . 1 1 19 19 LEU HD21 H 1 0.73 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 231 . 1 1 19 19 LEU HD22 H 1 0.73 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 232 . 1 1 19 19 LEU HD23 H 1 0.73 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 233 . 1 1 19 19 LEU C C 13 177.2 0.05 . 1 . . . . 19 LEU C . 6806 1 234 . 1 1 19 19 LEU CA C 13 53.5 0.05 . 1 . . . . 19 LEU CA . 6806 1 235 . 1 1 19 19 LEU CB C 13 39.4 0.05 . 1 . . . . 19 LEU CB . 6806 1 236 . 1 1 19 19 LEU CG C 13 25.1 0.05 . 1 . . . . 19 LEU CG . 6806 1 237 . 1 1 19 19 LEU CD1 C 13 27.4 0.05 . 1 . . . . 19 LEU CD1 . 6806 1 238 . 1 1 19 19 LEU CD2 C 13 23.3 0.05 . 1 . . . . 19 LEU CD2 . 6806 1 239 . 1 1 19 19 LEU N N 15 126.6 0.05 . 1 . . . . 19 LEU N . 6806 1 240 . 1 1 20 20 PRO HA H 1 4.21 0.005 . 1 . . . . 20 PRO HA . 6806 1 241 . 1 1 20 20 PRO HB2 H 1 2.21 0.005 . 2 . . . . 20 PRO HB2 . 6806 1 242 . 1 1 20 20 PRO HB3 H 1 1.88 0.005 . 2 . . . . 20 PRO HB3 . 6806 1 243 . 1 1 20 20 PRO HG2 H 1 2.08 0.005 . 2 . . . . 20 PRO HG2 . 6806 1 244 . 1 1 20 20 PRO HG3 H 1 1.93 0.005 . 2 . . . . 20 PRO HG3 . 6806 1 245 . 1 1 20 20 PRO HD2 H 1 3.88 0.005 . 2 . . . . 20 PRO HD2 . 6806 1 246 . 1 1 20 20 PRO HD3 H 1 3.63 0.005 . 2 . . . . 20 PRO HD3 . 6806 1 247 . 1 1 20 20 PRO C C 13 178.0 0.05 . 1 . . . . 20 PRO C . 6806 1 248 . 1 1 20 20 PRO CA C 13 64.8 0.05 . 1 . . . . 20 PRO CA . 6806 1 249 . 1 1 20 20 PRO CB C 13 32.2 0.05 . 1 . . . . 20 PRO CB . 6806 1 250 . 1 1 20 20 PRO CG C 13 27.3 0.05 . 1 . . . . 20 PRO CG . 6806 1 251 . 1 1 20 20 PRO CD C 13 51 0.05 . 1 . . . . 20 PRO CD . 6806 1 252 . 1 1 21 21 ASN H H 1 8.76 0.005 . 1 . . . . 21 ASN H . 6806 1 253 . 1 1 21 21 ASN HA H 1 4.94 0.005 . 1 . . . . 21 ASN HA . 6806 1 254 . 1 1 21 21 ASN HB2 H 1 2.77 0.005 . 1 . . . . 21 ASN HB2 . 6806 1 255 . 1 1 21 21 ASN HB3 H 1 2.87 0.005 . 1 . . . . 21 ASN HB3 . 6806 1 256 . 1 1 21 21 ASN HD21 H 1 7.36 0.005 . 2 . . . . 21 ASN HD21 . 6806 1 257 . 1 1 21 21 ASN HD22 H 1 6.90 0.005 . 2 . . . . 21 ASN HD22 . 6806 1 258 . 1 1 21 21 ASN C C 13 176.2 0.05 . 1 . . . . 21 ASN C . 6806 1 259 . 1 1 21 21 ASN CA C 13 52.3 0.05 . 1 . . . . 21 ASN CA . 6806 1 260 . 1 1 21 21 ASN CB C 13 38.7 0.05 . 1 . . . . 21 ASN CB . 6806 1 261 . 1 1 21 21 ASN N N 15 113.6 0.05 . 1 . . . . 21 ASN N . 6806 1 262 . 1 1 21 21 ASN ND2 N 15 115.5 0.05 . 1 . . . . 21 ASN ND2 . 6806 1 263 . 1 1 22 22 LEU H H 1 6.65 0.005 . 1 . . . . 22 LEU H . 6806 1 264 . 1 1 22 22 LEU HA H 1 4.44 0.005 . 1 . . . . 22 LEU HA . 6806 1 265 . 1 1 22 22 LEU HB2 H 1 1.76 0.005 . 1 . . . . 22 LEU HB2 . 6806 1 266 . 1 1 22 22 LEU HB3 H 1 1.43 0.005 . 1 . . . . 22 LEU HB3 . 6806 1 267 . 1 1 22 22 LEU HG H 1 1.60 0.005 . 1 . . . . 22 LEU HG . 6806 1 268 . 1 1 22 22 LEU HD11 H 1 0.88 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 269 . 1 1 22 22 LEU HD12 H 1 0.88 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 270 . 1 1 22 22 LEU HD13 H 1 0.88 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 271 . 1 1 22 22 LEU HD21 H 1 0.76 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 272 . 1 1 22 22 LEU HD22 H 1 0.76 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 273 . 1 1 22 22 LEU HD23 H 1 0.76 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 274 . 1 1 22 22 LEU C C 13 176.7 0.05 . 1 . . . . 22 LEU C . 6806 1 275 . 1 1 22 22 LEU CA C 13 54.1 0.05 . 1 . . . . 22 LEU CA . 6806 1 276 . 1 1 22 22 LEU CB C 13 42.7 0.05 . 1 . . . . 22 LEU CB . 6806 1 277 . 1 1 22 22 LEU CG C 13 27.3 0.05 . 1 . . . . 22 LEU CG . 6806 1 278 . 1 1 22 22 LEU CD1 C 13 26.9 0.05 . 1 . . . . 22 LEU CD1 . 6806 1 279 . 1 1 22 22 LEU CD2 C 13 22.5 0.05 . 1 . . . . 22 LEU CD2 . 6806 1 280 . 1 1 22 22 LEU N N 15 119.3 0.05 . 1 . . . . 22 LEU N . 6806 1 281 . 1 1 23 23 ASN H H 1 8.57 0.005 . 1 . . . . 23 ASN H . 6806 1 282 . 1 1 23 23 ASN HA H 1 4.90 0.005 . 1 . . . . 23 ASN HA . 6806 1 283 . 1 1 23 23 ASN HB2 H 1 3.16 0.005 . 2 . . . . 23 ASN HB2 . 6806 1 284 . 1 1 23 23 ASN HB3 H 1 2.77 0.005 . 2 . . . . 23 ASN HB3 . 6806 1 285 . 1 1 23 23 ASN HD21 H 1 7.56 0.005 . 2 . . . . 23 ASN HD21 . 6806 1 286 . 1 1 23 23 ASN HD22 H 1 6.97 0.005 . 2 . . . . 23 ASN HD22 . 6806 1 287 . 1 1 23 23 ASN C C 13 176.2 0.05 . 1 . . . . 23 ASN C . 6806 1 288 . 1 1 23 23 ASN CA C 13 51.3 0.05 . 1 . . . . 23 ASN CA . 6806 1 289 . 1 1 23 23 ASN CB C 13 39.3 0.05 . 1 . . . . 23 ASN CB . 6806 1 290 . 1 1 23 23 ASN N N 15 120.6 0.05 . 1 . . . . 23 ASN N . 6806 1 291 . 1 1 23 23 ASN ND2 N 15 113.2 0.05 . 1 . . . . 23 ASN ND2 . 6806 1 292 . 1 1 24 24 GLY H H 1 8.63 0.005 . 1 . . . . 24 GLY H . 6806 1 293 . 1 1 24 24 GLY HA2 H 1 3.91 0.005 . 2 . . . . 24 GLY HA2 . 6806 1 294 . 1 1 24 24 GLY HA3 H 1 3.72 0.005 . 2 . . . . 24 GLY HA3 . 6806 1 295 . 1 1 24 24 GLY C C 13 177.1 0.05 . 1 . . . . 24 GLY C . 6806 1 296 . 1 1 24 24 GLY CA C 13 47.7 0.05 . 1 . . . . 24 GLY CA . 6806 1 297 . 1 1 24 24 GLY N N 15 106.4 0.05 . 1 . . . . 24 GLY N . 6806 1 298 . 1 1 25 25 VAL H H 1 7.82 0.005 . 1 . . . . 25 VAL H . 6806 1 299 . 1 1 25 25 VAL HA H 1 3.72 0.005 . 1 . . . . 25 VAL HA . 6806 1 300 . 1 1 25 25 VAL HB H 1 2.16 0.005 . 1 . . . . 25 VAL HB . 6806 1 301 . 1 1 25 25 VAL HG11 H 1 0.92 0.005 . 1 . . . . 25 VAL HG1 . 6806 1 302 . 1 1 25 25 VAL HG12 H 1 0.92 0.005 . 1 . . . . 25 VAL HG1 . 6806 1 303 . 1 1 25 25 VAL HG13 H 1 0.92 0.005 . 1 . . . . 25 VAL HG1 . 6806 1 304 . 1 1 25 25 VAL HG21 H 1 0.98 0.005 . 1 . . . . 25 VAL HG2 . 6806 1 305 . 1 1 25 25 VAL HG22 H 1 0.98 0.005 . 1 . . . . 25 VAL HG2 . 6806 1 306 . 1 1 25 25 VAL HG23 H 1 0.98 0.005 . 1 . . . . 25 VAL HG2 . 6806 1 307 . 1 1 25 25 VAL C C 13 179.0 0.05 . 1 . . . . 25 VAL C . 6806 1 308 . 1 1 25 25 VAL CA C 13 65.9 0.05 . 1 . . . . 25 VAL CA . 6806 1 309 . 1 1 25 25 VAL CB C 13 31.5 0.05 . 1 . . . . 25 VAL CB . 6806 1 310 . 1 1 25 25 VAL CG1 C 13 21.1 0.05 . 1 . . . . 25 VAL CG1 . 6806 1 311 . 1 1 25 25 VAL CG2 C 13 22.1 0.05 . 1 . . . . 25 VAL CG2 . 6806 1 312 . 1 1 25 25 VAL N N 15 123.1 0.05 . 1 . . . . 25 VAL N . 6806 1 313 . 1 1 26 26 GLN H H 1 8.11 0.005 . 1 . . . . 26 GLN H . 6806 1 314 . 1 1 26 26 GLN HA H 1 4.00 0.005 . 1 . . . . 26 GLN HA . 6806 1 315 . 1 1 26 26 GLN HB2 H 1 2.52 0.005 . 2 . . . . 26 GLN HB2 . 6806 1 316 . 1 1 26 26 GLN HB3 H 1 1.70 0.005 . 2 . . . . 26 GLN HB3 . 6806 1 317 . 1 1 26 26 GLN HG2 H 1 2.67 0.005 . 2 . . . . 26 GLN HG2 . 6806 1 318 . 1 1 26 26 GLN HG3 H 1 2.31 0.005 . 2 . . . . 26 GLN HG3 . 6806 1 319 . 1 1 26 26 GLN HE21 H 1 8.33 0.005 . 2 . . . . 26 GLN HE21 . 6806 1 320 . 1 1 26 26 GLN HE22 H 1 7.62 0.005 . 2 . . . . 26 GLN HE22 . 6806 1 321 . 1 1 26 26 GLN C C 13 178.7 0.05 . 1 . . . . 26 GLN C . 6806 1 322 . 1 1 26 26 GLN CA C 13 58.4 0.05 . 1 . . . . 26 GLN CA . 6806 1 323 . 1 1 26 26 GLN CB C 13 28.6 0.05 . 1 . . . . 26 GLN CB . 6806 1 324 . 1 1 26 26 GLN CG C 13 34.6 0.05 . 1 . . . . 26 GLN CG . 6806 1 325 . 1 1 26 26 GLN N N 15 122.0 0.05 . 1 . . . . 26 GLN N . 6806 1 326 . 1 1 26 26 GLN NE2 N 15 113.7 0.05 . 1 . . . . 26 GLN NE2 . 6806 1 327 . 1 1 27 27 VAL H H 1 8.30 0.005 . 1 . . . . 27 VAL H . 6806 1 328 . 1 1 27 27 VAL HA H 1 3.49 0.005 . 1 . . . . 27 VAL HA . 6806 1 329 . 1 1 27 27 VAL HB H 1 1.96 0.005 . 1 . . . . 27 VAL HB . 6806 1 330 . 1 1 27 27 VAL HG11 H 1 0.84 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 331 . 1 1 27 27 VAL HG12 H 1 0.84 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 332 . 1 1 27 27 VAL HG13 H 1 0.84 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 333 . 1 1 27 27 VAL HG21 H 1 0.92 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 334 . 1 1 27 27 VAL HG22 H 1 0.92 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 335 . 1 1 27 27 VAL HG23 H 1 0.92 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 336 . 1 1 27 27 VAL C C 13 177.5 0.05 . 1 . . . . 27 VAL C . 6806 1 337 . 1 1 27 27 VAL CA C 13 68.1 0.05 . 1 . . . . 27 VAL CA . 6806 1 338 . 1 1 27 27 VAL CB C 13 31.9 0.05 . 1 . . . . 27 VAL CB . 6806 1 339 . 1 1 27 27 VAL CG1 C 13 21.8 0.05 . 1 . . . . 27 VAL CG1 . 6806 1 340 . 1 1 27 27 VAL CG2 C 13 24.1 0.05 . 1 . . . . 27 VAL CG2 . 6806 1 341 . 1 1 27 27 VAL N N 15 119.4 0.05 . 1 . . . . 27 VAL N . 6806 1 342 . 1 1 28 28 LYS H H 1 7.79 0.005 . 1 . . . . 28 LYS H . 6806 1 343 . 1 1 28 28 LYS HA H 1 3.70 0.005 . 1 . . . . 28 LYS HA . 6806 1 344 . 1 1 28 28 LYS HB2 H 1 1.91 0.005 . 1 . . . . 28 LYS HB2 . 6806 1 345 . 1 1 28 28 LYS HB3 H 1 1.91 0.005 . 1 . . . . 28 LYS HB3 . 6806 1 346 . 1 1 28 28 LYS HG2 H 1 1.41 0.005 . 1 . . . . 28 LYS HG2 . 6806 1 347 . 1 1 28 28 LYS HG3 H 1 1.41 0.005 . 1 . . . . 28 LYS HG3 . 6806 1 348 . 1 1 28 28 LYS HD2 H 1 1.68 0.005 . 1 . . . . 28 LYS HD2 . 6806 1 349 . 1 1 28 28 LYS HD3 H 1 1.68 0.005 . 1 . . . . 28 LYS HD3 . 6806 1 350 . 1 1 28 28 LYS HE2 H 1 2.95 0.005 . 1 . . . . 28 LYS HE2 . 6806 1 351 . 1 1 28 28 LYS HE3 H 1 2.95 0.005 . 1 . . . . 28 LYS HE3 . 6806 1 352 . 1 1 28 28 LYS C C 13 177.1 0.05 . 1 . . . . 28 LYS C . 6806 1 353 . 1 1 28 28 LYS CA C 13 60.6 0.05 . 1 . . . . 28 LYS CA . 6806 1 354 . 1 1 28 28 LYS CB C 13 32.0 0.05 . 1 . . . . 28 LYS CB . 6806 1 355 . 1 1 28 28 LYS CG C 13 25.4 0.05 . 1 . . . . 28 LYS CG . 6806 1 356 . 1 1 28 28 LYS CD C 13 29.3 0.05 . 1 . . . . 28 LYS CD . 6806 1 357 . 1 1 28 28 LYS CE C 13 42.3 0.05 . 1 . . . . 28 LYS CE . 6806 1 358 . 1 1 28 28 LYS N N 15 119.2 0.05 . 1 . . . . 28 LYS N . 6806 1 359 . 1 1 29 29 ALA H H 1 7.78 0.005 . 1 . . . . 29 ALA H . 6806 1 360 . 1 1 29 29 ALA HA H 1 4.19 0.005 . 1 . . . . 29 ALA HA . 6806 1 361 . 1 1 29 29 ALA HB1 H 1 1.33 0.005 . 1 . . . . 29 ALA HB . 6806 1 362 . 1 1 29 29 ALA HB2 H 1 1.33 0.005 . 1 . . . . 29 ALA HB . 6806 1 363 . 1 1 29 29 ALA HB3 H 1 1.33 0.005 . 1 . . . . 29 ALA HB . 6806 1 364 . 1 1 29 29 ALA C C 13 181.5 0.05 . 1 . . . . 29 ALA C . 6806 1 365 . 1 1 29 29 ALA CA C 13 55.2 0.05 . 1 . . . . 29 ALA CA . 6806 1 366 . 1 1 29 29 ALA CB C 13 17.7 0.05 . 1 . . . . 29 ALA CB . 6806 1 367 . 1 1 29 29 ALA N N 15 120.9 0.05 . 1 . . . . 29 ALA N . 6806 1 368 . 1 1 30 30 PHE H H 1 8.08 0.005 . 1 . . . . 30 PHE H . 6806 1 369 . 1 1 30 30 PHE HA H 1 4.31 0.005 . 1 . . . . 30 PHE HA . 6806 1 370 . 1 1 30 30 PHE HB2 H 1 3.15 0.005 . 2 . . . . 30 PHE HB2 . 6806 1 371 . 1 1 30 30 PHE HB3 H 1 2.96 0.005 . 2 . . . . 30 PHE HB3 . 6806 1 372 . 1 1 30 30 PHE HD1 H 1 7.23 0.005 . 1 . . . . 30 PHE HD1 . 6806 1 373 . 1 1 30 30 PHE HD2 H 1 7.23 0.005 . 1 . . . . 30 PHE HD2 . 6806 1 374 . 1 1 30 30 PHE HE1 H 1 7.04 0.005 . 1 . . . . 30 PHE HE1 . 6806 1 375 . 1 1 30 30 PHE HE2 H 1 7.04 0.005 . 1 . . . . 30 PHE HE2 . 6806 1 376 . 1 1 30 30 PHE C C 13 178.0 0.05 . 1 . . . . 30 PHE C . 6806 1 377 . 1 1 30 30 PHE CA C 13 63.1 0.05 . 1 . . . . 30 PHE CA . 6806 1 378 . 1 1 30 30 PHE CB C 13 39.2 0.05 . 1 . . . . 30 PHE CB . 6806 1 379 . 1 1 30 30 PHE N N 15 117.7 0.05 . 1 . . . . 30 PHE N . 6806 1 380 . 1 1 31 31 ILE H H 1 8.49 0.005 . 1 . . . . 31 ILE H . 6806 1 381 . 1 1 31 31 ILE HA H 1 3.76 0.005 . 1 . . . . 31 ILE HA . 6806 1 382 . 1 1 31 31 ILE HB H 1 2.27 0.005 . 1 . . . . 31 ILE HB . 6806 1 383 . 1 1 31 31 ILE HG12 H 1 1.65 0.005 . 2 . . . . 31 ILE HG12 . 6806 1 384 . 1 1 31 31 ILE HG13 H 1 1.46 0.005 . 2 . . . . 31 ILE HG13 . 6806 1 385 . 1 1 31 31 ILE HG21 H 1 0.89 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 386 . 1 1 31 31 ILE HG22 H 1 0.89 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 387 . 1 1 31 31 ILE HG23 H 1 0.89 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 388 . 1 1 31 31 ILE HD11 H 1 0.86 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 389 . 1 1 31 31 ILE HD12 H 1 0.86 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 390 . 1 1 31 31 ILE HD13 H 1 0.86 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 391 . 1 1 31 31 ILE C C 13 177.8 0.05 . 1 . . . . 31 ILE C . 6806 1 392 . 1 1 31 31 ILE CA C 13 65.2 0.05 . 1 . . . . 31 ILE CA . 6806 1 393 . 1 1 31 31 ILE CB C 13 36.3 0.05 . 1 . . . . 31 ILE CB . 6806 1 394 . 1 1 31 31 ILE CG1 C 13 29.6 0.05 . 1 . . . . 31 ILE CG1 . 6806 1 395 . 1 1 31 31 ILE CG2 C 13 16.8 0.05 . 1 . . . . 31 ILE CG2 . 6806 1 396 . 1 1 31 31 ILE CD1 C 13 12.7 0.05 . 1 . . . . 31 ILE CD1 . 6806 1 397 . 1 1 31 31 ILE N N 15 121.6 0.05 . 1 . . . . 31 ILE N . 6806 1 398 . 1 1 32 32 ASP H H 1 8.84 0.005 . 1 . . . . 32 ASP H . 6806 1 399 . 1 1 32 32 ASP HA H 1 4.35 0.005 . 1 . . . . 32 ASP HA . 6806 1 400 . 1 1 32 32 ASP HB2 H 1 2.86 0.005 . 2 . . . . 32 ASP HB2 . 6806 1 401 . 1 1 32 32 ASP HB3 H 1 2.69 0.005 . 2 . . . . 32 ASP HB3 . 6806 1 402 . 1 1 32 32 ASP C C 13 179.3 0.05 . 1 . . . . 32 ASP C . 6806 1 403 . 1 1 32 32 ASP CA C 13 57.8 0.05 . 1 . . . . 32 ASP CA . 6806 1 404 . 1 1 32 32 ASP CB C 13 40.0 0.05 . 1 . . . . 32 ASP CB . 6806 1 405 . 1 1 32 32 ASP N N 15 121.1 0.05 . 1 . . . . 32 ASP N . 6806 1 406 . 1 1 33 33 SER H H 1 8.08 0.005 . 1 . . . . 33 SER H . 6806 1 407 . 1 1 33 33 SER HA H 1 4.24 0.005 . 1 . . . . 33 SER HA . 6806 1 408 . 1 1 33 33 SER HB2 H 1 4.01 0.005 . 2 . . . . 33 SER HB2 . 6806 1 409 . 1 1 33 33 SER HB3 H 1 3.96 0.005 . 2 . . . . 33 SER HB3 . 6806 1 410 . 1 1 33 33 SER C C 13 176.7 0.05 . 1 . . . . 33 SER C . 6806 1 411 . 1 1 33 33 SER CA C 13 62.8 0.05 . 1 . . . . 33 SER CA . 6806 1 412 . 1 1 33 33 SER CB C 13 63.4 0.05 . 1 . . . . 33 SER CB . 6806 1 413 . 1 1 33 33 SER N N 15 117.3 0.05 . 1 . . . . 33 SER N . 6806 1 414 . 1 1 34 34 LEU H H 1 8.61 0.005 . 1 . . . . 34 LEU H . 6806 1 415 . 1 1 34 34 LEU HA H 1 3.72 0.005 . 1 . . . . 34 LEU HA . 6806 1 416 . 1 1 34 34 LEU HB2 H 1 1.97 0.005 . 1 . . . . 34 LEU HB2 . 6806 1 417 . 1 1 34 34 LEU HB3 H 1 1.12 0.005 . 1 . . . . 34 LEU HB3 . 6806 1 418 . 1 1 34 34 LEU HG H 1 1.73 0.005 . 1 . . . . 34 LEU HG . 6806 1 419 . 1 1 34 34 LEU HD11 H 1 0.88 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 420 . 1 1 34 34 LEU HD12 H 1 0.88 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 421 . 1 1 34 34 LEU HD13 H 1 0.88 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 422 . 1 1 34 34 LEU HD21 H 1 0.75 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 423 . 1 1 34 34 LEU HD22 H 1 0.75 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 424 . 1 1 34 34 LEU HD23 H 1 0.75 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 425 . 1 1 34 34 LEU C C 13 177.3 0.05 . 1 . . . . 34 LEU C . 6806 1 426 . 1 1 34 34 LEU CA C 13 57.5 0.05 . 1 . . . . 34 LEU CA . 6806 1 427 . 1 1 34 34 LEU CB C 13 43.2 0.05 . 1 . . . . 34 LEU CB . 6806 1 428 . 1 1 34 34 LEU CG C 13 27 0.05 . 1 . . . . 34 LEU CG . 6806 1 429 . 1 1 34 34 LEU CD1 C 13 25.6 0.05 . 1 . . . . 34 LEU CD1 . 6806 1 430 . 1 1 34 34 LEU CD2 C 13 25 0.05 . 1 . . . . 34 LEU CD2 . 6806 1 431 . 1 1 34 34 LEU N N 15 125.3 0.05 . 1 . . . . 34 LEU N . 6806 1 432 . 1 1 35 35 ARG H H 1 7.97 0.005 . 1 . . . . 35 ARG H . 6806 1 433 . 1 1 35 35 ARG HA H 1 3.90 0.005 . 1 . . . . 35 ARG HA . 6806 1 434 . 1 1 35 35 ARG HB2 H 1 1.99 0.005 . 2 . . . . 35 ARG HB2 . 6806 1 435 . 1 1 35 35 ARG HB3 H 1 1.87 0.005 . 2 . . . . 35 ARG HB3 . 6806 1 436 . 1 1 35 35 ARG HG2 H 1 2.21 0.005 . 2 . . . . 35 ARG HG2 . 6806 1 437 . 1 1 35 35 ARG HG3 H 1 1.76 0.005 . 2 . . . . 35 ARG HG3 . 6806 1 438 . 1 1 35 35 ARG HD2 H 1 3.27 0.005 . 1 . . . . 35 ARG HD2 . 6806 1 439 . 1 1 35 35 ARG HD3 H 1 3.27 0.005 . 1 . . . . 35 ARG HD3 . 6806 1 440 . 1 1 35 35 ARG HE H 1 7.60 0.005 . 1 . . . . 35 ARG HE . 6806 1 441 . 1 1 35 35 ARG HH11 H 1 6.68 0.005 . 2 . . . . 35 ARG HH11 . 6806 1 442 . 1 1 35 35 ARG HH12 H 1 6.27 0.005 . 2 . . . . 35 ARG HH12 . 6806 1 443 . 1 1 35 35 ARG C C 13 179.1 0.05 . 1 . . . . 35 ARG C . 6806 1 444 . 1 1 35 35 ARG CA C 13 59.5 0.05 . 1 . . . . 35 ARG CA . 6806 1 445 . 1 1 35 35 ARG CB C 13 30.3 0.05 . 1 . . . . 35 ARG CB . 6806 1 446 . 1 1 35 35 ARG CG C 13 29.5 0.05 . 1 . . . . 35 ARG CG . 6806 1 447 . 1 1 35 35 ARG CD C 13 44.2 0.05 . 1 . . . . 35 ARG CD . 6806 1 448 . 1 1 35 35 ARG N N 15 114.6 0.05 . 1 . . . . 35 ARG N . 6806 1 449 . 1 1 35 35 ARG NE N 15 85.3 0.05 . 1 . . . . 35 ARG NE . 6806 1 450 . 1 1 35 35 ARG NH1 N 15 72.6 0.05 . 2 . . . . 35 ARG NH1 . 6806 1 451 . 1 1 36 36 ASP H H 1 7.64 0.005 . 1 . . . . 36 ASP H . 6806 1 452 . 1 1 36 36 ASP HA H 1 4.46 0.005 . 1 . . . . 36 ASP HA . 6806 1 453 . 1 1 36 36 ASP HB2 H 1 2.76 0.005 . 1 . . . . 36 ASP HB2 . 6806 1 454 . 1 1 36 36 ASP HB3 H 1 2.68 0.005 . 1 . . . . 36 ASP HB3 . 6806 1 455 . 1 1 36 36 ASP C C 13 177.1 0.05 . 1 . . . . 36 ASP C . 6806 1 456 . 1 1 36 36 ASP CA C 13 56.7 0.05 . 1 . . . . 36 ASP CA . 6806 1 457 . 1 1 36 36 ASP CB C 13 41.7 0.05 . 1 . . . . 36 ASP CB . 6806 1 458 . 1 1 36 36 ASP N N 15 118.6 0.05 . 1 . . . . 36 ASP N . 6806 1 459 . 1 1 37 37 ASP H H 1 7.40 0.005 . 1 . . . . 37 ASP H . 6806 1 460 . 1 1 37 37 ASP HA H 1 4.92 0.005 . 1 . . . . 37 ASP HA . 6806 1 461 . 1 1 37 37 ASP HB2 H 1 2.99 0.005 . 2 . . . . 37 ASP HB2 . 6806 1 462 . 1 1 37 37 ASP HB3 H 1 2.56 0.005 . 2 . . . . 37 ASP HB3 . 6806 1 463 . 1 1 37 37 ASP C C 13 173.1 0.05 . 1 . . . . 37 ASP C . 6806 1 464 . 1 1 37 37 ASP CA C 13 51.6 0.05 . 1 . . . . 37 ASP CA . 6806 1 465 . 1 1 37 37 ASP CB C 13 40.6 0.05 . 1 . . . . 37 ASP CB . 6806 1 466 . 1 1 37 37 ASP N N 15 112.6 0.05 . 1 . . . . 37 ASP N . 6806 1 467 . 1 1 38 38 PRO HA H 1 4.48 0.005 . 1 . . . . 38 PRO HA . 6806 1 468 . 1 1 38 38 PRO HB2 H 1 2.45 0.005 . 2 . . . . 38 PRO HB2 . 6806 1 469 . 1 1 38 38 PRO HB3 H 1 2.04 0.005 . 2 . . . . 38 PRO HB3 . 6806 1 470 . 1 1 38 38 PRO HG2 H 1 2.20 0.005 . 2 . . . . 38 PRO HG2 . 6806 1 471 . 1 1 38 38 PRO HG3 H 1 2.10 0.005 . 2 . . . . 38 PRO HG3 . 6806 1 472 . 1 1 38 38 PRO HD2 H 1 3.89 0.005 . 2 . . . . 38 PRO HD2 . 6806 1 473 . 1 1 38 38 PRO HD3 H 1 3.65 0.005 . 2 . . . . 38 PRO HD3 . 6806 1 474 . 1 1 38 38 PRO C C 13 178.6 0.05 . 1 . . . . 38 PRO C . 6806 1 475 . 1 1 38 38 PRO CA C 13 64.3 0.05 . 1 . . . . 38 PRO CA . 6806 1 476 . 1 1 38 38 PRO CB C 13 33.1 0.05 . 1 . . . . 38 PRO CB . 6806 1 477 . 1 1 38 38 PRO CG C 13 26.8 0.05 . 1 . . . . 38 PRO CG . 6806 1 478 . 1 1 38 38 PRO CD C 13 50.3 0.05 . 1 . . . . 38 PRO CD . 6806 1 479 . 1 1 39 39 SER H H 1 8.20 0.005 . 1 . . . . 39 SER H . 6806 1 480 . 1 1 39 39 SER HA H 1 4.30 0.005 . 1 . . . . 39 SER HA . 6806 1 481 . 1 1 39 39 SER HB2 H 1 4.07 0.005 . 2 . . . . 39 SER HB2 . 6806 1 482 . 1 1 39 39 SER HB3 H 1 3.98 0.005 . 2 . . . . 39 SER HB3 . 6806 1 483 . 1 1 39 39 SER C C 13 176.1 0.05 . 1 . . . . 39 SER C . 6806 1 484 . 1 1 39 39 SER CA C 13 61.2 0.05 . 1 . . . . 39 SER CA . 6806 1 485 . 1 1 39 39 SER CB C 13 62.7 0.05 . 1 . . . . 39 SER CB . 6806 1 486 . 1 1 39 39 SER N N 15 115.4 0.05 . 1 . . . . 39 SER N . 6806 1 487 . 1 1 40 40 GLN H H 1 7.83 0.005 . 1 . . . . 40 GLN H . 6806 1 488 . 1 1 40 40 GLN HA H 1 4.64 0.005 . 1 . . . . 40 GLN HA . 6806 1 489 . 1 1 40 40 GLN HB2 H 1 2.66 0.005 . 2 . . . . 40 GLN HB2 . 6806 1 490 . 1 1 40 40 GLN HB3 H 1 2.00 0.005 . 2 . . . . 40 GLN HB3 . 6806 1 491 . 1 1 40 40 GLN HG2 H 1 2.45 0.005 . 2 . . . . 40 GLN HG2 . 6806 1 492 . 1 1 40 40 GLN HG3 H 1 2.29 0.005 . 2 . . . . 40 GLN HG3 . 6806 1 493 . 1 1 40 40 GLN HE21 H 1 7.51 0.005 . 2 . . . . 40 GLN HE21 . 6806 1 494 . 1 1 40 40 GLN HE22 H 1 6.85 0.005 . 2 . . . . 40 GLN HE22 . 6806 1 495 . 1 1 40 40 GLN C C 13 176.2 0.05 . 1 . . . . 40 GLN C . 6806 1 496 . 1 1 40 40 GLN CA C 13 55.1 0.05 . 1 . . . . 40 GLN CA . 6806 1 497 . 1 1 40 40 GLN CB C 13 28.0 0.05 . 1 . . . . 40 GLN CB . 6806 1 498 . 1 1 40 40 GLN CG C 13 33.5 0.05 . 1 . . . . 40 GLN CG . 6806 1 499 . 1 1 40 40 GLN N N 15 121.0 0.05 . 1 . . . . 40 GLN N . 6806 1 500 . 1 1 40 40 GLN NE2 N 15 114.9 0.05 . 1 . . . . 40 GLN NE2 . 6806 1 501 . 1 1 41 41 SER H H 1 7.48 0.005 . 1 . . . . 41 SER H . 6806 1 502 . 1 1 41 41 SER HA H 1 3.82 0.005 . 1 . . . . 41 SER HA . 6806 1 503 . 1 1 41 41 SER HB2 H 1 3.85 0.005 . 2 . . . . 41 SER HB2 . 6806 1 504 . 1 1 41 41 SER HB3 H 1 3.77 0.005 . 2 . . . . 41 SER HB3 . 6806 1 505 . 1 1 41 41 SER C C 13 174.5 0.05 . 1 . . . . 41 SER C . 6806 1 506 . 1 1 41 41 SER CA C 13 63.5 0.05 . 1 . . . . 41 SER CA . 6806 1 507 . 1 1 41 41 SER CB C 13 62.6 0.05 . 1 . . . . 41 SER CB . 6806 1 508 . 1 1 41 41 SER N N 15 116.5 0.05 . 1 . . . . 41 SER N . 6806 1 509 . 1 1 42 42 ALA H H 1 8.47 0.005 . 1 . . . . 42 ALA H . 6806 1 510 . 1 1 42 42 ALA HA H 1 4.15 0.005 . 1 . . . . 42 ALA HA . 6806 1 511 . 1 1 42 42 ALA HB1 H 1 1.45 0.005 . 1 . . . . 42 ALA HB . 6806 1 512 . 1 1 42 42 ALA HB2 H 1 1.45 0.005 . 1 . . . . 42 ALA HB . 6806 1 513 . 1 1 42 42 ALA HB3 H 1 1.45 0.005 . 1 . . . . 42 ALA HB . 6806 1 514 . 1 1 42 42 ALA C C 13 181.0 0.05 . 1 . . . . 42 ALA C . 6806 1 515 . 1 1 42 42 ALA CA C 13 55.7 0.05 . 1 . . . . 42 ALA CA . 6806 1 516 . 1 1 42 42 ALA CB C 13 18.0 0.05 . 1 . . . . 42 ALA CB . 6806 1 517 . 1 1 42 42 ALA N N 15 123.9 0.05 . 1 . . . . 42 ALA N . 6806 1 518 . 1 1 43 43 ASN H H 1 7.99 0.005 . 1 . . . . 43 ASN H . 6806 1 519 . 1 1 43 43 ASN HA H 1 4.52 0.005 . 1 . . . . 43 ASN HA . 6806 1 520 . 1 1 43 43 ASN HB2 H 1 2.89 0.005 . 1 . . . . 43 ASN HB2 . 6806 1 521 . 1 1 43 43 ASN HB3 H 1 2.89 0.005 . 1 . . . . 43 ASN HB3 . 6806 1 522 . 1 1 43 43 ASN HD21 H 1 7.77 0.005 . 2 . . . . 43 ASN HD21 . 6806 1 523 . 1 1 43 43 ASN HD22 H 1 6.99 0.005 . 2 . . . . 43 ASN HD22 . 6806 1 524 . 1 1 43 43 ASN C C 13 178.2 0.05 . 1 . . . . 43 ASN C . 6806 1 525 . 1 1 43 43 ASN CA C 13 55.9 0.05 . 1 . . . . 43 ASN CA . 6806 1 526 . 1 1 43 43 ASN CB C 13 37.9 0.05 . 1 . . . . 43 ASN CB . 6806 1 527 . 1 1 43 43 ASN N N 15 119.3 0.05 . 1 . . . . 43 ASN N . 6806 1 528 . 1 1 43 43 ASN ND2 N 15 113.5 0.05 . 1 . . . . 43 ASN ND2 . 6806 1 529 . 1 1 44 44 LEU H H 1 8.70 0.005 . 1 . . . . 44 LEU H . 6806 1 530 . 1 1 44 44 LEU HA H 1 4.23 0.005 . 1 . . . . 44 LEU HA . 6806 1 531 . 1 1 44 44 LEU HB2 H 1 1.80 0.005 . 2 . . . . 44 LEU HB2 . 6806 1 532 . 1 1 44 44 LEU HB3 H 1 1.29 0.005 . 2 . . . . 44 LEU HB3 . 6806 1 533 . 1 1 44 44 LEU HG H 1 1.86 0.005 . 1 . . . . 44 LEU HG . 6806 1 534 . 1 1 44 44 LEU HD11 H 1 0.81 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 535 . 1 1 44 44 LEU HD12 H 1 0.81 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 536 . 1 1 44 44 LEU HD13 H 1 0.81 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 537 . 1 1 44 44 LEU HD21 H 1 1.08 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 538 . 1 1 44 44 LEU HD22 H 1 1.08 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 539 . 1 1 44 44 LEU HD23 H 1 1.08 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 540 . 1 1 44 44 LEU C C 13 178.3 0.05 . 1 . . . . 44 LEU C . 6806 1 541 . 1 1 44 44 LEU CA C 13 57.8 0.05 . 1 . . . . 44 LEU CA . 6806 1 542 . 1 1 44 44 LEU CB C 13 41.5 0.05 . 1 . . . . 44 LEU CB . 6806 1 543 . 1 1 44 44 LEU CG C 13 27.5 0.05 . 1 . . . . 44 LEU CG . 6806 1 544 . 1 1 44 44 LEU CD1 C 13 25.9 0.05 . 1 . . . . 44 LEU CD1 . 6806 1 545 . 1 1 44 44 LEU CD2 C 13 23.2 0.05 . 1 . . . . 44 LEU CD2 . 6806 1 546 . 1 1 44 44 LEU N N 15 122.4 0.05 . 1 . . . . 44 LEU N . 6806 1 547 . 1 1 45 45 LEU H H 1 8.34 0.005 . 1 . . . . 45 LEU H . 6806 1 548 . 1 1 45 45 LEU HA H 1 3.82 0.005 . 1 . . . . 45 LEU HA . 6806 1 549 . 1 1 45 45 LEU HB2 H 1 1.99 0.005 . 2 . . . . 45 LEU HB2 . 6806 1 550 . 1 1 45 45 LEU HB3 H 1 1.44 0.005 . 2 . . . . 45 LEU HB3 . 6806 1 551 . 1 1 45 45 LEU HG H 1 1.48 0.005 . 1 . . . . 45 LEU HG . 6806 1 552 . 1 1 45 45 LEU HD11 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 553 . 1 1 45 45 LEU HD12 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 554 . 1 1 45 45 LEU HD13 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 555 . 1 1 45 45 LEU HD21 H 1 0.91 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 556 . 1 1 45 45 LEU HD22 H 1 0.91 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 557 . 1 1 45 45 LEU HD23 H 1 0.91 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 558 . 1 1 45 45 LEU C C 13 177.8 0.05 . 1 . . . . 45 LEU C . 6806 1 559 . 1 1 45 45 LEU CA C 13 58.2 0.05 . 1 . . . . 45 LEU CA . 6806 1 560 . 1 1 45 45 LEU CB C 13 41.7 0.05 . 1 . . . . 45 LEU CB . 6806 1 561 . 1 1 45 45 LEU CG C 13 27.1 0.05 . 1 . . . . 45 LEU CG . 6806 1 562 . 1 1 45 45 LEU CD1 C 13 23.8 0.05 . 1 . . . . 45 LEU CD1 . 6806 1 563 . 1 1 45 45 LEU CD2 C 13 26.1 0.05 . 1 . . . . 45 LEU CD2 . 6806 1 564 . 1 1 45 45 LEU N N 15 120.8 0.05 . 1 . . . . 45 LEU N . 6806 1 565 . 1 1 46 46 ALA H H 1 7.51 0.005 . 1 . . . . 46 ALA H . 6806 1 566 . 1 1 46 46 ALA HA H 1 4.04 0.005 . 1 . . . . 46 ALA HA . 6806 1 567 . 1 1 46 46 ALA HB1 H 1 1.55 0.005 . 1 . . . . 46 ALA HB . 6806 1 568 . 1 1 46 46 ALA HB2 H 1 1.55 0.005 . 1 . . . . 46 ALA HB . 6806 1 569 . 1 1 46 46 ALA HB3 H 1 1.55 0.005 . 1 . . . . 46 ALA HB . 6806 1 570 . 1 1 46 46 ALA C C 13 181.3 0.05 . 1 . . . . 46 ALA C . 6806 1 571 . 1 1 46 46 ALA CA C 13 55.4 0.05 . 1 . . . . 46 ALA CA . 6806 1 572 . 1 1 46 46 ALA CB C 13 17.8 0.05 . 1 . . . . 46 ALA CB . 6806 1 573 . 1 1 46 46 ALA N N 15 120.4 0.05 . 1 . . . . 46 ALA N . 6806 1 574 . 1 1 47 47 GLU H H 1 8.07 0.005 . 1 . . . . 47 GLU H . 6806 1 575 . 1 1 47 47 GLU HA H 1 4.04 0.005 . 1 . . . . 47 GLU HA . 6806 1 576 . 1 1 47 47 GLU HB2 H 1 2.30 0.005 . 1 . . . . 47 GLU HB2 . 6806 1 577 . 1 1 47 47 GLU HB3 H 1 2.30 0.005 . 1 . . . . 47 GLU HB3 . 6806 1 578 . 1 1 47 47 GLU HG2 H 1 2.48 0.005 . 2 . . . . 47 GLU HG2 . 6806 1 579 . 1 1 47 47 GLU HG3 H 1 2.44 0.005 . 2 . . . . 47 GLU HG3 . 6806 1 580 . 1 1 47 47 GLU C C 13 179.1 0.05 . 1 . . . . 47 GLU C . 6806 1 581 . 1 1 47 47 GLU CA C 13 59.3 0.05 . 1 . . . . 47 GLU CA . 6806 1 582 . 1 1 47 47 GLU CB C 13 29.6 0.05 . 1 . . . . 47 GLU CB . 6806 1 583 . 1 1 47 47 GLU CG C 13 35.8 0.05 . 1 . . . . 47 GLU CG . 6806 1 584 . 1 1 47 47 GLU N N 15 120.4 0.05 . 1 . . . . 47 GLU N . 6806 1 585 . 1 1 48 48 ALA H H 1 8.65 0.005 . 1 . . . . 48 ALA H . 6806 1 586 . 1 1 48 48 ALA HA H 1 3.66 0.005 . 1 . . . . 48 ALA HA . 6806 1 587 . 1 1 48 48 ALA HB1 H 1 0.51 0.005 . 1 . . . . 48 ALA HB . 6806 1 588 . 1 1 48 48 ALA HB2 H 1 0.51 0.005 . 1 . . . . 48 ALA HB . 6806 1 589 . 1 1 48 48 ALA HB3 H 1 0.51 0.005 . 1 . . . . 48 ALA HB . 6806 1 590 . 1 1 48 48 ALA C C 13 179.6 0.05 . 1 . . . . 48 ALA C . 6806 1 591 . 1 1 48 48 ALA CA C 13 55.4 0.05 . 1 . . . . 48 ALA CA . 6806 1 592 . 1 1 48 48 ALA CB C 13 18.1 0.05 . 1 . . . . 48 ALA CB . 6806 1 593 . 1 1 48 48 ALA N N 15 124.8 0.05 . 1 . . . . 48 ALA N . 6806 1 594 . 1 1 49 49 LYS H H 1 8.41 0.005 . 1 . . . . 49 LYS H . 6806 1 595 . 1 1 49 49 LYS HA H 1 3.74 0.005 . 1 . . . . 49 LYS HA . 6806 1 596 . 1 1 49 49 LYS HB2 H 1 1.93 0.005 . 2 . . . . 49 LYS HB2 . 6806 1 597 . 1 1 49 49 LYS HB3 H 1 1.78 0.005 . 2 . . . . 49 LYS HB3 . 6806 1 598 . 1 1 49 49 LYS HG2 H 1 1.63 0.005 . 2 . . . . 49 LYS HG2 . 6806 1 599 . 1 1 49 49 LYS HG3 H 1 1.29 0.005 . 2 . . . . 49 LYS HG3 . 6806 1 600 . 1 1 49 49 LYS HD2 H 1 1.61 0.005 . 1 . . . . 49 LYS HD2 . 6806 1 601 . 1 1 49 49 LYS HD3 H 1 1.61 0.005 . 1 . . . . 49 LYS HD3 . 6806 1 602 . 1 1 49 49 LYS HE2 H 1 2.90 0.005 . 2 . . . . 49 LYS HE2 . 6806 1 603 . 1 1 49 49 LYS HE3 H 1 2.81 0.005 . 2 . . . . 49 LYS HE3 . 6806 1 604 . 1 1 49 49 LYS C C 13 178.9 0.05 . 1 . . . . 49 LYS C . 6806 1 605 . 1 1 49 49 LYS CA C 13 60.5 0.05 . 1 . . . . 49 LYS CA . 6806 1 606 . 1 1 49 49 LYS CB C 13 32.1 0.05 . 1 . . . . 49 LYS CB . 6806 1 607 . 1 1 49 49 LYS CG C 13 26.6 0.05 . 1 . . . . 49 LYS CG . 6806 1 608 . 1 1 49 49 LYS CD C 13 29.3 0.05 . 1 . . . . 49 LYS CD . 6806 1 609 . 1 1 49 49 LYS CE C 13 41.8 0.05 . 1 . . . . 49 LYS CE . 6806 1 610 . 1 1 49 49 LYS N N 15 118.8 0.05 . 1 . . . . 49 LYS N . 6806 1 611 . 1 1 50 50 LYS H H 1 7.63 0.005 . 1 . . . . 50 LYS H . 6806 1 612 . 1 1 50 50 LYS HA H 1 4.11 0.005 . 1 . . . . 50 LYS HA . 6806 1 613 . 1 1 50 50 LYS HB2 H 1 1.94 0.005 . 1 . . . . 50 LYS HB2 . 6806 1 614 . 1 1 50 50 LYS HB3 H 1 1.94 0.005 . 1 . . . . 50 LYS HB3 . 6806 1 615 . 1 1 50 50 LYS HG2 H 1 1.62 0.005 . 2 . . . . 50 LYS HG2 . 6806 1 616 . 1 1 50 50 LYS HG3 H 1 1.42 0.005 . 2 . . . . 50 LYS HG3 . 6806 1 617 . 1 1 50 50 LYS HD2 H 1 1.71 0.005 . 1 . . . . 50 LYS HD2 . 6806 1 618 . 1 1 50 50 LYS HD3 H 1 1.71 0.005 . 1 . . . . 50 LYS HD3 . 6806 1 619 . 1 1 50 50 LYS HE2 H 1 2.95 0.005 . 1 . . . . 50 LYS HE2 . 6806 1 620 . 1 1 50 50 LYS HE3 H 1 2.95 0.005 . 1 . . . . 50 LYS HE3 . 6806 1 621 . 1 1 50 50 LYS C C 13 179.8 0.05 . 1 . . . . 50 LYS C . 6806 1 622 . 1 1 50 50 LYS CA C 13 59.7 0.05 . 1 . . . . 50 LYS CA . 6806 1 623 . 1 1 50 50 LYS CB C 13 32.3 0.05 . 1 . . . . 50 LYS CB . 6806 1 624 . 1 1 50 50 LYS CG C 13 25.1 0.05 . 1 . . . . 50 LYS CG . 6806 1 625 . 1 1 50 50 LYS CD C 13 29.6 0.05 . 1 . . . . 50 LYS CD . 6806 1 626 . 1 1 50 50 LYS CE C 13 42 0.05 . 1 . . . . 50 LYS CE . 6806 1 627 . 1 1 50 50 LYS N N 15 120.9 0.05 . 1 . . . . 50 LYS N . 6806 1 628 . 1 1 51 51 LEU H H 1 7.99 0.005 . 1 . . . . 51 LEU H . 6806 1 629 . 1 1 51 51 LEU HA H 1 4.14 0.005 . 1 . . . . 51 LEU HA . 6806 1 630 . 1 1 51 51 LEU HB2 H 1 1.77 0.005 . 2 . . . . 51 LEU HB2 . 6806 1 631 . 1 1 51 51 LEU HB3 H 1 1.72 0.005 . 2 . . . . 51 LEU HB3 . 6806 1 632 . 1 1 51 51 LEU HG H 1 1.52 0.005 . 1 . . . . 51 LEU HG . 6806 1 633 . 1 1 51 51 LEU HD11 H 1 0.95 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 634 . 1 1 51 51 LEU HD12 H 1 0.95 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 635 . 1 1 51 51 LEU HD13 H 1 0.95 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 636 . 1 1 51 51 LEU HD21 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 637 . 1 1 51 51 LEU HD22 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 638 . 1 1 51 51 LEU HD23 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 639 . 1 1 51 51 LEU C C 13 178.0 0.05 . 1 . . . . 51 LEU C . 6806 1 640 . 1 1 51 51 LEU CA C 13 57.5 0.05 . 1 . . . . 51 LEU CA . 6806 1 641 . 1 1 51 51 LEU CB C 13 42.3 0.05 . 1 . . . . 51 LEU CB . 6806 1 642 . 1 1 51 51 LEU CG C 13 26.6 0.05 . 1 . . . . 51 LEU CG . 6806 1 643 . 1 1 51 51 LEU CD1 C 13 23.6 0.05 . 1 . . . . 51 LEU CD1 . 6806 1 644 . 1 1 51 51 LEU CD2 C 13 24.8 0.05 . 1 . . . . 51 LEU CD2 . 6806 1 645 . 1 1 51 51 LEU N N 15 123.4 0.05 . 1 . . . . 51 LEU N . 6806 1 646 . 1 1 52 52 ASN H H 1 8.63 0.005 . 1 . . . . 52 ASN H . 6806 1 647 . 1 1 52 52 ASN HA H 1 3.89 0.005 . 1 . . . . 52 ASN HA . 6806 1 648 . 1 1 52 52 ASN HB2 H 1 3.04 0.005 . 2 . . . . 52 ASN HB2 . 6806 1 649 . 1 1 52 52 ASN HB3 H 1 2.35 0.005 . 2 . . . . 52 ASN HB3 . 6806 1 650 . 1 1 52 52 ASN HD21 H 1 7.94 0.005 . 2 . . . . 52 ASN HD21 . 6806 1 651 . 1 1 52 52 ASN HD22 H 1 6.72 0.005 . 2 . . . . 52 ASN HD22 . 6806 1 652 . 1 1 52 52 ASN C C 13 177.7 0.05 . 1 . . . . 52 ASN C . 6806 1 653 . 1 1 52 52 ASN CA C 13 57.9 0.05 . 1 . . . . 52 ASN CA . 6806 1 654 . 1 1 52 52 ASN CB C 13 41.5 0.05 . 1 . . . . 52 ASN CB . 6806 1 655 . 1 1 52 52 ASN N N 15 117.6 0.05 . 1 . . . . 52 ASN N . 6806 1 656 . 1 1 52 52 ASN ND2 N 15 116.8 0.05 . 1 . . . . 52 ASN ND2 . 6806 1 657 . 1 1 53 53 ASP H H 1 8.10 0.005 . 1 . . . . 53 ASP H . 6806 1 658 . 1 1 53 53 ASP HA H 1 4.44 0.005 . 1 . . . . 53 ASP HA . 6806 1 659 . 1 1 53 53 ASP HB2 H 1 2.75 0.005 . 2 . . . . 53 ASP HB2 . 6806 1 660 . 1 1 53 53 ASP HB3 H 1 2.69 0.005 . 2 . . . . 53 ASP HB3 . 6806 1 661 . 1 1 53 53 ASP C C 13 178.9 0.05 . 1 . . . . 53 ASP C . 6806 1 662 . 1 1 53 53 ASP CA C 13 56.9 0.05 . 1 . . . . 53 ASP CA . 6806 1 663 . 1 1 53 53 ASP CB C 13 40.0 0.05 . 1 . . . . 53 ASP CB . 6806 1 664 . 1 1 53 53 ASP N N 15 119.6 0.05 . 1 . . . . 53 ASP N . 6806 1 665 . 1 1 54 54 ALA H H 1 8.00 0.005 . 1 . . . . 54 ALA H . 6806 1 666 . 1 1 54 54 ALA HA H 1 4.22 0.005 . 1 . . . . 54 ALA HA . 6806 1 667 . 1 1 54 54 ALA HB1 H 1 1.57 0.005 . 1 . . . . 54 ALA HB . 6806 1 668 . 1 1 54 54 ALA HB2 H 1 1.57 0.005 . 1 . . . . 54 ALA HB . 6806 1 669 . 1 1 54 54 ALA HB3 H 1 1.57 0.005 . 1 . . . . 54 ALA HB . 6806 1 670 . 1 1 54 54 ALA C C 13 179.3 0.05 . 1 . . . . 54 ALA C . 6806 1 671 . 1 1 54 54 ALA CA C 13 54.4 0.05 . 1 . . . . 54 ALA CA . 6806 1 672 . 1 1 54 54 ALA CB C 13 18.4 0.05 . 1 . . . . 54 ALA CB . 6806 1 673 . 1 1 54 54 ALA N N 15 123.7 0.05 . 1 . . . . 54 ALA N . 6806 1 674 . 1 1 55 55 GLN H H 1 7.48 0.005 . 1 . . . . 55 GLN H . 6806 1 675 . 1 1 55 55 GLN HA H 1 4.35 0.005 . 1 . . . . 55 GLN HA . 6806 1 676 . 1 1 55 55 GLN HB2 H 1 1.71 0.005 . 1 . . . . 55 GLN HB2 . 6806 1 677 . 1 1 55 55 GLN HB3 H 1 2.46 0.005 . 1 . . . . 55 GLN HB3 . 6806 1 678 . 1 1 55 55 GLN HG2 H 1 2.61 0.005 . 2 . . . . 55 GLN HG2 . 6806 1 679 . 1 1 55 55 GLN HG3 H 1 2.29 0.005 . 2 . . . . 55 GLN HG3 . 6806 1 680 . 1 1 55 55 GLN HE21 H 1 8.62 0.005 . 2 . . . . 55 GLN HE21 . 6806 1 681 . 1 1 55 55 GLN HE22 H 1 7.19 0.005 . 2 . . . . 55 GLN HE22 . 6806 1 682 . 1 1 55 55 GLN C C 13 174.1 0.05 . 1 . . . . 55 GLN C . 6806 1 683 . 1 1 55 55 GLN CA C 13 54.9 0.05 . 1 . . . . 55 GLN CA . 6806 1 684 . 1 1 55 55 GLN CB C 13 28.1 0.05 . 1 . . . . 55 GLN CB . 6806 1 685 . 1 1 55 55 GLN CG C 13 35.7 0.05 . 1 . . . . 55 GLN CG . 6806 1 686 . 1 1 55 55 GLN N N 15 115.7 0.05 . 1 . . . . 55 GLN N . 6806 1 687 . 1 1 55 55 GLN NE2 N 15 111.9 0.05 . 1 . . . . 55 GLN NE2 . 6806 1 688 . 1 1 56 56 ALA H H 1 7.08 0.005 . 1 . . . . 56 ALA H . 6806 1 689 . 1 1 56 56 ALA HA H 1 4.32 0.005 . 1 . . . . 56 ALA HA . 6806 1 690 . 1 1 56 56 ALA HB1 H 1 1.41 0.005 . 1 . . . . 56 ALA HB . 6806 1 691 . 1 1 56 56 ALA HB2 H 1 1.41 0.005 . 1 . . . . 56 ALA HB . 6806 1 692 . 1 1 56 56 ALA HB3 H 1 1.41 0.005 . 1 . . . . 56 ALA HB . 6806 1 693 . 1 1 56 56 ALA C C 13 175.6 0.05 . 1 . . . . 56 ALA C . 6806 1 694 . 1 1 56 56 ALA CA C 13 51.0 0.05 . 1 . . . . 56 ALA CA . 6806 1 695 . 1 1 56 56 ALA CB C 13 17.9 0.05 . 1 . . . . 56 ALA CB . 6806 1 696 . 1 1 56 56 ALA N N 15 125.1 0.05 . 1 . . . . 56 ALA N . 6806 1 697 . 1 1 57 57 PRO HA H 1 4.40 0.005 . 1 . . . . 57 PRO HA . 6806 1 698 . 1 1 57 57 PRO HB2 H 1 2.28 0.005 . 2 . . . . 57 PRO HB2 . 6806 1 699 . 1 1 57 57 PRO HB3 H 1 1.94 0.005 . 2 . . . . 57 PRO HB3 . 6806 1 700 . 1 1 57 57 PRO HG2 H 1 2.06 0.005 . 2 . . . . 57 PRO HG2 . 6806 1 701 . 1 1 57 57 PRO HG3 H 1 2.04 0.005 . 2 . . . . 57 PRO HG3 . 6806 1 702 . 1 1 57 57 PRO HD2 H 1 3.76 0.005 . 2 . . . . 57 PRO HD2 . 6806 1 703 . 1 1 57 57 PRO HD3 H 1 3.60 0.005 . 2 . . . . 57 PRO HD3 . 6806 1 704 . 1 1 57 57 PRO C C 13 176.1 0.05 . 1 . . . . 57 PRO C . 6806 1 705 . 1 1 57 57 PRO CA C 13 63.3 0.05 . 1 . . . . 57 PRO CA . 6806 1 706 . 1 1 57 57 PRO CB C 13 31.8 0.05 . 1 . . . . 57 PRO CB . 6806 1 707 . 1 1 57 57 PRO CG C 13 27.5 0.05 . 1 . . . . 57 PRO CG . 6806 1 708 . 1 1 57 57 PRO CD C 13 50.5 0.05 . 1 . . . . 57 PRO CD . 6806 1 709 . 1 1 58 58 LYS H H 1 8.02 0.005 . 1 . . . . 58 LYS H . 6806 1 710 . 1 1 58 58 LYS HA H 1 4.16 0.005 . 1 . . . . 58 LYS HA . 6806 1 711 . 1 1 58 58 LYS HB2 H 1 1.68 0.005 . 1 . . . . 58 LYS HB2 . 6806 1 712 . 1 1 58 58 LYS HB3 H 1 1.83 0.005 . 1 . . . . 58 LYS HB3 . 6806 1 713 . 1 1 58 58 LYS HG2 H 1 1.41 0.005 . 1 . . . . 58 LYS HG2 . 6806 1 714 . 1 1 58 58 LYS HG3 H 1 1.41 0.005 . 1 . . . . 58 LYS HG3 . 6806 1 715 . 1 1 58 58 LYS HD2 H 1 1.66 0.005 . 1 . . . . 58 LYS HD2 . 6806 1 716 . 1 1 58 58 LYS HD3 H 1 1.66 0.005 . 1 . . . . 58 LYS HD3 . 6806 1 717 . 1 1 58 58 LYS HE2 H 1 3.01 0.005 . 1 . . . . 58 LYS HE2 . 6806 1 718 . 1 1 58 58 LYS HE3 H 1 3.01 0.005 . 1 . . . . 58 LYS HE3 . 6806 1 719 . 1 1 58 58 LYS C C 13 181.5 0.05 . 1 . . . . 58 LYS C . 6806 1 720 . 1 1 58 58 LYS CA C 13 57.4 0.05 . 1 . . . . 58 LYS CA . 6806 1 721 . 1 1 58 58 LYS CB C 13 33.8 0.05 . 1 . . . . 58 LYS CB . 6806 1 722 . 1 1 58 58 LYS CG C 13 24.7 0.05 . 1 . . . . 58 LYS CG . 6806 1 723 . 1 1 58 58 LYS CD C 13 29.1 0.05 . 1 . . . . 58 LYS CD . 6806 1 724 . 1 1 58 58 LYS CE C 13 42.4 0.05 . 1 . . . . 58 LYS CE . 6806 1 725 . 1 1 58 58 LYS N N 15 128.0 0.05 . 1 . . . . 58 LYS N . 6806 1 726 . 2 2 1 1 VAL HA H 1 3.80 0.005 . 1 . . . . 1 VAL HA . 6806 1 727 . 2 2 1 1 VAL HB H 1 2.20 0.005 . 1 . . . . 1 VAL HB . 6806 1 728 . 2 2 1 1 VAL HG11 H 1 1.03 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 729 . 2 2 1 1 VAL HG12 H 1 1.03 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 730 . 2 2 1 1 VAL HG13 H 1 1.03 0.005 . 1 . . . . 1 VAL HG1 . 6806 1 731 . 2 2 1 1 VAL HG21 H 1 1.05 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 732 . 2 2 1 1 VAL HG22 H 1 1.05 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 733 . 2 2 1 1 VAL HG23 H 1 1.05 0.005 . 1 . . . . 1 VAL HG2 . 6806 1 734 . 2 2 1 1 VAL C C 13 175.3 0.05 . 1 . . . . 1 VAL C . 6806 1 735 . 2 2 1 1 VAL CA C 13 61.3 0.05 . 1 . . . . 1 VAL CA . 6806 1 736 . 2 2 1 1 VAL CB C 13 32.8 0.05 . 1 . . . . 1 VAL CB . 6806 1 737 . 2 2 1 1 VAL CG1 C 13 20.4 0.05 . 1 . . . . 1 VAL CG1 . 6806 1 738 . 2 2 1 1 VAL CG2 C 13 19.9 0.05 . 1 . . . . 1 VAL CG2 . 6806 1 739 . 2 2 2 2 ASP H H 1 8.53 0.005 . 1 . . . . 2 ASP H . 6806 1 740 . 2 2 2 2 ASP HA H 1 4.75 0.005 . 1 . . . . 2 ASP HA . 6806 1 741 . 2 2 2 2 ASP HB2 H 1 2.75 0.005 . 2 . . . . 2 ASP HB2 . 6806 1 742 . 2 2 2 2 ASP HB3 H 1 2.66 0.005 . 2 . . . . 2 ASP HB3 . 6806 1 743 . 2 2 2 2 ASP C C 13 175.7 0.05 . 1 . . . . 2 ASP C . 6806 1 744 . 2 2 2 2 ASP CA C 13 54.2 0.05 . 1 . . . . 2 ASP CA . 6806 1 745 . 2 2 2 2 ASP CB C 13 41.7 0.05 . 1 . . . . 2 ASP CB . 6806 1 746 . 2 2 2 2 ASP N N 15 125.9 0.05 . 1 . . . . 2 ASP N . 6806 1 747 . 2 2 3 3 ASN H H 1 8.58 0.005 . 1 . . . . 3 ASN H . 6806 1 748 . 2 2 3 3 ASN HA H 1 4.71 0.005 . 1 . . . . 3 ASN HA . 6806 1 749 . 2 2 3 3 ASN HB2 H 1 2.85 0.005 . 1 . . . . 3 ASN HB2 . 6806 1 750 . 2 2 3 3 ASN HB3 H 1 2.85 0.005 . 1 . . . . 3 ASN HB3 . 6806 1 751 . 2 2 3 3 ASN HD21 H 1 6.89 0.005 . 2 . . . . 3 ASN HD21 . 6806 1 752 . 2 2 3 3 ASN HD22 H 1 7.64 0.005 . 2 . . . . 3 ASN HD22 . 6806 1 753 . 2 2 3 3 ASN C C 13 176.3 0.05 . 1 . . . . 3 ASN C . 6806 1 754 . 2 2 3 3 ASN CA C 13 53.4 0.05 . 1 . . . . 3 ASN CA . 6806 1 755 . 2 2 3 3 ASN CB C 13 38.9 0.05 . 1 . . . . 3 ASN CB . 6806 1 756 . 2 2 3 3 ASN N N 15 121.9 0.05 . 1 . . . . 3 ASN N . 6806 1 757 . 2 2 3 3 ASN ND2 N 15 113.2 0.05 . 1 . . . . 3 ASN ND2 . 6806 1 758 . 2 2 4 4 LYS H H 1 8.46 0.005 . 1 . . . . 4 LYS H . 6806 1 759 . 2 2 4 4 LYS HA H 1 4.07 0.005 . 1 . . . . 4 LYS HA . 6806 1 760 . 2 2 4 4 LYS HB2 H 1 1.57 0.005 . 1 . . . . 4 LYS HB2 . 6806 1 761 . 2 2 4 4 LYS HB3 H 1 1.72 0.005 . 1 . . . . 4 LYS HB3 . 6806 1 762 . 2 2 4 4 LYS HG2 H 1 1.05 0.005 . 1 . . . . 4 LYS HG2 . 6806 1 763 . 2 2 4 4 LYS HG3 H 1 1.05 0.005 . 1 . . . . 4 LYS HG3 . 6806 1 764 . 2 2 4 4 LYS HD2 H 1 1.51 0.005 . 1 . . . . 4 LYS HD2 . 6806 1 765 . 2 2 4 4 LYS HD3 H 1 1.51 0.005 . 1 . . . . 4 LYS HD3 . 6806 1 766 . 2 2 4 4 LYS HE2 H 1 2.81 0.005 . 1 . . . . 4 LYS HE2 . 6806 1 767 . 2 2 4 4 LYS HE3 H 1 2.81 0.005 . 1 . . . . 4 LYS HE3 . 6806 1 768 . 2 2 4 4 LYS C C 13 177.4 0.05 . 1 . . . . 4 LYS C . 6806 1 769 . 2 2 4 4 LYS CA C 13 58.5 0.05 . 1 . . . . 4 LYS CA . 6806 1 770 . 2 2 4 4 LYS CB C 13 32.1 0.05 . 1 . . . . 4 LYS CB . 6806 1 771 . 2 2 4 4 LYS CG C 13 24.2 0.05 . 1 . . . . 4 LYS CG . 6806 1 772 . 2 2 4 4 LYS CD C 13 29.1 0.05 . 1 . . . . 4 LYS CD . 6806 1 773 . 2 2 4 4 LYS CE C 13 41.9 0.05 . 1 . . . . 4 LYS CE . 6806 1 774 . 2 2 4 4 LYS N N 15 122.8 0.05 . 1 . . . . 4 LYS N . 6806 1 775 . 2 2 5 5 PHE H H 1 8.35 0.005 . 1 . . . . 5 PHE H . 6806 1 776 . 2 2 5 5 PHE HA H 1 4.60 0.005 . 1 . . . . 5 PHE HA . 6806 1 777 . 2 2 5 5 PHE HB2 H 1 2.85 0.005 . 1 . . . . 5 PHE HB2 . 6806 1 778 . 2 2 5 5 PHE HB3 H 1 3.17 0.005 . 1 . . . . 5 PHE HB3 . 6806 1 779 . 2 2 5 5 PHE HD1 H 1 7.20 0.005 . 1 . . . . 5 PHE HD1 . 6806 1 780 . 2 2 5 5 PHE HD2 H 1 7.20 0.005 . 1 . . . . 5 PHE HD2 . 6806 1 781 . 2 2 5 5 PHE HE1 H 1 7.35 0.005 . 1 . . . . 5 PHE HE1 . 6806 1 782 . 2 2 5 5 PHE HE2 H 1 7.35 0.005 . 1 . . . . 5 PHE HE2 . 6806 1 783 . 2 2 5 5 PHE HZ H 1 7.29 0.005 . 1 . . . . 5 PHE HZ . 6806 1 784 . 2 2 5 5 PHE C C 13 176.2 0.05 . 1 . . . . 5 PHE C . 6806 1 785 . 2 2 5 5 PHE CA C 13 58.8 0.05 . 1 . . . . 5 PHE CA . 6806 1 786 . 2 2 5 5 PHE CB C 13 38.0 0.05 . 1 . . . . 5 PHE CB . 6806 1 787 . 2 2 5 5 PHE N N 15 118.3 0.05 . 1 . . . . 5 PHE N . 6806 1 788 . 2 2 6 6 ASN H H 1 7.81 0.005 . 1 . . . . 6 ASN H . 6806 1 789 . 2 2 6 6 ASN HA H 1 4.24 0.005 . 1 . . . . 6 ASN HA . 6806 1 790 . 2 2 6 6 ASN HB2 H 1 2.80 0.005 . 2 . . . . 6 ASN HB2 . 6806 1 791 . 2 2 6 6 ASN HB3 H 1 2.74 0.005 . 2 . . . . 6 ASN HB3 . 6806 1 792 . 2 2 6 6 ASN HD21 H 1 6.932 0.005 . 1 . . . . 6 ASN HD21 . 6806 1 793 . 2 2 6 6 ASN HD22 H 1 7.711 0.005 . 1 . . . . 6 ASN HD22 . 6806 1 794 . 2 2 6 6 ASN C C 13 177.5 0.05 . 1 . . . . 6 ASN C . 6806 1 795 . 2 2 6 6 ASN CA C 13 56.0 0.05 . 1 . . . . 6 ASN CA . 6806 1 796 . 2 2 6 6 ASN CB C 13 38.1 0.05 . 1 . . . . 6 ASN CB . 6806 1 797 . 2 2 6 6 ASN N N 15 120.5 0.05 . 1 . . . . 6 ASN N . 6806 1 798 . 2 2 6 6 ASN ND2 N 15 113.3 0.05 . 1 . . . . 6 ASN ND2 . 6806 1 799 . 2 2 7 7 LYS H H 1 8.29 0.005 . 1 . . . . 7 LYS H . 6806 1 800 . 2 2 7 7 LYS HA H 1 3.92 0.005 . 1 . . . . 7 LYS HA . 6806 1 801 . 2 2 7 7 LYS HB2 H 1 1.87 0.005 . 2 . . . . 7 LYS HB2 . 6806 1 802 . 2 2 7 7 LYS HB3 H 1 1.82 0.005 . 2 . . . . 7 LYS HB3 . 6806 1 803 . 2 2 7 7 LYS HG2 H 1 1.49 0.005 . 2 . . . . 7 LYS HG2 . 6806 1 804 . 2 2 7 7 LYS HG3 H 1 1.37 0.005 . 2 . . . . 7 LYS HG3 . 6806 1 805 . 2 2 7 7 LYS HD2 H 1 1.43 0.005 . 1 . . . . 7 LYS HD2 . 6806 1 806 . 2 2 7 7 LYS HD3 H 1 1.43 0.005 . 1 . . . . 7 LYS HD3 . 6806 1 807 . 2 2 7 7 LYS HE2 H 1 2.94 0.005 . 1 . . . . 7 LYS HE2 . 6806 1 808 . 2 2 7 7 LYS HE3 H 1 2.94 0.005 . 1 . . . . 7 LYS HE3 . 6806 1 809 . 2 2 7 7 LYS C C 13 178.1 0.05 . 1 . . . . 7 LYS C . 6806 1 810 . 2 2 7 7 LYS CA C 13 59.5 0.05 . 1 . . . . 7 LYS CA . 6806 1 811 . 2 2 7 7 LYS CB C 13 32.0 0.05 . 1 . . . . 7 LYS CB . 6806 1 812 . 2 2 7 7 LYS CG C 13 25.0 0.05 . 1 . . . . 7 LYS CG . 6806 1 813 . 2 2 7 7 LYS CD C 13 28.9 0.05 . 1 . . . . 7 LYS CD . 6806 1 814 . 2 2 7 7 LYS CE C 13 42.0 0.05 . 1 . . . . 7 LYS CE . 6806 1 815 . 2 2 7 7 LYS N N 15 122.2 0.05 . 1 . . . . 7 LYS N . 6806 1 816 . 2 2 8 8 GLU H H 1 8.36 0.005 . 1 . . . . 8 GLU H . 6806 1 817 . 2 2 8 8 GLU HA H 1 3.86 0.005 . 1 . . . . 8 GLU HA . 6806 1 818 . 2 2 8 8 GLU HB2 H 1 2.03 0.005 . 2 . . . . 8 GLU HB2 . 6806 1 819 . 2 2 8 8 GLU HB3 H 1 2.17 0.005 . 2 . . . . 8 GLU HB3 . 6806 1 820 . 2 2 8 8 GLU HG2 H 1 2.39 0.005 . 1 . . . . 8 GLU HG2 . 6806 1 821 . 2 2 8 8 GLU HG3 H 1 2.39 0.005 . 1 . . . . 8 GLU HG3 . 6806 1 822 . 2 2 8 8 GLU C C 13 179.1 0.05 . 1 . . . . 8 GLU C . 6806 1 823 . 2 2 8 8 GLU CA C 13 59.8 0.05 . 1 . . . . 8 GLU CA . 6806 1 824 . 2 2 8 8 GLU CB C 13 28.9 0.05 . 1 . . . . 8 GLU CB . 6806 1 825 . 2 2 8 8 GLU CG C 13 37.0 0.05 . 1 . . . . 8 GLU CG . 6806 1 826 . 2 2 8 8 GLU N N 15 120.1 0.05 . 1 . . . . 8 GLU N . 6806 1 827 . 2 2 9 9 ARG H H 1 8.07 0.005 . 1 . . . . 9 ARG H . 6806 1 828 . 2 2 9 9 ARG HA H 1 4.02 0.005 . 1 . . . . 9 ARG HA . 6806 1 829 . 2 2 9 9 ARG HB2 H 1 1.41 0.005 . 2 . . . . 9 ARG HB2 . 6806 1 830 . 2 2 9 9 ARG HB3 H 1 1.80 0.005 . 2 . . . . 9 ARG HB3 . 6806 1 831 . 2 2 9 9 ARG HG2 H 1 1.16 0.005 . 1 . . . . 9 ARG HG2 . 6806 1 832 . 2 2 9 9 ARG HG3 H 1 1.16 0.005 . 1 . . . . 9 ARG HG3 . 6806 1 833 . 2 2 9 9 ARG HD2 H 1 2.38 0.005 . 2 . . . . 9 ARG HD2 . 6806 1 834 . 2 2 9 9 ARG HD3 H 1 1.84 0.005 . 2 . . . . 9 ARG HD3 . 6806 1 835 . 2 2 9 9 ARG HE H 1 6.61 0.005 . 1 . . . . 9 ARG HE . 6806 1 836 . 2 2 9 9 ARG C C 13 176.8 0.05 . 1 . . . . 9 ARG C . 6806 1 837 . 2 2 9 9 ARG CA C 13 59.0 0.05 . 1 . . . . 9 ARG CA . 6806 1 838 . 2 2 9 9 ARG CB C 13 29.6 0.05 . 1 . . . . 9 ARG CB . 6806 1 839 . 2 2 9 9 ARG CG C 13 25.4 0.05 . 1 . . . . 9 ARG CG . 6806 1 840 . 2 2 9 9 ARG CD C 13 43.5 0.05 . 1 . . . . 9 ARG CD . 6806 1 841 . 2 2 9 9 ARG N N 15 120.8 0.05 . 1 . . . . 9 ARG N . 6806 1 842 . 2 2 9 9 ARG NE N 15 82.5 0.05 . 1 . . . . 9 ARG NE . 6806 1 843 . 2 2 10 10 VAL H H 1 7.20 0.005 . 1 . . . . 10 VAL H . 6806 1 844 . 2 2 10 10 VAL HA H 1 3.26 0.005 . 1 . . . . 10 VAL HA . 6806 1 845 . 2 2 10 10 VAL HB H 1 1.93 0.005 . 1 . . . . 10 VAL HB . 6806 1 846 . 2 2 10 10 VAL HG11 H 1 0.75 0.005 . 1 . . . . 10 VAL HG1 . 6806 1 847 . 2 2 10 10 VAL HG12 H 1 0.75 0.005 . 1 . . . . 10 VAL HG1 . 6806 1 848 . 2 2 10 10 VAL HG13 H 1 0.75 0.005 . 1 . . . . 10 VAL HG1 . 6806 1 849 . 2 2 10 10 VAL HG21 H 1 0.73 0.005 . 1 . . . . 10 VAL HG2 . 6806 1 850 . 2 2 10 10 VAL HG22 H 1 0.73 0.005 . 1 . . . . 10 VAL HG2 . 6806 1 851 . 2 2 10 10 VAL HG23 H 1 0.73 0.005 . 1 . . . . 10 VAL HG2 . 6806 1 852 . 2 2 10 10 VAL C C 13 177.9 0.05 . 1 . . . . 10 VAL C . 6806 1 853 . 2 2 10 10 VAL CA C 13 67.0 0.05 . 1 . . . . 10 VAL CA . 6806 1 854 . 2 2 10 10 VAL CB C 13 31.3 0.05 . 1 . . . . 10 VAL CB . 6806 1 855 . 2 2 10 10 VAL CG1 C 13 21.8 0.05 . 1 . . . . 10 VAL CG1 . 6806 1 856 . 2 2 10 10 VAL CG2 C 13 22.4 0.05 . 1 . . . . 10 VAL CG2 . 6806 1 857 . 2 2 10 10 VAL N N 15 117.9 0.05 . 1 . . . . 10 VAL N . 6806 1 858 . 2 2 11 11 ILE H H 1 7.63 0.005 . 1 . . . . 11 ILE H . 6806 1 859 . 2 2 11 11 ILE HA H 1 3.58 0.005 . 1 . . . . 11 ILE HA . 6806 1 860 . 2 2 11 11 ILE HB H 1 1.80 0.005 . 1 . . . . 11 ILE HB . 6806 1 861 . 2 2 11 11 ILE HG12 H 1 1.69 0.005 . 2 . . . . 11 ILE HG12 . 6806 1 862 . 2 2 11 11 ILE HG13 H 1 1.12 0.005 . 2 . . . . 11 ILE HG13 . 6806 1 863 . 2 2 11 11 ILE HG21 H 1 0.90 0.005 . 1 . . . . 11 ILE HG2 . 6806 1 864 . 2 2 11 11 ILE HG22 H 1 0.90 0.005 . 1 . . . . 11 ILE HG2 . 6806 1 865 . 2 2 11 11 ILE HG23 H 1 0.90 0.005 . 1 . . . . 11 ILE HG2 . 6806 1 866 . 2 2 11 11 ILE HD11 H 1 0.81 0.005 . 1 . . . . 11 ILE HD1 . 6806 1 867 . 2 2 11 11 ILE HD12 H 1 0.81 0.005 . 1 . . . . 11 ILE HD1 . 6806 1 868 . 2 2 11 11 ILE HD13 H 1 0.81 0.005 . 1 . . . . 11 ILE HD1 . 6806 1 869 . 2 2 11 11 ILE C C 13 178.3 0.05 . 1 . . . . 11 ILE C . 6806 1 870 . 2 2 11 11 ILE CA C 13 64.7 0.05 . 1 . . . . 11 ILE CA . 6806 1 871 . 2 2 11 11 ILE CB C 13 37.6 0.05 . 1 . . . . 11 ILE CB . 6806 1 872 . 2 2 11 11 ILE CG1 C 13 29.3 0.05 . 1 . . . . 11 ILE CG1 . 6806 1 873 . 2 2 11 11 ILE CG2 C 13 17.4 0.05 . 1 . . . . 11 ILE CG2 . 6806 1 874 . 2 2 11 11 ILE CD1 C 13 13.0 0.05 . 1 . . . . 11 ILE CD1 . 6806 1 875 . 2 2 11 11 ILE N N 15 120.4 0.05 . 1 . . . . 11 ILE N . 6806 1 876 . 2 2 12 12 ALA H H 1 8.05 0.005 . 1 . . . . 12 ALA H . 6806 1 877 . 2 2 12 12 ALA HA H 1 3.96 0.005 . 1 . . . . 12 ALA HA . 6806 1 878 . 2 2 12 12 ALA HB1 H 1 1.37 0.005 . 1 . . . . 12 ALA HB . 6806 1 879 . 2 2 12 12 ALA HB2 H 1 1.37 0.005 . 1 . . . . 12 ALA HB . 6806 1 880 . 2 2 12 12 ALA HB3 H 1 1.37 0.005 . 1 . . . . 12 ALA HB . 6806 1 881 . 2 2 12 12 ALA C C 13 179.3 0.05 . 1 . . . . 12 ALA C . 6806 1 882 . 2 2 12 12 ALA CA C 13 55.3 0.05 . 1 . . . . 12 ALA CA . 6806 1 883 . 2 2 12 12 ALA CB C 13 17.7 0.05 . 1 . . . . 12 ALA CB . 6806 1 884 . 2 2 12 12 ALA N N 15 122.1 0.05 . 1 . . . . 12 ALA N . 6806 1 885 . 2 2 13 13 ILE H H 1 8.28 0.005 . 1 . . . . 13 ILE H . 6806 1 886 . 2 2 13 13 ILE HA H 1 3.23 0.005 . 1 . . . . 13 ILE HA . 6806 1 887 . 2 2 13 13 ILE HB H 1 1.84 0.005 . 1 . . . . 13 ILE HB . 6806 1 888 . 2 2 13 13 ILE HG12 H 1 2.05 0.005 . 2 . . . . 13 ILE HG12 . 6806 1 889 . 2 2 13 13 ILE HG13 H 1 0.54 0.005 . 2 . . . . 13 ILE HG13 . 6806 1 890 . 2 2 13 13 ILE HG21 H 1 0.85 0.005 . 1 . . . . 13 ILE HG2 . 6806 1 891 . 2 2 13 13 ILE HG22 H 1 0.85 0.005 . 1 . . . . 13 ILE HG2 . 6806 1 892 . 2 2 13 13 ILE HG23 H 1 0.85 0.005 . 1 . . . . 13 ILE HG2 . 6806 1 893 . 2 2 13 13 ILE HD11 H 1 0.69 0.005 . 1 . . . . 13 ILE HD1 . 6806 1 894 . 2 2 13 13 ILE HD12 H 1 0.69 0.005 . 1 . . . . 13 ILE HD1 . 6806 1 895 . 2 2 13 13 ILE HD13 H 1 0.69 0.005 . 1 . . . . 13 ILE HD1 . 6806 1 896 . 2 2 13 13 ILE C C 13 177.5 0.05 . 1 . . . . 13 ILE C . 6806 1 897 . 2 2 13 13 ILE CA C 13 66.5 0.05 . 1 . . . . 13 ILE CA . 6806 1 898 . 2 2 13 13 ILE CB C 13 37.4 0.05 . 1 . . . . 13 ILE CB . 6806 1 899 . 2 2 13 13 ILE CG1 C 13 30.8 0.05 . 1 . . . . 13 ILE CG1 . 6806 1 900 . 2 2 13 13 ILE CG2 C 13 18.4 0.05 . 1 . . . . 13 ILE CG2 . 6806 1 901 . 2 2 13 13 ILE CD1 C 13 16.1 0.05 . 1 . . . . 13 ILE CD1 . 6806 1 902 . 2 2 13 13 ILE N N 15 117.2 0.05 . 1 . . . . 13 ILE N . 6806 1 903 . 2 2 14 14 GLY H H 1 8.04 0.005 . 1 . . . . 14 GLY H . 6806 1 904 . 2 2 14 14 GLY HA2 H 1 4.09 0.005 . 2 . . . . 14 GLY HA2 . 6806 1 905 . 2 2 14 14 GLY HA3 H 1 3.24 0.005 . 2 . . . . 14 GLY HA3 . 6806 1 906 . 2 2 14 14 GLY C C 13 174.2 0.05 . 1 . . . . 14 GLY C . 6806 1 907 . 2 2 14 14 GLY CA C 13 47.9 0.05 . 1 . . . . 14 GLY CA . 6806 1 908 . 2 2 14 14 GLY N N 15 107.0 0.05 . 1 . . . . 14 GLY N . 6806 1 909 . 2 2 15 15 GLU H H 1 7.74 0.005 . 1 . . . . 15 GLU H . 6806 1 910 . 2 2 15 15 GLU HA H 1 3.89 0.005 . 1 . . . . 15 GLU HA . 6806 1 911 . 2 2 15 15 GLU HB2 H 1 1.95 0.005 . 1 . . . . 15 GLU HB2 . 6806 1 912 . 2 2 15 15 GLU HB3 H 1 2.04 0.005 . 1 . . . . 15 GLU HB3 . 6806 1 913 . 2 2 15 15 GLU HG2 H 1 2.31 0.005 . 2 . . . . 15 GLU HG2 . 6806 1 914 . 2 2 15 15 GLU HG3 H 1 2.16 0.005 . 2 . . . . 15 GLU HG3 . 6806 1 915 . 2 2 15 15 GLU C C 13 180.7 0.05 . 1 . . . . 15 GLU C . 6806 1 916 . 2 2 15 15 GLU CA C 13 59.5 0.05 . 1 . . . . 15 GLU CA . 6806 1 917 . 2 2 15 15 GLU CB C 13 30.1 0.05 . 1 . . . . 15 GLU CB . 6806 1 918 . 2 2 15 15 GLU CG C 13 36.4 0.05 . 1 . . . . 15 GLU CG . 6806 1 919 . 2 2 15 15 GLU N N 15 117.9 0.05 . 1 . . . . 15 GLU N . 6806 1 920 . 2 2 16 16 ILE H H 1 8.54 0.005 . 1 . . . . 16 ILE H . 6806 1 921 . 2 2 16 16 ILE HA H 1 3.42 0.005 . 1 . . . . 16 ILE HA . 6806 1 922 . 2 2 16 16 ILE HB H 1 1.74 0.005 . 1 . . . . 16 ILE HB . 6806 1 923 . 2 2 16 16 ILE HG12 H 1 1.82 0.005 . 2 . . . . 16 ILE HG12 . 6806 1 924 . 2 2 16 16 ILE HG13 H 1 0.38 0.005 . 2 . . . . 16 ILE HG13 . 6806 1 925 . 2 2 16 16 ILE HG21 H 1 0.75 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 926 . 2 2 16 16 ILE HG22 H 1 0.75 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 927 . 2 2 16 16 ILE HG23 H 1 0.75 0.005 . 1 . . . . 16 ILE HG2 . 6806 1 928 . 2 2 16 16 ILE HD11 H 1 0.33 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 929 . 2 2 16 16 ILE HD12 H 1 0.33 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 930 . 2 2 16 16 ILE HD13 H 1 0.33 0.005 . 1 . . . . 16 ILE HD1 . 6806 1 931 . 2 2 16 16 ILE C C 13 178.0 0.05 . 1 . . . . 16 ILE C . 6806 1 932 . 2 2 16 16 ILE CA C 13 65.4 0.05 . 1 . . . . 16 ILE CA . 6806 1 933 . 2 2 16 16 ILE CB C 13 37.9 0.05 . 1 . . . . 16 ILE CB . 6806 1 934 . 2 2 16 16 ILE CG1 C 13 30.4 0.05 . 1 . . . . 16 ILE CG1 . 6806 1 935 . 2 2 16 16 ILE CG2 C 13 17.3 0.05 . 1 . . . . 16 ILE CG2 . 6806 1 936 . 2 2 16 16 ILE CD1 C 13 12.8 0.05 . 1 . . . . 16 ILE CD1 . 6806 1 937 . 2 2 16 16 ILE N N 15 122.0 0.05 . 1 . . . . 16 ILE N . 6806 1 938 . 2 2 17 17 MET H H 1 8.25 0.005 . 1 . . . . 17 MET H . 6806 1 939 . 2 2 17 17 MET HA H 1 4.15 0.005 . 1 . . . . 17 MET HA . 6806 1 940 . 2 2 17 17 MET HB2 H 1 2.31 0.005 . 1 . . . . 17 MET HB2 . 6806 1 941 . 2 2 17 17 MET HB3 H 1 2.31 0.005 . 1 . . . . 17 MET HB3 . 6806 1 942 . 2 2 17 17 MET HG2 H 1 2.60 0.005 . 2 . . . . 17 MET HG2 . 6806 1 943 . 2 2 17 17 MET HG3 H 1 2.47 0.005 . 2 . . . . 17 MET HG3 . 6806 1 944 . 2 2 17 17 MET HE1 H 1 2.17 0.005 . 1 . . . . 17 MET HE . 6806 1 945 . 2 2 17 17 MET HE2 H 1 2.17 0.005 . 1 . . . . 17 MET HE . 6806 1 946 . 2 2 17 17 MET HE3 H 1 2.17 0.005 . 1 . . . . 17 MET HE . 6806 1 947 . 2 2 17 17 MET C C 13 177.4 0.05 . 1 . . . . 17 MET C . 6806 1 948 . 2 2 17 17 MET CA C 13 56.7 0.05 . 1 . . . . 17 MET CA . 6806 1 949 . 2 2 17 17 MET CB C 13 32.4 0.05 . 1 . . . . 17 MET CB . 6806 1 950 . 2 2 17 17 MET CG C 13 33.4 0.05 . 1 . . . . 17 MET CG . 6806 1 951 . 2 2 17 17 MET CE C 13 18.7 0.05 . 1 . . . . 17 MET CE . 6806 1 952 . 2 2 17 17 MET N N 15 116.8 0.05 . 1 . . . . 17 MET N . 6806 1 953 . 2 2 18 18 ARG H H 1 7.15 0.005 . 1 . . . . 18 ARG H . 6806 1 954 . 2 2 18 18 ARG HA H 1 4.33 0.005 . 1 . . . . 18 ARG HA . 6806 1 955 . 2 2 18 18 ARG HB2 H 1 1.75 0.005 . 1 . . . . 18 ARG HB2 . 6806 1 956 . 2 2 18 18 ARG HB3 H 1 2.17 0.005 . 1 . . . . 18 ARG HB3 . 6806 1 957 . 2 2 18 18 ARG HG2 H 1 1.95 0.005 . 2 . . . . 18 ARG HG2 . 6806 1 958 . 2 2 18 18 ARG HG3 H 1 1.60 0.005 . 2 . . . . 18 ARG HG3 . 6806 1 959 . 2 2 18 18 ARG HD2 H 1 3.20 0.005 . 2 . . . . 18 ARG HD2 . 6806 1 960 . 2 2 18 18 ARG HD3 H 1 3.14 0.005 . 2 . . . . 18 ARG HD3 . 6806 1 961 . 2 2 18 18 ARG HE H 1 7.36 0.005 . 1 . . . . 18 ARG HE . 6806 1 962 . 2 2 18 18 ARG C C 13 176.4 0.05 . 1 . . . . 18 ARG C . 6806 1 963 . 2 2 18 18 ARG CA C 13 55.1 0.05 . 1 . . . . 18 ARG CA . 6806 1 964 . 2 2 18 18 ARG CB C 13 30.3 0.05 . 1 . . . . 18 ARG CB . 6806 1 965 . 2 2 18 18 ARG CG C 13 26.8 0.05 . 1 . . . . 18 ARG CG . 6806 1 966 . 2 2 18 18 ARG CD C 13 43.0 0.05 . 1 . . . . 18 ARG CD . 6806 1 967 . 2 2 18 18 ARG N N 15 116.3 0.05 . 1 . . . . 18 ARG N . 6806 1 968 . 2 2 18 18 ARG NE N 15 84.7 0.05 . 1 . . . . 18 ARG NE . 6806 1 969 . 2 2 19 19 LEU H H 1 7.41 0.005 . 1 . . . . 19 LEU H . 6806 1 970 . 2 2 19 19 LEU HA H 1 4.56 0.005 . 1 . . . . 19 LEU HA . 6806 1 971 . 2 2 19 19 LEU HB2 H 1 2.02 0.005 . 1 . . . . 19 LEU HB2 . 6806 1 972 . 2 2 19 19 LEU HB3 H 1 1.17 0.005 . 1 . . . . 19 LEU HB3 . 6806 1 973 . 2 2 19 19 LEU HG H 1 2.10 0.005 . 1 . . . . 19 LEU HG . 6806 1 974 . 2 2 19 19 LEU HD11 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 975 . 2 2 19 19 LEU HD12 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 976 . 2 2 19 19 LEU HD13 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6806 1 977 . 2 2 19 19 LEU HD21 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 978 . 2 2 19 19 LEU HD22 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 979 . 2 2 19 19 LEU HD23 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6806 1 980 . 2 2 19 19 LEU CA C 13 52.3 0.05 . 1 . . . . 19 LEU CA . 6806 1 981 . 2 2 19 19 LEU CB C 13 39.4 0.05 . 1 . . . . 19 LEU CB . 6806 1 982 . 2 2 19 19 LEU CG C 13 25.0 0.05 . 1 . . . . 19 LEU CG . 6806 1 983 . 2 2 19 19 LEU CD1 C 13 27.2 0.05 . 1 . . . . 19 LEU CD1 . 6806 1 984 . 2 2 19 19 LEU CD2 C 13 23.0 0.05 . 1 . . . . 19 LEU CD2 . 6806 1 985 . 2 2 19 19 LEU N N 15 124.7 0.05 . 1 . . . . 19 LEU N . 6806 1 986 . 2 2 20 20 PRO HA H 1 4.40 0.005 . 1 . . . . 20 PRO HA . 6806 1 987 . 2 2 20 20 PRO HB2 H 1 2.30 0.005 . 2 . . . . 20 PRO HB2 . 6806 1 988 . 2 2 20 20 PRO HB3 H 1 1.96 0.005 . 2 . . . . 20 PRO HB3 . 6806 1 989 . 2 2 20 20 PRO HG2 H 1 2.14 0.005 . 2 . . . . 20 PRO HG2 . 6806 1 990 . 2 2 20 20 PRO HG3 H 1 1.97 0.005 . 2 . . . . 20 PRO HG3 . 6806 1 991 . 2 2 20 20 PRO HD2 H 1 4.16 0.005 . 2 . . . . 20 PRO HD2 . 6806 1 992 . 2 2 20 20 PRO HD3 H 1 3.83 0.005 . 2 . . . . 20 PRO HD3 . 6806 1 993 . 2 2 20 20 PRO C C 13 178.1 0.05 . 1 . . . . 20 PRO C . 6806 1 994 . 2 2 20 20 PRO CA C 13 64.8 0.05 . 1 . . . . 20 PRO CA . 6806 1 995 . 2 2 20 20 PRO CB C 13 31.8 0.05 . 1 . . . . 20 PRO CB . 6806 1 996 . 2 2 20 20 PRO CG C 13 27.1 0.05 . 1 . . . . 20 PRO CG . 6806 1 997 . 2 2 20 20 PRO CD C 13 51.2 0.05 . 1 . . . . 20 PRO CD . 6806 1 998 . 2 2 21 21 ASN H H 1 8.84 0.005 . 1 . . . . 21 ASN H . 6806 1 999 . 2 2 21 21 ASN HA H 1 4.93 0.005 . 1 . . . . 21 ASN HA . 6806 1 1000 . 2 2 21 21 ASN HB2 H 1 2.89 0.005 . 1 . . . . 21 ASN HB2 . 6806 1 1001 . 2 2 21 21 ASN HB3 H 1 2.89 0.005 . 1 . . . . 21 ASN HB3 . 6806 1 1002 . 2 2 21 21 ASN HD21 H 1 7.00 0.005 . 2 . . . . 21 ASN HD21 . 6806 1 1003 . 2 2 21 21 ASN HD22 H 1 7.45 0.005 . 2 . . . . 21 ASN HD22 . 6806 1 1004 . 2 2 21 21 ASN C C 13 176.6 0.05 . 1 . . . . 21 ASN C . 6806 1 1005 . 2 2 21 21 ASN CA C 13 53.0 0.05 . 1 . . . . 21 ASN CA . 6806 1 1006 . 2 2 21 21 ASN CB C 13 38.6 0.05 . 1 . . . . 21 ASN CB . 6806 1 1007 . 2 2 21 21 ASN N N 15 113.9 0.05 . 1 . . . . 21 ASN N . 6806 1 1008 . 2 2 21 21 ASN ND2 N 15 115.7 0.05 . 1 . . . . 21 ASN ND2 . 6806 1 1009 . 2 2 22 22 LEU H H 1 6.65 0.005 . 1 . . . . 22 LEU H . 6806 1 1010 . 2 2 22 22 LEU HA H 1 4.43 0.005 . 1 . . . . 22 LEU HA . 6806 1 1011 . 2 2 22 22 LEU HB2 H 1 1.69 0.005 . 1 . . . . 22 LEU HB2 . 6806 1 1012 . 2 2 22 22 LEU HB3 H 1 1.54 0.005 . 1 . . . . 22 LEU HB3 . 6806 1 1013 . 2 2 22 22 LEU HG H 1 1.69 0.005 . 1 . . . . 22 LEU HG . 6806 1 1014 . 2 2 22 22 LEU HD11 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 1015 . 2 2 22 22 LEU HD12 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 1016 . 2 2 22 22 LEU HD13 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6806 1 1017 . 2 2 22 22 LEU HD21 H 1 0.87 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 1018 . 2 2 22 22 LEU HD22 H 1 0.87 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 1019 . 2 2 22 22 LEU HD23 H 1 0.87 0.005 . 1 . . . . 22 LEU HD2 . 6806 1 1020 . 2 2 22 22 LEU C C 13 176.8 0.05 . 1 . . . . 22 LEU C . 6806 1 1021 . 2 2 22 22 LEU CA C 13 54.2 0.05 . 1 . . . . 22 LEU CA . 6806 1 1022 . 2 2 22 22 LEU CB C 13 42.7 0.05 . 1 . . . . 22 LEU CB . 6806 1 1023 . 2 2 22 22 LEU CG C 13 27.2 0.05 . 1 . . . . 22 LEU CG . 6806 1 1024 . 2 2 22 22 LEU CD1 C 13 27.3 0.05 . 1 . . . . 22 LEU CD1 . 6806 1 1025 . 2 2 22 22 LEU CD2 C 13 22.4 0.05 . 1 . . . . 22 LEU CD2 . 6806 1 1026 . 2 2 22 22 LEU N N 15 118.4 0.05 . 1 . . . . 22 LEU N . 6806 1 1027 . 2 2 23 23 ASN H H 1 8.78 0.005 . 1 . . . . 23 ASN H . 6806 1 1028 . 2 2 23 23 ASN HA H 1 5.13 0.005 . 1 . . . . 23 ASN HA . 6806 1 1029 . 2 2 23 23 ASN HB2 H 1 2.78 0.005 . 1 . . . . 23 ASN HB2 . 6806 1 1030 . 2 2 23 23 ASN HB3 H 1 3.17 0.005 . 1 . . . . 23 ASN HB3 . 6806 1 1031 . 2 2 23 23 ASN HD21 H 1 7.02 0.005 . 2 . . . . 23 ASN HD21 . 6806 1 1032 . 2 2 23 23 ASN HD22 H 1 7.70 0.005 . 2 . . . . 23 ASN HD22 . 6806 1 1033 . 2 2 23 23 ASN C C 13 176.8 0.05 . 1 . . . . 23 ASN C . 6806 1 1034 . 2 2 23 23 ASN CA C 13 51.5 0.05 . 1 . . . . 23 ASN CA . 6806 1 1035 . 2 2 23 23 ASN CB C 13 39.8 0.05 . 1 . . . . 23 ASN CB . 6806 1 1036 . 2 2 23 23 ASN N N 15 120.3 0.05 . 1 . . . . 23 ASN N . 6806 1 1037 . 2 2 23 23 ASN ND2 N 15 114.4 0.05 . 1 . . . . 23 ASN ND2 . 6806 1 1038 . 2 2 24 24 SER H H 1 9.10 0.005 . 1 . . . . 24 SER H . 6806 1 1039 . 2 2 24 24 SER HA H 1 3.98 0.005 . 1 . . . . 24 SER HA . 6806 1 1040 . 2 2 24 24 SER HB2 H 1 3.88 0.005 . 1 . . . . 24 SER HB2 . 6806 1 1041 . 2 2 24 24 SER HB3 H 1 3.88 0.005 . 1 . . . . 24 SER HB3 . 6806 1 1042 . 2 2 24 24 SER C C 13 176.0 0.05 . 1 . . . . 24 SER C . 6806 1 1043 . 2 2 24 24 SER CA C 13 62.4 0.05 . 1 . . . . 24 SER CA . 6806 1 1044 . 2 2 24 24 SER CB C 13 63.0 0.05 . 1 . . . . 24 SER CB . 6806 1 1045 . 2 2 24 24 SER N N 15 117.0 0.05 . 1 . . . . 24 SER N . 6806 1 1046 . 2 2 25 25 LEU H H 1 8.18 0.005 . 1 . . . . 25 LEU H . 6806 1 1047 . 2 2 25 25 LEU HA H 1 4.06 0.005 . 1 . . . . 25 LEU HA . 6806 1 1048 . 2 2 25 25 LEU HB2 H 1 1.84 0.005 . 1 . . . . 25 LEU HB2 . 6806 1 1049 . 2 2 25 25 LEU HB3 H 1 1.53 0.005 . 1 . . . . 25 LEU HB3 . 6806 1 1050 . 2 2 25 25 LEU HG H 1 1.66 0.005 . 1 . . . . 25 LEU HG . 6806 1 1051 . 2 2 25 25 LEU HD11 H 1 0.90 0.005 . 1 . . . . 25 LEU HD1 . 6806 1 1052 . 2 2 25 25 LEU HD12 H 1 0.90 0.005 . 1 . . . . 25 LEU HD1 . 6806 1 1053 . 2 2 25 25 LEU HD13 H 1 0.90 0.005 . 1 . . . . 25 LEU HD1 . 6806 1 1054 . 2 2 25 25 LEU HD21 H 1 0.83 0.005 . 1 . . . . 25 LEU HD2 . 6806 1 1055 . 2 2 25 25 LEU HD22 H 1 0.83 0.005 . 1 . . . . 25 LEU HD2 . 6806 1 1056 . 2 2 25 25 LEU HD23 H 1 0.83 0.005 . 1 . . . . 25 LEU HD2 . 6806 1 1057 . 2 2 25 25 LEU C C 13 180.7 0.05 . 1 . . . . 25 LEU C . 6806 1 1058 . 2 2 25 25 LEU CA C 13 58.3 0.05 . 1 . . . . 25 LEU CA . 6806 1 1059 . 2 2 25 25 LEU CB C 13 40.8 0.05 . 1 . . . . 25 LEU CB . 6806 1 1060 . 2 2 25 25 LEU CG C 13 27.1 0.05 . 1 . . . . 25 LEU CG . 6806 1 1061 . 2 2 25 25 LEU CD1 C 13 25.0 0.05 . 1 . . . . 25 LEU CD1 . 6806 1 1062 . 2 2 25 25 LEU CD2 C 13 23.2 0.05 . 1 . . . . 25 LEU CD2 . 6806 1 1063 . 2 2 25 25 LEU N N 15 122.0 0.05 . 1 . . . . 25 LEU N . 6806 1 1064 . 2 2 26 26 GLN H H 1 8.06 0.005 . 1 . . . . 26 GLN H . 6806 1 1065 . 2 2 26 26 GLN HA H 1 3.93 0.005 . 1 . . . . 26 GLN HA . 6806 1 1066 . 2 2 26 26 GLN HB2 H 1 2.63 0.005 . 1 . . . . 26 GLN HB2 . 6806 1 1067 . 2 2 26 26 GLN HB3 H 1 1.68 0.005 . 1 . . . . 26 GLN HB3 . 6806 1 1068 . 2 2 26 26 GLN HG2 H 1 2.64 0.005 . 2 . . . . 26 GLN HG2 . 6806 1 1069 . 2 2 26 26 GLN HG3 H 1 2.29 0.005 . 2 . . . . 26 GLN HG3 . 6806 1 1070 . 2 2 26 26 GLN HE21 H 1 7.65 0.005 . 2 . . . . 26 GLN HE21 . 6806 1 1071 . 2 2 26 26 GLN HE22 H 1 8.35 0.005 . 2 . . . . 26 GLN HE22 . 6806 1 1072 . 2 2 26 26 GLN C C 13 178.4 0.05 . 1 . . . . 26 GLN C . 6806 1 1073 . 2 2 26 26 GLN CA C 13 58.3 0.05 . 1 . . . . 26 GLN CA . 6806 1 1074 . 2 2 26 26 GLN CB C 13 28.4 0.05 . 1 . . . . 26 GLN CB . 6806 1 1075 . 2 2 26 26 GLN CG C 13 34.6 0.05 . 1 . . . . 26 GLN CG . 6806 1 1076 . 2 2 26 26 GLN N N 15 120.8 0.05 . 1 . . . . 26 GLN N . 6806 1 1077 . 2 2 26 26 GLN NE2 N 15 114.3 0.05 . 1 . . . . 26 GLN NE2 . 6806 1 1078 . 2 2 27 27 VAL H H 1 7.82 0.005 . 1 . . . . 27 VAL H . 6806 1 1079 . 2 2 27 27 VAL HA H 1 3.53 0.005 . 1 . . . . 27 VAL HA . 6806 1 1080 . 2 2 27 27 VAL HB H 1 2.28 0.005 . 1 . . . . 27 VAL HB . 6806 1 1081 . 2 2 27 27 VAL HG11 H 1 1.00 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 1082 . 2 2 27 27 VAL HG12 H 1 1.00 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 1083 . 2 2 27 27 VAL HG13 H 1 1.00 0.005 . 1 . . . . 27 VAL HG1 . 6806 1 1084 . 2 2 27 27 VAL HG21 H 1 0.96 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 1085 . 2 2 27 27 VAL HG22 H 1 0.96 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 1086 . 2 2 27 27 VAL HG23 H 1 0.96 0.005 . 1 . . . . 27 VAL HG2 . 6806 1 1087 . 2 2 27 27 VAL C C 13 177.6 0.05 . 1 . . . . 27 VAL C . 6806 1 1088 . 2 2 27 27 VAL CA C 13 68.2 0.05 . 1 . . . . 27 VAL CA . 6806 1 1089 . 2 2 27 27 VAL CB C 13 31.4 0.05 . 1 . . . . 27 VAL CB . 6806 1 1090 . 2 2 27 27 VAL CG1 C 13 22.2 0.05 . 1 . . . . 27 VAL CG1 . 6806 1 1091 . 2 2 27 27 VAL CG2 C 13 23.6 0.05 . 1 . . . . 27 VAL CG2 . 6806 1 1092 . 2 2 27 27 VAL N N 15 119.4 0.05 . 1 . . . . 27 VAL N . 6806 1 1093 . 2 2 28 28 VAL H H 1 8.30 0.005 . 1 . . . . 28 VAL H . 6806 1 1094 . 2 2 28 28 VAL HA H 1 3.46 0.005 . 1 . . . . 28 VAL HA . 6806 1 1095 . 2 2 28 28 VAL HB H 1 2.20 0.005 . 1 . . . . 28 VAL HB . 6806 1 1096 . 2 2 28 28 VAL HG11 H 1 1.07 0.005 . 1 . . . . 28 VAL HG1 . 6806 1 1097 . 2 2 28 28 VAL HG12 H 1 1.07 0.005 . 1 . . . . 28 VAL HG1 . 6806 1 1098 . 2 2 28 28 VAL HG13 H 1 1.07 0.005 . 1 . . . . 28 VAL HG1 . 6806 1 1099 . 2 2 28 28 VAL HG21 H 1 1.15 0.005 . 1 . . . . 28 VAL HG2 . 6806 1 1100 . 2 2 28 28 VAL HG22 H 1 1.15 0.005 . 1 . . . . 28 VAL HG2 . 6806 1 1101 . 2 2 28 28 VAL HG23 H 1 1.15 0.005 . 1 . . . . 28 VAL HG2 . 6806 1 1102 . 2 2 28 28 VAL C C 13 177.1 0.05 . 1 . . . . 28 VAL C . 6806 1 1103 . 2 2 28 28 VAL CA C 13 67.5 0.05 . 1 . . . . 28 VAL CA . 6806 1 1104 . 2 2 28 28 VAL CB C 13 31.7 0.05 . 1 . . . . 28 VAL CB . 6806 1 1105 . 2 2 28 28 VAL CG1 C 13 21.3 0.05 . 1 . . . . 28 VAL CG1 . 6806 1 1106 . 2 2 28 28 VAL CG2 C 13 23.5 0.05 . 1 . . . . 28 VAL CG2 . 6806 1 1107 . 2 2 28 28 VAL N N 15 118.8 0.05 . 1 . . . . 28 VAL N . 6806 1 1108 . 2 2 29 29 ALA H H 1 7.69 0.005 . 1 . . . . 29 ALA H . 6806 1 1109 . 2 2 29 29 ALA HA H 1 4.18 0.005 . 1 . . . . 29 ALA HA . 6806 1 1110 . 2 2 29 29 ALA HB1 H 1 1.34 0.005 . 1 . . . . 29 ALA HB . 6806 1 1111 . 2 2 29 29 ALA HB2 H 1 1.34 0.005 . 1 . . . . 29 ALA HB . 6806 1 1112 . 2 2 29 29 ALA HB3 H 1 1.34 0.005 . 1 . . . . 29 ALA HB . 6806 1 1113 . 2 2 29 29 ALA C C 13 181.3 0.05 . 1 . . . . 29 ALA C . 6806 1 1114 . 2 2 29 29 ALA CA C 13 55.5 0.05 . 1 . . . . 29 ALA CA . 6806 1 1115 . 2 2 29 29 ALA CB C 13 17.5 0.05 . 1 . . . . 29 ALA CB . 6806 1 1116 . 2 2 29 29 ALA N N 15 122.4 0.05 . 1 . . . . 29 ALA N . 6806 1 1117 . 2 2 30 30 PHE H H 1 8.02 0.005 . 1 . . . . 30 PHE H . 6806 1 1118 . 2 2 30 30 PHE HA H 1 4.37 0.005 . 1 . . . . 30 PHE HA . 6806 1 1119 . 2 2 30 30 PHE HB2 H 1 3.19 0.005 . 1 . . . . 30 PHE HB2 . 6806 1 1120 . 2 2 30 30 PHE HB3 H 1 2.88 0.005 . 1 . . . . 30 PHE HB3 . 6806 1 1121 . 2 2 30 30 PHE HD1 H 1 7.21 0.005 . 1 . . . . 30 PHE HD1 . 6806 1 1122 . 2 2 30 30 PHE HD2 H 1 7.21 0.005 . 1 . . . . 30 PHE HD2 . 6806 1 1123 . 2 2 30 30 PHE HE1 H 1 7.06 0.005 . 1 . . . . 30 PHE HE1 . 6806 1 1124 . 2 2 30 30 PHE HE2 H 1 7.06 0.005 . 1 . . . . 30 PHE HE2 . 6806 1 1125 . 2 2 30 30 PHE C C 13 178.2 0.05 . 1 . . . . 30 PHE C . 6806 1 1126 . 2 2 30 30 PHE CA C 13 62.3 0.05 . 1 . . . . 30 PHE CA . 6806 1 1127 . 2 2 30 30 PHE CB C 13 38.8 0.05 . 1 . . . . 30 PHE CB . 6806 1 1128 . 2 2 30 30 PHE N N 15 117.9 0.05 . 1 . . . . 30 PHE N . 6806 1 1129 . 2 2 31 31 ILE H H 1 8.44 0.005 . 1 . . . . 31 ILE H . 6806 1 1130 . 2 2 31 31 ILE HA H 1 3.30 0.005 . 1 . . . . 31 ILE HA . 6806 1 1131 . 2 2 31 31 ILE HB H 1 1.27 0.005 . 1 . . . . 31 ILE HB . 6806 1 1132 . 2 2 31 31 ILE HG12 H 1 1.96 0.005 . 2 . . . . 31 ILE HG12 . 6806 1 1133 . 2 2 31 31 ILE HG13 H 1 0.49 0.005 . 2 . . . . 31 ILE HG13 . 6806 1 1134 . 2 2 31 31 ILE HG21 H 1 -0.09 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 1135 . 2 2 31 31 ILE HG22 H 1 -0.09 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 1136 . 2 2 31 31 ILE HG23 H 1 -0.09 0.005 . 1 . . . . 31 ILE HG2 . 6806 1 1137 . 2 2 31 31 ILE HD11 H 1 0.56 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 1138 . 2 2 31 31 ILE HD12 H 1 0.56 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 1139 . 2 2 31 31 ILE HD13 H 1 0.56 0.005 . 1 . . . . 31 ILE HD1 . 6806 1 1140 . 2 2 31 31 ILE C C 13 177.8 0.05 . 1 . . . . 31 ILE C . 6806 1 1141 . 2 2 31 31 ILE CA C 13 66.7 0.05 . 1 . . . . 31 ILE CA . 6806 1 1142 . 2 2 31 31 ILE CB C 13 37.1 0.05 . 1 . . . . 31 ILE CB . 6806 1 1143 . 2 2 31 31 ILE CG1 C 13 28.8 0.05 . 1 . . . . 31 ILE CG1 . 6806 1 1144 . 2 2 31 31 ILE CG2 C 13 16.1 0.05 . 1 . . . . 31 ILE CG2 . 6806 1 1145 . 2 2 31 31 ILE CD1 C 13 14.8 0.05 . 1 . . . . 31 ILE CD1 . 6806 1 1146 . 2 2 31 31 ILE N N 15 120.5 0.05 . 1 . . . . 31 ILE N . 6806 1 1147 . 2 2 32 32 ASN H H 1 8.74 0.005 . 1 . . . . 32 ASN H . 6806 1 1148 . 2 2 32 32 ASN HA H 1 4.39 0.005 . 1 . . . . 32 ASN HA . 6806 1 1149 . 2 2 32 32 ASN HB2 H 1 3.00 0.005 . 2 . . . . 32 ASN HB2 . 6806 1 1150 . 2 2 32 32 ASN HB3 H 1 2.92 0.005 . 2 . . . . 32 ASN HB3 . 6806 1 1151 . 2 2 32 32 ASN HD21 H 1 7.03 0.005 . 2 . . . . 32 ASN HD21 . 6806 1 1152 . 2 2 32 32 ASN HD22 H 1 7.46 0.005 . 2 . . . . 32 ASN HD22 . 6806 1 1153 . 2 2 32 32 ASN C C 13 178.2 0.05 . 1 . . . . 32 ASN C . 6806 1 1154 . 2 2 32 32 ASN CA C 13 57.1 0.05 . 1 . . . . 32 ASN CA . 6806 1 1155 . 2 2 32 32 ASN CB C 13 38.6 0.05 . 1 . . . . 32 ASN CB . 6806 1 1156 . 2 2 32 32 ASN N N 15 119.8 0.05 . 1 . . . . 32 ASN N . 6806 1 1157 . 2 2 32 32 ASN ND2 N 15 113.3 0.05 . 1 . . . . 32 ASN ND2 . 6806 1 1158 . 2 2 33 33 SER H H 1 8.01 0.005 . 1 . . . . 33 SER H . 6806 1 1159 . 2 2 33 33 SER HA H 1 4.29 0.005 . 1 . . . . 33 SER HA . 6806 1 1160 . 2 2 33 33 SER HB2 H 1 4.08 0.005 . 1 . . . . 33 SER HB2 . 6806 1 1161 . 2 2 33 33 SER HB3 H 1 3.96 0.005 . 1 . . . . 33 SER HB3 . 6806 1 1162 . 2 2 33 33 SER C C 13 176.6 0.05 . 1 . . . . 33 SER C . 6806 1 1163 . 2 2 33 33 SER CA C 13 62.5 0.05 . 1 . . . . 33 SER CA . 6806 1 1164 . 2 2 33 33 SER CB C 13 63.2 0.05 . 1 . . . . 33 SER CB . 6806 1 1165 . 2 2 33 33 SER N N 15 116.6 0.05 . 1 . . . . 33 SER N . 6806 1 1166 . 2 2 34 34 LEU H H 1 8.11 0.005 . 1 . . . . 34 LEU H . 6806 1 1167 . 2 2 34 34 LEU HA H 1 3.83 0.005 . 1 . . . . 34 LEU HA . 6806 1 1168 . 2 2 34 34 LEU HB2 H 1 1.87 0.005 . 2 . . . . 34 LEU HB2 . 6806 1 1169 . 2 2 34 34 LEU HB3 H 1 0.84 0.005 . 2 . . . . 34 LEU HB3 . 6806 1 1170 . 2 2 34 34 LEU HG H 1 1.76 0.005 . 1 . . . . 34 LEU HG . 6806 1 1171 . 2 2 34 34 LEU HD11 H 1 0.63 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 1172 . 2 2 34 34 LEU HD12 H 1 0.63 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 1173 . 2 2 34 34 LEU HD13 H 1 0.63 0.005 . 1 . . . . 34 LEU HD1 . 6806 1 1174 . 2 2 34 34 LEU HD21 H 1 0.74 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 1175 . 2 2 34 34 LEU HD22 H 1 0.74 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 1176 . 2 2 34 34 LEU HD23 H 1 0.74 0.005 . 1 . . . . 34 LEU HD2 . 6806 1 1177 . 2 2 34 34 LEU C C 13 178.9 0.05 . 1 . . . . 34 LEU C . 6806 1 1178 . 2 2 34 34 LEU CA C 13 56.7 0.05 . 1 . . . . 34 LEU CA . 6806 1 1179 . 2 2 34 34 LEU CB C 13 41.6 0.05 . 1 . . . . 34 LEU CB . 6806 1 1180 . 2 2 34 34 LEU CG C 13 26.5 0.05 . 1 . . . . 34 LEU CG . 6806 1 1181 . 2 2 34 34 LEU CD1 C 13 26.1 0.05 . 1 . . . . 34 LEU CD1 . 6806 1 1182 . 2 2 34 34 LEU CD2 C 13 25.4 0.05 . 1 . . . . 34 LEU CD2 . 6806 1 1183 . 2 2 34 34 LEU N N 15 123.4 0.05 . 1 . . . . 34 LEU N . 6806 1 1184 . 2 2 35 35 ARG H H 1 8.57 0.005 . 1 . . . . 35 ARG H . 6806 1 1185 . 2 2 35 35 ARG HA H 1 4.23 0.005 . 1 . . . . 35 ARG HA . 6806 1 1186 . 2 2 35 35 ARG HB2 H 1 2.72 0.005 . 2 . . . . 35 ARG HB2 . 6806 1 1187 . 2 2 35 35 ARG HB3 H 1 1.98 0.005 . 2 . . . . 35 ARG HB3 . 6806 1 1188 . 2 2 35 35 ARG HG2 H 1 2.09 0.005 . 2 . . . . 35 ARG HG2 . 6806 1 1189 . 2 2 35 35 ARG HG3 H 1 1.85 0.005 . 2 . . . . 35 ARG HG3 . 6806 1 1190 . 2 2 35 35 ARG HD2 H 1 3.41 0.005 . 2 . . . . 35 ARG HD2 . 6806 1 1191 . 2 2 35 35 ARG HD3 H 1 3.26 0.005 . 2 . . . . 35 ARG HD3 . 6806 1 1192 . 2 2 35 35 ARG HE H 1 7.54 0.005 . 1 . . . . 35 ARG HE . 6806 1 1193 . 2 2 35 35 ARG C C 13 177.1 0.05 . 1 . . . . 35 ARG C . 6806 1 1194 . 2 2 35 35 ARG CA C 13 59.4 0.05 . 1 . . . . 35 ARG CA . 6806 1 1195 . 2 2 35 35 ARG CB C 13 29.9 0.05 . 1 . . . . 35 ARG CB . 6806 1 1196 . 2 2 35 35 ARG CG C 13 26.3 0.05 . 1 . . . . 35 ARG CG . 6806 1 1197 . 2 2 35 35 ARG CD C 13 44.5 0.05 . 1 . . . . 35 ARG CD . 6806 1 1198 . 2 2 35 35 ARG N N 15 122.0 0.05 . 1 . . . . 35 ARG N . 6806 1 1199 . 2 2 35 35 ARG NE N 15 84.2 0.05 . 1 . . . . 35 ARG NE . 6806 1 1200 . 2 2 36 36 ASP H H 1 7.63 0.005 . 1 . . . . 36 ASP H . 6806 1 1201 . 2 2 36 36 ASP HA H 1 4.48 0.005 . 1 . . . . 36 ASP HA . 6806 1 1202 . 2 2 36 36 ASP HB2 H 1 2.74 0.005 . 1 . . . . 36 ASP HB2 . 6806 1 1203 . 2 2 36 36 ASP HB3 H 1 2.74 0.005 . 1 . . . . 36 ASP HB3 . 6806 1 1204 . 2 2 36 36 ASP C C 13 177.2 0.05 . 1 . . . . 36 ASP C . 6806 1 1205 . 2 2 36 36 ASP CA C 13 56.8 0.05 . 1 . . . . 36 ASP CA . 6806 1 1206 . 2 2 36 36 ASP CB C 13 40.7 0.05 . 1 . . . . 36 ASP CB . 6806 1 1207 . 2 2 36 36 ASP N N 15 118.7 0.05 . 1 . . . . 36 ASP N . 6806 1 1208 . 2 2 37 37 ASP H H 1 7.68 0.005 . 1 . . . . 37 ASP H . 6806 1 1209 . 2 2 37 37 ASP HA H 1 4.99 0.005 . 1 . . . . 37 ASP HA . 6806 1 1210 . 2 2 37 37 ASP HB2 H 1 2.89 0.005 . 1 . . . . 37 ASP HB2 . 6806 1 1211 . 2 2 37 37 ASP HB3 H 1 2.57 0.005 . 1 . . . . 37 ASP HB3 . 6806 1 1212 . 2 2 37 37 ASP C C 13 177.3 0.05 . 1 . . . . 37 ASP C . 6806 1 1213 . 2 2 37 37 ASP CA C 13 51.6 0.05 . 1 . . . . 37 ASP CA . 6806 1 1214 . 2 2 37 37 ASP CB C 13 40.4 0.05 . 1 . . . . 37 ASP CB . 6806 1 1215 . 2 2 37 37 ASP N N 15 113.6 0.05 . 1 . . . . 37 ASP N . 6806 1 1216 . 2 2 38 38 PRO HA H 1 4.31 0.005 . 1 . . . . 38 PRO HA . 6806 1 1217 . 2 2 38 38 PRO HB2 H 1 2.00 0.005 . 1 . . . . 38 PRO HB2 . 6806 1 1218 . 2 2 38 38 PRO HB3 H 1 2.00 0.005 . 1 . . . . 38 PRO HB3 . 6806 1 1219 . 2 2 38 38 PRO HG2 H 1 2.06 0.005 . 1 . . . . 38 PRO HG2 . 6806 1 1220 . 2 2 38 38 PRO HG3 H 1 2.06 0.005 . 1 . . . . 38 PRO HG3 . 6806 1 1221 . 2 2 38 38 PRO HD2 H 1 4.05 0.005 . 2 . . . . 38 PRO HD2 . 6806 1 1222 . 2 2 38 38 PRO HD3 H 1 3.44 0.005 . 2 . . . . 38 PRO HD3 . 6806 1 1223 . 2 2 38 38 PRO C C 13 178.1 0.05 . 1 . . . . 38 PRO C . 6806 1 1224 . 2 2 38 38 PRO CA C 13 63.6 0.05 . 1 . . . . 38 PRO CA . 6806 1 1225 . 2 2 38 38 PRO CB C 13 31.1 0.05 . 1 . . . . 38 PRO CB . 6806 1 1226 . 2 2 38 38 PRO CG C 13 26.9 0.05 . 1 . . . . 38 PRO CG . 6806 1 1227 . 2 2 38 38 PRO CD C 13 50.0 0.05 . 1 . . . . 38 PRO CD . 6806 1 1228 . 2 2 39 39 SER H H 1 8.18 0.005 . 1 . . . . 39 SER H . 6806 1 1229 . 2 2 39 39 SER HA H 1 3.27 0.005 . 1 . . . . 39 SER HA . 6806 1 1230 . 2 2 39 39 SER HB2 H 1 3.51 0.005 . 1 . . . . 39 SER HB2 . 6806 1 1231 . 2 2 39 39 SER HB3 H 1 3.51 0.005 . 1 . . . . 39 SER HB3 . 6806 1 1232 . 2 2 39 39 SER C C 13 175.6 0.05 . 1 . . . . 39 SER C . 6806 1 1233 . 2 2 39 39 SER CA C 13 60.9 0.05 . 1 . . . . 39 SER CA . 6806 1 1234 . 2 2 39 39 SER CB C 13 62.2 0.05 . 1 . . . . 39 SER CB . 6806 1 1235 . 2 2 39 39 SER N N 15 119.1 0.05 . 1 . . . . 39 SER N . 6806 1 1236 . 2 2 40 40 GLN H H 1 7.13 0.005 . 1 . . . . 40 GLN H . 6806 1 1237 . 2 2 40 40 GLN HA H 1 4.53 0.005 . 1 . . . . 40 GLN HA . 6806 1 1238 . 2 2 40 40 GLN HB2 H 1 1.86 0.005 . 1 . . . . 40 GLN HB2 . 6806 1 1239 . 2 2 40 40 GLN HB3 H 1 2.52 0.005 . 1 . . . . 40 GLN HB3 . 6806 1 1240 . 2 2 40 40 GLN HG2 H 1 2.33 0.005 . 2 . . . . 40 GLN HG2 . 6806 1 1241 . 2 2 40 40 GLN HG3 H 1 2.17 0.005 . 2 . . . . 40 GLN HG3 . 6806 1 1242 . 2 2 40 40 GLN HE21 H 1 6.83 0.005 . 2 . . . . 40 GLN HE21 . 6806 1 1243 . 2 2 40 40 GLN HE22 H 1 7.37 0.005 . 2 . . . . 40 GLN HE22 . 6806 1 1244 . 2 2 40 40 GLN C C 13 175.4 0.05 . 1 . . . . 40 GLN C . 6806 1 1245 . 2 2 40 40 GLN CA C 13 54.9 0.05 . 1 . . . . 40 GLN CA . 6806 1 1246 . 2 2 40 40 GLN CB C 13 28.1 0.05 . 1 . . . . 40 GLN CB . 6806 1 1247 . 2 2 40 40 GLN CG C 13 33.3 0.05 . 1 . . . . 40 GLN CG . 6806 1 1248 . 2 2 40 40 GLN N N 15 120.2 0.05 . 1 . . . . 40 GLN N . 6806 1 1249 . 2 2 40 40 GLN NE2 N 15 114.6 0.05 . 1 . . . . 40 GLN NE2 . 6806 1 1250 . 2 2 41 41 SER H H 1 7.28 0.005 . 1 . . . . 41 SER H . 6806 1 1251 . 2 2 41 41 SER HA H 1 3.79 0.005 . 1 . . . . 41 SER HA . 6806 1 1252 . 2 2 41 41 SER HB2 H 1 3.81 0.005 . 2 . . . . 41 SER HB2 . 6806 1 1253 . 2 2 41 41 SER HB3 H 1 3.51 0.005 . 2 . . . . 41 SER HB3 . 6806 1 1254 . 2 2 41 41 SER C C 13 174.1 0.05 . 1 . . . . 41 SER C . 6806 1 1255 . 2 2 41 41 SER CA C 13 64.3 0.05 . 1 . . . . 41 SER CA . 6806 1 1256 . 2 2 41 41 SER CB C 13 63.3 0.05 . 1 . . . . 41 SER CB . 6806 1 1257 . 2 2 41 41 SER N N 15 116.8 0.05 . 1 . . . . 41 SER N . 6806 1 1258 . 2 2 42 42 ALA H H 1 8.54 0.005 . 1 . . . . 42 ALA H . 6806 1 1259 . 2 2 42 42 ALA HA H 1 4.04 0.005 . 1 . . . . 42 ALA HA . 6806 1 1260 . 2 2 42 42 ALA HB1 H 1 1.36 0.005 . 1 . . . . 42 ALA HB . 6806 1 1261 . 2 2 42 42 ALA HB2 H 1 1.36 0.005 . 1 . . . . 42 ALA HB . 6806 1 1262 . 2 2 42 42 ALA HB3 H 1 1.36 0.005 . 1 . . . . 42 ALA HB . 6806 1 1263 . 2 2 42 42 ALA C C 13 181.1 0.05 . 1 . . . . 42 ALA C . 6806 1 1264 . 2 2 42 42 ALA CA C 13 55.4 0.05 . 1 . . . . 42 ALA CA . 6806 1 1265 . 2 2 42 42 ALA CB C 13 17.5 0.05 . 1 . . . . 42 ALA CB . 6806 1 1266 . 2 2 42 42 ALA N N 15 123.3 0.05 . 1 . . . . 42 ALA N . 6806 1 1267 . 2 2 43 43 ASN H H 1 8.06 0.005 . 1 . . . . 43 ASN H . 6806 1 1268 . 2 2 43 43 ASN HA H 1 4.45 0.005 . 1 . . . . 43 ASN HA . 6806 1 1269 . 2 2 43 43 ASN HB2 H 1 2.81 0.005 . 1 . . . . 43 ASN HB2 . 6806 1 1270 . 2 2 43 43 ASN HB3 H 1 2.81 0.005 . 1 . . . . 43 ASN HB3 . 6806 1 1271 . 2 2 43 43 ASN HD21 H 1 6.87 0.005 . 2 . . . . 43 ASN HD21 . 6806 1 1272 . 2 2 43 43 ASN HD22 H 1 7.68 0.005 . 2 . . . . 43 ASN HD22 . 6806 1 1273 . 2 2 43 43 ASN C C 13 178.1 0.05 . 1 . . . . 43 ASN C . 6806 1 1274 . 2 2 43 43 ASN CA C 13 55.7 0.05 . 1 . . . . 43 ASN CA . 6806 1 1275 . 2 2 43 43 ASN CB C 13 37.9 0.05 . 1 . . . . 43 ASN CB . 6806 1 1276 . 2 2 43 43 ASN N N 15 119.4 0.05 . 1 . . . . 43 ASN N . 6806 1 1277 . 2 2 43 43 ASN ND2 N 15 112.4 0.05 . 1 . . . . 43 ASN ND2 . 6806 1 1278 . 2 2 44 44 LEU H H 1 8.75 0.005 . 1 . . . . 44 LEU H . 6806 1 1279 . 2 2 44 44 LEU HA H 1 4.17 0.005 . 1 . . . . 44 LEU HA . 6806 1 1280 . 2 2 44 44 LEU HB2 H 1 1.71 0.005 . 2 . . . . 44 LEU HB2 . 6806 1 1281 . 2 2 44 44 LEU HB3 H 1 1.24 0.005 . 2 . . . . 44 LEU HB3 . 6806 1 1282 . 2 2 44 44 LEU HG H 1 1.80 0.005 . 1 . . . . 44 LEU HG . 6806 1 1283 . 2 2 44 44 LEU HD11 H 1 0.80 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 1284 . 2 2 44 44 LEU HD12 H 1 0.80 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 1285 . 2 2 44 44 LEU HD13 H 1 0.80 0.005 . 1 . . . . 44 LEU HD1 . 6806 1 1286 . 2 2 44 44 LEU HD21 H 1 1.01 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 1287 . 2 2 44 44 LEU HD22 H 1 1.01 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 1288 . 2 2 44 44 LEU HD23 H 1 1.01 0.005 . 1 . . . . 44 LEU HD2 . 6806 1 1289 . 2 2 44 44 LEU C C 13 178.6 0.05 . 1 . . . . 44 LEU C . 6806 1 1290 . 2 2 44 44 LEU CA C 13 57.7 0.05 . 1 . . . . 44 LEU CA . 6806 1 1291 . 2 2 44 44 LEU CB C 13 41.2 0.05 . 1 . . . . 44 LEU CB . 6806 1 1292 . 2 2 44 44 LEU CG C 13 27.4 0.05 . 1 . . . . 44 LEU CG . 6806 1 1293 . 2 2 44 44 LEU CD1 C 13 25.9 0.05 . 1 . . . . 44 LEU CD1 . 6806 1 1294 . 2 2 44 44 LEU CD2 C 13 23.3 0.05 . 1 . . . . 44 LEU CD2 . 6806 1 1295 . 2 2 44 44 LEU N N 15 122.4 0.05 . 1 . . . . 44 LEU N . 6806 1 1296 . 2 2 45 45 LEU H H 1 8.26 0.005 . 1 . . . . 45 LEU H . 6806 1 1297 . 2 2 45 45 LEU HA H 1 3.79 0.005 . 1 . . . . 45 LEU HA . 6806 1 1298 . 2 2 45 45 LEU HB2 H 1 1.87 0.005 . 2 . . . . 45 LEU HB2 . 6806 1 1299 . 2 2 45 45 LEU HB3 H 1 1.40 0.005 . 2 . . . . 45 LEU HB3 . 6806 1 1300 . 2 2 45 45 LEU HG H 1 1.45 0.005 . 1 . . . . 45 LEU HG . 6806 1 1301 . 2 2 45 45 LEU HD11 H 1 0.85 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 1302 . 2 2 45 45 LEU HD12 H 1 0.85 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 1303 . 2 2 45 45 LEU HD13 H 1 0.85 0.005 . 1 . . . . 45 LEU HD1 . 6806 1 1304 . 2 2 45 45 LEU HD21 H 1 0.85 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 1305 . 2 2 45 45 LEU HD22 H 1 0.85 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 1306 . 2 2 45 45 LEU HD23 H 1 0.85 0.005 . 1 . . . . 45 LEU HD2 . 6806 1 1307 . 2 2 45 45 LEU C C 13 178.0 0.05 . 1 . . . . 45 LEU C . 6806 1 1308 . 2 2 45 45 LEU CA C 13 57.9 0.05 . 1 . . . . 45 LEU CA . 6806 1 1309 . 2 2 45 45 LEU CB C 13 41.5 0.05 . 1 . . . . 45 LEU CB . 6806 1 1310 . 2 2 45 45 LEU CG C 13 27.1 0.05 . 1 . . . . 45 LEU CG . 6806 1 1311 . 2 2 45 45 LEU CD1 C 13 23.8 0.05 . 1 . . . . 45 LEU CD1 . 6806 1 1312 . 2 2 45 45 LEU CD2 C 13 25.5 0.05 . 1 . . . . 45 LEU CD2 . 6806 1 1313 . 2 2 45 45 LEU N N 15 120.7 0.05 . 1 . . . . 45 LEU N . 6806 1 1314 . 2 2 46 46 ALA H H 1 7.52 0.005 . 1 . . . . 46 ALA H . 6806 1 1315 . 2 2 46 46 ALA HA H 1 4.01 0.005 . 1 . . . . 46 ALA HA . 6806 1 1316 . 2 2 46 46 ALA HB1 H 1 1.51 0.005 . 1 . . . . 46 ALA HB . 6806 1 1317 . 2 2 46 46 ALA HB2 H 1 1.51 0.005 . 1 . . . . 46 ALA HB . 6806 1 1318 . 2 2 46 46 ALA HB3 H 1 1.51 0.005 . 1 . . . . 46 ALA HB . 6806 1 1319 . 2 2 46 46 ALA C C 13 181.2 0.05 . 1 . . . . 46 ALA C . 6806 1 1320 . 2 2 46 46 ALA CA C 13 55.2 0.05 . 1 . . . . 46 ALA CA . 6806 1 1321 . 2 2 46 46 ALA CB C 13 17.6 0.05 . 1 . . . . 46 ALA CB . 6806 1 1322 . 2 2 46 46 ALA N N 15 120.5 0.05 . 1 . . . . 46 ALA N . 6806 1 1323 . 2 2 47 47 GLU H H 1 8.05 0.005 . 1 . . . . 47 GLU H . 6806 1 1324 . 2 2 47 47 GLU HA H 1 4.02 0.005 . 1 . . . . 47 GLU HA . 6806 1 1325 . 2 2 47 47 GLU HB2 H 1 2.27 0.005 . 1 . . . . 47 GLU HB2 . 6806 1 1326 . 2 2 47 47 GLU HB3 H 1 2.27 0.005 . 1 . . . . 47 GLU HB3 . 6806 1 1327 . 2 2 47 47 GLU HG2 H 1 2.45 0.005 . 2 . . . . 47 GLU HG2 . 6806 1 1328 . 2 2 47 47 GLU HG3 H 1 2.42 0.005 . 2 . . . . 47 GLU HG3 . 6806 1 1329 . 2 2 47 47 GLU C C 13 179.0 0.05 . 1 . . . . 47 GLU C . 6806 1 1330 . 2 2 47 47 GLU CA C 13 59.1 0.05 . 1 . . . . 47 GLU CA . 6806 1 1331 . 2 2 47 47 GLU CB C 13 29.3 0.05 . 1 . . . . 47 GLU CB . 6806 1 1332 . 2 2 47 47 GLU CG C 13 35.7 0.05 . 1 . . . . 47 GLU CG . 6806 1 1333 . 2 2 47 47 GLU N N 15 120.7 0.05 . 1 . . . . 47 GLU N . 6806 1 1334 . 2 2 48 48 ALA H H 1 8.53 0.005 . 1 . . . . 48 ALA H . 6806 1 1335 . 2 2 48 48 ALA HA H 1 3.73 0.005 . 1 . . . . 48 ALA HA . 6806 1 1336 . 2 2 48 48 ALA HB1 H 1 0.60 0.005 . 1 . . . . 48 ALA HB . 6806 1 1337 . 2 2 48 48 ALA HB2 H 1 0.60 0.005 . 1 . . . . 48 ALA HB . 6806 1 1338 . 2 2 48 48 ALA HB3 H 1 0.60 0.005 . 1 . . . . 48 ALA HB . 6806 1 1339 . 2 2 48 48 ALA C C 13 179.6 0.05 . 1 . . . . 48 ALA C . 6806 1 1340 . 2 2 48 48 ALA CA C 13 55.3 0.05 . 1 . . . . 48 ALA CA . 6806 1 1341 . 2 2 48 48 ALA CB C 13 17.6 0.05 . 1 . . . . 48 ALA CB . 6806 1 1342 . 2 2 48 48 ALA N N 15 124.7 0.05 . 1 . . . . 48 ALA N . 6806 1 1343 . 2 2 49 49 LYS H H 1 8.32 0.005 . 1 . . . . 49 LYS H . 6806 1 1344 . 2 2 49 49 LYS HA H 1 3.78 0.005 . 1 . . . . 49 LYS HA . 6806 1 1345 . 2 2 49 49 LYS HB2 H 1 1.95 0.005 . 2 . . . . 49 LYS HB2 . 6806 1 1346 . 2 2 49 49 LYS HB3 H 1 1.80 0.005 . 2 . . . . 49 LYS HB3 . 6806 1 1347 . 2 2 49 49 LYS HG2 H 1 1.60 0.005 . 2 . . . . 49 LYS HG2 . 6806 1 1348 . 2 2 49 49 LYS HG3 H 1 1.32 0.005 . 2 . . . . 49 LYS HG3 . 6806 1 1349 . 2 2 49 49 LYS HD2 H 1 1.62 0.005 . 1 . . . . 49 LYS HD2 . 6806 1 1350 . 2 2 49 49 LYS HD3 H 1 1.62 0.005 . 1 . . . . 49 LYS HD3 . 6806 1 1351 . 2 2 49 49 LYS HE2 H 1 2.91 0.005 . 2 . . . . 49 LYS HE2 . 6806 1 1352 . 2 2 49 49 LYS HE3 H 1 2.75 0.005 . 2 . . . . 49 LYS HE3 . 6806 1 1353 . 2 2 49 49 LYS C C 13 179.0 0.05 . 1 . . . . 49 LYS C . 6806 1 1354 . 2 2 49 49 LYS CA C 13 60.3 0.05 . 1 . . . . 49 LYS CA . 6806 1 1355 . 2 2 49 49 LYS CB C 13 32.2 0.05 . 1 . . . . 49 LYS CB . 6806 1 1356 . 2 2 49 49 LYS CG C 13 26.7 0.05 . 1 . . . . 49 LYS CG . 6806 1 1357 . 2 2 49 49 LYS CD C 13 29.4 0.05 . 1 . . . . 49 LYS CD . 6806 1 1358 . 2 2 49 49 LYS CE C 13 41.9 0.05 . 1 . . . . 49 LYS CE . 6806 1 1359 . 2 2 49 49 LYS N N 15 119.0 0.05 . 1 . . . . 49 LYS N . 6806 1 1360 . 2 2 50 50 LYS H H 1 7.74 0.005 . 1 . . . . 50 LYS H . 6806 1 1361 . 2 2 50 50 LYS HA H 1 4.13 0.005 . 1 . . . . 50 LYS HA . 6806 1 1362 . 2 2 50 50 LYS HB2 H 1 1.94 0.005 . 1 . . . . 50 LYS HB2 . 6806 1 1363 . 2 2 50 50 LYS HB3 H 1 1.94 0.005 . 1 . . . . 50 LYS HB3 . 6806 1 1364 . 2 2 50 50 LYS HG2 H 1 1.61 0.005 . 2 . . . . 50 LYS HG2 . 6806 1 1365 . 2 2 50 50 LYS HG3 H 1 1.40 0.005 . 2 . . . . 50 LYS HG3 . 6806 1 1366 . 2 2 50 50 LYS HD2 H 1 1.68 0.005 . 1 . . . . 50 LYS HD2 . 6806 1 1367 . 2 2 50 50 LYS HD3 H 1 1.68 0.005 . 1 . . . . 50 LYS HD3 . 6806 1 1368 . 2 2 50 50 LYS HE2 H 1 2.94 0.005 . 1 . . . . 50 LYS HE2 . 6806 1 1369 . 2 2 50 50 LYS HE3 H 1 2.94 0.005 . 1 . . . . 50 LYS HE3 . 6806 1 1370 . 2 2 50 50 LYS C C 13 179.8 0.05 . 1 . . . . 50 LYS C . 6806 1 1371 . 2 2 50 50 LYS CA C 13 59.6 0.05 . 1 . . . . 50 LYS CA . 6806 1 1372 . 2 2 50 50 LYS CB C 13 32.4 0.05 . 1 . . . . 50 LYS CB . 6806 1 1373 . 2 2 50 50 LYS CG C 13 25.0 0.05 . 1 . . . . 50 LYS CG . 6806 1 1374 . 2 2 50 50 LYS CD C 13 28.9 0.05 . 1 . . . . 50 LYS CD . 6806 1 1375 . 2 2 50 50 LYS CE C 13 41.9 0.05 . 1 . . . . 50 LYS CE . 6806 1 1376 . 2 2 50 50 LYS N N 15 121.2 0.05 . 1 . . . . 50 LYS N . 6806 1 1377 . 2 2 51 51 LEU H H 1 8.23 0.005 . 1 . . . . 51 LEU H . 6806 1 1378 . 2 2 51 51 LEU HA H 1 4.15 0.005 . 1 . . . . 51 LEU HA . 6806 1 1379 . 2 2 51 51 LEU HB2 H 1 1.79 0.005 . 2 . . . . 51 LEU HB2 . 6806 1 1380 . 2 2 51 51 LEU HB3 H 1 1.74 0.005 . 2 . . . . 51 LEU HB3 . 6806 1 1381 . 2 2 51 51 LEU HG H 1 1.55 0.005 . 1 . . . . 51 LEU HG . 6806 1 1382 . 2 2 51 51 LEU HD11 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 1383 . 2 2 51 51 LEU HD12 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 1384 . 2 2 51 51 LEU HD13 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6806 1 1385 . 2 2 51 51 LEU HD21 H 1 0.98 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 1386 . 2 2 51 51 LEU HD22 H 1 0.98 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 1387 . 2 2 51 51 LEU HD23 H 1 0.98 0.005 . 1 . . . . 51 LEU HD2 . 6806 1 1388 . 2 2 51 51 LEU C C 13 178.2 0.05 . 1 . . . . 51 LEU C . 6806 1 1389 . 2 2 51 51 LEU CA C 13 57.5 0.05 . 1 . . . . 51 LEU CA . 6806 1 1390 . 2 2 51 51 LEU CB C 13 42.1 0.05 . 1 . . . . 51 LEU CB . 6806 1 1391 . 2 2 51 51 LEU CG C 13 26.6 0.05 . 1 . . . . 51 LEU CG . 6806 1 1392 . 2 2 51 51 LEU CD1 C 13 23.8 0.05 . 1 . . . . 51 LEU CD1 . 6806 1 1393 . 2 2 51 51 LEU CD2 C 13 24.7 0.05 . 1 . . . . 51 LEU CD2 . 6806 1 1394 . 2 2 51 51 LEU N N 15 123.5 0.05 . 1 . . . . 51 LEU N . 6806 1 1395 . 2 2 52 52 ASN H H 1 8.56 0.005 . 1 . . . . 52 ASN H . 6806 1 1396 . 2 2 52 52 ASN HA H 1 3.95 0.005 . 1 . . . . 52 ASN HA . 6806 1 1397 . 2 2 52 52 ASN HB2 H 1 3.10 0.005 . 2 . . . . 52 ASN HB2 . 6806 1 1398 . 2 2 52 52 ASN HB3 H 1 2.40 0.005 . 2 . . . . 52 ASN HB3 . 6806 1 1399 . 2 2 52 52 ASN HD21 H 1 6.89 0.005 . 2 . . . . 52 ASN HD21 . 6806 1 1400 . 2 2 52 52 ASN HD22 H 1 8.00 0.005 . 2 . . . . 52 ASN HD22 . 6806 1 1401 . 2 2 52 52 ASN C C 13 177.6 0.05 . 1 . . . . 52 ASN C . 6806 1 1402 . 2 2 52 52 ASN CA C 13 57.8 0.05 . 1 . . . . 52 ASN CA . 6806 1 1403 . 2 2 52 52 ASN CB C 13 41.4 0.05 . 1 . . . . 52 ASN CB . 6806 1 1404 . 2 2 52 52 ASN N N 15 117.6 0.05 . 1 . . . . 52 ASN N . 6806 1 1405 . 2 2 52 52 ASN ND2 N 15 117.2 0.05 . 1 . . . . 52 ASN ND2 . 6806 1 1406 . 2 2 53 53 ASP H H 1 7.99 0.005 . 1 . . . . 53 ASP H . 6806 1 1407 . 2 2 53 53 ASP HA H 1 4.47 0.005 . 1 . . . . 53 ASP HA . 6806 1 1408 . 2 2 53 53 ASP HB2 H 1 2.73 0.005 . 1 . . . . 53 ASP HB2 . 6806 1 1409 . 2 2 53 53 ASP HB3 H 1 2.73 0.005 . 1 . . . . 53 ASP HB3 . 6806 1 1410 . 2 2 53 53 ASP C C 13 178.9 0.05 . 1 . . . . 53 ASP C . 6806 1 1411 . 2 2 53 53 ASP CA C 13 57.0 0.05 . 1 . . . . 53 ASP CA . 6806 1 1412 . 2 2 53 53 ASP CB C 13 40.0 0.05 . 1 . . . . 53 ASP CB . 6806 1 1413 . 2 2 53 53 ASP N N 15 119.5 0.05 . 1 . . . . 53 ASP N . 6806 1 1414 . 2 2 54 54 ALA H H 1 8.09 0.005 . 1 . . . . 54 ALA H . 6806 1 1415 . 2 2 54 54 ALA HA H 1 4.22 0.005 . 1 . . . . 54 ALA HA . 6806 1 1416 . 2 2 54 54 ALA HB1 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6806 1 1417 . 2 2 54 54 ALA HB2 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6806 1 1418 . 2 2 54 54 ALA HB3 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6806 1 1419 . 2 2 54 54 ALA C C 13 179.4 0.05 . 1 . . . . 54 ALA C . 6806 1 1420 . 2 2 54 54 ALA CA C 13 54.3 0.05 . 1 . . . . 54 ALA CA . 6806 1 1421 . 2 2 54 54 ALA CB C 13 18.4 0.05 . 1 . . . . 54 ALA CB . 6806 1 1422 . 2 2 54 54 ALA N N 15 123.7 0.05 . 1 . . . . 54 ALA N . 6806 1 1423 . 2 2 55 55 GLN H H 1 7.54 0.005 . 1 . . . . 55 GLN H . 6806 1 1424 . 2 2 55 55 GLN HA H 1 4.37 0.005 . 1 . . . . 55 GLN HA . 6806 1 1425 . 2 2 55 55 GLN HB2 H 1 1.72 0.005 . 1 . . . . 55 GLN HB2 . 6806 1 1426 . 2 2 55 55 GLN HB3 H 1 2.48 0.005 . 1 . . . . 55 GLN HB3 . 6806 1 1427 . 2 2 55 55 GLN HG2 H 1 2.32 0.005 . 2 . . . . 55 GLN HG2 . 6806 1 1428 . 2 2 55 55 GLN HG3 H 1 2.63 0.005 . 2 . . . . 55 GLN HG3 . 6806 1 1429 . 2 2 55 55 GLN HE21 H 1 7.22 0.005 . 2 . . . . 55 GLN HE21 . 6806 1 1430 . 2 2 55 55 GLN HE22 H 1 8.54 0.005 . 2 . . . . 55 GLN HE22 . 6806 1 1431 . 2 2 55 55 GLN C C 13 174.1 0.05 . 1 . . . . 55 GLN C . 6806 1 1432 . 2 2 55 55 GLN CA C 13 54.9 0.05 . 1 . . . . 55 GLN CA . 6806 1 1433 . 2 2 55 55 GLN CB C 13 28.1 0.05 . 1 . . . . 55 GLN CB . 6806 1 1434 . 2 2 55 55 GLN CG C 13 35.7 0.05 . 1 . . . . 55 GLN CG . 6806 1 1435 . 2 2 55 55 GLN N N 15 115.6 0.05 . 1 . . . . 55 GLN N . 6806 1 1436 . 2 2 55 55 GLN NE2 N 15 111.5 0.05 . 1 . . . . 55 GLN NE2 . 6806 1 1437 . 2 2 56 56 ALA H H 1 7.10 0.005 . 1 . . . . 56 ALA H . 6806 1 1438 . 2 2 56 56 ALA HA H 1 4.33 0.005 . 1 . . . . 56 ALA HA . 6806 1 1439 . 2 2 56 56 ALA HB1 H 1 1.44 0.005 . 1 . . . . 56 ALA HB . 6806 1 1440 . 2 2 56 56 ALA HB2 H 1 1.44 0.005 . 1 . . . . 56 ALA HB . 6806 1 1441 . 2 2 56 56 ALA HB3 H 1 1.44 0.005 . 1 . . . . 56 ALA HB . 6806 1 1442 . 2 2 56 56 ALA C C 13 175.5 0.05 . 1 . . . . 56 ALA C . 6806 1 1443 . 2 2 56 56 ALA CA C 13 50.9 0.05 . 1 . . . . 56 ALA CA . 6806 1 1444 . 2 2 56 56 ALA CB C 13 17.9 0.05 . 1 . . . . 56 ALA CB . 6806 1 1445 . 2 2 56 56 ALA N N 15 125.2 0.05 . 1 . . . . 56 ALA N . 6806 1 1446 . 2 2 57 57 PRO HA H 1 4.42 0.005 . 1 . . . . 57 PRO HA . 6806 1 1447 . 2 2 57 57 PRO HB2 H 1 2.31 0.005 . 2 . . . . 57 PRO HB2 . 6806 1 1448 . 2 2 57 57 PRO HB3 H 1 1.96 0.005 . 2 . . . . 57 PRO HB3 . 6806 1 1449 . 2 2 57 57 PRO HG2 H 1 2.09 0.005 . 2 . . . . 57 PRO HG2 . 6806 1 1450 . 2 2 57 57 PRO HG3 H 1 2.06 0.005 . 2 . . . . 57 PRO HG3 . 6806 1 1451 . 2 2 57 57 PRO HD2 H 1 3.79 0.005 . 2 . . . . 57 PRO HD2 . 6806 1 1452 . 2 2 57 57 PRO HD3 H 1 3.63 0.005 . 2 . . . . 57 PRO HD3 . 6806 1 1453 . 2 2 57 57 PRO C C 13 176.2 0.05 . 1 . . . . 57 PRO C . 6806 1 1454 . 2 2 57 57 PRO CA C 13 63.2 0.05 . 1 . . . . 57 PRO CA . 6806 1 1455 . 2 2 57 57 PRO CB C 13 31.7 0.05 . 1 . . . . 57 PRO CB . 6806 1 1456 . 2 2 57 57 PRO CG C 13 27.4 0.05 . 1 . . . . 57 PRO CG . 6806 1 1457 . 2 2 57 57 PRO CD C 13 50.4 0.05 . 1 . . . . 57 PRO CD . 6806 1 1458 . 2 2 58 58 LYS H H 1 8.04 0.005 . 1 . . . . 58 LYS H . 6806 1 1459 . 2 2 58 58 LYS HA H 1 4.17 0.005 . 1 . . . . 58 LYS HA . 6806 1 1460 . 2 2 58 58 LYS HB2 H 1 1.70 0.005 . 1 . . . . 58 LYS HB2 . 6806 1 1461 . 2 2 58 58 LYS HB3 H 1 1.85 0.005 . 1 . . . . 58 LYS HB3 . 6806 1 1462 . 2 2 58 58 LYS HG2 H 1 1.43 0.005 . 1 . . . . 58 LYS HG2 . 6806 1 1463 . 2 2 58 58 LYS HG3 H 1 1.43 0.005 . 1 . . . . 58 LYS HG3 . 6806 1 1464 . 2 2 58 58 LYS HD2 H 1 1.67 0.005 . 1 . . . . 58 LYS HD2 . 6806 1 1465 . 2 2 58 58 LYS HD3 H 1 1.67 0.005 . 1 . . . . 58 LYS HD3 . 6806 1 1466 . 2 2 58 58 LYS HE2 H 1 3.02 0.005 . 1 . . . . 58 LYS HE2 . 6806 1 1467 . 2 2 58 58 LYS HE3 H 1 3.02 0.005 . 1 . . . . 58 LYS HE3 . 6806 1 1468 . 2 2 58 58 LYS C C 13 181.6 0.05 . 1 . . . . 58 LYS C . 6806 1 1469 . 2 2 58 58 LYS CA C 13 57.3 0.05 . 1 . . . . 58 LYS CA . 6806 1 1470 . 2 2 58 58 LYS CB C 13 33.8 0.05 . 1 . . . . 58 LYS CB . 6806 1 1471 . 2 2 58 58 LYS CG C 13 24.6 0.05 . 1 . . . . 58 LYS CG . 6806 1 1472 . 2 2 58 58 LYS CD C 13 28.7 0.05 . 1 . . . . 58 LYS CD . 6806 1 1473 . 2 2 58 58 LYS CE C 13 42.3 0.05 . 1 . . . . 58 LYS CE . 6806 1 1474 . 2 2 58 58 LYS N N 15 128.0 0.05 . 1 . . . . 58 LYS N . 6806 1 stop_ save_