data_6781 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6781 _Entry.Title ; Resonance Assignments for the ADA2-like Swirm domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-17 _Entry.Accession_date 2005-08-17 _Entry.Last_release_date 2006-09-11 _Entry.Original_release_date 2006-09-11 _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 Chengmin Qian . . . 6781 2 Lei Zeng . . . 6781 3 Qiang Zhang . . . 6781 4 Ming-Ming Zhou . . . 6781 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6781 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 6781 '15N chemical shifts' 83 6781 '1H chemical shifts' 566 6781 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-09-11 2005-08-17 original author . 6781 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AQE 'BMRB Entry Tracking System' 6781 PDB 2AQF 'BMRB Entry Tracking System' 6781 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6781 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16299514 _Citation.Full_citation . _Citation.Title 'Resonance Assignments for the ADA2-like Swirm domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 12 _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 1078 _Citation.Page_last 1085 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chengmin Qian . . . 6781 1 2 Qiang Zhang . . . 6781 1 3 S. Li . . . 6781 1 4 Lei Zeng . . . 6781 1 5 M. Walsh . J. . 6781 1 6 Ming-Ming Zhou . . . 6781 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6781 _Assembly.ID 1 _Assembly.Name 'ada2 swirm domain polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ada2 swirm domain polypeptide' 1 $ADA2_swirm_domain . . no native no no . . . 6781 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ADA2_swirm_domain _Entity.Sf_category entity _Entity.Sf_framecode ADA2_swirm_domain _Entity.Entry_ID 6781 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ADA2 swirm domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSNSGRRSAPPLNLTGLPGT EKLNEKEKELCQVVRLVPGA YLEYKSALLNECHKQGGLRL AQARALIKIDVNKTRKIYDF LIREGYITKA ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AQE . "Structural And Functional Analysis Of Ada2 Alpha Swirm Domain" . . . . . 100.00 90 100.00 100.00 3.66e-57 . . . . 6781 1 2 no PDB 2AQF . "Structural And Functional Analysis Of Ada2 Alpha Swirm Domain" . . . . . 100.00 90 100.00 100.00 3.66e-57 . . . . 6781 1 3 no PDB 2CUJ . "Solution Structure Of Swirm Domain Of Mouse Transcriptional Adaptor 2-Like" . . . . . 98.89 108 100.00 100.00 1.19e-56 . . . . 6781 1 4 no DBJ BAC38925 . "unnamed protein product [Mus musculus]" . . . . . 100.00 125 98.89 98.89 8.87e-57 . . . . 6781 1 5 no DBJ BAE34272 . "unnamed protein product [Mus musculus]" . . . . . 100.00 443 98.89 98.89 2.09e-53 . . . . 6781 1 6 no GB AAH25448 . "Tada2l protein, partial [Mus musculus]" . . . . . 100.00 312 98.89 98.89 4.41e-53 . . . . 6781 1 7 no GB AAH38821 . "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Mus musculus]" . . . . . 100.00 443 98.89 98.89 2.50e-53 . . . . 6781 1 8 no GB AAH79084 . "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Rattus norvegicus]" . . . . . 100.00 443 98.89 98.89 2.09e-53 . . . . 6781 1 9 no GB AAI02759 . "Transcriptional adaptor 2 (ADA2 homolog, yeast)-like [Bos taurus]" . . . . . 98.89 443 97.75 100.00 7.89e-52 . . . . 6781 1 10 no GB ABL63422 . "transcriptional adapter 2-like protein [Rattus norvegicus]" . . . . . 100.00 443 98.89 98.89 2.09e-53 . . . . 6781 1 11 no REF NP_001012141 . "transcriptional adapter 2-alpha [Rattus norvegicus]" . . . . . 100.00 443 98.89 98.89 2.09e-53 . . . . 6781 1 12 no REF NP_001029416 . "transcriptional adapter 2-alpha [Bos taurus]" . . . . . 98.89 443 97.75 100.00 7.89e-52 . . . . 6781 1 13 no REF NP_766150 . "transcriptional adapter 2-alpha [Mus musculus]" . . . . . 100.00 443 98.89 98.89 2.50e-53 . . . . 6781 1 14 no REF XP_003512470 . "PREDICTED: transcriptional adapter 2-alpha [Cricetulus griseus]" . . . . . 100.00 443 97.78 98.89 3.12e-52 . . . . 6781 1 15 no REF XP_004012486 . "PREDICTED: transcriptional adapter 2-alpha [Ovis aries]" . . . . . 98.89 443 97.75 100.00 9.24e-52 . . . . 6781 1 16 no SP Q3SZP8 . "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Bos tauru" . . . . . 98.89 443 97.75 100.00 7.89e-52 . . . . 6781 1 17 no SP Q6AYE3 . "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Rattus no" . . . . . 100.00 443 98.89 98.89 2.09e-53 . . . . 6781 1 18 no SP Q8CHV6 . "RecName: Full=Transcriptional adapter 2-alpha; AltName: Full=Transcriptional adapter 2-like; Short=ADA2-like protein [Mus muscu" . . . . . 100.00 443 98.89 98.89 2.50e-53 . . . . 6781 1 19 no TPG DAA19118 . "TPA: transcriptional adapter 2-alpha [Bos taurus]" . . . . . 98.89 443 97.75 100.00 7.89e-52 . . . . 6781 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6781 1 2 . SER . 6781 1 3 . ASN . 6781 1 4 . SER . 6781 1 5 . GLY . 6781 1 6 . ARG . 6781 1 7 . ARG . 6781 1 8 . SER . 6781 1 9 . ALA . 6781 1 10 . PRO . 6781 1 11 . PRO . 6781 1 12 . LEU . 6781 1 13 . ASN . 6781 1 14 . LEU . 6781 1 15 . THR . 6781 1 16 . GLY . 6781 1 17 . LEU . 6781 1 18 . PRO . 6781 1 19 . GLY . 6781 1 20 . THR . 6781 1 21 . GLU . 6781 1 22 . LYS . 6781 1 23 . LEU . 6781 1 24 . ASN . 6781 1 25 . GLU . 6781 1 26 . LYS . 6781 1 27 . GLU . 6781 1 28 . LYS . 6781 1 29 . GLU . 6781 1 30 . LEU . 6781 1 31 . CYS . 6781 1 32 . GLN . 6781 1 33 . VAL . 6781 1 34 . VAL . 6781 1 35 . ARG . 6781 1 36 . LEU . 6781 1 37 . VAL . 6781 1 38 . PRO . 6781 1 39 . GLY . 6781 1 40 . ALA . 6781 1 41 . TYR . 6781 1 42 . LEU . 6781 1 43 . GLU . 6781 1 44 . TYR . 6781 1 45 . LYS . 6781 1 46 . SER . 6781 1 47 . ALA . 6781 1 48 . LEU . 6781 1 49 . LEU . 6781 1 50 . ASN . 6781 1 51 . GLU . 6781 1 52 . CYS . 6781 1 53 . HIS . 6781 1 54 . LYS . 6781 1 55 . GLN . 6781 1 56 . GLY . 6781 1 57 . GLY . 6781 1 58 . LEU . 6781 1 59 . ARG . 6781 1 60 . LEU . 6781 1 61 . ALA . 6781 1 62 . GLN . 6781 1 63 . ALA . 6781 1 64 . ARG . 6781 1 65 . ALA . 6781 1 66 . LEU . 6781 1 67 . ILE . 6781 1 68 . LYS . 6781 1 69 . ILE . 6781 1 70 . ASP . 6781 1 71 . VAL . 6781 1 72 . ASN . 6781 1 73 . LYS . 6781 1 74 . THR . 6781 1 75 . ARG . 6781 1 76 . LYS . 6781 1 77 . ILE . 6781 1 78 . TYR . 6781 1 79 . ASP . 6781 1 80 . PHE . 6781 1 81 . LEU . 6781 1 82 . ILE . 6781 1 83 . ARG . 6781 1 84 . GLU . 6781 1 85 . GLY . 6781 1 86 . TYR . 6781 1 87 . ILE . 6781 1 88 . THR . 6781 1 89 . LYS . 6781 1 90 . ALA . 6781 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6781 1 . SER 2 2 6781 1 . ASN 3 3 6781 1 . SER 4 4 6781 1 . GLY 5 5 6781 1 . ARG 6 6 6781 1 . ARG 7 7 6781 1 . SER 8 8 6781 1 . ALA 9 9 6781 1 . PRO 10 10 6781 1 . PRO 11 11 6781 1 . LEU 12 12 6781 1 . ASN 13 13 6781 1 . LEU 14 14 6781 1 . THR 15 15 6781 1 . GLY 16 16 6781 1 . LEU 17 17 6781 1 . PRO 18 18 6781 1 . GLY 19 19 6781 1 . THR 20 20 6781 1 . GLU 21 21 6781 1 . LYS 22 22 6781 1 . LEU 23 23 6781 1 . ASN 24 24 6781 1 . GLU 25 25 6781 1 . LYS 26 26 6781 1 . GLU 27 27 6781 1 . LYS 28 28 6781 1 . GLU 29 29 6781 1 . LEU 30 30 6781 1 . CYS 31 31 6781 1 . GLN 32 32 6781 1 . VAL 33 33 6781 1 . VAL 34 34 6781 1 . ARG 35 35 6781 1 . LEU 36 36 6781 1 . VAL 37 37 6781 1 . PRO 38 38 6781 1 . GLY 39 39 6781 1 . ALA 40 40 6781 1 . TYR 41 41 6781 1 . LEU 42 42 6781 1 . GLU 43 43 6781 1 . TYR 44 44 6781 1 . LYS 45 45 6781 1 . SER 46 46 6781 1 . ALA 47 47 6781 1 . LEU 48 48 6781 1 . LEU 49 49 6781 1 . ASN 50 50 6781 1 . GLU 51 51 6781 1 . CYS 52 52 6781 1 . HIS 53 53 6781 1 . LYS 54 54 6781 1 . GLN 55 55 6781 1 . GLY 56 56 6781 1 . GLY 57 57 6781 1 . LEU 58 58 6781 1 . ARG 59 59 6781 1 . LEU 60 60 6781 1 . ALA 61 61 6781 1 . GLN 62 62 6781 1 . ALA 63 63 6781 1 . ARG 64 64 6781 1 . ALA 65 65 6781 1 . LEU 66 66 6781 1 . ILE 67 67 6781 1 . LYS 68 68 6781 1 . ILE 69 69 6781 1 . ASP 70 70 6781 1 . VAL 71 71 6781 1 . ASN 72 72 6781 1 . LYS 73 73 6781 1 . THR 74 74 6781 1 . ARG 75 75 6781 1 . LYS 76 76 6781 1 . ILE 77 77 6781 1 . TYR 78 78 6781 1 . ASP 79 79 6781 1 . PHE 80 80 6781 1 . LEU 81 81 6781 1 . ILE 82 82 6781 1 . ARG 83 83 6781 1 . GLU 84 84 6781 1 . GLY 85 85 6781 1 . TYR 86 86 6781 1 . ILE 87 87 6781 1 . THR 88 88 6781 1 . LYS 89 89 6781 1 . ALA 90 90 6781 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6781 _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 $ADA2_swirm_domain . 10090 organism no . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6781 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 6781 _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 $ADA2_swirm_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6781 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6781 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ada2 swirm domain' '[U-13C; U-15N]' . . 1 $ADA2_swirm_domain . . 0.5 . . mM . . . . 6781 1 2 NaPi . . . . . . . 50 . . mM . . . . 6781 1 3 NaCl . . . . . . . 100 . . mM . . . . 6781 1 4 DTT . . . . . . . 2 . . mM . . . . 6781 1 5 EDTA . . . . . . . 0.02 . . mM . . . . 6781 1 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 6781 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50 mM NaPi, pH=6.5 100mM NaCl, 2mM DTT 0.02mM EDTA ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . . 6781 1 temperature 278 0.1 K 6781 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6781 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6781 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6781 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 2 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 4 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 5 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 6 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 7 '3D 15N-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 1 8 13C-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6781 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 6781 _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 . . . 1 $entry_citation . . 1 $entry_citation 6781 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6781 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6781 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 6781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6781 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN CA C 13 53.72 0.30 . 1 . . . . 3 ASN CA . 6781 1 2 . 1 1 3 3 ASN CB C 13 39.17 0.30 . 1 . . . . 3 ASN CB . 6781 1 3 . 1 1 4 4 SER H H 1 8.39 0.03 . 1 . . . . 4 SER H . 6781 1 4 . 1 1 4 4 SER HA H 1 4.43 0.03 . 1 . . . . 4 SER HA . 6781 1 5 . 1 1 4 4 SER HB2 H 1 3.92 0.03 . 1 . . . . 4 SER HB2 . 6781 1 6 . 1 1 4 4 SER CA C 13 59.11 0.30 . 1 . . . . 4 SER CA . 6781 1 7 . 1 1 4 4 SER CB C 13 63.69 0.30 . 1 . . . . 4 SER CB . 6781 1 8 . 1 1 4 4 SER N N 15 116.27 0.30 . 1 . . . . 4 SER N . 6781 1 9 . 1 1 5 5 GLY H H 1 8.50 0.03 . 1 . . . . 5 GLY H . 6781 1 10 . 1 1 5 5 GLY HA2 H 1 3.98 0.03 . 1 . . . . 5 GLY HA2 . 6781 1 11 . 1 1 5 5 GLY CA C 13 45.60 0.30 . 1 . . . . 5 GLY CA . 6781 1 12 . 1 1 5 5 GLY N N 15 110.83 0.30 . 1 . . . . 5 GLY N . 6781 1 13 . 1 1 6 6 ARG H H 1 8.17 0.03 . 1 . . . . 6 ARG H . 6781 1 14 . 1 1 6 6 ARG HA H 1 4.36 0.03 . 1 . . . . 6 ARG HA . 6781 1 15 . 1 1 6 6 ARG HB2 H 1 1.87 0.03 . 1 . . . . 6 ARG HB2 . 6781 1 16 . 1 1 6 6 ARG HB3 H 1 1.79 0.03 . 1 . . . . 6 ARG HB3 . 6781 1 17 . 1 1 6 6 ARG HG2 H 1 1.64 0.03 . 1 . . . . 6 ARG HG2 . 6781 1 18 . 1 1 6 6 ARG CA C 13 56.23 0.30 . 1 . . . . 6 ARG CA . 6781 1 19 . 1 1 6 6 ARG CB C 13 31.02 0.30 . 1 . . . . 6 ARG CB . 6781 1 20 . 1 1 6 6 ARG N N 15 120.73 0.30 . 1 . . . . 6 ARG N . 6781 1 21 . 1 1 7 7 ARG H H 1 8.54 0.03 . 1 . . . . 7 ARG H . 6781 1 22 . 1 1 7 7 ARG HA H 1 4.41 0.03 . 1 . . . . 7 ARG HA . 6781 1 23 . 1 1 7 7 ARG HB2 H 1 1.91 0.03 . 1 . . . . 7 ARG HB2 . 6781 1 24 . 1 1 7 7 ARG HB3 H 1 1.80 0.03 . 1 . . . . 7 ARG HB3 . 6781 1 25 . 1 1 7 7 ARG HG2 H 1 1.66 0.03 . 1 . . . . 7 ARG HG2 . 6781 1 26 . 1 1 7 7 ARG CA C 13 56.34 0.30 . 1 . . . . 7 ARG CA . 6781 1 27 . 1 1 7 7 ARG CB C 13 31.15 0.30 . 1 . . . . 7 ARG CB . 6781 1 28 . 1 1 7 7 ARG N N 15 122.87 0.30 . 1 . . . . 7 ARG N . 6781 1 29 . 1 1 8 8 SER H H 1 8.40 0.03 . 1 . . . . 8 SER H . 6781 1 30 . 1 1 8 8 SER HA H 1 4.45 0.03 . 1 . . . . 8 SER HA . 6781 1 31 . 1 1 8 8 SER HB2 H 1 3.87 0.03 . 1 . . . . 8 SER HB2 . 6781 1 32 . 1 1 8 8 SER CA C 13 58.29 0.30 . 1 . . . . 8 SER CA . 6781 1 33 . 1 1 8 8 SER CB C 13 64.09 0.30 . 1 . . . . 8 SER CB . 6781 1 34 . 1 1 8 8 SER N N 15 117.59 0.30 . 1 . . . . 8 SER N . 6781 1 35 . 1 1 9 9 ALA H H 1 8.37 0.03 . 1 . . . . 9 ALA H . 6781 1 36 . 1 1 9 9 ALA HA H 1 4.64 0.03 . 1 . . . . 9 ALA HA . 6781 1 37 . 1 1 9 9 ALA HB1 H 1 1.36 0.03 . 1 . . . . 9 ALA HB . 6781 1 38 . 1 1 9 9 ALA HB2 H 1 1.36 0.03 . 1 . . . . 9 ALA HB . 6781 1 39 . 1 1 9 9 ALA HB3 H 1 1.36 0.03 . 1 . . . . 9 ALA HB . 6781 1 40 . 1 1 9 9 ALA CA C 13 50.63 0.30 . 1 . . . . 9 ALA CA . 6781 1 41 . 1 1 9 9 ALA CB C 13 18.36 0.30 . 1 . . . . 9 ALA CB . 6781 1 42 . 1 1 9 9 ALA N N 15 122.90 0.30 . 1 . . . . 9 ALA N . 6781 1 43 . 1 1 10 10 PRO HA H 1 4.72 0.03 . 1 . . . . 10 PRO HA . 6781 1 44 . 1 1 10 10 PRO HB2 H 1 2.37 0.03 . 1 . . . . 10 PRO HB2 . 6781 1 45 . 1 1 10 10 PRO HB3 H 1 1.92 0.03 . 1 . . . . 10 PRO HB3 . 6781 1 46 . 1 1 10 10 PRO HG2 H 1 2.04 0.03 . 1 . . . . 10 PRO HG2 . 6781 1 47 . 1 1 10 10 PRO HD2 H 1 3.81 0.03 . 1 . . . . 10 PRO HD2 . 6781 1 48 . 1 1 10 10 PRO HD3 H 1 3.65 0.03 . 1 . . . . 10 PRO HD3 . 6781 1 49 . 1 1 10 10 PRO CA C 13 61.74 0.30 . 1 . . . . 10 PRO CA . 6781 1 50 . 1 1 10 10 PRO CB C 13 30.91 0.30 . 1 . . . . 10 PRO CB . 6781 1 51 . 1 1 10 10 PRO CG C 13 27.55 0.30 . 1 . . . . 10 PRO CG . 6781 1 52 . 1 1 10 10 PRO CD C 13 50.65 0.30 . 1 . . . . 10 PRO CD . 6781 1 53 . 1 1 11 11 PRO HA H 1 4.46 0.03 . 1 . . . . 11 PRO HA . 6781 1 54 . 1 1 11 11 PRO HB2 H 1 2.21 0.03 . 1 . . . . 11 PRO HB2 . 6781 1 55 . 1 1 11 11 PRO HB3 H 1 1.84 0.03 . 1 . . . . 11 PRO HB3 . 6781 1 56 . 1 1 11 11 PRO HG2 H 1 2.03 0.03 . 1 . . . . 11 PRO HG2 . 6781 1 57 . 1 1 11 11 PRO HD2 H 1 3.80 0.03 . 1 . . . . 11 PRO HD2 . 6781 1 58 . 1 1 11 11 PRO HD3 H 1 3.66 0.03 . 1 . . . . 11 PRO HD3 . 6781 1 59 . 1 1 11 11 PRO CB C 13 32.34 0.30 . 1 . . . . 11 PRO CB . 6781 1 60 . 1 1 11 11 PRO CG C 13 27.45 0.30 . 1 . . . . 11 PRO CG . 6781 1 61 . 1 1 11 11 PRO CD C 13 50.63 0.30 . 1 . . . . 11 PRO CD . 6781 1 62 . 1 1 12 12 LEU H H 1 8.55 0.03 . 1 . . . . 12 LEU H . 6781 1 63 . 1 1 12 12 LEU HA H 1 4.24 0.03 . 1 . . . . 12 LEU HA . 6781 1 64 . 1 1 12 12 LEU HB2 H 1 1.63 0.03 . 1 . . . . 12 LEU HB2 . 6781 1 65 . 1 1 12 12 LEU HB3 H 1 1.40 0.03 . 1 . . . . 12 LEU HB3 . 6781 1 66 . 1 1 12 12 LEU HG H 1 1.48 0.03 . 1 . . . . 12 LEU HG . 6781 1 67 . 1 1 12 12 LEU HD11 H 1 0.71 0.03 . 1 . . . . 12 LEU HD1 . 6781 1 68 . 1 1 12 12 LEU HD12 H 1 0.71 0.03 . 1 . . . . 12 LEU HD1 . 6781 1 69 . 1 1 12 12 LEU HD13 H 1 0.71 0.03 . 1 . . . . 12 LEU HD1 . 6781 1 70 . 1 1 12 12 LEU HD21 H 1 0.85 0.03 . 1 . . . . 12 LEU HD2 . 6781 1 71 . 1 1 12 12 LEU HD22 H 1 0.85 0.03 . 1 . . . . 12 LEU HD2 . 6781 1 72 . 1 1 12 12 LEU HD23 H 1 0.85 0.03 . 1 . . . . 12 LEU HD2 . 6781 1 73 . 1 1 12 12 LEU CA C 13 55.29 0.30 . 1 . . . . 12 LEU CA . 6781 1 74 . 1 1 12 12 LEU CB C 13 43.68 0.30 . 1 . . . . 12 LEU CB . 6781 1 75 . 1 1 12 12 LEU CG C 13 27.22 0.30 . 1 . . . . 12 LEU CG . 6781 1 76 . 1 1 12 12 LEU CD1 C 13 24.99 0.30 . 1 . . . . 12 LEU CD1 . 6781 1 77 . 1 1 12 12 LEU CD2 C 13 24.25 0.30 . 1 . . . . 12 LEU CD2 . 6781 1 78 . 1 1 12 12 LEU N N 15 123.14 0.30 . 1 . . . . 12 LEU N . 6781 1 79 . 1 1 13 13 ASN H H 1 8.50 0.03 . 1 . . . . 13 ASN H . 6781 1 80 . 1 1 13 13 ASN HA H 1 4.72 0.03 . 1 . . . . 13 ASN HA . 6781 1 81 . 1 1 13 13 ASN HB2 H 1 2.94 0.03 . 1 . . . . 13 ASN HB2 . 6781 1 82 . 1 1 13 13 ASN HB3 H 1 2.77 0.03 . 1 . . . . 13 ASN HB3 . 6781 1 83 . 1 1 13 13 ASN CA C 13 52.78 0.30 . 1 . . . . 13 ASN CA . 6781 1 84 . 1 1 13 13 ASN CB C 13 38.58 0.30 . 1 . . . . 13 ASN CB . 6781 1 85 . 1 1 13 13 ASN N N 15 122.07 0.30 . 1 . . . . 13 ASN N . 6781 1 86 . 1 1 14 14 LEU H H 1 8.70 0.03 . 1 . . . . 14 LEU H . 6781 1 87 . 1 1 14 14 LEU HA H 1 4.32 0.03 . 1 . . . . 14 LEU HA . 6781 1 88 . 1 1 14 14 LEU HB2 H 1 1.74 0.03 . 1 . . . . 14 LEU HB2 . 6781 1 89 . 1 1 14 14 LEU HG H 1 1.73 0.03 . 1 . . . . 14 LEU HG . 6781 1 90 . 1 1 14 14 LEU HD11 H 1 0.76 0.03 . 1 . . . . 14 LEU HD1 . 6781 1 91 . 1 1 14 14 LEU HD12 H 1 0.76 0.03 . 1 . . . . 14 LEU HD1 . 6781 1 92 . 1 1 14 14 LEU HD13 H 1 0.76 0.03 . 1 . . . . 14 LEU HD1 . 6781 1 93 . 1 1 14 14 LEU HD21 H 1 0.95 0.03 . 1 . . . . 14 LEU HD2 . 6781 1 94 . 1 1 14 14 LEU HD22 H 1 0.95 0.03 . 1 . . . . 14 LEU HD2 . 6781 1 95 . 1 1 14 14 LEU HD23 H 1 0.95 0.03 . 1 . . . . 14 LEU HD2 . 6781 1 96 . 1 1 14 14 LEU CA C 13 55.31 0.30 . 1 . . . . 14 LEU CA . 6781 1 97 . 1 1 14 14 LEU CB C 13 41.98 0.30 . 1 . . . . 14 LEU CB . 6781 1 98 . 1 1 14 14 LEU CG C 13 27.26 0.30 . 1 . . . . 14 LEU CG . 6781 1 99 . 1 1 14 14 LEU CD1 C 13 23.35 0.30 . 1 . . . . 14 LEU CD1 . 6781 1 100 . 1 1 14 14 LEU CD2 C 13 26.00 0.30 . 1 . . . . 14 LEU CD2 . 6781 1 101 . 1 1 14 14 LEU N N 15 123.63 0.30 . 1 . . . . 14 LEU N . 6781 1 102 . 1 1 15 15 THR H H 1 8.13 0.03 . 1 . . . . 15 THR H . 6781 1 103 . 1 1 15 15 THR HA H 1 4.02 0.03 . 1 . . . . 15 THR HA . 6781 1 104 . 1 1 15 15 THR HB H 1 4.14 0.03 . 1 . . . . 15 THR HB . 6781 1 105 . 1 1 15 15 THR HG21 H 1 1.24 0.03 . 1 . . . . 15 THR HG2 . 6781 1 106 . 1 1 15 15 THR HG22 H 1 1.24 0.03 . 1 . . . . 15 THR HG2 . 6781 1 107 . 1 1 15 15 THR HG23 H 1 1.24 0.03 . 1 . . . . 15 THR HG2 . 6781 1 108 . 1 1 15 15 THR CA C 13 64.57 0.30 . 1 . . . . 15 THR CA . 6781 1 109 . 1 1 15 15 THR CB C 13 69.11 0.30 . 1 . . . . 15 THR CB . 6781 1 110 . 1 1 15 15 THR CG2 C 13 21.61 0.30 . 1 . . . . 15 THR CG2 . 6781 1 111 . 1 1 15 15 THR N N 15 115.65 0.30 . 1 . . . . 15 THR N . 6781 1 112 . 1 1 16 16 GLY H H 1 8.81 0.03 . 1 . . . . 16 GLY H . 6781 1 113 . 1 1 16 16 GLY HA2 H 1 4.07 0.03 . 1 . . . . 16 GLY HA2 . 6781 1 114 . 1 1 16 16 GLY HA3 H 1 3.87 0.03 . 1 . . . . 16 GLY HA3 . 6781 1 115 . 1 1 16 16 GLY CA C 13 45.36 0.30 . 1 . . . . 16 GLY CA . 6781 1 116 . 1 1 16 16 GLY N N 15 113.31 0.30 . 1 . . . . 16 GLY N . 6781 1 117 . 1 1 17 17 LEU H H 1 7.82 0.03 . 1 . . . . 17 LEU H . 6781 1 118 . 1 1 17 17 LEU HA H 1 4.68 0.03 . 1 . . . . 17 LEU HA . 6781 1 119 . 1 1 17 17 LEU HB2 H 1 1.75 0.03 . 1 . . . . 17 LEU HB2 . 6781 1 120 . 1 1 17 17 LEU HB3 H 1 1.49 0.03 . 1 . . . . 17 LEU HB3 . 6781 1 121 . 1 1 17 17 LEU HG H 1 1.67 0.03 . 1 . . . . 17 LEU HG . 6781 1 122 . 1 1 17 17 LEU HD11 H 1 0.95 0.03 . 1 . . . . 17 LEU HD1 . 6781 1 123 . 1 1 17 17 LEU HD12 H 1 0.95 0.03 . 1 . . . . 17 LEU HD1 . 6781 1 124 . 1 1 17 17 LEU HD13 H 1 0.95 0.03 . 1 . . . . 17 LEU HD1 . 6781 1 125 . 1 1 17 17 LEU HD21 H 1 0.99 0.03 . 1 . . . . 17 LEU HD2 . 6781 1 126 . 1 1 17 17 LEU HD22 H 1 0.99 0.03 . 1 . . . . 17 LEU HD2 . 6781 1 127 . 1 1 17 17 LEU HD23 H 1 0.99 0.03 . 1 . . . . 17 LEU HD2 . 6781 1 128 . 1 1 17 17 LEU CA C 13 53.17 0.30 . 1 . . . . 17 LEU CA . 6781 1 129 . 1 1 17 17 LEU CB C 13 40.98 0.30 . 1 . . . . 17 LEU CB . 6781 1 130 . 1 1 17 17 LEU CG C 13 27.15 0.30 . 1 . . . . 17 LEU CG . 6781 1 131 . 1 1 17 17 LEU CD1 C 13 22.71 0.30 . 1 . . . . 17 LEU CD1 . 6781 1 132 . 1 1 17 17 LEU CD2 C 13 26.64 0.30 . 1 . . . . 17 LEU CD2 . 6781 1 133 . 1 1 17 17 LEU N N 15 121.47 0.30 . 1 . . . . 17 LEU N . 6781 1 134 . 1 1 18 18 PRO HA H 1 4.46 0.03 . 1 . . . . 18 PRO HA . 6781 1 135 . 1 1 18 18 PRO HB2 H 1 2.33 0.03 . 1 . . . . 18 PRO HB2 . 6781 1 136 . 1 1 18 18 PRO HB3 H 1 1.93 0.03 . 1 . . . . 18 PRO HB3 . 6781 1 137 . 1 1 18 18 PRO HG2 H 1 2.14 0.03 . 1 . . . . 18 PRO HG2 . 6781 1 138 . 1 1 18 18 PRO HD2 H 1 3.96 0.03 . 1 . . . . 18 PRO HD2 . 6781 1 139 . 1 1 18 18 PRO HD3 H 1 3.68 0.03 . 1 . . . . 18 PRO HD3 . 6781 1 140 . 1 1 18 18 PRO CA C 13 64.03 0.30 . 1 . . . . 18 PRO CA . 6781 1 141 . 1 1 18 18 PRO CB C 13 31.89 0.30 . 1 . . . . 18 PRO CB . 6781 1 142 . 1 1 18 18 PRO CG C 13 27.95 0.30 . 1 . . . . 18 PRO CG . 6781 1 143 . 1 1 18 18 PRO CD C 13 50.87 0.30 . 1 . . . . 18 PRO CD . 6781 1 144 . 1 1 19 19 GLY H H 1 8.83 0.03 . 1 . . . . 19 GLY H . 6781 1 145 . 1 1 19 19 GLY HA2 H 1 4.10 0.03 . 1 . . . . 19 GLY HA2 . 6781 1 146 . 1 1 19 19 GLY HA3 H 1 3.61 0.03 . 1 . . . . 19 GLY HA3 . 6781 1 147 . 1 1 19 19 GLY CA C 13 45.84 0.30 . 1 . . . . 19 GLY CA . 6781 1 148 . 1 1 19 19 GLY N N 15 112.04 0.30 . 1 . . . . 19 GLY N . 6781 1 149 . 1 1 20 20 THR H H 1 7.85 0.03 . 1 . . . . 20 THR H . 6781 1 150 . 1 1 20 20 THR HA H 1 3.75 0.03 . 1 . . . . 20 THR HA . 6781 1 151 . 1 1 20 20 THR HB H 1 4.24 0.03 . 1 . . . . 20 THR HB . 6781 1 152 . 1 1 20 20 THR HG21 H 1 1.22 0.03 . 1 . . . . 20 THR HG2 . 6781 1 153 . 1 1 20 20 THR HG22 H 1 1.22 0.03 . 1 . . . . 20 THR HG2 . 6781 1 154 . 1 1 20 20 THR HG23 H 1 1.22 0.03 . 1 . . . . 20 THR HG2 . 6781 1 155 . 1 1 20 20 THR CA C 13 66.16 0.30 . 1 . . . . 20 THR CA . 6781 1 156 . 1 1 20 20 THR CB C 13 69.11 0.30 . 1 . . . . 20 THR CB . 6781 1 157 . 1 1 20 20 THR CG2 C 13 23.29 0.30 . 1 . . . . 20 THR CG2 . 6781 1 158 . 1 1 20 20 THR N N 15 116.18 0.30 . 1 . . . . 20 THR N . 6781 1 159 . 1 1 21 21 GLU H H 1 9.41 0.03 . 1 . . . . 21 GLU H . 6781 1 160 . 1 1 21 21 GLU HA H 1 4.33 0.03 . 1 . . . . 21 GLU HA . 6781 1 161 . 1 1 21 21 GLU HB2 H 1 2.12 0.03 . 1 . . . . 21 GLU HB2 . 6781 1 162 . 1 1 21 21 GLU HG2 H 1 2.43 0.03 . 1 . . . . 21 GLU HG2 . 6781 1 163 . 1 1 21 21 GLU HG3 H 1 2.18 0.03 . 1 . . . . 21 GLU HG3 . 6781 1 164 . 1 1 21 21 GLU CA C 13 58.02 0.30 . 1 . . . . 21 GLU CA . 6781 1 165 . 1 1 21 21 GLU CB C 13 28.49 0.30 . 1 . . . . 21 GLU CB . 6781 1 166 . 1 1 21 21 GLU CG C 13 36.08 0.30 . 1 . . . . 21 GLU CG . 6781 1 167 . 1 1 21 21 GLU N N 15 120.00 0.30 . 1 . . . . 21 GLU N . 6781 1 168 . 1 1 22 22 LYS H H 1 7.91 0.03 . 1 . . . . 22 LYS H . 6781 1 169 . 1 1 22 22 LYS HA H 1 4.36 0.03 . 1 . . . . 22 LYS HA . 6781 1 170 . 1 1 22 22 LYS HB2 H 1 2.00 0.03 . 1 . . . . 22 LYS HB2 . 6781 1 171 . 1 1 22 22 LYS HB3 H 1 1.89 0.03 . 1 . . . . 22 LYS HB3 . 6781 1 172 . 1 1 22 22 LYS HG2 H 1 1.44 0.03 . 1 . . . . 22 LYS HG2 . 6781 1 173 . 1 1 22 22 LYS HD2 H 1 1.64 0.03 . 1 . . . . 22 LYS HD2 . 6781 1 174 . 1 1 22 22 LYS HE2 H 1 2.99 0.03 . 1 . . . . 22 LYS HE2 . 6781 1 175 . 1 1 22 22 LYS CA C 13 56.05 0.30 . 1 . . . . 22 LYS CA . 6781 1 176 . 1 1 22 22 LYS CB C 13 33.35 0.30 . 1 . . . . 22 LYS CB . 6781 1 177 . 1 1 22 22 LYS CG C 13 25.48 0.30 . 1 . . . . 22 LYS CG . 6781 1 178 . 1 1 22 22 LYS CE C 13 42.15 0.30 . 1 . . . . 22 LYS CE . 6781 1 179 . 1 1 22 22 LYS N N 15 119.86 0.30 . 1 . . . . 22 LYS N . 6781 1 180 . 1 1 23 23 LEU H H 1 7.59 0.03 . 1 . . . . 23 LEU H . 6781 1 181 . 1 1 23 23 LEU HA H 1 4.60 0.03 . 1 . . . . 23 LEU HA . 6781 1 182 . 1 1 23 23 LEU HB2 H 1 1.84 0.03 . 1 . . . . 23 LEU HB2 . 6781 1 183 . 1 1 23 23 LEU HB3 H 1 1.65 0.03 . 1 . . . . 23 LEU HB3 . 6781 1 184 . 1 1 23 23 LEU HG H 1 1.93 0.03 . 1 . . . . 23 LEU HG . 6781 1 185 . 1 1 23 23 LEU HD11 H 1 0.82 0.03 . 1 . . . . 23 LEU HD1 . 6781 1 186 . 1 1 23 23 LEU HD12 H 1 0.82 0.03 . 1 . . . . 23 LEU HD1 . 6781 1 187 . 1 1 23 23 LEU HD13 H 1 0.82 0.03 . 1 . . . . 23 LEU HD1 . 6781 1 188 . 1 1 23 23 LEU HD21 H 1 0.85 0.03 . 1 . . . . 23 LEU HD2 . 6781 1 189 . 1 1 23 23 LEU HD22 H 1 0.85 0.03 . 1 . . . . 23 LEU HD2 . 6781 1 190 . 1 1 23 23 LEU HD23 H 1 0.85 0.03 . 1 . . . . 23 LEU HD2 . 6781 1 191 . 1 1 23 23 LEU CA C 13 54.32 0.30 . 1 . . . . 23 LEU CA . 6781 1 192 . 1 1 23 23 LEU CB C 13 43.72 0.30 . 1 . . . . 23 LEU CB . 6781 1 193 . 1 1 23 23 LEU CG C 13 27.45 0.30 . 1 . . . . 23 LEU CG . 6781 1 194 . 1 1 23 23 LEU CD1 C 13 24.02 0.30 . 1 . . . . 23 LEU CD1 . 6781 1 195 . 1 1 23 23 LEU CD2 C 13 26.96 0.30 . 1 . . . . 23 LEU CD2 . 6781 1 196 . 1 1 23 23 LEU N N 15 120.20 0.30 . 1 . . . . 23 LEU N . 6781 1 197 . 1 1 24 24 ASN H H 1 9.16 0.03 . 1 . . . . 24 ASN H . 6781 1 198 . 1 1 24 24 ASN HA H 1 4.99 0.03 . 1 . . . . 24 ASN HA . 6781 1 199 . 1 1 24 24 ASN HB2 H 1 3.46 0.03 . 1 . . . . 24 ASN HB2 . 6781 1 200 . 1 1 24 24 ASN HB3 H 1 2.99 0.03 . 1 . . . . 24 ASN HB3 . 6781 1 201 . 1 1 24 24 ASN CA C 13 51.55 0.30 . 1 . . . . 24 ASN CA . 6781 1 202 . 1 1 24 24 ASN CB C 13 38.47 0.30 . 1 . . . . 24 ASN CB . 6781 1 203 . 1 1 24 24 ASN N N 15 120.13 0.30 . 1 . . . . 24 ASN N . 6781 1 204 . 1 1 25 25 GLU H H 1 8.71 0.03 . 1 . . . . 25 GLU H . 6781 1 205 . 1 1 25 25 GLU HA H 1 3.93 0.03 . 1 . . . . 25 GLU HA . 6781 1 206 . 1 1 25 25 GLU HB2 H 1 2.12 0.03 . 1 . . . . 25 GLU HB2 . 6781 1 207 . 1 1 25 25 GLU HG2 H 1 2.43 0.03 . 1 . . . . 25 GLU HG2 . 6781 1 208 . 1 1 25 25 GLU CA C 13 60.66 0.30 . 1 . . . . 25 GLU CA . 6781 1 209 . 1 1 25 25 GLU CB C 13 29.67 0.30 . 1 . . . . 25 GLU CB . 6781 1 210 . 1 1 25 25 GLU CG C 13 36.52 0.30 . 1 . . . . 25 GLU CG . 6781 1 211 . 1 1 25 25 GLU N N 15 117.59 0.30 . 1 . . . . 25 GLU N . 6781 1 212 . 1 1 26 26 LYS H H 1 8.14 0.03 . 1 . . . . 26 LYS H . 6781 1 213 . 1 1 26 26 LYS HA H 1 4.23 0.03 . 1 . . . . 26 LYS HA . 6781 1 214 . 1 1 26 26 LYS HB2 H 1 2.24 0.03 . 1 . . . . 26 LYS HB2 . 6781 1 215 . 1 1 26 26 LYS HB3 H 1 2.08 0.03 . 1 . . . . 26 LYS HB3 . 6781 1 216 . 1 1 26 26 LYS HG2 H 1 1.73 0.03 . 1 . . . . 26 LYS HG2 . 6781 1 217 . 1 1 26 26 LYS HG3 H 1 1.59 0.03 . 1 . . . . 26 LYS HG3 . 6781 1 218 . 1 1 26 26 LYS HE2 H 1 3.04 0.03 . 1 . . . . 26 LYS HE2 . 6781 1 219 . 1 1 26 26 LYS CA C 13 59.50 0.30 . 1 . . . . 26 LYS CA . 6781 1 220 . 1 1 26 26 LYS CB C 13 32.58 0.30 . 1 . . . . 26 LYS CB . 6781 1 221 . 1 1 26 26 LYS CG C 13 26.06 0.30 . 1 . . . . 26 LYS CG . 6781 1 222 . 1 1 26 26 LYS N N 15 119.26 0.30 . 1 . . . . 26 LYS N . 6781 1 223 . 1 1 27 27 GLU H H 1 8.50 0.03 . 1 . . . . 27 GLU H . 6781 1 224 . 1 1 27 27 GLU HA H 1 3.45 0.03 . 1 . . . . 27 GLU HA . 6781 1 225 . 1 1 27 27 GLU HB2 H 1 2.36 0.03 . 1 . . . . 27 GLU HB2 . 6781 1 226 . 1 1 27 27 GLU HB3 H 1 1.62 0.03 . 1 . . . . 27 GLU HB3 . 6781 1 227 . 1 1 27 27 GLU HG2 H 1 2.90 0.03 . 1 . . . . 27 GLU HG2 . 6781 1 228 . 1 1 27 27 GLU HG3 H 1 2.28 0.03 . 1 . . . . 27 GLU HG3 . 6781 1 229 . 1 1 27 27 GLU CA C 13 59.01 0.30 . 1 . . . . 27 GLU CA . 6781 1 230 . 1 1 27 27 GLU CB C 13 31.40 0.30 . 1 . . . . 27 GLU CB . 6781 1 231 . 1 1 27 27 GLU CG C 13 38.30 0.30 . 1 . . . . 27 GLU CG . 6781 1 232 . 1 1 27 27 GLU N N 15 121.20 0.30 . 1 . . . . 27 GLU N . 6781 1 233 . 1 1 28 28 LYS H H 1 8.37 0.03 . 1 . . . . 28 LYS H . 6781 1 234 . 1 1 28 28 LYS HA H 1 3.66 0.03 . 1 . . . . 28 LYS HA . 6781 1 235 . 1 1 28 28 LYS HB2 H 1 1.90 0.03 . 1 . . . . 28 LYS HB2 . 6781 1 236 . 1 1 28 28 LYS HB3 H 1 1.83 0.03 . 1 . . . . 28 LYS HB3 . 6781 1 237 . 1 1 28 28 LYS HG2 H 1 1.62 0.03 . 1 . . . . 28 LYS HG2 . 6781 1 238 . 1 1 28 28 LYS HG3 H 1 1.18 0.03 . 1 . . . . 28 LYS HG3 . 6781 1 239 . 1 1 28 28 LYS HD2 H 1 1.68 0.03 . 1 . . . . 28 LYS HD2 . 6781 1 240 . 1 1 28 28 LYS HD3 H 1 1.62 0.03 . 1 . . . . 28 LYS HD3 . 6781 1 241 . 1 1 28 28 LYS HE2 H 1 2.90 0.03 . 1 . . . . 28 LYS HE2 . 6781 1 242 . 1 1 28 28 LYS HE3 H 1 2.84 0.03 . 1 . . . . 28 LYS HE3 . 6781 1 243 . 1 1 28 28 LYS CA C 13 60.83 0.30 . 1 . . . . 28 LYS CA . 6781 1 244 . 1 1 28 28 LYS CB C 13 32.38 0.30 . 1 . . . . 28 LYS CB . 6781 1 245 . 1 1 28 28 LYS CG C 13 27.34 0.30 . 1 . . . . 28 LYS CG . 6781 1 246 . 1 1 28 28 LYS CD C 13 29.92 0.30 . 1 . . . . 28 LYS CD . 6781 1 247 . 1 1 28 28 LYS CE C 13 42.17 0.30 . 1 . . . . 28 LYS CE . 6781 1 248 . 1 1 28 28 LYS N N 15 120.60 0.30 . 1 . . . . 28 LYS N . 6781 1 249 . 1 1 29 29 GLU H H 1 7.37 0.03 . 1 . . . . 29 GLU H . 6781 1 250 . 1 1 29 29 GLU HA H 1 4.01 0.03 . 1 . . . . 29 GLU HA . 6781 1 251 . 1 1 29 29 GLU HB2 H 1 2.10 0.03 . 1 . . . . 29 GLU HB2 . 6781 1 252 . 1 1 29 29 GLU HG2 H 1 2.38 0.03 . 1 . . . . 29 GLU HG2 . 6781 1 253 . 1 1 29 29 GLU HG3 H 1 2.20 0.03 . 1 . . . . 29 GLU HG3 . 6781 1 254 . 1 1 29 29 GLU CA C 13 59.50 0.30 . 1 . . . . 29 GLU CA . 6781 1 255 . 1 1 29 29 GLU CB C 13 29.50 0.30 . 1 . . . . 29 GLU CB . 6781 1 256 . 1 1 29 29 GLU CG C 13 36.33 0.30 . 1 . . . . 29 GLU CG . 6781 1 257 . 1 1 29 29 GLU N N 15 118.47 0.30 . 1 . . . . 29 GLU N . 6781 1 258 . 1 1 30 30 LEU H H 1 7.53 0.03 . 1 . . . . 30 LEU H . 6781 1 259 . 1 1 30 30 LEU HA H 1 3.94 0.03 . 1 . . . . 30 LEU HA . 6781 1 260 . 1 1 30 30 LEU HB2 H 1 1.37 0.03 . 1 . . . . 30 LEU HB2 . 6781 1 261 . 1 1 30 30 LEU HB3 H 1 0.79 0.03 . 1 . . . . 30 LEU HB3 . 6781 1 262 . 1 1 30 30 LEU HG H 1 1.05 0.03 . 1 . . . . 30 LEU HG . 6781 1 263 . 1 1 30 30 LEU HD11 H 1 0.60 0.03 . 1 . . . . 30 LEU HD1 . 6781 1 264 . 1 1 30 30 LEU HD12 H 1 0.60 0.03 . 1 . . . . 30 LEU HD1 . 6781 1 265 . 1 1 30 30 LEU HD13 H 1 0.60 0.03 . 1 . . . . 30 LEU HD1 . 6781 1 266 . 1 1 30 30 LEU HD21 H 1 0.21 0.03 . 1 . . . . 30 LEU HD2 . 6781 1 267 . 1 1 30 30 LEU HD22 H 1 0.21 0.03 . 1 . . . . 30 LEU HD2 . 6781 1 268 . 1 1 30 30 LEU HD23 H 1 0.21 0.03 . 1 . . . . 30 LEU HD2 . 6781 1 269 . 1 1 30 30 LEU CA C 13 58.06 0.30 . 1 . . . . 30 LEU CA . 6781 1 270 . 1 1 30 30 LEU CB C 13 41.26 0.30 . 1 . . . . 30 LEU CB . 6781 1 271 . 1 1 30 30 LEU CD1 C 13 23.51 0.30 . 1 . . . . 30 LEU CD1 . 6781 1 272 . 1 1 30 30 LEU CD2 C 13 26.22 0.30 . 1 . . . . 30 LEU CD2 . 6781 1 273 . 1 1 30 30 LEU N N 15 120.47 0.30 . 1 . . . . 30 LEU N . 6781 1 274 . 1 1 31 31 CYS H H 1 8.03 0.03 . 1 . . . . 31 CYS H . 6781 1 275 . 1 1 31 31 CYS HA H 1 3.76 0.03 . 1 . . . . 31 CYS HA . 6781 1 276 . 1 1 31 31 CYS HB2 H 1 3.23 0.03 . 1 . . . . 31 CYS HB2 . 6781 1 277 . 1 1 31 31 CYS HB3 H 1 2.82 0.03 . 1 . . . . 31 CYS HB3 . 6781 1 278 . 1 1 31 31 CYS CA C 13 65.91 0.30 . 1 . . . . 31 CYS CA . 6781 1 279 . 1 1 31 31 CYS CB C 13 26.28 0.30 . 1 . . . . 31 CYS CB . 6781 1 280 . 1 1 31 31 CYS N N 15 115.05 0.30 . 1 . . . . 31 CYS N . 6781 1 281 . 1 1 32 32 GLN H H 1 7.71 0.03 . 1 . . . . 32 GLN H . 6781 1 282 . 1 1 32 32 GLN HA H 1 4.17 0.03 . 1 . . . . 32 GLN HA . 6781 1 283 . 1 1 32 32 GLN HB2 H 1 2.36 0.03 . 1 . . . . 32 GLN HB2 . 6781 1 284 . 1 1 32 32 GLN HB3 H 1 2.14 0.03 . 1 . . . . 32 GLN HB3 . 6781 1 285 . 1 1 32 32 GLN HG2 H 1 2.60 0.03 . 1 . . . . 32 GLN HG2 . 6781 1 286 . 1 1 32 32 GLN HG3 H 1 2.54 0.03 . 1 . . . . 32 GLN HG3 . 6781 1 287 . 1 1 32 32 GLN CA C 13 59.29 0.30 . 1 . . . . 32 GLN CA . 6781 1 288 . 1 1 32 32 GLN CB C 13 28.93 0.30 . 1 . . . . 32 GLN CB . 6781 1 289 . 1 1 32 32 GLN CG C 13 34.36 0.30 . 1 . . . . 32 GLN CG . 6781 1 290 . 1 1 32 32 GLN N N 15 116.72 0.30 . 1 . . . . 32 GLN N . 6781 1 291 . 1 1 33 33 VAL H H 1 8.09 0.03 . 1 . . . . 33 VAL H . 6781 1 292 . 1 1 33 33 VAL HA H 1 3.84 0.03 . 1 . . . . 33 VAL HA . 6781 1 293 . 1 1 33 33 VAL HB H 1 2.23 0.03 . 1 . . . . 33 VAL HB . 6781 1 294 . 1 1 33 33 VAL HG11 H 1 0.99 0.03 . 1 . . . . 33 VAL HG1 . 6781 1 295 . 1 1 33 33 VAL HG12 H 1 0.99 0.03 . 1 . . . . 33 VAL HG1 . 6781 1 296 . 1 1 33 33 VAL HG13 H 1 0.99 0.03 . 1 . . . . 33 VAL HG1 . 6781 1 297 . 1 1 33 33 VAL HG21 H 1 1.12 0.03 . 1 . . . . 33 VAL HG2 . 6781 1 298 . 1 1 33 33 VAL HG22 H 1 1.12 0.03 . 1 . . . . 33 VAL HG2 . 6781 1 299 . 1 1 33 33 VAL HG23 H 1 1.12 0.03 . 1 . . . . 33 VAL HG2 . 6781 1 300 . 1 1 33 33 VAL CA C 13 66.24 0.30 . 1 . . . . 33 VAL CA . 6781 1 301 . 1 1 33 33 VAL CB C 13 32.41 0.30 . 1 . . . . 33 VAL CB . 6781 1 302 . 1 1 33 33 VAL CG1 C 13 21.35 0.30 . 1 . . . . 33 VAL CG1 . 6781 1 303 . 1 1 33 33 VAL CG2 C 13 22.63 0.30 . 1 . . . . 33 VAL CG2 . 6781 1 304 . 1 1 33 33 VAL N N 15 118.93 0.30 . 1 . . . . 33 VAL N . 6781 1 305 . 1 1 34 34 VAL H H 1 8.51 0.03 . 1 . . . . 34 VAL H . 6781 1 306 . 1 1 34 34 VAL HA H 1 4.10 0.03 . 1 . . . . 34 VAL HA . 6781 1 307 . 1 1 34 34 VAL HB H 1 2.15 0.03 . 1 . . . . 34 VAL HB . 6781 1 308 . 1 1 34 34 VAL HG11 H 1 0.99 0.03 . 1 . . . . 34 VAL HG1 . 6781 1 309 . 1 1 34 34 VAL HG12 H 1 0.99 0.03 . 1 . . . . 34 VAL HG1 . 6781 1 310 . 1 1 34 34 VAL HG13 H 1 0.99 0.03 . 1 . . . . 34 VAL HG1 . 6781 1 311 . 1 1 34 34 VAL HG21 H 1 1.07 0.03 . 1 . . . . 34 VAL HG2 . 6781 1 312 . 1 1 34 34 VAL HG22 H 1 1.07 0.03 . 1 . . . . 34 VAL HG2 . 6781 1 313 . 1 1 34 34 VAL HG23 H 1 1.07 0.03 . 1 . . . . 34 VAL HG2 . 6781 1 314 . 1 1 34 34 VAL CA C 13 62.42 0.30 . 1 . . . . 34 VAL CA . 6781 1 315 . 1 1 34 34 VAL CB C 13 32.05 0.30 . 1 . . . . 34 VAL CB . 6781 1 316 . 1 1 34 34 VAL CG1 C 13 22.81 0.30 . 1 . . . . 34 VAL CG1 . 6781 1 317 . 1 1 34 34 VAL CG2 C 13 23.12 0.30 . 1 . . . . 34 VAL CG2 . 6781 1 318 . 1 1 34 34 VAL N N 15 114.97 0.30 . 1 . . . . 34 VAL N . 6781 1 319 . 1 1 35 35 ARG H H 1 7.45 0.03 . 1 . . . . 35 ARG H . 6781 1 320 . 1 1 35 35 ARG HA H 1 3.81 0.03 . 1 . . . . 35 ARG HA . 6781 1 321 . 1 1 35 35 ARG HB2 H 1 2.14 0.03 . 1 . . . . 35 ARG HB2 . 6781 1 322 . 1 1 35 35 ARG HB3 H 1 1.82 0.03 . 1 . . . . 35 ARG HB3 . 6781 1 323 . 1 1 35 35 ARG HG2 H 1 1.56 0.03 . 1 . . . . 35 ARG HG2 . 6781 1 324 . 1 1 35 35 ARG HD2 H 1 3.32 0.03 . 1 . . . . 35 ARG HD2 . 6781 1 325 . 1 1 35 35 ARG HD3 H 1 3.19 0.03 . 1 . . . . 35 ARG HD3 . 6781 1 326 . 1 1 35 35 ARG CA C 13 57.04 0.30 . 1 . . . . 35 ARG CA . 6781 1 327 . 1 1 35 35 ARG CB C 13 26.72 0.30 . 1 . . . . 35 ARG CB . 6781 1 328 . 1 1 35 35 ARG CG C 13 27.70 0.30 . 1 . . . . 35 ARG CG . 6781 1 329 . 1 1 35 35 ARG N N 15 117.32 0.30 . 1 . . . . 35 ARG N . 6781 1 330 . 1 1 36 36 LEU H H 1 8.31 0.03 . 1 . . . . 36 LEU H . 6781 1 331 . 1 1 36 36 LEU HA H 1 4.86 0.03 . 1 . . . . 36 LEU HA . 6781 1 332 . 1 1 36 36 LEU HB2 H 1 1.59 0.03 . 1 . . . . 36 LEU HB2 . 6781 1 333 . 1 1 36 36 LEU HB3 H 1 1.46 0.03 . 1 . . . . 36 LEU HB3 . 6781 1 334 . 1 1 36 36 LEU HG H 1 1.65 0.03 . 1 . . . . 36 LEU HG . 6781 1 335 . 1 1 36 36 LEU HD11 H 1 1.11 0.03 . 1 . . . . 36 LEU HD1 . 6781 1 336 . 1 1 36 36 LEU HD12 H 1 1.11 0.03 . 1 . . . . 36 LEU HD1 . 6781 1 337 . 1 1 36 36 LEU HD13 H 1 1.11 0.03 . 1 . . . . 36 LEU HD1 . 6781 1 338 . 1 1 36 36 LEU HD21 H 1 0.99 0.03 . 1 . . . . 36 LEU HD2 . 6781 1 339 . 1 1 36 36 LEU HD22 H 1 0.99 0.03 . 1 . . . . 36 LEU HD2 . 6781 1 340 . 1 1 36 36 LEU HD23 H 1 0.99 0.03 . 1 . . . . 36 LEU HD2 . 6781 1 341 . 1 1 36 36 LEU CA C 13 52.60 0.30 . 1 . . . . 36 LEU CA . 6781 1 342 . 1 1 36 36 LEU CB C 13 46.44 0.30 . 1 . . . . 36 LEU CB . 6781 1 343 . 1 1 36 36 LEU CG C 13 26.72 0.30 . 1 . . . . 36 LEU CG . 6781 1 344 . 1 1 36 36 LEU CD1 C 13 24.95 0.30 . 1 . . . . 36 LEU CD1 . 6781 1 345 . 1 1 36 36 LEU CD2 C 13 26.96 0.30 . 1 . . . . 36 LEU CD2 . 6781 1 346 . 1 1 36 36 LEU N N 15 121.13 0.30 . 1 . . . . 36 LEU N . 6781 1 347 . 1 1 37 37 VAL H H 1 8.13 0.03 . 1 . . . . 37 VAL H . 6781 1 348 . 1 1 37 37 VAL HA H 1 4.28 0.03 . 1 . . . . 37 VAL HA . 6781 1 349 . 1 1 37 37 VAL HB H 1 2.36 0.03 . 1 . . . . 37 VAL HB . 6781 1 350 . 1 1 37 37 VAL HG11 H 1 1.08 0.03 . 1 . . . . 37 VAL HG1 . 6781 1 351 . 1 1 37 37 VAL HG12 H 1 1.08 0.03 . 1 . . . . 37 VAL HG1 . 6781 1 352 . 1 1 37 37 VAL HG13 H 1 1.08 0.03 . 1 . . . . 37 VAL HG1 . 6781 1 353 . 1 1 37 37 VAL HG21 H 1 1.12 0.03 . 1 . . . . 37 VAL HG2 . 6781 1 354 . 1 1 37 37 VAL HG22 H 1 1.12 0.03 . 1 . . . . 37 VAL HG2 . 6781 1 355 . 1 1 37 37 VAL HG23 H 1 1.12 0.03 . 1 . . . . 37 VAL HG2 . 6781 1 356 . 1 1 37 37 VAL CA C 13 60.51 0.30 . 1 . . . . 37 VAL CA . 6781 1 357 . 1 1 37 37 VAL CB C 13 30.84 0.30 . 1 . . . . 37 VAL CB . 6781 1 358 . 1 1 37 37 VAL CG1 C 13 20.67 0.30 . 1 . . . . 37 VAL CG1 . 6781 1 359 . 1 1 37 37 VAL CG2 C 13 22.07 0.30 . 1 . . . . 37 VAL CG2 . 6781 1 360 . 1 1 37 37 VAL N N 15 117.37 0.30 . 1 . . . . 37 VAL N . 6781 1 361 . 1 1 38 38 PRO HA H 1 4.28 0.03 . 1 . . . . 38 PRO HA . 6781 1 362 . 1 1 38 38 PRO HB2 H 1 2.09 0.03 . 1 . . . . 38 PRO HB2 . 6781 1 363 . 1 1 38 38 PRO HG2 H 1 2.50 0.03 . 1 . . . . 38 PRO HG2 . 6781 1 364 . 1 1 38 38 PRO HG3 H 1 1.83 0.03 . 1 . . . . 38 PRO HG3 . 6781 1 365 . 1 1 38 38 PRO HD2 H 1 3.92 0.03 . 1 . . . . 38 PRO HD2 . 6781 1 366 . 1 1 38 38 PRO HD3 H 1 3.81 0.03 . 1 . . . . 38 PRO HD3 . 6781 1 367 . 1 1 38 38 PRO CA C 13 66.90 0.30 . 1 . . . . 38 PRO CA . 6781 1 368 . 1 1 38 38 PRO CB C 13 32.08 0.30 . 1 . . . . 38 PRO CB . 6781 1 369 . 1 1 38 38 PRO CG C 13 28.20 0.30 . 1 . . . . 38 PRO CG . 6781 1 370 . 1 1 38 38 PRO CD C 13 51.12 0.30 . 1 . . . . 38 PRO CD . 6781 1 371 . 1 1 39 39 GLY H H 1 9.01 0.03 . 1 . . . . 39 GLY H . 6781 1 372 . 1 1 39 39 GLY HA2 H 1 3.87 0.03 . 1 . . . . 39 GLY HA2 . 6781 1 373 . 1 1 39 39 GLY HA3 H 1 3.68 0.03 . 1 . . . . 39 GLY HA3 . 6781 1 374 . 1 1 39 39 GLY CA C 13 47.17 0.30 . 1 . . . . 39 GLY CA . 6781 1 375 . 1 1 39 39 GLY N N 15 119.13 0.30 . 1 . . . . 39 GLY N . 6781 1 376 . 1 1 40 40 ALA H H 1 7.16 0.03 . 1 . . . . 40 ALA H . 6781 1 377 . 1 1 40 40 ALA HA H 1 4.00 0.03 . 1 . . . . 40 ALA HA . 6781 1 378 . 1 1 40 40 ALA HB1 H 1 1.38 0.03 . 1 . . . . 40 ALA HB . 6781 1 379 . 1 1 40 40 ALA HB2 H 1 1.38 0.03 . 1 . . . . 40 ALA HB . 6781 1 380 . 1 1 40 40 ALA HB3 H 1 1.38 0.03 . 1 . . . . 40 ALA HB . 6781 1 381 . 1 1 40 40 ALA CA C 13 54.23 0.30 . 1 . . . . 40 ALA CA . 6781 1 382 . 1 1 40 40 ALA CB C 13 18.34 0.30 . 1 . . . . 40 ALA CB . 6781 1 383 . 1 1 40 40 ALA N N 15 123.74 0.30 . 1 . . . . 40 ALA N . 6781 1 384 . 1 1 41 41 TYR H H 1 7.63 0.03 . 1 . . . . 41 TYR H . 6781 1 385 . 1 1 41 41 TYR HA H 1 3.84 0.03 . 1 . . . . 41 TYR HA . 6781 1 386 . 1 1 41 41 TYR HB2 H 1 3.02 0.03 . 1 . . . . 41 TYR HB2 . 6781 1 387 . 1 1 41 41 TYR HB3 H 1 2.90 0.03 . 1 . . . . 41 TYR HB3 . 6781 1 388 . 1 1 41 41 TYR HD1 H 1 6.66 0.03 . 3 . . . . 41 TYR HD1 . 6781 1 389 . 1 1 41 41 TYR HE1 H 1 6.49 0.03 . 3 . . . . 41 TYR HE1 . 6781 1 390 . 1 1 41 41 TYR CA C 13 62.21 0.30 . 1 . . . . 41 TYR CA . 6781 1 391 . 1 1 41 41 TYR CB C 13 38.79 0.30 . 1 . . . . 41 TYR CB . 6781 1 392 . 1 1 41 41 TYR CD1 C 13 132.63 0.30 . 3 . . . . 41 TYR CD1 . 6781 1 393 . 1 1 41 41 TYR CE1 C 13 117.30 0.30 . 3 . . . . 41 TYR CE1 . 6781 1 394 . 1 1 41 41 TYR N N 15 116.04 0.30 . 1 . . . . 41 TYR N . 6781 1 395 . 1 1 42 42 LEU H H 1 8.56 0.03 . 1 . . . . 42 LEU H . 6781 1 396 . 1 1 42 42 LEU HA H 1 3.47 0.03 . 1 . . . . 42 LEU HA . 6781 1 397 . 1 1 42 42 LEU HB2 H 1 1.76 0.03 . 1 . . . . 42 LEU HB2 . 6781 1 398 . 1 1 42 42 LEU HB3 H 1 1.35 0.03 . 1 . . . . 42 LEU HB3 . 6781 1 399 . 1 1 42 42 LEU HG H 1 1.79 0.03 . 1 . . . . 42 LEU HG . 6781 1 400 . 1 1 42 42 LEU HD11 H 1 0.84 0.03 . 1 . . . . 42 LEU HD1 . 6781 1 401 . 1 1 42 42 LEU HD12 H 1 0.84 0.03 . 1 . . . . 42 LEU HD1 . 6781 1 402 . 1 1 42 42 LEU HD13 H 1 0.84 0.03 . 1 . . . . 42 LEU HD1 . 6781 1 403 . 1 1 42 42 LEU HD21 H 1 0.85 0.03 . 1 . . . . 42 LEU HD2 . 6781 1 404 . 1 1 42 42 LEU HD22 H 1 0.85 0.03 . 1 . . . . 42 LEU HD2 . 6781 1 405 . 1 1 42 42 LEU HD23 H 1 0.85 0.03 . 1 . . . . 42 LEU HD2 . 6781 1 406 . 1 1 42 42 LEU CA C 13 58.23 0.30 . 1 . . . . 42 LEU CA . 6781 1 407 . 1 1 42 42 LEU CB C 13 41.73 0.30 . 1 . . . . 42 LEU CB . 6781 1 408 . 1 1 42 42 LEU CG C 13 27.57 0.30 . 1 . . . . 42 LEU CG . 6781 1 409 . 1 1 42 42 LEU CD1 C 13 23.02 0.30 . 1 . . . . 42 LEU CD1 . 6781 1 410 . 1 1 42 42 LEU CD2 C 13 25.98 0.30 . 1 . . . . 42 LEU CD2 . 6781 1 411 . 1 1 42 42 LEU N N 15 117.12 0.30 . 1 . . . . 42 LEU N . 6781 1 412 . 1 1 43 43 GLU H H 1 7.18 0.03 . 1 . . . . 43 GLU H . 6781 1 413 . 1 1 43 43 GLU HA H 1 3.98 0.03 . 1 . . . . 43 GLU HA . 6781 1 414 . 1 1 43 43 GLU HB2 H 1 1.98 0.03 . 1 . . . . 43 GLU HB2 . 6781 1 415 . 1 1 43 43 GLU HG2 H 1 2.35 0.03 . 1 . . . . 43 GLU HG2 . 6781 1 416 . 1 1 43 43 GLU CA C 13 59.60 0.30 . 1 . . . . 43 GLU CA . 6781 1 417 . 1 1 43 43 GLU CB C 13 29.18 0.30 . 1 . . . . 43 GLU CB . 6781 1 418 . 1 1 43 43 GLU N N 15 121.00 0.30 . 1 . . . . 43 GLU N . 6781 1 419 . 1 1 44 44 TYR H H 1 8.07 0.03 . 1 . . . . 44 TYR H . 6781 1 420 . 1 1 44 44 TYR HA H 1 4.54 0.03 . 1 . . . . 44 TYR HA . 6781 1 421 . 1 1 44 44 TYR HB2 H 1 3.04 0.03 . 1 . . . . 44 TYR HB2 . 6781 1 422 . 1 1 44 44 TYR HD1 H 1 6.88 0.03 . 3 . . . . 44 TYR HD1 . 6781 1 423 . 1 1 44 44 TYR HE1 H 1 6.77 0.03 . 3 . . . . 44 TYR HE1 . 6781 1 424 . 1 1 44 44 TYR CA C 13 58.02 0.30 . 1 . . . . 44 TYR CA . 6781 1 425 . 1 1 44 44 TYR CB C 13 36.58 0.30 . 1 . . . . 44 TYR CB . 6781 1 426 . 1 1 44 44 TYR CD1 C 13 131.85 0.30 . 3 . . . . 44 TYR CD1 . 6781 1 427 . 1 1 44 44 TYR CE1 C 13 118.07 0.30 . 3 . . . . 44 TYR CE1 . 6781 1 428 . 1 1 44 44 TYR N N 15 121.80 0.30 . 1 . . . . 44 TYR N . 6781 1 429 . 1 1 45 45 LYS H H 1 9.20 0.03 . 1 . . . . 45 LYS H . 6781 1 430 . 1 1 45 45 LYS HA H 1 3.53 0.03 . 1 . . . . 45 LYS HA . 6781 1 431 . 1 1 45 45 LYS HB2 H 1 1.49 0.03 . 1 . . . . 45 LYS HB2 . 6781 1 432 . 1 1 45 45 LYS HB3 H 1 1.11 0.03 . 1 . . . . 45 LYS HB3 . 6781 1 433 . 1 1 45 45 LYS HG2 H 1 0.99 0.03 . 1 . . . . 45 LYS HG2 . 6781 1 434 . 1 1 45 45 LYS HG3 H 1 1.10 0.03 . 1 . . . . 45 LYS HG3 . 6781 1 435 . 1 1 45 45 LYS HD2 H 1 1.61 0.03 . 1 . . . . 45 LYS HD2 . 6781 1 436 . 1 1 45 45 LYS HD3 H 1 1.45 0.03 . 1 . . . . 45 LYS HD3 . 6781 1 437 . 1 1 45 45 LYS HE2 H 1 2.57 0.03 . 1 . . . . 45 LYS HE2 . 6781 1 438 . 1 1 45 45 LYS HE3 H 1 2.06 0.03 . 1 . . . . 45 LYS HE3 . 6781 1 439 . 1 1 45 45 LYS CA C 13 60.48 0.30 . 1 . . . . 45 LYS CA . 6781 1 440 . 1 1 45 45 LYS CB C 13 33.37 0.30 . 1 . . . . 45 LYS CB . 6781 1 441 . 1 1 45 45 LYS CG C 13 25.44 0.30 . 1 . . . . 45 LYS CG . 6781 1 442 . 1 1 45 45 LYS CD C 13 30.41 0.30 . 1 . . . . 45 LYS CD . 6781 1 443 . 1 1 45 45 LYS CE C 13 42.00 0.30 . 1 . . . . 45 LYS CE . 6781 1 444 . 1 1 45 45 LYS N N 15 120.00 0.30 . 1 . . . . 45 LYS N . 6781 1 445 . 1 1 46 46 SER H H 1 7.75 0.03 . 1 . . . . 46 SER H . 6781 1 446 . 1 1 46 46 SER HA H 1 4.11 0.03 . 1 . . . . 46 SER HA . 6781 1 447 . 1 1 46 46 SER HB2 H 1 3.95 0.03 . 1 . . . . 46 SER HB2 . 6781 1 448 . 1 1 46 46 SER CA C 13 61.97 0.30 . 1 . . . . 46 SER CA . 6781 1 449 . 1 1 46 46 SER CB C 13 62.95 0.30 . 1 . . . . 46 SER CB . 6781 1 450 . 1 1 46 46 SER N N 15 111.57 0.30 . 1 . . . . 46 SER N . 6781 1 451 . 1 1 47 47 ALA H H 1 8.00 0.03 . 1 . . . . 47 ALA H . 6781 1 452 . 1 1 47 47 ALA HA H 1 4.23 0.03 . 1 . . . . 47 ALA HA . 6781 1 453 . 1 1 47 47 ALA HB1 H 1 1.59 0.03 . 1 . . . . 47 ALA HB . 6781 1 454 . 1 1 47 47 ALA HB2 H 1 1.59 0.03 . 1 . . . . 47 ALA HB . 6781 1 455 . 1 1 47 47 ALA HB3 H 1 1.59 0.03 . 1 . . . . 47 ALA HB . 6781 1 456 . 1 1 47 47 ALA CA C 13 55.45 0.30 . 1 . . . . 47 ALA CA . 6781 1 457 . 1 1 47 47 ALA CB C 13 18.09 0.30 . 1 . . . . 47 ALA CB . 6781 1 458 . 1 1 47 47 ALA N N 15 122.94 0.30 . 1 . . . . 47 ALA N . 6781 1 459 . 1 1 48 48 LEU H H 1 8.52 0.03 . 1 . . . . 48 LEU H . 6781 1 460 . 1 1 48 48 LEU HA H 1 3.95 0.03 . 1 . . . . 48 LEU HA . 6781 1 461 . 1 1 48 48 LEU HB2 H 1 1.96 0.03 . 1 . . . . 48 LEU HB2 . 6781 1 462 . 1 1 48 48 LEU HB3 H 1 1.19 0.03 . 1 . . . . 48 LEU HB3 . 6781 1 463 . 1 1 48 48 LEU HG H 1 2.06 0.03 . 1 . . . . 48 LEU HG . 6781 1 464 . 1 1 48 48 LEU HD11 H 1 0.92 0.03 . 1 . . . . 48 LEU HD1 . 6781 1 465 . 1 1 48 48 LEU HD12 H 1 0.92 0.03 . 1 . . . . 48 LEU HD1 . 6781 1 466 . 1 1 48 48 LEU HD13 H 1 0.92 0.03 . 1 . . . . 48 LEU HD1 . 6781 1 467 . 1 1 48 48 LEU HD21 H 1 0.84 0.03 . 1 . . . . 48 LEU HD2 . 6781 1 468 . 1 1 48 48 LEU HD22 H 1 0.84 0.03 . 1 . . . . 48 LEU HD2 . 6781 1 469 . 1 1 48 48 LEU HD23 H 1 0.84 0.03 . 1 . . . . 48 LEU HD2 . 6781 1 470 . 1 1 48 48 LEU CA C 13 58.35 0.30 . 1 . . . . 48 LEU CA . 6781 1 471 . 1 1 48 48 LEU CB C 13 41.14 0.30 . 1 . . . . 48 LEU CB . 6781 1 472 . 1 1 48 48 LEU CG C 13 27.45 0.30 . 1 . . . . 48 LEU CG . 6781 1 473 . 1 1 48 48 LEU CD1 C 13 24.74 0.30 . 1 . . . . 48 LEU CD1 . 6781 1 474 . 1 1 48 48 LEU CD2 C 13 25.98 0.30 . 1 . . . . 48 LEU CD2 . 6781 1 475 . 1 1 48 48 LEU N N 15 118.39 0.30 . 1 . . . . 48 LEU N . 6781 1 476 . 1 1 49 49 LEU H H 1 8.66 0.03 . 1 . . . . 49 LEU H . 6781 1 477 . 1 1 49 49 LEU HA H 1 3.80 0.03 . 1 . . . . 49 LEU HA . 6781 1 478 . 1 1 49 49 LEU HB2 H 1 1.81 0.03 . 1 . . . . 49 LEU HB2 . 6781 1 479 . 1 1 49 49 LEU HB3 H 1 1.64 0.03 . 1 . . . . 49 LEU HB3 . 6781 1 480 . 1 1 49 49 LEU HG H 1 1.75 0.03 . 1 . . . . 49 LEU HG . 6781 1 481 . 1 1 49 49 LEU HD11 H 1 0.88 0.03 . 1 . . . . 49 LEU HD1 . 6781 1 482 . 1 1 49 49 LEU HD12 H 1 0.88 0.03 . 1 . . . . 49 LEU HD1 . 6781 1 483 . 1 1 49 49 LEU HD13 H 1 0.88 0.03 . 1 . . . . 49 LEU HD1 . 6781 1 484 . 1 1 49 49 LEU CA C 13 59.50 0.30 . 1 . . . . 49 LEU CA . 6781 1 485 . 1 1 49 49 LEU CB C 13 40.97 0.30 . 1 . . . . 49 LEU CB . 6781 1 486 . 1 1 49 49 LEU CD1 C 13 25.23 0.30 . 1 . . . . 49 LEU CD1 . 6781 1 487 . 1 1 49 49 LEU N N 15 121.13 0.30 . 1 . . . . 49 LEU N . 6781 1 488 . 1 1 50 50 ASN H H 1 8.29 0.03 . 1 . . . . 50 ASN H . 6781 1 489 . 1 1 50 50 ASN HA H 1 4.48 0.03 . 1 . . . . 50 ASN HA . 6781 1 490 . 1 1 50 50 ASN HB2 H 1 2.99 0.03 . 1 . . . . 50 ASN HB2 . 6781 1 491 . 1 1 50 50 ASN HB3 H 1 2.87 0.03 . 1 . . . . 50 ASN HB3 . 6781 1 492 . 1 1 50 50 ASN CA C 13 56.70 0.30 . 1 . . . . 50 ASN CA . 6781 1 493 . 1 1 50 50 ASN CB C 13 38.46 0.30 . 1 . . . . 50 ASN CB . 6781 1 494 . 1 1 50 50 ASN N N 15 117.39 0.30 . 1 . . . . 50 ASN N . 6781 1 495 . 1 1 51 51 GLU H H 1 8.04 0.03 . 1 . . . . 51 GLU H . 6781 1 496 . 1 1 51 51 GLU HA H 1 4.30 0.03 . 1 . . . . 51 GLU HA . 6781 1 497 . 1 1 51 51 GLU HB2 H 1 2.18 0.03 . 1 . . . . 51 GLU HB2 . 6781 1 498 . 1 1 51 51 GLU HB3 H 1 1.88 0.03 . 1 . . . . 51 GLU HB3 . 6781 1 499 . 1 1 51 51 GLU HG2 H 1 2.29 0.03 . 1 . . . . 51 GLU HG2 . 6781 1 500 . 1 1 51 51 GLU CA C 13 58.88 0.30 . 1 . . . . 51 GLU CA . 6781 1 501 . 1 1 51 51 GLU CB C 13 29.43 0.30 . 1 . . . . 51 GLU CB . 6781 1 502 . 1 1 51 51 GLU CG C 13 35.12 0.30 . 1 . . . . 51 GLU CG . 6781 1 503 . 1 1 51 51 GLU N N 15 120.79 0.30 . 1 . . . . 51 GLU N . 6781 1 504 . 1 1 52 52 CYS H H 1 8.59 0.03 . 1 . . . . 52 CYS H . 6781 1 505 . 1 1 52 52 CYS HA H 1 4.07 0.03 . 1 . . . . 52 CYS HA . 6781 1 506 . 1 1 52 52 CYS HB2 H 1 3.33 0.03 . 1 . . . . 52 CYS HB2 . 6781 1 507 . 1 1 52 52 CYS HB3 H 1 2.74 0.03 . 1 . . . . 52 CYS HB3 . 6781 1 508 . 1 1 52 52 CYS CA C 13 62.21 0.30 . 1 . . . . 52 CYS CA . 6781 1 509 . 1 1 52 52 CYS CB C 13 26.69 0.30 . 1 . . . . 52 CYS CB . 6781 1 510 . 1 1 52 52 CYS N N 15 118.79 0.30 . 1 . . . . 52 CYS N . 6781 1 511 . 1 1 53 53 HIS H H 1 8.27 0.03 . 1 . . . . 53 HIS H . 6781 1 512 . 1 1 53 53 HIS HA H 1 4.53 0.03 . 1 . . . . 53 HIS HA . 6781 1 513 . 1 1 53 53 HIS HB2 H 1 3.40 0.03 . 1 . . . . 53 HIS HB2 . 6781 1 514 . 1 1 53 53 HIS HD2 H 1 7.26 0.03 . 1 . . . . 53 HIS HD2 . 6781 1 515 . 1 1 53 53 HIS CA C 13 58.51 0.30 . 1 . . . . 53 HIS CA . 6781 1 516 . 1 1 53 53 HIS CB C 13 29.18 0.30 . 1 . . . . 53 HIS CB . 6781 1 517 . 1 1 53 53 HIS CD2 C 13 119.43 0.30 . 1 . . . . 53 HIS CD2 . 6781 1 518 . 1 1 53 53 HIS N N 15 117.12 0.30 . 1 . . . . 53 HIS N . 6781 1 519 . 1 1 54 54 LYS H H 1 7.88 0.03 . 1 . . . . 54 LYS H . 6781 1 520 . 1 1 54 54 LYS HA H 1 4.07 0.03 . 1 . . . . 54 LYS HA . 6781 1 521 . 1 1 54 54 LYS HB2 H 1 2.01 0.03 . 1 . . . . 54 LYS HB2 . 6781 1 522 . 1 1 54 54 LYS HG2 H 1 1.64 0.03 . 1 . . . . 54 LYS HG2 . 6781 1 523 . 1 1 54 54 LYS HG3 H 1 1.44 0.03 . 1 . . . . 54 LYS HG3 . 6781 1 524 . 1 1 54 54 LYS HD2 H 1 1.73 0.03 . 1 . . . . 54 LYS HD2 . 6781 1 525 . 1 1 54 54 LYS HE2 H 1 2.98 0.03 . 1 . . . . 54 LYS HE2 . 6781 1 526 . 1 1 54 54 LYS CA C 13 59.54 0.30 . 1 . . . . 54 LYS CA . 6781 1 527 . 1 1 54 54 LYS CB C 13 33.36 0.30 . 1 . . . . 54 LYS CB . 6781 1 528 . 1 1 54 54 LYS CG C 13 25.18 0.30 . 1 . . . . 54 LYS CG . 6781 1 529 . 1 1 54 54 LYS CE C 13 42.16 0.30 . 1 . . . . 54 LYS CE . 6781 1 530 . 1 1 54 54 LYS N N 15 118.73 0.30 . 1 . . . . 54 LYS N . 6781 1 531 . 1 1 55 55 GLN H H 1 8.11 0.03 . 1 . . . . 55 GLN H . 6781 1 532 . 1 1 55 55 GLN HA H 1 4.55 0.03 . 1 . . . . 55 GLN HA . 6781 1 533 . 1 1 55 55 GLN HB2 H 1 2.47 0.03 . 1 . . . . 55 GLN HB2 . 6781 1 534 . 1 1 55 55 GLN HB3 H 1 2.33 0.03 . 1 . . . . 55 GLN HB3 . 6781 1 535 . 1 1 55 55 GLN HG2 H 1 2.52 0.03 . 1 . . . . 55 GLN HG2 . 6781 1 536 . 1 1 55 55 GLN CA C 13 56.01 0.30 . 1 . . . . 55 GLN CA . 6781 1 537 . 1 1 55 55 GLN CB C 13 29.67 0.30 . 1 . . . . 55 GLN CB . 6781 1 538 . 1 1 55 55 GLN CG C 13 33.25 0.30 . 1 . . . . 55 GLN CG . 6781 1 539 . 1 1 55 55 GLN N N 15 113.37 0.30 . 1 . . . . 55 GLN N . 6781 1 540 . 1 1 56 56 GLY H H 1 8.21 0.03 . 1 . . . . 56 GLY H . 6781 1 541 . 1 1 56 56 GLY HA2 H 1 4.15 0.03 . 1 . . . . 56 GLY HA2 . 6781 1 542 . 1 1 56 56 GLY HA3 H 1 3.90 0.03 . 1 . . . . 56 GLY HA3 . 6781 1 543 . 1 1 56 56 GLY CA C 13 46.34 0.30 . 1 . . . . 56 GLY CA . 6781 1 544 . 1 1 56 56 GLY N N 15 110.03 0.30 . 1 . . . . 56 GLY N . 6781 1 545 . 1 1 57 57 GLY H H 1 7.87 0.03 . 1 . . . . 57 GLY H . 6781 1 546 . 1 1 57 57 GLY HA2 H 1 3.98 0.03 . 1 . . . . 57 GLY HA2 . 6781 1 547 . 1 1 57 57 GLY CA C 13 45.06 0.30 . 1 . . . . 57 GLY CA . 6781 1 548 . 1 1 57 57 GLY N N 15 109.16 0.30 . 1 . . . . 57 GLY N . 6781 1 549 . 1 1 58 58 LEU H H 1 8.64 0.03 . 1 . . . . 58 LEU H . 6781 1 550 . 1 1 58 58 LEU HA H 1 4.94 0.03 . 1 . . . . 58 LEU HA . 6781 1 551 . 1 1 58 58 LEU HB2 H 1 1.88 0.03 . 1 . . . . 58 LEU HB2 . 6781 1 552 . 1 1 58 58 LEU HB3 H 1 1.24 0.03 . 1 . . . . 58 LEU HB3 . 6781 1 553 . 1 1 58 58 LEU HG H 1 1.81 0.03 . 1 . . . . 58 LEU HG . 6781 1 554 . 1 1 58 58 LEU HD11 H 1 0.96 0.03 . 1 . . . . 58 LEU HD1 . 6781 1 555 . 1 1 58 58 LEU HD12 H 1 0.96 0.03 . 1 . . . . 58 LEU HD1 . 6781 1 556 . 1 1 58 58 LEU HD13 H 1 0.96 0.03 . 1 . . . . 58 LEU HD1 . 6781 1 557 . 1 1 58 58 LEU CA C 13 54.32 0.30 . 1 . . . . 58 LEU CA . 6781 1 558 . 1 1 58 58 LEU CB C 13 47.91 0.30 . 1 . . . . 58 LEU CB . 6781 1 559 . 1 1 58 58 LEU CG C 13 27.21 0.30 . 1 . . . . 58 LEU CG . 6781 1 560 . 1 1 58 58 LEU CD1 C 13 25.73 0.30 . 1 . . . . 58 LEU CD1 . 6781 1 561 . 1 1 58 58 LEU N N 15 118.86 0.30 . 1 . . . . 58 LEU N . 6781 1 562 . 1 1 59 59 ARG H H 1 9.10 0.03 . 1 . . . . 59 ARG H . 6781 1 563 . 1 1 59 59 ARG HA H 1 4.80 0.03 . 1 . . . . 59 ARG HA . 6781 1 564 . 1 1 59 59 ARG HB2 H 1 2.19 0.03 . 1 . . . . 59 ARG HB2 . 6781 1 565 . 1 1 59 59 ARG HB3 H 1 1.71 0.03 . 1 . . . . 59 ARG HB3 . 6781 1 566 . 1 1 59 59 ARG HG2 H 1 1.76 0.03 . 1 . . . . 59 ARG HG2 . 6781 1 567 . 1 1 59 59 ARG HD2 H 1 3.29 0.03 . 1 . . . . 59 ARG HD2 . 6781 1 568 . 1 1 59 59 ARG HD3 H 1 3.21 0.03 . 1 . . . . 59 ARG HD3 . 6781 1 569 . 1 1 59 59 ARG CA C 13 55.14 0.30 . 1 . . . . 59 ARG CA . 6781 1 570 . 1 1 59 59 ARG CB C 13 32.14 0.30 . 1 . . . . 59 ARG CB . 6781 1 571 . 1 1 59 59 ARG CG C 13 28.44 0.30 . 1 . . . . 59 ARG CG . 6781 1 572 . 1 1 59 59 ARG CD C 13 43.23 0.30 . 1 . . . . 59 ARG CD . 6781 1 573 . 1 1 59 59 ARG N N 15 110.30 0.30 . 1 . . . . 59 ARG N . 6781 1 574 . 1 1 60 60 LEU H H 1 9.01 0.03 . 1 . . . . 60 LEU H . 6781 1 575 . 1 1 60 60 LEU HA H 1 2.98 0.03 . 1 . . . . 60 LEU HA . 6781 1 576 . 1 1 60 60 LEU HB2 H 1 1.63 0.03 . 1 . . . . 60 LEU HB2 . 6781 1 577 . 1 1 60 60 LEU HB3 H 1 1.05 0.03 . 1 . . . . 60 LEU HB3 . 6781 1 578 . 1 1 60 60 LEU HG H 1 1.26 0.03 . 1 . . . . 60 LEU HG . 6781 1 579 . 1 1 60 60 LEU HD11 H 1 0.55 0.03 . 1 . . . . 60 LEU HD1 . 6781 1 580 . 1 1 60 60 LEU HD12 H 1 0.55 0.03 . 1 . . . . 60 LEU HD1 . 6781 1 581 . 1 1 60 60 LEU HD13 H 1 0.55 0.03 . 1 . . . . 60 LEU HD1 . 6781 1 582 . 1 1 60 60 LEU HD21 H 1 0.85 0.03 . 1 . . . . 60 LEU HD2 . 6781 1 583 . 1 1 60 60 LEU HD22 H 1 0.85 0.03 . 1 . . . . 60 LEU HD2 . 6781 1 584 . 1 1 60 60 LEU HD23 H 1 0.85 0.03 . 1 . . . . 60 LEU HD2 . 6781 1 585 . 1 1 60 60 LEU CA C 13 58.52 0.30 . 1 . . . . 60 LEU CA . 6781 1 586 . 1 1 60 60 LEU CB C 13 40.27 0.30 . 1 . . . . 60 LEU CB . 6781 1 587 . 1 1 60 60 LEU CG C 13 27.39 0.30 . 1 . . . . 60 LEU CG . 6781 1 588 . 1 1 60 60 LEU CD1 C 13 22.84 0.30 . 1 . . . . 60 LEU CD1 . 6781 1 589 . 1 1 60 60 LEU CD2 C 13 25.98 0.30 . 1 . . . . 60 LEU CD2 . 6781 1 590 . 1 1 60 60 LEU N N 15 110.36 0.30 . 1 . . . . 60 LEU N . 6781 1 591 . 1 1 61 61 ALA H H 1 8.78 0.03 . 1 . . . . 61 ALA H . 6781 1 592 . 1 1 61 61 ALA HA H 1 3.91 0.03 . 1 . . . . 61 ALA HA . 6781 1 593 . 1 1 61 61 ALA HB1 H 1 1.37 0.03 . 1 . . . . 61 ALA HB . 6781 1 594 . 1 1 61 61 ALA HB2 H 1 1.37 0.03 . 1 . . . . 61 ALA HB . 6781 1 595 . 1 1 61 61 ALA HB3 H 1 1.37 0.03 . 1 . . . . 61 ALA HB . 6781 1 596 . 1 1 61 61 ALA CA C 13 55.68 0.30 . 1 . . . . 61 ALA CA . 6781 1 597 . 1 1 61 61 ALA CB C 13 19.03 0.30 . 1 . . . . 61 ALA CB . 6781 1 598 . 1 1 61 61 ALA N N 15 118.53 0.30 . 1 . . . . 61 ALA N . 6781 1 599 . 1 1 62 62 GLN H H 1 6.90 0.03 . 1 . . . . 62 GLN H . 6781 1 600 . 1 1 62 62 GLN HA H 1 4.17 0.03 . 1 . . . . 62 GLN HA . 6781 1 601 . 1 1 62 62 GLN HB2 H 1 2.50 0.03 . 1 . . . . 62 GLN HB2 . 6781 1 602 . 1 1 62 62 GLN HB3 H 1 2.07 0.03 . 1 . . . . 62 GLN HB3 . 6781 1 603 . 1 1 62 62 GLN HG2 H 1 2.48 0.03 . 1 . . . . 62 GLN HG2 . 6781 1 604 . 1 1 62 62 GLN HG3 H 1 2.32 0.03 . 1 . . . . 62 GLN HG3 . 6781 1 605 . 1 1 62 62 GLN CA C 13 57.98 0.30 . 1 . . . . 62 GLN CA . 6781 1 606 . 1 1 62 62 GLN CB C 13 29.79 0.30 . 1 . . . . 62 GLN CB . 6781 1 607 . 1 1 62 62 GLN CG C 13 35.05 0.30 . 1 . . . . 62 GLN CG . 6781 1 608 . 1 1 62 62 GLN N N 15 114.58 0.30 . 1 . . . . 62 GLN N . 6781 1 609 . 1 1 63 63 ALA H H 1 7.75 0.03 . 1 . . . . 63 ALA H . 6781 1 610 . 1 1 63 63 ALA HA H 1 3.93 0.03 . 1 . . . . 63 ALA HA . 6781 1 611 . 1 1 63 63 ALA HB1 H 1 1.37 0.03 . 1 . . . . 63 ALA HB . 6781 1 612 . 1 1 63 63 ALA HB2 H 1 1.37 0.03 . 1 . . . . 63 ALA HB . 6781 1 613 . 1 1 63 63 ALA HB3 H 1 1.37 0.03 . 1 . . . . 63 ALA HB . 6781 1 614 . 1 1 63 63 ALA CA C 13 55.38 0.30 . 1 . . . . 63 ALA CA . 6781 1 615 . 1 1 63 63 ALA CB C 13 18.49 0.30 . 1 . . . . 63 ALA CB . 6781 1 616 . 1 1 63 63 ALA N N 15 122.06 0.30 . 1 . . . . 63 ALA N . 6781 1 617 . 1 1 64 64 ARG H H 1 8.31 0.03 . 1 . . . . 64 ARG H . 6781 1 618 . 1 1 64 64 ARG HA H 1 4.01 0.03 . 1 . . . . 64 ARG HA . 6781 1 619 . 1 1 64 64 ARG HB2 H 1 1.77 0.03 . 1 . . . . 64 ARG HB2 . 6781 1 620 . 1 1 64 64 ARG HB3 H 1 1.92 0.03 . 1 . . . . 64 ARG HB3 . 6781 1 621 . 1 1 64 64 ARG HG2 H 1 1.75 0.03 . 1 . . . . 64 ARG HG2 . 6781 1 622 . 1 1 64 64 ARG HG3 H 1 1.57 0.03 . 1 . . . . 64 ARG HG3 . 6781 1 623 . 1 1 64 64 ARG HD2 H 1 3.18 0.03 . 1 . . . . 64 ARG HD2 . 6781 1 624 . 1 1 64 64 ARG HD3 H 1 3.12 0.03 . 1 . . . . 64 ARG HD3 . 6781 1 625 . 1 1 64 64 ARG CA C 13 59.02 0.30 . 1 . . . . 64 ARG CA . 6781 1 626 . 1 1 64 64 ARG CB C 13 30.90 0.30 . 1 . . . . 64 ARG CB . 6781 1 627 . 1 1 64 64 ARG CG C 13 28.20 0.30 . 1 . . . . 64 ARG CG . 6781 1 628 . 1 1 64 64 ARG CD C 13 43.97 0.30 . 1 . . . . 64 ARG CD . 6781 1 629 . 1 1 64 64 ARG N N 15 114.50 0.30 . 1 . . . . 64 ARG N . 6781 1 630 . 1 1 65 65 ALA H H 1 7.14 0.03 . 1 . . . . 65 ALA H . 6781 1 631 . 1 1 65 65 ALA HA H 1 4.16 0.03 . 1 . . . . 65 ALA HA . 6781 1 632 . 1 1 65 65 ALA HB1 H 1 1.46 0.03 . 1 . . . . 65 ALA HB . 6781 1 633 . 1 1 65 65 ALA HB2 H 1 1.46 0.03 . 1 . . . . 65 ALA HB . 6781 1 634 . 1 1 65 65 ALA HB3 H 1 1.46 0.03 . 1 . . . . 65 ALA HB . 6781 1 635 . 1 1 65 65 ALA CA C 13 53.68 0.30 . 1 . . . . 65 ALA CA . 6781 1 636 . 1 1 65 65 ALA CB C 13 18.75 0.30 . 1 . . . . 65 ALA CB . 6781 1 637 . 1 1 65 65 ALA N N 15 118.26 0.30 . 1 . . . . 65 ALA N . 6781 1 638 . 1 1 66 66 LEU H H 1 7.38 0.03 . 1 . . . . 66 LEU H . 6781 1 639 . 1 1 66 66 LEU HA H 1 4.22 0.03 . 1 . . . . 66 LEU HA . 6781 1 640 . 1 1 66 66 LEU HB2 H 1 1.76 0.03 . 1 . . . . 66 LEU HB2 . 6781 1 641 . 1 1 66 66 LEU HB3 H 1 1.63 0.03 . 1 . . . . 66 LEU HB3 . 6781 1 642 . 1 1 66 66 LEU HD11 H 1 0.87 0.03 . 1 . . . . 66 LEU HD1 . 6781 1 643 . 1 1 66 66 LEU HD12 H 1 0.87 0.03 . 1 . . . . 66 LEU HD1 . 6781 1 644 . 1 1 66 66 LEU HD13 H 1 0.87 0.03 . 1 . . . . 66 LEU HD1 . 6781 1 645 . 1 1 66 66 LEU HD21 H 1 0.85 0.03 . 1 . . . . 66 LEU HD2 . 6781 1 646 . 1 1 66 66 LEU HD22 H 1 0.85 0.03 . 1 . . . . 66 LEU HD2 . 6781 1 647 . 1 1 66 66 LEU HD23 H 1 0.85 0.03 . 1 . . . . 66 LEU HD2 . 6781 1 648 . 1 1 66 66 LEU CA C 13 56.86 0.30 . 1 . . . . 66 LEU CA . 6781 1 649 . 1 1 66 66 LEU CB C 13 44.37 0.30 . 1 . . . . 66 LEU CB . 6781 1 650 . 1 1 66 66 LEU CD1 C 13 25.04 0.30 . 1 . . . . 66 LEU CD1 . 6781 1 651 . 1 1 66 66 LEU CD2 C 13 25.98 0.30 . 1 . . . . 66 LEU CD2 . 6781 1 652 . 1 1 66 66 LEU N N 15 116.85 0.30 . 1 . . . . 66 LEU N . 6781 1 653 . 1 1 67 67 ILE H H 1 7.38 0.03 . 1 . . . . 67 ILE H . 6781 1 654 . 1 1 67 67 ILE HA H 1 4.30 0.03 . 1 . . . . 67 ILE HA . 6781 1 655 . 1 1 67 67 ILE HB H 1 1.69 0.03 . 1 . . . . 67 ILE HB . 6781 1 656 . 1 1 67 67 ILE HG12 H 1 1.32 0.03 . 1 . . . . 67 ILE HG12 . 6781 1 657 . 1 1 67 67 ILE HG13 H 1 1.20 0.03 . 1 . . . . 67 ILE HG13 . 6781 1 658 . 1 1 67 67 ILE HG21 H 1 0.52 0.03 . 1 . . . . 67 ILE HG2 . 6781 1 659 . 1 1 67 67 ILE HG22 H 1 0.52 0.03 . 1 . . . . 67 ILE HG2 . 6781 1 660 . 1 1 67 67 ILE HG23 H 1 0.52 0.03 . 1 . . . . 67 ILE HG2 . 6781 1 661 . 1 1 67 67 ILE HD11 H 1 0.59 0.03 . 1 . . . . 67 ILE HD1 . 6781 1 662 . 1 1 67 67 ILE HD12 H 1 0.59 0.03 . 1 . . . . 67 ILE HD1 . 6781 1 663 . 1 1 67 67 ILE HD13 H 1 0.59 0.03 . 1 . . . . 67 ILE HD1 . 6781 1 664 . 1 1 67 67 ILE CA C 13 60.46 0.30 . 1 . . . . 67 ILE CA . 6781 1 665 . 1 1 67 67 ILE CB C 13 38.39 0.30 . 1 . . . . 67 ILE CB . 6781 1 666 . 1 1 67 67 ILE CG1 C 13 25.98 0.30 . 1 . . . . 67 ILE CG1 . 6781 1 667 . 1 1 67 67 ILE CG2 C 13 18.04 0.30 . 1 . . . . 67 ILE CG2 . 6781 1 668 . 1 1 67 67 ILE CD1 C 13 12.87 0.30 . 1 . . . . 67 ILE CD1 . 6781 1 669 . 1 1 67 67 ILE N N 15 112.91 0.30 . 1 . . . . 67 ILE N . 6781 1 670 . 1 1 68 68 LYS H H 1 8.14 0.03 . 1 . . . . 68 LYS H . 6781 1 671 . 1 1 68 68 LYS HA H 1 4.25 0.03 . 1 . . . . 68 LYS HA . 6781 1 672 . 1 1 68 68 LYS HB2 H 1 1.91 0.03 . 1 . . . . 68 LYS HB2 . 6781 1 673 . 1 1 68 68 LYS HB3 H 1 1.77 0.03 . 1 . . . . 68 LYS HB3 . 6781 1 674 . 1 1 68 68 LYS HG2 H 1 1.32 0.03 . 1 . . . . 68 LYS HG2 . 6781 1 675 . 1 1 68 68 LYS HD2 H 1 1.63 0.03 . 1 . . . . 68 LYS HD2 . 6781 1 676 . 1 1 68 68 LYS HE2 H 1 2.97 0.03 . 1 . . . . 68 LYS HE2 . 6781 1 677 . 1 1 68 68 LYS CA C 13 56.57 0.30 . 1 . . . . 68 LYS CA . 6781 1 678 . 1 1 68 68 LYS CB C 13 30.16 0.30 . 1 . . . . 68 LYS CB . 6781 1 679 . 1 1 68 68 LYS CG C 13 25.00 0.30 . 1 . . . . 68 LYS CG . 6781 1 680 . 1 1 68 68 LYS CD C 13 29.43 0.30 . 1 . . . . 68 LYS CD . 6781 1 681 . 1 1 68 68 LYS N N 15 121.60 0.30 . 1 . . . . 68 LYS N . 6781 1 682 . 1 1 69 69 ILE H H 1 6.99 0.03 . 1 . . . . 69 ILE H . 6781 1 683 . 1 1 69 69 ILE HA H 1 4.62 0.03 . 1 . . . . 69 ILE HA . 6781 1 684 . 1 1 69 69 ILE HB H 1 2.02 0.03 . 1 . . . . 69 ILE HB . 6781 1 685 . 1 1 69 69 ILE HG12 H 1 1.40 0.03 . 1 . . . . 69 ILE HG12 . 6781 1 686 . 1 1 69 69 ILE HG13 H 1 0.47 0.03 . 1 . . . . 69 ILE HG13 . 6781 1 687 . 1 1 69 69 ILE HG21 H 1 0.77 0.03 . 1 . . . . 69 ILE HG2 . 6781 1 688 . 1 1 69 69 ILE HG22 H 1 0.77 0.03 . 1 . . . . 69 ILE HG2 . 6781 1 689 . 1 1 69 69 ILE HG23 H 1 0.77 0.03 . 1 . . . . 69 ILE HG2 . 6781 1 690 . 1 1 69 69 ILE HD11 H 1 0.51 0.03 . 1 . . . . 69 ILE HD1 . 6781 1 691 . 1 1 69 69 ILE HD12 H 1 0.51 0.03 . 1 . . . . 69 ILE HD1 . 6781 1 692 . 1 1 69 69 ILE HD13 H 1 0.51 0.03 . 1 . . . . 69 ILE HD1 . 6781 1 693 . 1 1 69 69 ILE CA C 13 59.99 0.30 . 1 . . . . 69 ILE CA . 6781 1 694 . 1 1 69 69 ILE CB C 13 41.23 0.30 . 1 . . . . 69 ILE CB . 6781 1 695 . 1 1 69 69 ILE CG1 C 13 24.80 0.30 . 1 . . . . 69 ILE CG1 . 6781 1 696 . 1 1 69 69 ILE CG2 C 13 17.84 0.30 . 1 . . . . 69 ILE CG2 . 6781 1 697 . 1 1 69 69 ILE CD1 C 13 14.89 0.30 . 1 . . . . 69 ILE CD1 . 6781 1 698 . 1 1 69 69 ILE N N 15 112.70 0.30 . 1 . . . . 69 ILE N . 6781 1 699 . 1 1 70 70 ASP H H 1 8.20 0.03 . 1 . . . . 70 ASP H . 6781 1 700 . 1 1 70 70 ASP HA H 1 4.48 0.03 . 1 . . . . 70 ASP HA . 6781 1 701 . 1 1 70 70 ASP HB2 H 1 2.88 0.03 . 1 . . . . 70 ASP HB2 . 6781 1 702 . 1 1 70 70 ASP HB3 H 1 2.54 0.03 . 1 . . . . 70 ASP HB3 . 6781 1 703 . 1 1 70 70 ASP CA C 13 55.15 0.30 . 1 . . . . 70 ASP CA . 6781 1 704 . 1 1 70 70 ASP CB C 13 43.23 0.30 . 1 . . . . 70 ASP CB . 6781 1 705 . 1 1 70 70 ASP N N 15 120.00 0.30 . 1 . . . . 70 ASP N . 6781 1 706 . 1 1 71 71 VAL H H 1 8.67 0.03 . 1 . . . . 71 VAL H . 6781 1 707 . 1 1 71 71 VAL HA H 1 3.90 0.03 . 1 . . . . 71 VAL HA . 6781 1 708 . 1 1 71 71 VAL HB H 1 2.15 0.03 . 1 . . . . 71 VAL HB . 6781 1 709 . 1 1 71 71 VAL HG11 H 1 0.98 0.03 . 1 . . . . 71 VAL HG1 . 6781 1 710 . 1 1 71 71 VAL HG12 H 1 0.98 0.03 . 1 . . . . 71 VAL HG1 . 6781 1 711 . 1 1 71 71 VAL HG13 H 1 0.98 0.03 . 1 . . . . 71 VAL HG1 . 6781 1 712 . 1 1 71 71 VAL HG21 H 1 1.10 0.03 . 1 . . . . 71 VAL HG2 . 6781 1 713 . 1 1 71 71 VAL HG22 H 1 1.10 0.03 . 1 . . . . 71 VAL HG2 . 6781 1 714 . 1 1 71 71 VAL HG23 H 1 1.10 0.03 . 1 . . . . 71 VAL HG2 . 6781 1 715 . 1 1 71 71 VAL CA C 13 65.51 0.30 . 1 . . . . 71 VAL CA . 6781 1 716 . 1 1 71 71 VAL CB C 13 31.98 0.30 . 1 . . . . 71 VAL CB . 6781 1 717 . 1 1 71 71 VAL CG1 C 13 19.84 0.30 . 1 . . . . 71 VAL CG1 . 6781 1 718 . 1 1 71 71 VAL CG2 C 13 20.86 0.30 . 1 . . . . 71 VAL CG2 . 6781 1 719 . 1 1 71 71 VAL N N 15 122.61 0.30 . 1 . . . . 71 VAL N . 6781 1 720 . 1 1 72 72 ASN H H 1 8.78 0.03 . 1 . . . . 72 ASN H . 6781 1 721 . 1 1 72 72 ASN HA H 1 4.62 0.03 . 1 . . . . 72 ASN HA . 6781 1 722 . 1 1 72 72 ASN HB2 H 1 2.98 0.03 . 1 . . . . 72 ASN HB2 . 6781 1 723 . 1 1 72 72 ASN HB3 H 1 2.76 0.03 . 1 . . . . 72 ASN HB3 . 6781 1 724 . 1 1 72 72 ASN CA C 13 56.30 0.30 . 1 . . . . 72 ASN CA . 6781 1 725 . 1 1 72 72 ASN CB C 13 38.38 0.30 . 1 . . . . 72 ASN CB . 6781 1 726 . 1 1 72 72 ASN N N 15 121.60 0.30 . 1 . . . . 72 ASN N . 6781 1 727 . 1 1 73 73 LYS H H 1 8.02 0.03 . 1 . . . . 73 LYS H . 6781 1 728 . 1 1 73 73 LYS HA H 1 4.07 0.03 . 1 . . . . 73 LYS HA . 6781 1 729 . 1 1 73 73 LYS HB2 H 1 2.11 0.03 . 1 . . . . 73 LYS HB2 . 6781 1 730 . 1 1 73 73 LYS HB3 H 1 1.57 0.03 . 1 . . . . 73 LYS HB3 . 6781 1 731 . 1 1 73 73 LYS HG2 H 1 1.70 0.03 . 1 . . . . 73 LYS HG2 . 6781 1 732 . 1 1 73 73 LYS HG3 H 1 1.45 0.03 . 1 . . . . 73 LYS HG3 . 6781 1 733 . 1 1 73 73 LYS HD2 H 1 1.91 0.03 . 1 . . . . 73 LYS HD2 . 6781 1 734 . 1 1 73 73 LYS HE2 H 1 3.13 0.03 . 1 . . . . 73 LYS HE2 . 6781 1 735 . 1 1 73 73 LYS HE3 H 1 3.19 0.03 . 1 . . . . 73 LYS HE3 . 6781 1 736 . 1 1 73 73 LYS CA C 13 60.45 0.30 . 1 . . . . 73 LYS CA . 6781 1 737 . 1 1 73 73 LYS CB C 13 33.12 0.30 . 1 . . . . 73 LYS CB . 6781 1 738 . 1 1 73 73 LYS CG C 13 26.96 0.30 . 1 . . . . 73 LYS CG . 6781 1 739 . 1 1 73 73 LYS CE C 13 44.04 0.30 . 1 . . . . 73 LYS CE . 6781 1 740 . 1 1 73 73 LYS N N 15 121.20 0.30 . 1 . . . . 73 LYS N . 6781 1 741 . 1 1 74 74 THR H H 1 8.23 0.03 . 1 . . . . 74 THR H . 6781 1 742 . 1 1 74 74 THR HA H 1 3.53 0.03 . 1 . . . . 74 THR HA . 6781 1 743 . 1 1 74 74 THR HB H 1 4.03 0.03 . 1 . . . . 74 THR HB . 6781 1 744 . 1 1 74 74 THR HG21 H 1 0.90 0.03 . 1 . . . . 74 THR HG2 . 6781 1 745 . 1 1 74 74 THR HG22 H 1 0.90 0.03 . 1 . . . . 74 THR HG2 . 6781 1 746 . 1 1 74 74 THR HG23 H 1 0.90 0.03 . 1 . . . . 74 THR HG2 . 6781 1 747 . 1 1 74 74 THR CA C 13 67.77 0.30 . 1 . . . . 74 THR CA . 6781 1 748 . 1 1 74 74 THR CB C 13 67.00 0.30 . 1 . . . . 74 THR CB . 6781 1 749 . 1 1 74 74 THR CG2 C 13 23.06 0.30 . 1 . . . . 74 THR CG2 . 6781 1 750 . 1 1 74 74 THR N N 15 115.92 0.30 . 1 . . . . 74 THR N . 6781 1 751 . 1 1 75 75 ARG H H 1 8.01 0.03 . 1 . . . . 75 ARG H . 6781 1 752 . 1 1 75 75 ARG HA H 1 3.92 0.03 . 1 . . . . 75 ARG HA . 6781 1 753 . 1 1 75 75 ARG HB2 H 1 2.06 0.03 . 1 . . . . 75 ARG HB2 . 6781 1 754 . 1 1 75 75 ARG HB3 H 1 1.98 0.03 . 1 . . . . 75 ARG HB3 . 6781 1 755 . 1 1 75 75 ARG CA C 13 60.24 0.30 . 1 . . . . 75 ARG CA . 6781 1 756 . 1 1 75 75 ARG CB C 13 29.92 0.30 . 1 . . . . 75 ARG CB . 6781 1 757 . 1 1 75 75 ARG N N 15 120.00 0.30 . 1 . . . . 75 ARG N . 6781 1 758 . 1 1 76 76 LYS H H 1 7.30 0.03 . 1 . . . . 76 LYS H . 6781 1 759 . 1 1 76 76 LYS HA H 1 4.28 0.03 . 1 . . . . 76 LYS HA . 6781 1 760 . 1 1 76 76 LYS HB2 H 1 2.08 0.03 . 1 . . . . 76 LYS HB2 . 6781 1 761 . 1 1 76 76 LYS HB3 H 1 1.79 0.03 . 1 . . . . 76 LYS HB3 . 6781 1 762 . 1 1 76 76 LYS HG2 H 1 1.73 0.03 . 1 . . . . 76 LYS HG2 . 6781 1 763 . 1 1 76 76 LYS HG3 H 1 1.59 0.03 . 1 . . . . 76 LYS HG3 . 6781 1 764 . 1 1 76 76 LYS HE2 H 1 2.97 0.03 . 1 . . . . 76 LYS HE2 . 6781 1 765 . 1 1 76 76 LYS CA C 13 59.50 0.30 . 1 . . . . 76 LYS CA . 6781 1 766 . 1 1 76 76 LYS CB C 13 33.03 0.30 . 1 . . . . 76 LYS CB . 6781 1 767 . 1 1 76 76 LYS CG C 13 26.05 0.30 . 1 . . . . 76 LYS CG . 6781 1 768 . 1 1 76 76 LYS N N 15 116.45 0.30 . 1 . . . . 76 LYS N . 6781 1 769 . 1 1 77 77 ILE H H 1 8.09 0.03 . 1 . . . . 77 ILE H . 6781 1 770 . 1 1 77 77 ILE HA H 1 3.80 0.03 . 1 . . . . 77 ILE HA . 6781 1 771 . 1 1 77 77 ILE HB H 1 1.96 0.03 . 1 . . . . 77 ILE HB . 6781 1 772 . 1 1 77 77 ILE HG12 H 1 0.99 0.03 . 1 . . . . 77 ILE HG12 . 6781 1 773 . 1 1 77 77 ILE HG13 H 1 2.02 0.03 . 1 . . . . 77 ILE HG13 . 6781 1 774 . 1 1 77 77 ILE HG21 H 1 1.00 0.03 . 1 . . . . 77 ILE HG2 . 6781 1 775 . 1 1 77 77 ILE HG22 H 1 1.00 0.03 . 1 . . . . 77 ILE HG2 . 6781 1 776 . 1 1 77 77 ILE HG23 H 1 1.00 0.03 . 1 . . . . 77 ILE HG2 . 6781 1 777 . 1 1 77 77 ILE HD11 H 1 0.93 0.03 . 1 . . . . 77 ILE HD1 . 6781 1 778 . 1 1 77 77 ILE HD12 H 1 0.93 0.03 . 1 . . . . 77 ILE HD1 . 6781 1 779 . 1 1 77 77 ILE HD13 H 1 0.93 0.03 . 1 . . . . 77 ILE HD1 . 6781 1 780 . 1 1 77 77 ILE CA C 13 66.16 0.30 . 1 . . . . 77 ILE CA . 6781 1 781 . 1 1 77 77 ILE CB C 13 39.34 0.30 . 1 . . . . 77 ILE CB . 6781 1 782 . 1 1 77 77 ILE CG1 C 13 29.06 0.30 . 1 . . . . 77 ILE CG1 . 6781 1 783 . 1 1 77 77 ILE CG2 C 13 17.35 0.30 . 1 . . . . 77 ILE CG2 . 6781 1 784 . 1 1 77 77 ILE CD1 C 13 15.03 0.30 . 1 . . . . 77 ILE CD1 . 6781 1 785 . 1 1 77 77 ILE N N 15 119.55 0.30 . 1 . . . . 77 ILE N . 6781 1 786 . 1 1 78 78 TYR H H 1 9.09 0.03 . 1 . . . . 78 TYR H . 6781 1 787 . 1 1 78 78 TYR HA H 1 3.84 0.03 . 1 . . . . 78 TYR HA . 6781 1 788 . 1 1 78 78 TYR HB2 H 1 3.23 0.03 . 1 . . . . 78 TYR HB2 . 6781 1 789 . 1 1 78 78 TYR HB3 H 1 2.71 0.03 . 1 . . . . 78 TYR HB3 . 6781 1 790 . 1 1 78 78 TYR HD1 H 1 7.00 0.03 . 3 . . . . 78 TYR HD1 . 6781 1 791 . 1 1 78 78 TYR HE1 H 1 6.57 0.03 . 3 . . . . 78 TYR HE1 . 6781 1 792 . 1 1 78 78 TYR CA C 13 62.95 0.30 . 1 . . . . 78 TYR CA . 6781 1 793 . 1 1 78 78 TYR CB C 13 40.03 0.30 . 1 . . . . 78 TYR CB . 6781 1 794 . 1 1 78 78 TYR CD1 C 13 133.40 0.30 . 3 . . . . 78 TYR CD1 . 6781 1 795 . 1 1 78 78 TYR CE1 C 13 117.68 0.30 . 3 . . . . 78 TYR CE1 . 6781 1 796 . 1 1 78 78 TYR N N 15 121.07 0.30 . 1 . . . . 78 TYR N . 6781 1 797 . 1 1 79 79 ASP H H 1 9.03 0.03 . 1 . . . . 79 ASP H . 6781 1 798 . 1 1 79 79 ASP HA H 1 4.29 0.03 . 1 . . . . 79 ASP HA . 6781 1 799 . 1 1 79 79 ASP HB2 H 1 2.87 0.03 . 1 . . . . 79 ASP HB2 . 6781 1 800 . 1 1 79 79 ASP HB3 H 1 2.67 0.03 . 1 . . . . 79 ASP HB3 . 6781 1 801 . 1 1 79 79 ASP CA C 13 57.53 0.30 . 1 . . . . 79 ASP CA . 6781 1 802 . 1 1 79 79 ASP CB C 13 40.29 0.30 . 1 . . . . 79 ASP CB . 6781 1 803 . 1 1 79 79 ASP N N 15 117.24 0.30 . 1 . . . . 79 ASP N . 6781 1 804 . 1 1 80 80 PHE H H 1 7.83 0.03 . 1 . . . . 80 PHE H . 6781 1 805 . 1 1 80 80 PHE HA H 1 4.24 0.03 . 1 . . . . 80 PHE HA . 6781 1 806 . 1 1 80 80 PHE HB2 H 1 3.49 0.03 . 1 . . . . 80 PHE HB2 . 6781 1 807 . 1 1 80 80 PHE HB3 H 1 3.31 0.03 . 1 . . . . 80 PHE HB3 . 6781 1 808 . 1 1 80 80 PHE HD1 H 1 7.27 0.03 . 3 . . . . 80 PHE HD1 . 6781 1 809 . 1 1 80 80 PHE HE1 H 1 7.37 0.03 . 3 . . . . 80 PHE HE1 . 6781 1 810 . 1 1 80 80 PHE HZ H 1 7.07 0.03 . 1 . . . . 80 PHE HZ . 6781 1 811 . 1 1 80 80 PHE CA C 13 61.97 0.30 . 1 . . . . 80 PHE CA . 6781 1 812 . 1 1 80 80 PHE CB C 13 39.87 0.30 . 1 . . . . 80 PHE CB . 6781 1 813 . 1 1 80 80 PHE CD1 C 13 132.63 0.30 . 3 . . . . 80 PHE CD1 . 6781 1 814 . 1 1 80 80 PHE CE1 C 13 131.85 0.30 . 3 . . . . 80 PHE CE1 . 6781 1 815 . 1 1 80 80 PHE CZ C 13 128.84 0.30 . 1 . . . . 80 PHE CZ . 6781 1 816 . 1 1 80 80 PHE N N 15 121.40 0.30 . 1 . . . . 80 PHE N . 6781 1 817 . 1 1 81 81 LEU H H 1 8.61 0.03 . 1 . . . . 81 LEU H . 6781 1 818 . 1 1 81 81 LEU HA H 1 3.99 0.03 . 1 . . . . 81 LEU HA . 6781 1 819 . 1 1 81 81 LEU HB2 H 1 2.02 0.03 . 1 . . . . 81 LEU HB2 . 6781 1 820 . 1 1 81 81 LEU HB3 H 1 1.40 0.03 . 1 . . . . 81 LEU HB3 . 6781 1 821 . 1 1 81 81 LEU HG H 1 2.50 0.03 . 1 . . . . 81 LEU HG . 6781 1 822 . 1 1 81 81 LEU HD11 H 1 1.04 0.03 . 1 . . . . 81 LEU HD1 . 6781 1 823 . 1 1 81 81 LEU HD12 H 1 1.04 0.03 . 1 . . . . 81 LEU HD1 . 6781 1 824 . 1 1 81 81 LEU HD13 H 1 1.04 0.03 . 1 . . . . 81 LEU HD1 . 6781 1 825 . 1 1 81 81 LEU HD21 H 1 0.88 0.03 . 1 . . . . 81 LEU HD2 . 6781 1 826 . 1 1 81 81 LEU HD22 H 1 0.88 0.03 . 1 . . . . 81 LEU HD2 . 6781 1 827 . 1 1 81 81 LEU HD23 H 1 0.88 0.03 . 1 . . . . 81 LEU HD2 . 6781 1 828 . 1 1 81 81 LEU CA C 13 58.27 0.30 . 1 . . . . 81 LEU CA . 6781 1 829 . 1 1 81 81 LEU CB C 13 41.99 0.30 . 1 . . . . 81 LEU CB . 6781 1 830 . 1 1 81 81 LEU CG C 13 27.21 0.30 . 1 . . . . 81 LEU CG . 6781 1 831 . 1 1 81 81 LEU CD1 C 13 23.41 0.30 . 1 . . . . 81 LEU CD1 . 6781 1 832 . 1 1 81 81 LEU CD2 C 13 28.20 0.30 . 1 . . . . 81 LEU CD2 . 6781 1 833 . 1 1 81 81 LEU N N 15 118.74 0.30 . 1 . . . . 81 LEU N . 6781 1 834 . 1 1 82 82 ILE H H 1 8.18 0.03 . 1 . . . . 82 ILE H . 6781 1 835 . 1 1 82 82 ILE HA H 1 3.90 0.03 . 1 . . . . 82 ILE HA . 6781 1 836 . 1 1 82 82 ILE HB H 1 1.95 0.03 . 1 . . . . 82 ILE HB . 6781 1 837 . 1 1 82 82 ILE HG12 H 1 0.68 0.03 . 1 . . . . 82 ILE HG12 . 6781 1 838 . 1 1 82 82 ILE HG13 H 1 0.99 0.03 . 1 . . . . 82 ILE HG13 . 6781 1 839 . 1 1 82 82 ILE HG21 H 1 0.81 0.03 . 1 . . . . 82 ILE HG2 . 6781 1 840 . 1 1 82 82 ILE HG22 H 1 0.81 0.03 . 1 . . . . 82 ILE HG2 . 6781 1 841 . 1 1 82 82 ILE HG23 H 1 0.81 0.03 . 1 . . . . 82 ILE HG2 . 6781 1 842 . 1 1 82 82 ILE HD11 H 1 0.40 0.03 . 1 . . . . 82 ILE HD1 . 6781 1 843 . 1 1 82 82 ILE HD12 H 1 0.40 0.03 . 1 . . . . 82 ILE HD1 . 6781 1 844 . 1 1 82 82 ILE HD13 H 1 0.40 0.03 . 1 . . . . 82 ILE HD1 . 6781 1 845 . 1 1 82 82 ILE CA C 13 62.48 0.30 . 1 . . . . 82 ILE CA . 6781 1 846 . 1 1 82 82 ILE CB C 13 36.58 0.30 . 1 . . . . 82 ILE CB . 6781 1 847 . 1 1 82 82 ILE CG1 C 13 26.96 0.30 . 1 . . . . 82 ILE CG1 . 6781 1 848 . 1 1 82 82 ILE CG2 C 13 16.76 0.30 . 1 . . . . 82 ILE CG2 . 6781 1 849 . 1 1 82 82 ILE CD1 C 13 11.08 0.30 . 1 . . . . 82 ILE CD1 . 6781 1 850 . 1 1 82 82 ILE N N 15 120.20 0.30 . 1 . . . . 82 ILE N . 6781 1 851 . 1 1 83 83 ARG H H 1 8.32 0.03 . 1 . . . . 83 ARG H . 6781 1 852 . 1 1 83 83 ARG HA H 1 3.97 0.03 . 1 . . . . 83 ARG HA . 6781 1 853 . 1 1 83 83 ARG HB2 H 1 2.02 0.03 . 1 . . . . 83 ARG HB2 . 6781 1 854 . 1 1 83 83 ARG HB3 H 1 1.91 0.03 . 1 . . . . 83 ARG HB3 . 6781 1 855 . 1 1 83 83 ARG HG2 H 1 1.62 0.03 . 1 . . . . 83 ARG HG2 . 6781 1 856 . 1 1 83 83 ARG HG3 H 1 1.77 0.03 . 1 . . . . 83 ARG HG3 . 6781 1 857 . 1 1 83 83 ARG HD2 H 1 3.28 0.03 . 1 . . . . 83 ARG HD2 . 6781 1 858 . 1 1 83 83 ARG CA C 13 59.85 0.30 . 1 . . . . 83 ARG CA . 6781 1 859 . 1 1 83 83 ARG CB C 13 30.41 0.30 . 1 . . . . 83 ARG CB . 6781 1 860 . 1 1 83 83 ARG CG C 13 27.70 0.30 . 1 . . . . 83 ARG CG . 6781 1 861 . 1 1 83 83 ARG CD C 13 43.63 0.30 . 1 . . . . 83 ARG CD . 6781 1 862 . 1 1 83 83 ARG N N 15 123.61 0.30 . 1 . . . . 83 ARG N . 6781 1 863 . 1 1 84 84 GLU H H 1 8.01 0.03 . 1 . . . . 84 GLU H . 6781 1 864 . 1 1 84 84 GLU HA H 1 3.97 0.03 . 1 . . . . 84 GLU HA . 6781 1 865 . 1 1 84 84 GLU HB2 H 1 1.92 0.03 . 1 . . . . 84 GLU HB2 . 6781 1 866 . 1 1 84 84 GLU HB3 H 1 1.19 0.03 . 1 . . . . 84 GLU HB3 . 6781 1 867 . 1 1 84 84 GLU HG2 H 1 1.58 0.03 . 1 . . . . 84 GLU HG2 . 6781 1 868 . 1 1 84 84 GLU HG3 H 1 1.49 0.03 . 1 . . . . 84 GLU HG3 . 6781 1 869 . 1 1 84 84 GLU CA C 13 55.52 0.30 . 1 . . . . 84 GLU CA . 6781 1 870 . 1 1 84 84 GLU CB C 13 30.41 0.30 . 1 . . . . 84 GLU CB . 6781 1 871 . 1 1 84 84 GLU CG C 13 36.58 0.30 . 1 . . . . 84 GLU CG . 6781 1 872 . 1 1 84 84 GLU N N 15 113.71 0.30 . 1 . . . . 84 GLU N . 6781 1 873 . 1 1 85 85 GLY H H 1 7.55 0.03 . 1 . . . . 85 GLY H . 6781 1 874 . 1 1 85 85 GLY HA2 H 1 3.95 0.03 . 1 . . . . 85 GLY HA2 . 6781 1 875 . 1 1 85 85 GLY HA3 H 1 3.78 0.03 . 1 . . . . 85 GLY HA3 . 6781 1 876 . 1 1 85 85 GLY CA C 13 45.89 0.30 . 1 . . . . 85 GLY CA . 6781 1 877 . 1 1 85 85 GLY N N 15 123.41 0.30 . 1 . . . . 85 GLY N . 6781 1 878 . 1 1 86 86 TYR H H 1 8.20 0.03 . 1 . . . . 86 TYR H . 6781 1 879 . 1 1 86 86 TYR HA H 1 4.42 0.03 . 1 . . . . 86 TYR HA . 6781 1 880 . 1 1 86 86 TYR HB2 H 1 3.14 0.03 . 1 . . . . 86 TYR HB2 . 6781 1 881 . 1 1 86 86 TYR HB3 H 1 2.89 0.03 . 1 . . . . 86 TYR HB3 . 6781 1 882 . 1 1 86 86 TYR HD1 H 1 7.10 0.03 . 3 . . . . 86 TYR HD1 . 6781 1 883 . 1 1 86 86 TYR HE1 H 1 6.87 0.03 . 3 . . . . 86 TYR HE1 . 6781 1 884 . 1 1 86 86 TYR CA C 13 59.88 0.30 . 1 . . . . 86 TYR CA . 6781 1 885 . 1 1 86 86 TYR CB C 13 39.88 0.30 . 1 . . . . 86 TYR CB . 6781 1 886 . 1 1 86 86 TYR CD1 C 13 132.76 0.30 . 3 . . . . 86 TYR CD1 . 6781 1 887 . 1 1 86 86 TYR CE1 C 13 118.65 0.30 . 3 . . . . 86 TYR CE1 . 6781 1 888 . 1 1 86 86 TYR N N 15 117.95 0.30 . 1 . . . . 86 TYR N . 6781 1 889 . 1 1 87 87 ILE H H 1 7.09 0.03 . 1 . . . . 87 ILE H . 6781 1 890 . 1 1 87 87 ILE HA H 1 4.69 0.03 . 1 . . . . 87 ILE HA . 6781 1 891 . 1 1 87 87 ILE HB H 1 1.91 0.03 . 1 . . . . 87 ILE HB . 6781 1 892 . 1 1 87 87 ILE HG12 H 1 1.02 0.03 . 1 . . . . 87 ILE HG12 . 6781 1 893 . 1 1 87 87 ILE HG13 H 1 0.70 0.03 . 1 . . . . 87 ILE HG13 . 6781 1 894 . 1 1 87 87 ILE HG21 H 1 0.86 0.03 . 1 . . . . 87 ILE HG2 . 6781 1 895 . 1 1 87 87 ILE HG22 H 1 0.86 0.03 . 1 . . . . 87 ILE HG2 . 6781 1 896 . 1 1 87 87 ILE HG23 H 1 0.86 0.03 . 1 . . . . 87 ILE HG2 . 6781 1 897 . 1 1 87 87 ILE HD11 H 1 0.68 0.03 . 1 . . . . 87 ILE HD1 . 6781 1 898 . 1 1 87 87 ILE HD12 H 1 0.68 0.03 . 1 . . . . 87 ILE HD1 . 6781 1 899 . 1 1 87 87 ILE HD13 H 1 0.68 0.03 . 1 . . . . 87 ILE HD1 . 6781 1 900 . 1 1 87 87 ILE CA C 13 59.01 0.30 . 1 . . . . 87 ILE CA . 6781 1 901 . 1 1 87 87 ILE CB C 13 42.23 0.30 . 1 . . . . 87 ILE CB . 6781 1 902 . 1 1 87 87 ILE CG1 C 13 25.24 0.30 . 1 . . . . 87 ILE CG1 . 6781 1 903 . 1 1 87 87 ILE CG2 C 13 18.73 0.30 . 1 . . . . 87 ILE CG2 . 6781 1 904 . 1 1 87 87 ILE CD1 C 13 14.83 0.30 . 1 . . . . 87 ILE CD1 . 6781 1 905 . 1 1 87 87 ILE N N 15 108.19 0.30 . 1 . . . . 87 ILE N . 6781 1 906 . 1 1 88 88 THR H H 1 7.24 0.03 . 1 . . . . 88 THR H . 6781 1 907 . 1 1 88 88 THR HA H 1 4.48 0.03 . 1 . . . . 88 THR HA . 6781 1 908 . 1 1 88 88 THR HB H 1 4.17 0.03 . 1 . . . . 88 THR HB . 6781 1 909 . 1 1 88 88 THR HG21 H 1 1.11 0.03 . 1 . . . . 88 THR HG2 . 6781 1 910 . 1 1 88 88 THR HG22 H 1 1.11 0.03 . 1 . . . . 88 THR HG2 . 6781 1 911 . 1 1 88 88 THR HG23 H 1 1.11 0.03 . 1 . . . . 88 THR HG2 . 6781 1 912 . 1 1 88 88 THR CA C 13 60.06 0.30 . 1 . . . . 88 THR CA . 6781 1 913 . 1 1 88 88 THR CB C 13 71.35 0.30 . 1 . . . . 88 THR CB . 6781 1 914 . 1 1 88 88 THR CG2 C 13 22.02 0.30 . 1 . . . . 88 THR CG2 . 6781 1 915 . 1 1 88 88 THR N N 15 112.04 0.30 . 1 . . . . 88 THR N . 6781 1 916 . 1 1 89 89 LYS H H 1 8.44 0.03 . 1 . . . . 89 LYS H . 6781 1 917 . 1 1 89 89 LYS HA H 1 4.48 0.03 . 1 . . . . 89 LYS HA . 6781 1 918 . 1 1 89 89 LYS HB2 H 1 1.86 0.03 . 1 . . . . 89 LYS HB2 . 6781 1 919 . 1 1 89 89 LYS HG2 H 1 1.56 0.03 . 1 . . . . 89 LYS HG2 . 6781 1 920 . 1 1 89 89 LYS CA C 13 56.70 0.30 . 1 . . . . 89 LYS CA . 6781 1 921 . 1 1 89 89 LYS CB C 13 33.93 0.30 . 1 . . . . 89 LYS CB . 6781 1 922 . 1 1 89 89 LYS CG C 13 25.03 0.30 . 1 . . . . 89 LYS CG . 6781 1 923 . 1 1 89 89 LYS N N 15 121.67 0.30 . 1 . . . . 89 LYS N . 6781 1 924 . 1 1 90 90 ALA H H 1 7.32 0.03 . 1 . . . . 90 ALA H . 6781 1 925 . 1 1 90 90 ALA HA H 1 4.20 0.03 . 1 . . . . 90 ALA HA . 6781 1 926 . 1 1 90 90 ALA HB1 H 1 1.27 0.03 . 1 . . . . 90 ALA HB . 6781 1 927 . 1 1 90 90 ALA HB2 H 1 1.27 0.03 . 1 . . . . 90 ALA HB . 6781 1 928 . 1 1 90 90 ALA HB3 H 1 1.27 0.03 . 1 . . . . 90 ALA HB . 6781 1 929 . 1 1 90 90 ALA CA C 13 53.59 0.30 . 1 . . . . 90 ALA CA . 6781 1 930 . 1 1 90 90 ALA CB C 13 21.05 0.30 . 1 . . . . 90 ALA CB . 6781 1 931 . 1 1 90 90 ALA N N 15 113.64 0.30 . 1 . . . . 90 ALA N . 6781 1 stop_ save_