data_18776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18776 _Entry.Title ; 1H, 13C, 15N backbone NMR resonance assignments for N-terminal RNA recognition motif of HvRBP1 from Hordeum vulgare L. (barley) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-10 _Entry.Accession_date 2012-10-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Katelyn Mason . E. . 18776 2 Brian Tripet . P. . 18776 3 Andreas Fischer . M. . 18776 4 Valerie Copie . . . 18776 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Montana State University' . 18776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 18776 '15N chemical shifts' 91 18776 '1H chemical shifts' 443 18776 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-17 2012-10-10 update BMRB 'update entry citation' 18776 1 . . 2013-01-22 2012-10-10 original author 'original release' 18776 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18776 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23417794 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, (15)N backbone and side chain NMR resonance assignments for the N-terminal RNA recognition motif of the HvGR-RBP1 protein involved in the regulation of barley (Hordeum vulgare L.) senescence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2013 _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 Katelyn Mason . E. . 18776 1 2 Brian Tripet . P. . 18776 1 3 David Parrott . . . 18776 1 4 Andreas Fischer . M. . 18776 1 5 Valerie Copie . . . 18776 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Barley 18776 1 'glycine-rich RNA-Binding Protein' 18776 1 'Hordeum vulgare L.' 18776 1 'RNA Recognition Motif' 18776 1 Senescence 18776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18776 _Assembly.ID 1 _Assembly.Name 'Hordeum vulgare glycine rich- RNA binding protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9981 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 'Hordeum vulgare glycine rich- RNA binding protein 1' 1 $RBP1 A . yes native no no . . . 18776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBP1 _Entity.Sf_category entity _Entity.Sf_framecode RBP1 _Entity.Entry_ID 18776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RBP1 _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 ; MAESDGAEYRCFVGSLSWNT DDRGLEAAFSSFGEILDAKI INDRETGRSRGFGFVSFSNE QAMQDAIEGMNGKELDGRSI VVNEAQSRGYGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1 1 2 2 ... 91 91 92 92 ; _Entity.Polymer_author_seq_details 'N-Terminal RNA recognition Domain of RBP1' _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MPU . "Structural And Functional Analysis Of The Hordeum Vulgare L. Hvgr-rbp1 Protein, A Glycine-rich Rna Binding Protein Implicated I" . . . . . 100.00 92 100.00 100.00 1.25e-57 . . . . 18776 1 2 no GB AFP52931 . "RBP1 [Hordeum vulgare]" . . . . . 100.00 162 100.00 100.00 2.03e-57 . . . . 18776 1 3 no GB EMT31367 . "Glycine-rich RNA-binding protein GRP1A [Aegilops tauschii]" . . . . . 100.00 146 97.83 98.91 1.10e-55 . . . . 18776 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18776 1 2 2 ALA . 18776 1 3 3 GLU . 18776 1 4 4 SER . 18776 1 5 5 ASP . 18776 1 6 6 GLY . 18776 1 7 7 ALA . 18776 1 8 8 GLU . 18776 1 9 9 TYR . 18776 1 10 10 ARG . 18776 1 11 11 CYS . 18776 1 12 12 PHE . 18776 1 13 13 VAL . 18776 1 14 14 GLY . 18776 1 15 15 SER . 18776 1 16 16 LEU . 18776 1 17 17 SER . 18776 1 18 18 TRP . 18776 1 19 19 ASN . 18776 1 20 20 THR . 18776 1 21 21 ASP . 18776 1 22 22 ASP . 18776 1 23 23 ARG . 18776 1 24 24 GLY . 18776 1 25 25 LEU . 18776 1 26 26 GLU . 18776 1 27 27 ALA . 18776 1 28 28 ALA . 18776 1 29 29 PHE . 18776 1 30 30 SER . 18776 1 31 31 SER . 18776 1 32 32 PHE . 18776 1 33 33 GLY . 18776 1 34 34 GLU . 18776 1 35 35 ILE . 18776 1 36 36 LEU . 18776 1 37 37 ASP . 18776 1 38 38 ALA . 18776 1 39 39 LYS . 18776 1 40 40 ILE . 18776 1 41 41 ILE . 18776 1 42 42 ASN . 18776 1 43 43 ASP . 18776 1 44 44 ARG . 18776 1 45 45 GLU . 18776 1 46 46 THR . 18776 1 47 47 GLY . 18776 1 48 48 ARG . 18776 1 49 49 SER . 18776 1 50 50 ARG . 18776 1 51 51 GLY . 18776 1 52 52 PHE . 18776 1 53 53 GLY . 18776 1 54 54 PHE . 18776 1 55 55 VAL . 18776 1 56 56 SER . 18776 1 57 57 PHE . 18776 1 58 58 SER . 18776 1 59 59 ASN . 18776 1 60 60 GLU . 18776 1 61 61 GLN . 18776 1 62 62 ALA . 18776 1 63 63 MET . 18776 1 64 64 GLN . 18776 1 65 65 ASP . 18776 1 66 66 ALA . 18776 1 67 67 ILE . 18776 1 68 68 GLU . 18776 1 69 69 GLY . 18776 1 70 70 MET . 18776 1 71 71 ASN . 18776 1 72 72 GLY . 18776 1 73 73 LYS . 18776 1 74 74 GLU . 18776 1 75 75 LEU . 18776 1 76 76 ASP . 18776 1 77 77 GLY . 18776 1 78 78 ARG . 18776 1 79 79 SER . 18776 1 80 80 ILE . 18776 1 81 81 VAL . 18776 1 82 82 VAL . 18776 1 83 83 ASN . 18776 1 84 84 GLU . 18776 1 85 85 ALA . 18776 1 86 86 GLN . 18776 1 87 87 SER . 18776 1 88 88 ARG . 18776 1 89 89 GLY . 18776 1 90 90 TYR . 18776 1 91 91 GLY . 18776 1 92 92 GLY . 18776 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 . MET 1 1 18776 1 . ALA 2 2 18776 1 . GLU 3 3 18776 1 . SER 4 4 18776 1 . ASP 5 5 18776 1 . GLY 6 6 18776 1 . ALA 7 7 18776 1 . GLU 8 8 18776 1 . TYR 9 9 18776 1 . ARG 10 10 18776 1 . CYS 11 11 18776 1 . PHE 12 12 18776 1 . VAL 13 13 18776 1 . GLY 14 14 18776 1 . SER 15 15 18776 1 . LEU 16 16 18776 1 . SER 17 17 18776 1 . TRP 18 18 18776 1 . ASN 19 19 18776 1 . THR 20 20 18776 1 . ASP 21 21 18776 1 . ASP 22 22 18776 1 . ARG 23 23 18776 1 . GLY 24 24 18776 1 . LEU 25 25 18776 1 . GLU 26 26 18776 1 . ALA 27 27 18776 1 . ALA 28 28 18776 1 . PHE 29 29 18776 1 . SER 30 30 18776 1 . SER 31 31 18776 1 . PHE 32 32 18776 1 . GLY 33 33 18776 1 . GLU 34 34 18776 1 . ILE 35 35 18776 1 . LEU 36 36 18776 1 . ASP 37 37 18776 1 . ALA 38 38 18776 1 . LYS 39 39 18776 1 . ILE 40 40 18776 1 . ILE 41 41 18776 1 . ASN 42 42 18776 1 . ASP 43 43 18776 1 . ARG 44 44 18776 1 . GLU 45 45 18776 1 . THR 46 46 18776 1 . GLY 47 47 18776 1 . ARG 48 48 18776 1 . SER 49 49 18776 1 . ARG 50 50 18776 1 . GLY 51 51 18776 1 . PHE 52 52 18776 1 . GLY 53 53 18776 1 . PHE 54 54 18776 1 . VAL 55 55 18776 1 . SER 56 56 18776 1 . PHE 57 57 18776 1 . SER 58 58 18776 1 . ASN 59 59 18776 1 . GLU 60 60 18776 1 . GLN 61 61 18776 1 . ALA 62 62 18776 1 . MET 63 63 18776 1 . GLN 64 64 18776 1 . ASP 65 65 18776 1 . ALA 66 66 18776 1 . ILE 67 67 18776 1 . GLU 68 68 18776 1 . GLY 69 69 18776 1 . MET 70 70 18776 1 . ASN 71 71 18776 1 . GLY 72 72 18776 1 . LYS 73 73 18776 1 . GLU 74 74 18776 1 . LEU 75 75 18776 1 . ASP 76 76 18776 1 . GLY 77 77 18776 1 . ARG 78 78 18776 1 . SER 79 79 18776 1 . ILE 80 80 18776 1 . VAL 81 81 18776 1 . VAL 82 82 18776 1 . ASN 83 83 18776 1 . GLU 84 84 18776 1 . ALA 85 85 18776 1 . GLN 86 86 18776 1 . SER 87 87 18776 1 . ARG 88 88 18776 1 . GLY 89 89 18776 1 . TYR 90 90 18776 1 . GLY 91 91 18776 1 . GLY 92 92 18776 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 18776 _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 $RBP1 . 4513 organism . 'Hordeum vulgare L.' barley . . Eukaryota Viridiplantae Hordeum 'Hordeum vulgare L.' . . . . . . . . . . . . . . . . rbp1 . . . . 18776 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 18776 _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 $RBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET46 ek/LIC' . . . . . . 18776 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_HvGR-RBP1 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_HvGR-RBP1 _Sample.Entry_ID 18776 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RBP1 '[U-99% 13C; U-99% 15N]' . . 1 $RBP1 . . 15 . . mM . . . . 18776 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18776 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18776 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18776 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18776 1 6 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 18776 1 7 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 18776 1 stop_ save_ ####################### # Sample conditions # ####################### save_15N_13C_HvGr_RBP1_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 15N_13C_HvGr_RBP1_conditions_1 _Sample_condition_list.Entry_ID 18776 _Sample_condition_list.ID 1 _Sample_condition_list.Details '500 mM NaCl, 50 mM NaPO4, pH 6.5, 5% D20, 0.1 M PMSF, 0.01% Na Azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 18776 1 pH 6.5 . pH 18776 1 pressure 1 . atm 18776 1 temperature 298 . K 18776 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18776 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker BioSpin' ; 15 Fortune Drive Billerica, MA 01821-3991 ; . 18776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18776 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18776 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard ; 111 Franklin Street, 12Floor Oakland, CA 94607 ; . 18776 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18776 2 'data analysis' 18776 2 'peak picking' 18776 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18776 _Software.ID 3 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Software Science Consultant 13840 Grey Colt Drive North Potomac MD 20878 USA ; . 18776 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift indexing' 18776 3 'Spectrum processing' 18776 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18776 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18776 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 18776 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18776 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 3 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 4 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 7 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 8 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 9 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 10 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_13C_HvGR-RBP1 isotropic . . 1 $15N_13C_HvGr_RBP1_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18776 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18776 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18776 _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 carbons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 18776 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 18776 1 N 15 DSS 'methyl carbons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 18776 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $15N_13C_HvGr_RBP1_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.045 _Assigned_chem_shift_list.Chem_shift_13C_err 0.45 _Assigned_chem_shift_list.Chem_shift_15N_err 0.45 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err 0.045 _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18776 1 2 '3D HCCH-TOCSY' . . . 18776 1 3 '3D H(CCO)NH' . . . 18776 1 4 '3D CBCA(CO)NH' . . . 18776 1 5 '3D C(CO)NH' . . . 18776 1 6 '3D HNCACB' . . . 18776 1 7 '3D HBHA(CO)NH' . . . 18776 1 8 '3D 1H-15N NOESY' . . . 18776 1 9 '3D 1H-13C NOESY' . . . 18776 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.293 0.029 . 1 . . . . 1 MET H . 18776 1 2 . 1 1 1 1 MET HA H 1 4.418 0.012 . 1 . . . . 1 MET HA . 18776 1 3 . 1 1 1 1 MET HB2 H 1 2.595 0.024 . 2 . . . . 1 MET HB2 . 18776 1 4 . 1 1 1 1 MET HB3 H 1 2.08 0.045 . 2 . . . . 1 MET HB3 . 18776 1 5 . 1 1 1 1 MET CA C 13 56.075 0.049 . 1 . . . . 1 MET CA . 18776 1 6 . 1 1 1 1 MET CB C 13 33.006 0.015 . 1 . . . . 1 MET CB . 18776 1 7 . 1 1 1 1 MET CG C 13 30.53 0.001 . 1 . . . . 1 MET CG . 18776 1 8 . 1 1 1 1 MET N N 15 120.563 0.45 . 1 . . . . 1 MET N . 18776 1 9 . 1 1 2 2 ALA H H 1 8.209 0.032 . 1 . . . . 2 ALA H . 18776 1 10 . 1 1 2 2 ALA HA H 1 4.325 0.041 . 1 . . . . 2 ALA HA . 18776 1 11 . 1 1 2 2 ALA HB1 H 1 1.387 0.007 . 1 . . . . 2 ALA HB1 . 18776 1 12 . 1 1 2 2 ALA HB2 H 1 1.387 0.007 . 1 . . . . 2 ALA HB1 . 18776 1 13 . 1 1 2 2 ALA HB3 H 1 1.387 0.007 . 1 . . . . 2 ALA HB1 . 18776 1 14 . 1 1 2 2 ALA CA C 13 52.915 0.034 . 1 . . . . 2 ALA CA . 18776 1 15 . 1 1 2 2 ALA CB C 13 19.648 0.099 . 1 . . . . 2 ALA CB . 18776 1 16 . 1 1 2 2 ALA N N 15 125.058 0.025 . 1 . . . . 2 ALA N . 18776 1 17 . 1 1 3 3 GLU H H 1 8.347 0.022 . 1 . . . . 3 GLU H . 18776 1 18 . 1 1 3 3 GLU HA H 1 4.279 0.02 . 1 . . . . 3 GLU HA . 18776 1 19 . 1 1 3 3 GLU HB2 H 1 2.04 0.041 . 2 . . . . 3 GLU HB2 . 18776 1 20 . 1 1 3 3 GLU HB3 H 1 1.951 0.013 . 2 . . . . 3 GLU HB3 . 18776 1 21 . 1 1 3 3 GLU HG2 H 1 2.289 0.011 . 2 . . . . 3 GLU HG2 . 18776 1 22 . 1 1 3 3 GLU HG3 H 1 2.722 0.045 . 2 . . . . 3 GLU HG3 . 18776 1 23 . 1 1 3 3 GLU CA C 13 57.012 0.046 . 1 . . . . 3 GLU CA . 18776 1 24 . 1 1 3 3 GLU CB C 13 30.625 0.096 . 1 . . . . 3 GLU CB . 18776 1 25 . 1 1 3 3 GLU CG C 13 36.742 0.04 . 1 . . . . 3 GLU CG . 18776 1 26 . 1 1 3 3 GLU N N 15 119.828 0.148 . 1 . . . . 3 GLU N . 18776 1 27 . 1 1 4 4 SER H H 1 8.269 0.011 . 1 . . . . 4 SER H . 18776 1 28 . 1 1 4 4 SER HA H 1 4.476 0.012 . 1 . . . . 4 SER HA . 18776 1 29 . 1 1 4 4 SER HB2 H 1 3.883 0.004 . 2 . . . . 4 SER HB2 . 18776 1 30 . 1 1 4 4 SER CA C 13 58.659 0.048 . 1 . . . . 4 SER CA . 18776 1 31 . 1 1 4 4 SER CB C 13 64.442 0.097 . 1 . . . . 4 SER CB . 18776 1 32 . 1 1 4 4 SER N N 15 116.523 0.031 . 1 . . . . 4 SER N . 18776 1 33 . 1 1 5 5 ASP H H 1 8.388 0.031 . 1 . . . . 5 ASP H . 18776 1 34 . 1 1 5 5 ASP HA H 1 4.652 0.043 . 1 . . . . 5 ASP HA . 18776 1 35 . 1 1 5 5 ASP HB2 H 1 2.701 0.024 . 2 . . . . 5 ASP HB2 . 18776 1 36 . 1 1 5 5 ASP HB3 H 1 2.673 0.036 . 2 . . . . 5 ASP HB3 . 18776 1 37 . 1 1 5 5 ASP CA C 13 54.882 0.062 . 1 . . . . 5 ASP CA . 18776 1 38 . 1 1 5 5 ASP CB C 13 41.8 0.101 . 1 . . . . 5 ASP CB . 18776 1 39 . 1 1 5 5 ASP N N 15 123.202 0.052 . 1 . . . . 5 ASP N . 18776 1 40 . 1 1 6 6 GLY H H 1 8.306 0.009 . 1 . . . . 6 GLY H . 18776 1 41 . 1 1 6 6 GLY HA2 H 1 3.917 0.009 . 2 . . . . 6 GLY HA2 . 18776 1 42 . 1 1 6 6 GLY CA C 13 45.66 0.066 . 1 . . . . 6 GLY CA . 18776 1 43 . 1 1 6 6 GLY N N 15 109.503 0.038 . 1 . . . . 6 GLY N . 18776 1 44 . 1 1 7 7 ALA H H 1 8.005 0.01 . 1 . . . . 7 ALA H . 18776 1 45 . 1 1 7 7 ALA HA H 1 4.294 0.039 . 1 . . . . 7 ALA HA . 18776 1 46 . 1 1 7 7 ALA HB1 H 1 1.416 0.007 . 1 . . . . 7 ALA HB1 . 18776 1 47 . 1 1 7 7 ALA HB2 H 1 1.416 0.007 . 1 . . . . 7 ALA HB1 . 18776 1 48 . 1 1 7 7 ALA HB3 H 1 1.416 0.007 . 1 . . . . 7 ALA HB1 . 18776 1 49 . 1 1 7 7 ALA CA C 13 52.479 0.08 . 1 . . . . 7 ALA CA . 18776 1 50 . 1 1 7 7 ALA CB C 13 19.939 0.061 . 1 . . . . 7 ALA CB . 18776 1 51 . 1 1 7 7 ALA N N 15 123.978 0.034 . 1 . . . . 7 ALA N . 18776 1 52 . 1 1 8 8 GLU H H 1 7.824 0.014 . 1 . . . . 8 GLU H . 18776 1 53 . 1 1 8 8 GLU HA H 1 4.271 0.03 . 1 . . . . 8 GLU HA . 18776 1 54 . 1 1 8 8 GLU HB2 H 1 1.7 0.041 . 2 . . . . 8 GLU HB2 . 18776 1 55 . 1 1 8 8 GLU HG2 H 1 2.022 0.035 . 2 . . . . 8 GLU HG2 . 18776 1 56 . 1 1 8 8 GLU CA C 13 56.082 0.027 . 1 . . . . 8 GLU CA . 18776 1 57 . 1 1 8 8 GLU CB C 13 32.359 0.018 . 1 . . . . 8 GLU CB . 18776 1 58 . 1 1 8 8 GLU CG C 13 36.699 0.002 . 1 . . . . 8 GLU CG . 18776 1 59 . 1 1 8 8 GLU N N 15 118.596 0.069 . 1 . . . . 8 GLU N . 18776 1 60 . 1 1 9 9 TYR H H 1 8.724 0.018 . 1 . . . . 9 TYR H . 18776 1 61 . 1 1 9 9 TYR HA H 1 4.838 0.014 . 1 . . . . 9 TYR HA . 18776 1 62 . 1 1 9 9 TYR HB2 H 1 3.254 0.009 . 2 . . . . 9 TYR HB2 . 18776 1 63 . 1 1 9 9 TYR HB3 H 1 2.867 0.038 . 2 . . . . 9 TYR HB3 . 18776 1 64 . 1 1 9 9 TYR HD1 H 1 6.956 0.038 . 3 . . . . 9 TYR HB3 . 18776 1 65 . 1 1 9 9 TYR HE1 H 1 6.949 0.038 . 3 . . . . 9 TYR HB3 . 18776 1 66 . 1 1 9 9 TYR CA C 13 57.559 0.038 . 1 . . . . 9 TYR CA . 18776 1 67 . 1 1 9 9 TYR CB C 13 38.143 0.024 . 1 . . . . 9 TYR CB . 18776 1 68 . 1 1 9 9 TYR CD1 C 13 130.492 0 . 1 . . . . 9 TYR CD1 . 18776 1 69 . 1 1 9 9 TYR CE1 C 13 117.506 0 . 1 . . . . 9 TYR CD1 . 18776 1 70 . 1 1 9 9 TYR N N 15 124.224 0.006 . 1 . . . . 9 TYR N . 18776 1 71 . 1 1 10 10 ARG H H 1 8.487 0.021 . 1 . . . . 10 ARG H . 18776 1 72 . 1 1 10 10 ARG HA H 1 5.413 0.015 . 1 . . . . 10 ARG HA . 18776 1 73 . 1 1 10 10 ARG HB2 H 1 1.725 0.033 . 2 . . . . 10 ARG HB2 . 18776 1 74 . 1 1 10 10 ARG HB3 H 1 1.74 0.045 . 2 . . . . 10 ARG HB3 . 18776 1 75 . 1 1 10 10 ARG HG2 H 1 1.536 0.024 . 2 . . . . 10 ARG HG2 . 18776 1 76 . 1 1 10 10 ARG HG3 H 1 1.489 0.009 . 2 . . . . 10 ARG HG3 . 18776 1 77 . 1 1 10 10 ARG HD2 H 1 2.847 0.017 . 2 . . . . 10 ARG HD2 . 18776 1 78 . 1 1 10 10 ARG CA C 13 55.543 0.047 . 1 . . . . 10 ARG CA . 18776 1 79 . 1 1 10 10 ARG CB C 13 34.588 0.021 . 1 . . . . 10 ARG CB . 18776 1 80 . 1 1 10 10 ARG CG C 13 27.919 0.002 . 1 . . . . 10 ARG CG . 18776 1 81 . 1 1 10 10 ARG CD C 13 44.115 0.45 . 1 . . . . 10 ARG CD . 18776 1 82 . 1 1 10 10 ARG N N 15 124.745 0.109 . 1 . . . . 10 ARG N . 18776 1 83 . 1 1 11 11 CYS H H 1 9.642 0.014 . 1 . . . . 11 CYS H . 18776 1 84 . 1 1 11 11 CYS HA H 1 5.21 0.013 . 1 . . . . 11 CYS HA . 18776 1 85 . 1 1 11 11 CYS HB2 H 1 2.757 0.016 . 2 . . . . 11 CYS HB2 . 18776 1 86 . 1 1 11 11 CYS HB3 H 1 2.721 0.031 . 2 . . . . 11 CYS HB3 . 18776 1 87 . 1 1 11 11 CYS CA C 13 58.028 0.02 . 1 . . . . 11 CYS CA . 18776 1 88 . 1 1 11 11 CYS CB C 13 30.04 0.065 . 1 . . . . 11 CYS CB . 18776 1 89 . 1 1 11 11 CYS N N 15 121.772 0.006 . 1 . . . . 11 CYS N . 18776 1 90 . 1 1 12 12 PHE H H 1 9.164 0.015 . 1 . . . . 12 PHE H . 18776 1 91 . 1 1 12 12 PHE HA H 1 4.593 0.02 . 1 . . . . 12 PHE HA . 18776 1 92 . 1 1 12 12 PHE HB2 H 1 2.956 0.012 . 2 . . . . 12 PHE HB2 . 18776 1 93 . 1 1 12 12 PHE HD1 H 1 6.907 0.019 . 3 . . . . 12 PHE HD1 . 18776 1 94 . 1 1 12 12 PHE CA C 13 57.954 0.089 . 1 . . . . 12 PHE CA . 18776 1 95 . 1 1 12 12 PHE CB C 13 40.955 0.043 . 1 . . . . 12 PHE CB . 18776 1 96 . 1 1 12 12 PHE CD1 C 13 130.555 0 . 1 . . . . 12 PHE CD1 . 18776 1 97 . 1 1 12 12 PHE N N 15 126.076 0.022 . 1 . . . . 12 PHE N . 18776 1 98 . 1 1 13 13 VAL H H 1 7.807 0.007 . 1 . . . . 13 VAL H . 18776 1 99 . 1 1 13 13 VAL HA H 1 4.814 0.028 . 1 . . . . 13 VAL HA . 18776 1 100 . 1 1 13 13 VAL HB H 1 1.393 0.017 . 1 . . . . 13 VAL HB . 18776 1 101 . 1 1 13 13 VAL HG11 H 1 0.851 0.028 . 2 . . . . 13 VAL HG11 . 18776 1 102 . 1 1 13 13 VAL HG12 H 1 0.851 0.028 . 2 . . . . 13 VAL HG11 . 18776 1 103 . 1 1 13 13 VAL HG13 H 1 0.851 0.028 . 2 . . . . 13 VAL HG11 . 18776 1 104 . 1 1 13 13 VAL HG21 H 1 0.446 0.014 . 2 . . . . 13 VAL HG21 . 18776 1 105 . 1 1 13 13 VAL HG22 H 1 0.446 0.014 . 2 . . . . 13 VAL HG21 . 18776 1 106 . 1 1 13 13 VAL HG23 H 1 0.446 0.014 . 2 . . . . 13 VAL HG21 . 18776 1 107 . 1 1 13 13 VAL CA C 13 60.231 0.045 . 1 . . . . 13 VAL CA . 18776 1 108 . 1 1 13 13 VAL CB C 13 33.092 0.047 . 1 . . . . 13 VAL CB . 18776 1 109 . 1 1 13 13 VAL CG1 C 13 23.631 0.001 . 2 . . . . 13 VAL CG1 . 18776 1 110 . 1 1 13 13 VAL CG2 C 13 21.539 0.001 . 2 . . . . 13 VAL CG2 . 18776 1 111 . 1 1 13 13 VAL N N 15 127.398 0.039 . 1 . . . . 13 VAL N . 18776 1 112 . 1 1 14 14 GLY H H 1 9.233 0.013 . 1 . . . . 14 GLY H . 18776 1 113 . 1 1 14 14 GLY HA2 H 1 4.751 0.021 . 2 . . . . 14 GLY HA2 . 18776 1 114 . 1 1 14 14 GLY HA3 H 1 3.597 0.009 . 2 . . . . 14 GLY HA3 . 18776 1 115 . 1 1 14 14 GLY CA C 13 43.907 0.06 . 1 . . . . 14 GLY CA . 18776 1 116 . 1 1 14 14 GLY N N 15 111.522 0.026 . 1 . . . . 14 GLY N . 18776 1 117 . 1 1 15 15 SER H H 1 8.442 0.01 . 1 . . . . 15 SER H . 18776 1 118 . 1 1 15 15 SER HA H 1 4.502 0.02 . 1 . . . . 15 SER HA . 18776 1 119 . 1 1 15 15 SER HB2 H 1 4.015 0.024 . 2 . . . . 15 SER HB2 . 18776 1 120 . 1 1 15 15 SER CA C 13 59.104 0.082 . 1 . . . . 15 SER CA . 18776 1 121 . 1 1 15 15 SER CB C 13 63.747 0.078 . 1 . . . . 15 SER CB . 18776 1 122 . 1 1 15 15 SER N N 15 111.478 0.033 . 1 . . . . 15 SER N . 18776 1 123 . 1 1 16 16 LEU H H 1 7.644 0.007 . 1 . . . . 16 LEU H . 18776 1 124 . 1 1 16 16 LEU HA H 1 4.244 0.016 . 1 . . . . 16 LEU HA . 18776 1 125 . 1 1 16 16 LEU HB2 H 1 1.299 0.028 . 2 . . . . 16 LEU HB2 . 18776 1 126 . 1 1 16 16 LEU HB3 H 1 1.022 0.043 . 2 . . . . 16 LEU HB3 . 18776 1 127 . 1 1 16 16 LEU HG H 1 1.312 0.001 . 1 . . . . 16 LEU HG . 18776 1 128 . 1 1 16 16 LEU HD11 H 1 0.721 0.039 . 2 . . . . 16 LEU HD1 . 18776 1 129 . 1 1 16 16 LEU HD12 H 1 0.721 0.039 . 2 . . . . 16 LEU HD1 . 18776 1 130 . 1 1 16 16 LEU HD13 H 1 0.721 0.039 . 2 . . . . 16 LEU HD1 . 18776 1 131 . 1 1 16 16 LEU HD21 H 1 0.399 0.016 . 2 . . . . 16 LEU HD2 . 18776 1 132 . 1 1 16 16 LEU HD22 H 1 0.399 0.016 . 2 . . . . 16 LEU HD2 . 18776 1 133 . 1 1 16 16 LEU HD23 H 1 0.399 0.016 . 2 . . . . 16 LEU HD2 . 18776 1 134 . 1 1 16 16 LEU CA C 13 54.162 0.094 . 1 . . . . 16 LEU CA . 18776 1 135 . 1 1 16 16 LEU CB C 13 44.621 0.095 . 1 . . . . 16 LEU CB . 18776 1 136 . 1 1 16 16 LEU CG C 13 27.4 0.001 . 1 . . . . 16 LEU CG . 18776 1 137 . 1 1 16 16 LEU CD1 C 13 24.309 0.45 . 2 . . . . 16 LEU CD1 . 18776 1 138 . 1 1 16 16 LEU CD2 C 13 26.947 0.45 . 2 . . . . 16 LEU CD2 . 18776 1 139 . 1 1 16 16 LEU N N 15 113.683 0.026 . 1 . . . . 16 LEU N . 18776 1 140 . 1 1 17 17 SER H H 1 9.612 0.014 . 1 . . . . 17 SER H . 18776 1 141 . 1 1 17 17 SER HA H 1 4.029 0.028 . 1 . . . . 17 SER HA . 18776 1 142 . 1 1 17 17 SER HB2 H 1 3.787 0.001 . 1 . . . . 17 SER HB2 . 18776 1 143 . 1 1 17 17 SER CA C 13 58.193 0.046 . 1 . . . . 17 SER CA . 18776 1 144 . 1 1 17 17 SER CB C 13 64.042 0.11 . 1 . . . . 17 SER CB . 18776 1 145 . 1 1 17 17 SER N N 15 115.568 0.01 . 1 . . . . 17 SER N . 18776 1 146 . 1 1 18 18 TRP H H 1 8.249 0.009 . 1 . . . . 18 TRP H . 18776 1 147 . 1 1 18 18 TRP HA H 1 4.475 0.027 . 1 . . . . 18 TRP HA . 18776 1 148 . 1 1 18 18 TRP HB2 H 1 3.386 0.023 . 2 . . . . 18 TRP HB2 . 18776 1 149 . 1 1 18 18 TRP HB3 H 1 3.354 0.045 . 2 . . . . 18 TRP HB3 . 18776 1 150 . 1 1 18 18 TRP HE3 H 1 7.276 0 . 4 . . . . 18 TRP HE3 . 18776 1 151 . 1 1 18 18 TRP CA C 13 58.698 0.08 . 1 . . . . 18 TRP CA . 18776 1 152 . 1 1 18 18 TRP CB C 13 28.802 0.042 . 1 . . . . 18 TRP CB . 18776 1 153 . 1 1 18 18 TRP CE3 C 13 120.228 0 . 1 . . . . 18 TRP CE3 . 18776 1 154 . 1 1 18 18 TRP N N 15 127.421 0.014 . 1 . . . . 18 TRP N . 18776 1 155 . 1 1 19 19 ASN H H 1 7.976 0.008 . 1 . . . . 19 ASN H . 18776 1 156 . 1 1 19 19 ASN HA H 1 4.543 0.016 . 1 . . . . 19 ASN HA . 18776 1 157 . 1 1 19 19 ASN HB2 H 1 2.377 0.023 . 2 . . . . 19 ASN HB2 . 18776 1 158 . 1 1 19 19 ASN CA C 13 53.76 0.09 . 1 . . . . 19 ASN CA . 18776 1 159 . 1 1 19 19 ASN CB C 13 38.942 0.196 . 1 . . . . 19 ASN CB . 18776 1 160 . 1 1 19 19 ASN N N 15 114.212 0.03 . 1 . . . . 19 ASN N . 18776 1 161 . 1 1 20 20 THR H H 1 7.329 0.011 . 1 . . . . 20 THR H . 18776 1 162 . 1 1 20 20 THR HA H 1 4.218 0.021 . 1 . . . . 20 THR HA . 18776 1 163 . 1 1 20 20 THR HB H 1 3.858 0.013 . 1 . . . . 20 THR HB . 18776 1 164 . 1 1 20 20 THR HG21 H 1 1.228 0.016 . 1 . . . . 20 THR HG1 . 18776 1 165 . 1 1 20 20 THR HG22 H 1 1.228 0.016 . 1 . . . . 20 THR HG1 . 18776 1 166 . 1 1 20 20 THR HG23 H 1 1.228 0.016 . 1 . . . . 20 THR HG1 . 18776 1 167 . 1 1 20 20 THR CA C 13 64.982 0.031 . 1 . . . . 20 THR CA . 18776 1 168 . 1 1 20 20 THR CB C 13 68.935 0.122 . 1 . . . . 20 THR CB . 18776 1 169 . 1 1 20 20 THR N N 15 119.948 0.027 . 1 . . . . 20 THR N . 18776 1 170 . 1 1 21 21 ASP H H 1 8.328 0.011 . 1 . . . . 21 ASP H . 18776 1 171 . 1 1 21 21 ASP HA H 1 4.935 0.014 . 1 . . . . 21 ASP HA . 18776 1 172 . 1 1 21 21 ASP HB2 H 1 3.227 0.018 . 2 . . . . 21 ASP HB2 . 18776 1 173 . 1 1 21 21 ASP HB3 H 1 2.727 0.036 . 2 . . . . 21 ASP HB3 . 18776 1 174 . 1 1 21 21 ASP CA C 13 51.904 0.018 . 1 . . . . 21 ASP CA . 18776 1 175 . 1 1 21 21 ASP CB C 13 43.007 0.038 . 1 . . . . 21 ASP CB . 18776 1 176 . 1 1 21 21 ASP N N 15 128.939 0.005 . 1 . . . . 21 ASP N . 18776 1 177 . 1 1 22 22 ASP H H 1 8.21 0.019 . 1 . . . . 22 ASP H . 18776 1 178 . 1 1 22 22 ASP HA H 1 3.924 0.022 . 1 . . . . 22 ASP HA . 18776 1 179 . 1 1 22 22 ASP HB2 H 1 2.834 0.015 . 2 . . . . 22 ASP HB2 . 18776 1 180 . 1 1 22 22 ASP HB3 H 1 2.661 0.019 . 2 . . . . 22 ASP HB3 . 18776 1 181 . 1 1 22 22 ASP CA C 13 58.551 0.074 . 1 . . . . 22 ASP CA . 18776 1 182 . 1 1 22 22 ASP CB C 13 40.412 0.03 . 1 . . . . 22 ASP CB . 18776 1 183 . 1 1 22 22 ASP N N 15 118.631 0.026 . 1 . . . . 22 ASP N . 18776 1 184 . 1 1 23 23 ARG H H 1 7.857 0.01 . 1 . . . . 23 ARG H . 18776 1 185 . 1 1 23 23 ARG HA H 1 4.141 0.023 . 1 . . . . 23 ARG HA . 18776 1 186 . 1 1 23 23 ARG HB2 H 1 1.929 0.026 . 2 . . . . 23 ARG HB2 . 18776 1 187 . 1 1 23 23 ARG HG2 H 1 1.757 0.001 . 2 . . . . 23 ARG HG2 . 18776 1 188 . 1 1 23 23 ARG HD2 H 1 3.286 0.06 . 2 . . . . 23 ARG HD2 . 18776 1 189 . 1 1 23 23 ARG HD3 H 1 3.497 0.045 . 2 . . . . 23 ARG HD3 . 18776 1 190 . 1 1 23 23 ARG CA C 13 59.244 0.197 . 1 . . . . 23 ARG CA . 18776 1 191 . 1 1 23 23 ARG CB C 13 29.942 0.056 . 1 . . . . 23 ARG CB . 18776 1 192 . 1 1 23 23 ARG CG C 13 27.347 0.45 . 1 . . . . 23 ARG CG . 18776 1 193 . 1 1 23 23 ARG CD C 13 43.595 0.45 . 1 . . . . 23 ARG CD . 18776 1 194 . 1 1 23 23 ARG N N 15 118.64 0.064 . 1 . . . . 23 ARG N . 18776 1 195 . 1 1 24 24 GLY H H 1 8.618 0.012 . 1 . . . . 24 GLY H . 18776 1 196 . 1 1 24 24 GLY HA2 H 1 4.253 0.035 . 2 . . . . 24 GLY HA2 . 18776 1 197 . 1 1 24 24 GLY HA3 H 1 3.902 0.022 . 2 . . . . 24 GLY HA3 . 18776 1 198 . 1 1 24 24 GLY CA C 13 47.053 0.03 . 1 . . . . 24 GLY CA . 18776 1 199 . 1 1 24 24 GLY N N 15 111.659 0.026 . 1 . . . . 24 GLY N . 18776 1 200 . 1 1 25 25 LEU H H 1 8.463 0.013 . 1 . . . . 25 LEU H . 18776 1 201 . 1 1 25 25 LEU HA H 1 4.061 0.009 . 1 . . . . 25 LEU HA . 18776 1 202 . 1 1 25 25 LEU HB2 H 1 1.727 0.027 . 2 . . . . 25 LEU HB2 . 18776 1 203 . 1 1 25 25 LEU HB3 H 1 1.377 0.018 . 2 . . . . 25 LEU HB3 . 18776 1 204 . 1 1 25 25 LEU CA C 13 58.291 0.093 . 1 . . . . 25 LEU CA . 18776 1 205 . 1 1 25 25 LEU CB C 13 42.648 0.054 . 1 . . . . 25 LEU CB . 18776 1 206 . 1 1 25 25 LEU CG C 13 26.371 0.45 . 1 . . . . 25 LEU CG . 18776 1 207 . 1 1 25 25 LEU CD1 C 13 25.517 0.45 . 2 . . . . 25 LEU CD1 . 18776 1 208 . 1 1 25 25 LEU CD2 C 13 24.811 0.45 . 2 . . . . 25 LEU CD2 . 18776 1 209 . 1 1 25 25 LEU N N 15 123.79 0.025 . 1 . . . . 25 LEU N . 18776 1 210 . 1 1 26 26 GLU H H 1 8.126 0.007 . 1 . . . . 26 GLU H . 18776 1 211 . 1 1 26 26 GLU HA H 1 3.622 0.013 . 1 . . . . 26 GLU HA . 18776 1 212 . 1 1 26 26 GLU HB2 H 1 2.142 0.028 . 2 . . . . 26 GLU HB2 . 18776 1 213 . 1 1 26 26 GLU HB3 H 1 2.062 0.03 . 2 . . . . 26 GLU HB3 . 18776 1 214 . 1 1 26 26 GLU HG2 H 1 2.216 0.037 . 2 . . . . 26 GLU HG2 . 18776 1 215 . 1 1 26 26 GLU HG3 H 1 1.727 0.029 . 2 . . . . 26 GLU HG3 . 18776 1 216 . 1 1 26 26 GLU CA C 13 60.812 0.107 . 1 . . . . 26 GLU CA . 18776 1 217 . 1 1 26 26 GLU CB C 13 29.956 0.04 . 1 . . . . 26 GLU CB . 18776 1 218 . 1 1 26 26 GLU CG C 13 36.709 0.001 . 1 . . . . 26 GLU CG . 18776 1 219 . 1 1 26 26 GLU N N 15 118.156 0.025 . 1 . . . . 26 GLU N . 18776 1 220 . 1 1 27 27 ALA H H 1 8.339 0.014 . 1 . . . . 27 ALA H . 18776 1 221 . 1 1 27 27 ALA HA H 1 4.221 0.031 . 1 . . . . 27 ALA HA . 18776 1 222 . 1 1 27 27 ALA HB1 H 1 1.311 0.043 . 1 . . . . 27 ALA HB1 . 18776 1 223 . 1 1 27 27 ALA HB2 H 1 1.562 0.045 . 1 . . . . 27 ALA HB2 . 18776 1 224 . 1 1 27 27 ALA HB3 H 1 1.562 0.045 . 1 . . . . 27 ALA HB2 . 18776 1 225 . 1 1 27 27 ALA CA C 13 55.556 0.05 . 1 . . . . 27 ALA CA . 18776 1 226 . 1 1 27 27 ALA CB C 13 18.536 0.032 . 1 . . . . 27 ALA CB . 18776 1 227 . 1 1 27 27 ALA N N 15 119.408 0.128 . 1 . . . . 27 ALA N . 18776 1 228 . 1 1 28 28 ALA H H 1 7.836 0.035 . 1 . . . . 28 ALA H . 18776 1 229 . 1 1 28 28 ALA HA H 1 4.229 0.021 . 1 . . . . 28 ALA HA . 18776 1 230 . 1 1 28 28 ALA HB1 H 1 1.547 0.015 . 1 . . . . 28 ALA HB1 . 18776 1 231 . 1 1 28 28 ALA HB2 H 1 1.547 0.015 . 1 . . . . 28 ALA HB1 . 18776 1 232 . 1 1 28 28 ALA HB3 H 1 1.547 0.015 . 1 . . . . 28 ALA HB1 . 18776 1 233 . 1 1 28 28 ALA CA C 13 54.463 0.04 . 1 . . . . 28 ALA CA . 18776 1 234 . 1 1 28 28 ALA CB C 13 19.463 0.034 . 1 . . . . 28 ALA CB . 18776 1 235 . 1 1 28 28 ALA N N 15 118.729 0.172 . 1 . . . . 28 ALA N . 18776 1 236 . 1 1 29 29 PHE H H 1 7.848 0.006 . 1 . . . . 29 PHE H . 18776 1 237 . 1 1 29 29 PHE HA H 1 4.854 0.031 . 1 . . . . 29 PHE HA . 18776 1 238 . 1 1 29 29 PHE HB2 H 1 3.618 0.018 . 2 . . . . 29 PHE HB2 . 18776 1 239 . 1 1 29 29 PHE HB3 H 1 2.975 0.015 . 2 . . . . 29 PHE HB3 . 18776 1 240 . 1 1 29 29 PHE CA C 13 60.245 0.044 . 1 . . . . 29 PHE CA . 18776 1 241 . 1 1 29 29 PHE CB C 13 41.453 0.024 . 1 . . . . 29 PHE CB . 18776 1 242 . 1 1 29 29 PHE N N 15 114.266 0.027 . 1 . . . . 29 PHE N . 18776 1 243 . 1 1 30 30 SER H H 1 8.094 0.021 . 1 . . . . 30 SER H . 18776 1 244 . 1 1 30 30 SER HA H 1 4.462 0.02 . 1 . . . . 30 SER HA . 18776 1 245 . 1 1 30 30 SER HB2 H 1 4.201 0.019 . 2 . . . . 30 SER HB2 . 18776 1 246 . 1 1 30 30 SER HB3 H 1 4.133 0.021 . 2 . . . . 30 SER HB3 . 18776 1 247 . 1 1 30 30 SER CA C 13 62.098 0.165 . 1 . . . . 30 SER CA . 18776 1 248 . 1 1 30 30 SER CB C 13 63.879 0.064 . 1 . . . . 30 SER CB . 18776 1 249 . 1 1 30 30 SER N N 15 116.824 0.03 . 1 . . . . 30 SER N . 18776 1 250 . 1 1 31 31 SER H H 1 8.079 0.018 . 1 . . . . 31 SER H . 18776 1 251 . 1 1 31 31 SER HA H 1 4.121 0.02 . 1 . . . . 31 SER HA . 18776 1 252 . 1 1 31 31 SER HB2 H 1 3.464 0.02 . 2 . . . . 31 SER HB2 . 18776 1 253 . 1 1 31 31 SER HB3 H 1 3.413 0.035 . 2 . . . . 31 SER HB3 . 18776 1 254 . 1 1 31 31 SER CA C 13 60.801 0.055 . 1 . . . . 31 SER CA . 18776 1 255 . 1 1 31 31 SER CB C 13 62.904 0.065 . 1 . . . . 31 SER CB . 18776 1 256 . 1 1 31 31 SER N N 15 115.222 0.032 . 1 . . . . 31 SER N . 18776 1 257 . 1 1 32 32 PHE H H 1 7.567 0.006 . 1 . . . . 32 PHE H . 18776 1 258 . 1 1 32 32 PHE HA H 1 4.359 0.013 . 1 . . . . 32 PHE HA . 18776 1 259 . 1 1 32 32 PHE HB2 H 1 3.317 0.016 . 2 . . . . 32 PHE HB2 . 18776 1 260 . 1 1 32 32 PHE HB3 H 1 2.939 0.016 . 2 . . . . 32 PHE HB3 . 18776 1 261 . 1 1 32 32 PHE CA C 13 60.25 0.031 . 1 . . . . 32 PHE CA . 18776 1 262 . 1 1 32 32 PHE CB C 13 39.814 0.044 . 1 . . . . 32 PHE CB . 18776 1 263 . 1 1 32 32 PHE N N 15 117.764 0.097 . 1 . . . . 32 PHE N . 18776 1 264 . 1 1 33 33 GLY H H 1 7.429 0.023 . 1 . . . . 33 GLY H . 18776 1 265 . 1 1 33 33 GLY HA2 H 1 4.351 0.019 . 2 . . . . 33 GLY HA2 . 18776 1 266 . 1 1 33 33 GLY HA3 H 1 3.963 0.01 . 2 . . . . 33 GLY HA3 . 18776 1 267 . 1 1 33 33 GLY CA C 13 45.136 0.033 . 1 . . . . 33 GLY CA . 18776 1 268 . 1 1 33 33 GLY N N 15 104.28 0.036 . 1 . . . . 33 GLY N . 18776 1 269 . 1 1 34 34 GLU H H 1 8.321 0.01 . 1 . . . . 34 GLU H . 18776 1 270 . 1 1 34 34 GLU HA H 1 4.234 0.001 . 1 . . . . 34 GLU HA . 18776 1 271 . 1 1 34 34 GLU HB2 H 1 2.075 0.014 . 2 . . . . 34 GLU HB2 . 18776 1 272 . 1 1 34 34 GLU HB3 H 1 2.008 0.045 . 2 . . . . 34 GLU HB3 . 18776 1 273 . 1 1 34 34 GLU HG2 H 1 2.324 0.045 . 2 . . . . 34 GLU HG2 . 18776 1 274 . 1 1 34 34 GLU CA C 13 57.543 0.054 . 1 . . . . 34 GLU CA . 18776 1 275 . 1 1 34 34 GLU CB C 13 30.356 0.044 . 1 . . . . 34 GLU CB . 18776 1 276 . 1 1 34 34 GLU CG C 13 36.36 0.45 . 1 . . . . 34 GLU CG . 18776 1 277 . 1 1 34 34 GLU N N 15 119.085 0.223 . 1 . . . . 34 GLU N . 18776 1 278 . 1 1 35 35 ILE H H 1 8.594 0.012 . 1 . . . . 35 ILE H . 18776 1 279 . 1 1 35 35 ILE HA H 1 4.152 0.016 . 1 . . . . 35 ILE HA . 18776 1 280 . 1 1 35 35 ILE HB H 1 1.776 0.01 . 1 . . . . 35 ILE HB . 18776 1 281 . 1 1 35 35 ILE HG21 H 1 0.647 0.017 . 1 . . . . 35 ILE HG2 . 18776 1 282 . 1 1 35 35 ILE HG22 H 1 0.647 0.017 . 1 . . . . 35 ILE HG2 . 18776 1 283 . 1 1 35 35 ILE HG23 H 1 0.647 0.017 . 1 . . . . 35 ILE HG2 . 18776 1 284 . 1 1 35 35 ILE CA C 13 60.332 0.104 . 1 . . . . 35 ILE CA . 18776 1 285 . 1 1 35 35 ILE CB C 13 39.124 0.089 . 1 . . . . 35 ILE CB . 18776 1 286 . 1 1 35 35 ILE CG1 C 13 17.981 0.45 . 1 . . . . 35 ILE CG2 . 18776 1 287 . 1 1 35 35 ILE CG2 C 13 18.46 0.001 . 1 . . . . 35 ILE CG3 . 18776 1 288 . 1 1 35 35 ILE CD1 C 13 14.822 0.003 . 1 . . . . 35 ILE CD1 . 18776 1 289 . 1 1 35 35 ILE N N 15 128.103 0.021 . 1 . . . . 35 ILE N . 18776 1 290 . 1 1 36 36 LEU H H 1 8.832 0.016 . 1 . . . . 36 LEU H . 18776 1 291 . 1 1 36 36 LEU HA H 1 4.284 0.016 . 1 . . . . 36 LEU HA . 18776 1 292 . 1 1 36 36 LEU HB2 H 1 1.423 0.023 . 2 . . . . 36 LEU HB2 . 18776 1 293 . 1 1 36 36 LEU HG H 1 1.52 0.001 . 1 . . . . 36 LEU HG . 18776 1 294 . 1 1 36 36 LEU HD11 H 1 0.821 0.016 . 2 . . . . 36 LEU HD1 . 18776 1 295 . 1 1 36 36 LEU HD12 H 1 0.821 0.016 . 2 . . . . 36 LEU HD1 . 18776 1 296 . 1 1 36 36 LEU HD13 H 1 0.821 0.016 . 2 . . . . 36 LEU HD1 . 18776 1 297 . 1 1 36 36 LEU CA C 13 56.076 0.039 . 1 . . . . 36 LEU CA . 18776 1 298 . 1 1 36 36 LEU CB C 13 42.561 0.103 . 1 . . . . 36 LEU CB . 18776 1 299 . 1 1 36 36 LEU CG C 13 27.939 0.45 . 1 . . . . 36 LEU CG . 18776 1 300 . 1 1 36 36 LEU CD1 C 13 26.324 0.45 . 2 . . . . 36 LEU CD1 . 18776 1 301 . 1 1 36 36 LEU CD2 C 13 22.684 0.45 . 2 . . . . 36 LEU CD2 . 18776 1 302 . 1 1 36 36 LEU N N 15 128.533 0.067 . 1 . . . . 36 LEU N . 18776 1 303 . 1 1 37 37 ASP H H 1 7.197 0.007 . 1 . . . . 37 ASP H . 18776 1 304 . 1 1 37 37 ASP HA H 1 4.637 0.015 . 1 . . . . 37 ASP HA . 18776 1 305 . 1 1 37 37 ASP HB2 H 1 2.668 0.024 . 2 . . . . 37 ASP HB2 . 18776 1 306 . 1 1 37 37 ASP HB3 H 1 2.311 0.013 . 2 . . . . 37 ASP HB3 . 18776 1 307 . 1 1 37 37 ASP CA C 13 54.51 0.044 . 1 . . . . 37 ASP CA . 18776 1 308 . 1 1 37 37 ASP CB C 13 44.569 0.023 . 1 . . . . 37 ASP CB . 18776 1 309 . 1 1 37 37 ASP N N 15 115.897 0.025 . 1 . . . . 37 ASP N . 18776 1 310 . 1 1 38 38 ALA H H 1 8.089 0.008 . 1 . . . . 38 ALA H . 18776 1 311 . 1 1 38 38 ALA HA H 1 4.985 0.017 . 1 . . . . 38 ALA HA . 18776 1 312 . 1 1 38 38 ALA HB1 H 1 1.168 0.021 . 1 . . . . 38 ALA HB1 . 18776 1 313 . 1 1 38 38 ALA HB2 H 1 1.168 0.021 . 1 . . . . 38 ALA HB1 . 18776 1 314 . 1 1 38 38 ALA HB3 H 1 1.168 0.021 . 1 . . . . 38 ALA HB1 . 18776 1 315 . 1 1 38 38 ALA CA C 13 51.871 0.003 . 1 . . . . 38 ALA CA . 18776 1 316 . 1 1 38 38 ALA CB C 13 21.066 0.04 . 1 . . . . 38 ALA CB . 18776 1 317 . 1 1 38 38 ALA N N 15 126.192 0.005 . 1 . . . . 38 ALA N . 18776 1 318 . 1 1 39 39 LYS H H 1 8.351 0.015 . 1 . . . . 39 LYS H . 18776 1 319 . 1 1 39 39 LYS HA H 1 4.671 0.013 . 1 . . . . 39 LYS HA . 18776 1 320 . 1 1 39 39 LYS HB2 H 1 1.647 0.013 . 2 . . . . 39 LYS HB2 . 18776 1 321 . 1 1 39 39 LYS HB3 H 1 1.56 0.004 . 2 . . . . 39 LYS HB3 . 18776 1 322 . 1 1 39 39 LYS HG2 H 1 1.316 0.001 . 2 . . . . 39 LYS HG2 . 18776 1 323 . 1 1 39 39 LYS HG3 H 1 1.382 0.014 . 2 . . . . 39 LYS HG3 . 18776 1 324 . 1 1 39 39 LYS HD2 H 1 1.719 0.007 . 2 . . . . 39 LYS HD2 . 18776 1 325 . 1 1 39 39 LYS HD3 H 1 1.298 0.014 . 2 . . . . 39 LYS HD3 . 18776 1 326 . 1 1 39 39 LYS HE2 H 1 3.182 0.091 . 2 . . . . 39 LYS HE2 . 18776 1 327 . 1 1 39 39 LYS CA C 13 54.788 0.134 . 1 . . . . 39 LYS CA . 18776 1 328 . 1 1 39 39 LYS CB C 13 36.857 0.06 . 1 . . . . 39 LYS CB . 18776 1 329 . 1 1 39 39 LYS CG C 13 24.26 0.45 . 1 . . . . 39 LYS CG . 18776 1 330 . 1 1 39 39 LYS CD C 13 29.413 0.026 . 1 . . . . 39 LYS CD . 18776 1 331 . 1 1 39 39 LYS CE C 13 42.438 0.45 . 1 . . . . 39 LYS CE . 18776 1 332 . 1 1 39 39 LYS N N 15 120.633 0.04 . 1 . . . . 39 LYS N . 18776 1 333 . 1 1 40 40 ILE H H 1 8.415 0.013 . 1 . . . . 40 ILE H . 18776 1 334 . 1 1 40 40 ILE HA H 1 4.052 0.029 . 1 . . . . 40 ILE HA . 18776 1 335 . 1 1 40 40 ILE HB H 1 1.833 0.016 . 1 . . . . 40 ILE HB . 18776 1 336 . 1 1 40 40 ILE HG12 H 1 1.244 0.02 . 2 . . . . 40 ILE HG12 . 18776 1 337 . 1 1 40 40 ILE HG13 H 1 1.268 0.045 . 1 . . . . 40 ILE HG21 . 18776 1 338 . 1 1 40 40 ILE HG21 H 1 0.8112 0.001 . 1 . . . . 40 ILE HG2 . 18776 1 339 . 1 1 40 40 ILE HG22 H 1 0.8112 0.001 . 1 . . . . 40 ILE HG2 . 18776 1 340 . 1 1 40 40 ILE HG23 H 1 0.8112 0.001 . 1 . . . . 40 ILE HG2 . 18776 1 341 . 1 1 40 40 ILE CA C 13 58.717 0.046 . 1 . . . . 40 ILE CA . 18776 1 342 . 1 1 40 40 ILE CB C 13 38.168 0.062 . 1 . . . . 40 ILE CB . 18776 1 343 . 1 1 40 40 ILE CG1 C 13 27.338 0.45 . 1 . . . . 40 ILE CG1 . 18776 1 344 . 1 1 40 40 ILE CG2 C 13 17.956 0.45 . 1 . . . . 40 ILE CG2 . 18776 1 345 . 1 1 40 40 ILE CD1 C 13 12.385 0.45 . 1 . . . . 40 ILE CD1 . 18776 1 346 . 1 1 40 40 ILE N N 15 123.563 0.065 . 1 . . . . 40 ILE N . 18776 1 347 . 1 1 41 41 ILE H H 1 8.322 0.009 . 1 . . . . 41 ILE H . 18776 1 348 . 1 1 41 41 ILE HA H 1 4.034 0.017 . 1 . . . . 41 ILE HA . 18776 1 349 . 1 1 41 41 ILE HB H 1 1.012 0.012 . 1 . . . . 41 ILE HB . 18776 1 350 . 1 1 41 41 ILE HG21 H 1 1.385 0.001 . 1 . . . . 41 ILE HG2 . 18776 1 351 . 1 1 41 41 ILE HG22 H 1 1.385 0.001 . 1 . . . . 41 ILE HG2 . 18776 1 352 . 1 1 41 41 ILE HG23 H 1 1.385 0.001 . 1 . . . . 41 ILE HG2 . 18776 1 353 . 1 1 41 41 ILE HG12 H 1 0.776 0.007 . 1 . . . . 41 ILE HG12 . 18776 1 354 . 1 1 41 41 ILE HG13 H 1 0.754 0.045 . 1 . . . . 41 ILE HG13 . 18776 1 355 . 1 1 41 41 ILE CA C 13 58.688 0.223 . 1 . . . . 41 ILE CA . 18776 1 356 . 1 1 41 41 ILE CB C 13 34.407 0.092 . 1 . . . . 41 ILE CB . 18776 1 357 . 1 1 41 41 ILE CG1 C 13 27.827 0.45 . 1 . . . . 41 ILE CG1 . 18776 1 358 . 1 1 41 41 ILE CG2 C 13 18.321 0.001 . 1 . . . . 41 ILE CG2 . 18776 1 359 . 1 1 41 41 ILE N N 15 127.213 0.025 . 1 . . . . 41 ILE N . 18776 1 360 . 1 1 42 42 ASN H H 1 8.225 0.01 . 1 . . . . 42 ASN H . 18776 1 361 . 1 1 42 42 ASN HA H 1 5.136 0.009 . 1 . . . . 42 ASN HA . 18776 1 362 . 1 1 42 42 ASN HB2 H 1 2.408 0.011 . 2 . . . . 42 ASN HB2 . 18776 1 363 . 1 1 42 42 ASN HB3 H 1 2.148 0.017 . 2 . . . . 42 ASN HB3 . 18776 1 364 . 1 1 42 42 ASN CA C 13 51.862 0.033 . 1 . . . . 42 ASN CA . 18776 1 365 . 1 1 42 42 ASN CB C 13 41.421 0.047 . 1 . . . . 42 ASN CB . 18776 1 366 . 1 1 42 42 ASN N N 15 124.306 0.005 . 1 . . . . 42 ASN N . 18776 1 367 . 1 1 43 43 ASP H H 1 8.956 0.011 . 1 . . . . 43 ASP H . 18776 1 368 . 1 1 43 43 ASP HA H 1 4.513 0.016 . 1 . . . . 43 ASP HA . 18776 1 369 . 1 1 43 43 ASP HB2 H 1 3.013 0.016 . 2 . . . . 43 ASP HB2 . 18776 1 370 . 1 1 43 43 ASP HB3 H 1 2.512 0.03 . 2 . . . . 43 ASP HB3 . 18776 1 371 . 1 1 43 43 ASP CA C 13 54.558 0.061 . 1 . . . . 43 ASP CA . 18776 1 372 . 1 1 43 43 ASP CB C 13 43.373 0.068 . 1 . . . . 43 ASP CB . 18776 1 373 . 1 1 43 43 ASP N N 15 122.737 0.023 . 1 . . . . 43 ASP N . 18776 1 374 . 1 1 44 44 ARG H H 1 9.01 0.017 . 1 . . . . 44 ARG H . 18776 1 375 . 1 1 44 44 ARG HA H 1 4.045 0.014 . 1 . . . . 44 ARG HA . 18776 1 376 . 1 1 44 44 ARG HB2 H 1 1.929 0.015 . 2 . . . . 44 ARG HB2 . 18776 1 377 . 1 1 44 44 ARG HG2 H 1 1.745 0.009 . 2 . . . . 44 ARG HG2 . 18776 1 378 . 1 1 44 44 ARG HD2 H 1 3.266 0.018 . 2 . . . . 44 ARG HD2 . 18776 1 379 . 1 1 44 44 ARG CA C 13 59.119 0.093 . 1 . . . . 44 ARG CA . 18776 1 380 . 1 1 44 44 ARG CB C 13 30.541 0.109 . 1 . . . . 44 ARG CB . 18776 1 381 . 1 1 44 44 ARG CG C 13 27.85 0.45 . 1 . . . . 44 ARG CG . 18776 1 382 . 1 1 44 44 ARG CD C 13 43.589 0.002 . 1 . . . . 44 ARG CD . 18776 1 383 . 1 1 44 44 ARG N N 15 128.065 0.005 . 1 . . . . 44 ARG N . 18776 1 384 . 1 1 45 45 GLU H H 1 8.602 0.008 . 1 . . . . 45 GLU H . 18776 1 385 . 1 1 45 45 GLU HA H 1 4.281 0.011 . 1 . . . . 45 GLU HA . 18776 1 386 . 1 1 45 45 GLU HB2 H 1 2.233 0.044 . 2 . . . . 45 GLU HB2 . 18776 1 387 . 1 1 45 45 GLU HB3 H 1 2.167 0.035 . 2 . . . . 45 GLU HB3 . 18776 1 388 . 1 1 45 45 GLU HG2 H 1 2.33 0.045 . 2 . . . . 45 GLU HG2 . 18776 1 389 . 1 1 45 45 GLU CA C 13 58.822 0.039 . 1 . . . . 45 GLU CA . 18776 1 390 . 1 1 45 45 GLU CB C 13 30.768 0.117 . 1 . . . . 45 GLU CB . 18776 1 391 . 1 1 45 45 GLU CG C 13 36.843 0.45 . 1 . . . . 45 GLU CG . 18776 1 392 . 1 1 45 45 GLU N N 15 117.9 0.025 . 1 . . . . 45 GLU N . 18776 1 393 . 1 1 46 46 THR H H 1 8.139 0.009 . 1 . . . . 46 THR H . 18776 1 394 . 1 1 46 46 THR HA H 1 4.379 0.019 . 1 . . . . 46 THR HA . 18776 1 395 . 1 1 46 46 THR HB H 1 4.305 0.001 . 1 . . . . 46 THR HB . 18776 1 396 . 1 1 46 46 THR HG21 H 1 1.22 0.012 . 1 . . . . 46 THR HG21 . 18776 1 397 . 1 1 46 46 THR HG22 H 1 1.22 0.012 . 1 . . . . 46 THR HG21 . 18776 1 398 . 1 1 46 46 THR HG23 H 1 1.22 0.012 . 1 . . . . 46 THR HG21 . 18776 1 399 . 1 1 46 46 THR CA C 13 62.164 0.117 . 1 . . . . 46 THR CA . 18776 1 400 . 1 1 46 46 THR CB C 13 71.248 0.14 . 1 . . . . 46 THR CB . 18776 1 401 . 1 1 46 46 THR CG2 C 13 21.597 0.45 . 1 . . . . 46 THR CG2 . 18776 1 402 . 1 1 46 46 THR N N 15 107.054 0.03 . 1 . . . . 46 THR N . 18776 1 403 . 1 1 47 47 GLY H H 1 8.242 0.008 . 1 . . . . 47 GLY H . 18776 1 404 . 1 1 47 47 GLY HA2 H 1 4.159 0.019 . 2 . . . . 47 GLY HA2 . 18776 1 405 . 1 1 47 47 GLY HA3 H 1 3.756 0.011 . 2 . . . . 47 GLY HA3 . 18776 1 406 . 1 1 47 47 GLY CA C 13 46.104 0.051 . 1 . . . . 47 GLY CA . 18776 1 407 . 1 1 47 47 GLY N N 15 111.153 0.001 . 1 . . . . 47 GLY N . 18776 1 408 . 1 1 48 48 ARG H H 1 7.688 0.006 . 1 . . . . 48 ARG H . 18776 1 409 . 1 1 48 48 ARG HA H 1 4.297 0.015 . 1 . . . . 48 ARG HA . 18776 1 410 . 1 1 48 48 ARG HB2 H 1 1.79 0.013 . 2 . . . . 48 ARG HB2 . 18776 1 411 . 1 1 48 48 ARG HB3 H 1 1.61 0.029 . 2 . . . . 48 ARG HB3 . 18776 1 412 . 1 1 48 48 ARG HD2 H 1 3.03 0.014 . 2 . . . . 48 ARG HD2 . 18776 1 413 . 1 1 48 48 ARG HD3 H 1 3.07 0.045 . 2 . . . . 48 ARG HD3 . 18776 1 414 . 1 1 48 48 ARG CA C 13 55.883 0.053 . 1 . . . . 48 ARG CA . 18776 1 415 . 1 1 48 48 ARG CB C 13 32.206 0.041 . 1 . . . . 48 ARG CB . 18776 1 416 . 1 1 48 48 ARG CG C 13 27.803 0.45 . 1 . . . . 48 ARG CG . 18776 1 417 . 1 1 48 48 ARG CD C 13 43.642 0.45 . 1 . . . . 48 ARG CD . 18776 1 418 . 1 1 48 48 ARG N N 15 119.634 0.029 . 1 . . . . 48 ARG N . 18776 1 419 . 1 1 49 49 SER H H 1 8.54 0.009 . 1 . . . . 49 SER H . 18776 1 420 . 1 1 49 49 SER HA H 1 4.575 0.018 . 1 . . . . 49 SER HA . 18776 1 421 . 1 1 49 49 SER HB2 H 1 4.159 0.029 . 2 . . . . 49 SER HB2 . 18776 1 422 . 1 1 49 49 SER HB3 H 1 3.835 0.024 . 2 . . . . 49 SER HB3 . 18776 1 423 . 1 1 49 49 SER CA C 13 58.7 0.021 . 1 . . . . 49 SER CA . 18776 1 424 . 1 1 49 49 SER CB C 13 64.984 0.079 . 1 . . . . 49 SER CB . 18776 1 425 . 1 1 49 49 SER N N 15 116.775 0.029 . 1 . . . . 49 SER N . 18776 1 426 . 1 1 50 50 ARG H H 1 9.195 0.014 . 1 . . . . 50 ARG H . 18776 1 427 . 1 1 50 50 ARG HA H 1 4.474 0.013 . 1 . . . . 50 ARG HA . 18776 1 428 . 1 1 50 50 ARG HB2 H 1 2.298 0.019 . 2 . . . . 50 ARG HB2 . 18776 1 429 . 1 1 50 50 ARG HB3 H 1 1.241 0.025 . 2 . . . . 50 ARG HB3 . 18776 1 430 . 1 1 50 50 ARG HG2 H 1 1.674 0.012 . 2 . . . . 50 ARG HG2 . 18776 1 431 . 1 1 50 50 ARG HG3 H 1 1.69 0.045 . 2 . . . . 50 ARG HG3 . 18776 1 432 . 1 1 50 50 ARG HD2 H 1 3.285 0.034 . 2 . . . . 50 ARG HD2 . 18776 1 433 . 1 1 50 50 ARG HD3 H 1 3.038 0.023 . 2 . . . . 50 ARG HD3 . 18776 1 434 . 1 1 50 50 ARG CA C 13 57.151 0.067 . 1 . . . . 50 ARG CA . 18776 1 435 . 1 1 50 50 ARG CB C 13 30.992 0.018 . 1 . . . . 50 ARG CB . 18776 1 436 . 1 1 50 50 ARG CG C 13 28.356 0.055 . 1 . . . . 50 ARG CG . 18776 1 437 . 1 1 50 50 ARG CD C 13 44.131 0.001 . 1 . . . . 50 ARG CD . 18776 1 438 . 1 1 50 50 ARG N N 15 124.344 0.024 . 1 . . . . 50 ARG N . 18776 1 439 . 1 1 51 51 GLY H H 1 9.623 0.013 . 1 . . . . 51 GLY H . 18776 1 440 . 1 1 51 51 GLY HA2 H 1 4.198 0.02 . 2 . . . . 51 GLY HA2 . 18776 1 441 . 1 1 51 51 GLY HA3 H 1 3.297 0.02 . 2 . . . . 51 GLY HA3 . 18776 1 442 . 1 1 51 51 GLY CA C 13 46.172 0.045 . 1 . . . . 51 GLY CA . 18776 1 443 . 1 1 51 51 GLY N N 15 108.648 0.006 . 1 . . . . 51 GLY N . 18776 1 444 . 1 1 52 52 PHE H H 1 7.138 0.01 . 1 . . . . 52 PHE H . 18776 1 445 . 1 1 52 52 PHE HA H 1 5.243 0.011 . 1 . . . . 52 PHE HA . 18776 1 446 . 1 1 52 52 PHE HB2 H 1 3.22 0.016 . 2 . . . . 52 PHE HB2 . 18776 1 447 . 1 1 52 52 PHE HB3 H 1 2.93 0.038 . 2 . . . . 52 PHE HB3 . 18776 1 448 . 1 1 52 52 PHE HD1 H 1 7.179 0 . 3 . . . . 52 PHE HD1 . 18776 1 449 . 1 1 52 52 PHE CA C 13 55.272 0.033 . 1 . . . . 52 PHE CA . 18776 1 450 . 1 1 52 52 PHE CB C 13 42.003 0.052 . 1 . . . . 52 PHE CB . 18776 1 451 . 1 1 52 52 PHE CD1 C 13 128.99 0 . 3 . . . . 52 PHE CD1 . 18776 1 452 . 1 1 52 52 PHE N N 15 112.468 0.031 . 1 . . . . 52 PHE N . 18776 1 453 . 1 1 53 53 GLY H H 1 8.922 0.012 . 1 . . . . 53 GLY H . 18776 1 454 . 1 1 53 53 GLY HA2 H 1 3.845 0.013 . 2 . . . . 53 GLY HA2 . 18776 1 455 . 1 1 53 53 GLY CA C 13 45.587 0.071 . 1 . . . . 53 GLY CA . 18776 1 456 . 1 1 53 53 GLY N N 15 106.38 0.052 . 1 . . . . 53 GLY N . 18776 1 457 . 1 1 54 54 PHE H H 1 8.072 0.01 . 1 . . . . 54 PHE H . 18776 1 458 . 1 1 54 54 PHE HA H 1 5.692 0.045 . 1 . . . . 54 PHE HA . 18776 1 459 . 1 1 54 54 PHE HD1 H 1 7.062 0 . 3 . . . . 54 PHE HD1 . 18776 1 460 . 1 1 54 54 PHE CA C 13 58.193 0.45 . 1 . . . . 54 PHE CA . 18776 1 461 . 1 1 54 54 PHE CB C 13 39.257 0.45 . 1 . . . . 54 PHE CB . 18776 1 462 . 1 1 54 54 PHE CD1 C 13 129.115 0 . 1 . . . . 54 PHE CD1 . 18776 1 463 . 1 1 54 54 PHE N N 15 120.24 0.078 . 1 . . . . 54 PHE N . 18776 1 464 . 1 1 55 55 VAL HA H 1 4.443 0.026 . 1 . . . . 55 VAL HA . 18776 1 465 . 1 1 55 55 VAL HB H 1 1.211 0.009 . 1 . . . . 55 VAL HB . 18776 1 466 . 1 1 55 55 VAL HG11 H 1 0.136 0.017 . 2 . . . . 55 VAL HG11 . 18776 1 467 . 1 1 55 55 VAL HG12 H 1 0.136 0.017 . 2 . . . . 55 VAL HG11 . 18776 1 468 . 1 1 55 55 VAL HG13 H 1 0.136 0.017 . 2 . . . . 55 VAL HG11 . 18776 1 469 . 1 1 55 55 VAL CA C 13 61.417 0.45 . 1 . . . . 55 VAL CA . 18776 1 470 . 1 1 55 55 VAL CB C 13 35.201 0.45 . 1 . . . . 55 VAL CB . 18776 1 471 . 1 1 55 55 VAL CG1 C 13 22.691 0.45 . 2 . . . . 55 VAL CG1 . 18776 1 472 . 1 1 55 55 VAL CG2 C 13 20.956 0.45 . 2 . . . . 55 VAL CG2 . 18776 1 473 . 1 1 56 56 SER H H 1 8.886 0.01 . 1 . . . . 56 SER H . 18776 1 474 . 1 1 56 56 SER HA H 1 5.299 0.018 . 1 . . . . 56 SER HA . 18776 1 475 . 1 1 56 56 SER HB2 H 1 3.731 0.03 . 2 . . . . 56 SER HB2 . 18776 1 476 . 1 1 56 56 SER HB3 H 1 3.723 0.029 . 2 . . . . 56 SER HB3 . 18776 1 477 . 1 1 56 56 SER CA C 13 57.31 0.137 . 1 . . . . 56 SER CA . 18776 1 478 . 1 1 56 56 SER CB C 13 65.453 0.019 . 1 . . . . 56 SER CB . 18776 1 479 . 1 1 56 56 SER N N 15 122.005 0.01 . 1 . . . . 56 SER N . 18776 1 480 . 1 1 57 57 PHE H H 1 9.154 0.013 . 1 . . . . 57 PHE H . 18776 1 481 . 1 1 57 57 PHE HA H 1 5.454 0.021 . 1 . . . . 57 PHE HA . 18776 1 482 . 1 1 57 57 PHE HB2 H 1 3.624 0.016 . 2 . . . . 57 PHE HB2 . 18776 1 483 . 1 1 57 57 PHE HB3 H 1 3.01 0.022 . 2 . . . . 57 PHE HB3 . 18776 1 484 . 1 1 57 57 PHE HD1 H 1 7.166 0 . 1 . . . . 57 PHE HD1 . 18776 1 485 . 1 1 57 57 PHE CA C 13 57.619 0.013 . 1 . . . . 57 PHE CA . 18776 1 486 . 1 1 57 57 PHE CB C 13 43.962 0.034 . 1 . . . . 57 PHE CB . 18776 1 487 . 1 1 57 57 PHE CD1 C 13 135.875 0 . 1 . . . . 57 PHE CD1 . 18776 1 488 . 1 1 57 57 PHE N N 15 123.381 0.019 . 1 . . . . 57 PHE N . 18776 1 489 . 1 1 58 58 SER H H 1 8.923 0.013 . 1 . . . . 58 SER H . 18776 1 490 . 1 1 58 58 SER HA H 1 4.735 0.019 . 1 . . . . 58 SER HA . 18776 1 491 . 1 1 58 58 SER HB2 H 1 4.314 0.027 . 2 . . . . 58 SER HB2 . 18776 1 492 . 1 1 58 58 SER HB3 H 1 3.821 0.016 . 2 . . . . 58 SER HB3 . 18776 1 493 . 1 1 58 58 SER CA C 13 59.282 0.048 . 1 . . . . 58 SER CA . 18776 1 494 . 1 1 58 58 SER CB C 13 65.03 0.056 . 1 . . . . 58 SER CB . 18776 1 495 . 1 1 58 58 SER N N 15 113.204 0.024 . 1 . . . . 58 SER N . 18776 1 496 . 1 1 59 59 ASN H H 1 7.591 0.007 . 1 . . . . 59 ASN H . 18776 1 497 . 1 1 59 59 ASN HA H 1 4.547 0.013 . 1 . . . . 59 ASN HA . 18776 1 498 . 1 1 59 59 ASN HB2 H 1 2.837 0.024 . 2 . . . . 59 ASN HB2 . 18776 1 499 . 1 1 59 59 ASN HB3 H 1 2.534 0.015 . 2 . . . . 59 ASN HB3 . 18776 1 500 . 1 1 59 59 ASN CA C 13 52.853 0.02 . 1 . . . . 59 ASN CA . 18776 1 501 . 1 1 59 59 ASN CB C 13 41.968 0.044 . 1 . . . . 59 ASN CB . 18776 1 502 . 1 1 59 59 ASN N N 15 115.833 0.047 . 1 . . . . 59 ASN N . 18776 1 503 . 1 1 60 60 GLU H H 1 7.987 0.006 . 1 . . . . 60 GLU H . 18776 1 504 . 1 1 60 60 GLU HA H 1 3.176 0.019 . 1 . . . . 60 GLU HA . 18776 1 505 . 1 1 60 60 GLU HB2 H 1 1.652 0.01 . 2 . . . . 60 GLU HB2 . 18776 1 506 . 1 1 60 60 GLU HB3 H 1 1.47 0.021 . 2 . . . . 60 GLU HB3 . 18776 1 507 . 1 1 60 60 GLU HG2 H 1 2.108 0.005 . 2 . . . . 60 GLU HG2 . 18776 1 508 . 1 1 60 60 GLU CA C 13 59.392 0.108 . 1 . . . . 60 GLU CA . 18776 1 509 . 1 1 60 60 GLU CB C 13 30.43 0.036 . 1 . . . . 60 GLU CB . 18776 1 510 . 1 1 60 60 GLU CG C 13 36.8 0.45 . 1 . . . . 60 GLU CG . 18776 1 511 . 1 1 60 60 GLU N N 15 122.289 0.017 . 1 . . . . 60 GLU N . 18776 1 512 . 1 1 61 61 GLN H H 1 8.163 0.046 . 1 . . . . 61 GLN H . 18776 1 513 . 1 1 61 61 GLN HA H 1 3.779 0.023 . 1 . . . . 61 GLN HA . 18776 1 514 . 1 1 61 61 GLN HB2 H 1 2.104 0.023 . 2 . . . . 61 GLN HB2 . 18776 1 515 . 1 1 61 61 GLN HB3 H 1 1.981 0.023 . 2 . . . . 61 GLN HB3 . 18776 1 516 . 1 1 61 61 GLN HG2 H 1 2.362 0.019 . 2 . . . . 61 GLN HG2 . 18776 1 517 . 1 1 61 61 GLN CA C 13 59.001 0.063 . 1 . . . . 61 GLN CA . 18776 1 518 . 1 1 61 61 GLN CB C 13 28.471 0.033 . 1 . . . . 61 GLN CB . 18776 1 519 . 1 1 61 61 GLN CG C 13 34.169 0.001 . 1 . . . . 61 GLN CG . 18776 1 520 . 1 1 61 61 GLN N N 15 119.867 0.023 . 1 . . . . 61 GLN N . 18776 1 521 . 1 1 62 62 ALA H H 1 7.685 0.006 . 1 . . . . 62 ALA H . 18776 1 522 . 1 1 62 62 ALA HA H 1 3.867 0.016 . 1 . . . . 62 ALA HA . 18776 1 523 . 1 1 62 62 ALA HB1 H 1 1.217 0.011 . 1 . . . . 62 ALA HB1 . 18776 1 524 . 1 1 62 62 ALA HB2 H 1 1.217 0.011 . 1 . . . . 62 ALA HB1 . 18776 1 525 . 1 1 62 62 ALA HB3 H 1 1.217 0.011 . 1 . . . . 62 ALA HB1 . 18776 1 526 . 1 1 62 62 ALA CA C 13 55.408 0.028 . 1 . . . . 62 ALA CA . 18776 1 527 . 1 1 62 62 ALA CB C 13 19.962 0.043 . 1 . . . . 62 ALA CB . 18776 1 528 . 1 1 62 62 ALA N N 15 121.088 0.028 . 1 . . . . 62 ALA N . 18776 1 529 . 1 1 63 63 MET H H 1 6.433 0.009 . 1 . . . . 63 MET H . 18776 1 530 . 1 1 63 63 MET HA H 1 3.253 0.01 . 1 . . . . 63 MET HA . 18776 1 531 . 1 1 63 63 MET HB2 H 1 2.23 0.045 . 2 . . . . 63 MET HB2 . 18776 1 532 . 1 1 63 63 MET HB3 H 1 2.35 0.045 . 2 . . . . 63 MET HB3 . 18776 1 533 . 1 1 63 63 MET HG2 H 1 3.244 0.013 . 2 . . . . 63 MET HG2 . 18776 1 534 . 1 1 63 63 MET CA C 13 59.27 0.039 . 1 . . . . 63 MET CA . 18776 1 535 . 1 1 63 63 MET CB C 13 32.808 0.078 . 1 . . . . 63 MET CB . 18776 1 536 . 1 1 63 63 MET CG C 13 31.591 0.45 . 1 . . . . 63 MET CG . 18776 1 537 . 1 1 63 63 MET N N 15 114.605 0.03 . 1 . . . . 63 MET N . 18776 1 538 . 1 1 64 64 GLN H H 1 8.191 0.018 . 1 . . . . 64 GLN H . 18776 1 539 . 1 1 64 64 GLN HA H 1 3.925 0.018 . 1 . . . . 64 GLN HA . 18776 1 540 . 1 1 64 64 GLN HB2 H 1 2.439 0.033 . 2 . . . . 64 GLN HB2 . 18776 1 541 . 1 1 64 64 GLN HB3 H 1 2.065 0.02 . 2 . . . . 64 GLN HB3 . 18776 1 542 . 1 1 64 64 GLN HG2 H 1 2.537 0.019 . 2 . . . . 64 GLN HG2 . 18776 1 543 . 1 1 64 64 GLN HG3 H 1 2.837 0.045 . 2 . . . . 64 GLN HG3 . 18776 1 544 . 1 1 64 64 GLN CA C 13 59.301 0.041 . 1 . . . . 64 GLN CA . 18776 1 545 . 1 1 64 64 GLN CB C 13 27.911 0.051 . 1 . . . . 64 GLN CB . 18776 1 546 . 1 1 64 64 GLN CG C 13 33.631 0.001 . 1 . . . . 64 GLN CG . 18776 1 547 . 1 1 64 64 GLN N N 15 117.777 0.078 . 1 . . . . 64 GLN N . 18776 1 548 . 1 1 65 65 ASP H H 1 8.813 0.014 . 1 . . . . 65 ASP H . 18776 1 549 . 1 1 65 65 ASP HA H 1 4.264 0.011 . 1 . . . . 65 ASP HA . 18776 1 550 . 1 1 65 65 ASP HB2 H 1 2.885 0.01 . 2 . . . . 65 ASP HB2 . 18776 1 551 . 1 1 65 65 ASP HB3 H 1 2.744 0.016 . 2 . . . . 65 ASP HB3 . 18776 1 552 . 1 1 65 65 ASP CA C 13 57.442 0.05 . 1 . . . . 65 ASP CA . 18776 1 553 . 1 1 65 65 ASP CB C 13 40.178 0.057 . 1 . . . . 65 ASP CB . 18776 1 554 . 1 1 65 65 ASP N N 15 121.093 0.006 . 1 . . . . 65 ASP N . 18776 1 555 . 1 1 66 66 ALA H H 1 8.009 0.009 . 1 . . . . 66 ALA H . 18776 1 556 . 1 1 66 66 ALA HA H 1 2.151 0.038 . 1 . . . . 66 ALA HA . 18776 1 557 . 1 1 66 66 ALA HB1 H 1 1.281 0.006 . 1 . . . . 66 ALA HB1 . 18776 1 558 . 1 1 66 66 ALA HB2 H 1 1.298 0.008 . 1 . . . . 66 ALA HB2 . 18776 1 559 . 1 1 66 66 ALA HB3 H 1 1.298 0.008 . 1 . . . . 66 ALA HB2 . 18776 1 560 . 1 1 66 66 ALA CA C 13 54.542 0.03 . 1 . . . . 66 ALA CA . 18776 1 561 . 1 1 66 66 ALA CB C 13 20.221 0.093 . 1 . . . . 66 ALA CB . 18776 1 562 . 1 1 66 66 ALA N N 15 125.406 0.105 . 1 . . . . 66 ALA N . 18776 1 563 . 1 1 67 67 ILE H H 1 7.922 0.006 . 1 . . . . 67 ILE H . 18776 1 564 . 1 1 67 67 ILE HA H 1 3.392 0.017 . 1 . . . . 67 ILE HA . 18776 1 565 . 1 1 67 67 ILE HB H 1 1.83 0.019 . 1 . . . . 67 ILE HB . 18776 1 566 . 1 1 67 67 ILE HG12 H 1 0.962 0.027 . 1 . . . . 67 ILE HG12 . 18776 1 567 . 1 1 67 67 ILE HG13 H 1 0.962 0.027 . 1 . . . . 67 ILE HG13 . 18776 1 568 . 1 1 67 67 ILE HG21 H 1 0.618 0.045 . 1 . . . . 67 ILE HG2 . 18776 1 569 . 1 1 67 67 ILE HG22 H 1 0.618 0.045 . 1 . . . . 67 ILE HG2 . 18776 1 570 . 1 1 67 67 ILE HG23 H 1 0.618 0.045 . 1 . . . . 67 ILE HG2 . 18776 1 571 . 1 1 67 67 ILE HD11 H 1 0.641 0.033 . 1 . . . . 67 ILE HD1 . 18776 1 572 . 1 1 67 67 ILE HD12 H 1 0.641 0.033 . 1 . . . . 67 ILE HD1 . 18776 1 573 . 1 1 67 67 ILE HD13 H 1 0.641 0.033 . 1 . . . . 67 ILE HD1 . 18776 1 574 . 1 1 67 67 ILE CA C 13 66.49 0.034 . 1 . . . . 67 ILE CA . 18776 1 575 . 1 1 67 67 ILE CB C 13 39.236 0.054 . 1 . . . . 67 ILE CB . 18776 1 576 . 1 1 67 67 ILE CG1 C 13 30.998 0.45 . 1 . . . . 67 ILE CG1 . 18776 1 577 . 1 1 67 67 ILE CG2 C 13 17.506 0.009 . 1 . . . . 67 ILE CG2 . 18776 1 578 . 1 1 67 67 ILE CD1 C 13 15.325 0.45 . 1 . . . . 67 ILE CD1 . 18776 1 579 . 1 1 67 67 ILE N N 15 119.175 0.027 . 1 . . . . 67 ILE N . 18776 1 580 . 1 1 68 68 GLU H H 1 7.793 0.007 . 1 . . . . 68 GLU H . 18776 1 581 . 1 1 68 68 GLU HA H 1 4.028 0.018 . 1 . . . . 68 GLU HA . 18776 1 582 . 1 1 68 68 GLU HB2 H 1 2.058 0.023 . 2 . . . . 68 GLU HB2 . 18776 1 583 . 1 1 68 68 GLU HG2 H 1 2.324 0.045 . 2 . . . . 68 GLU HG2 . 18776 1 584 . 1 1 68 68 GLU CA C 13 59.206 0.036 . 1 . . . . 68 GLU CA . 18776 1 585 . 1 1 68 68 GLU CB C 13 30.227 0.13 . 1 . . . . 68 GLU CB . 18776 1 586 . 1 1 68 68 GLU CG C 13 36.673 0.45 . 1 . . . . 68 GLU CG . 18776 1 587 . 1 1 68 68 GLU N N 15 117.153 0.034 . 1 . . . . 68 GLU N . 18776 1 588 . 1 1 69 69 GLY H H 1 8.347 0.009 . 1 . . . . 69 GLY H . 18776 1 589 . 1 1 69 69 GLY HA2 H 1 4.074 0.012 . 2 . . . . 69 GLY HA2 . 18776 1 590 . 1 1 69 69 GLY HA3 H 1 3.544 0.014 . 2 . . . . 69 GLY HA3 . 18776 1 591 . 1 1 69 69 GLY CA C 13 46.608 0.032 . 1 . . . . 69 GLY CA . 18776 1 592 . 1 1 69 69 GLY N N 15 104.98 0.029 . 1 . . . . 69 GLY N . 18776 1 593 . 1 1 70 70 MET H H 1 7.893 0.021 . 1 . . . . 70 MET H . 18776 1 594 . 1 1 70 70 MET HA H 1 5.047 0.014 . 1 . . . . 70 MET HA . 18776 1 595 . 1 1 70 70 MET HB2 H 1 2.044 0.005 . 2 . . . . 70 MET HB2 . 18776 1 596 . 1 1 70 70 MET HB3 H 1 1.736 0.038 . 2 . . . . 70 MET HB3 . 18776 1 597 . 1 1 70 70 MET HG2 H 1 2.026 0.011 . 2 . . . . 70 MET HG2 . 18776 1 598 . 1 1 70 70 MET CA C 13 53.949 0.008 . 1 . . . . 70 MET CA . 18776 1 599 . 1 1 70 70 MET CB C 13 33.949 0.096 . 1 . . . . 70 MET CB . 18776 1 600 . 1 1 70 70 MET N N 15 115.257 0.029 . 1 . . . . 70 MET N . 18776 1 601 . 1 1 71 71 ASN H H 1 7.777 0.014 . 1 . . . . 71 ASN H . 18776 1 602 . 1 1 71 71 ASN HA H 1 4.377 0.01 . 1 . . . . 71 ASN HA . 18776 1 603 . 1 1 71 71 ASN HB2 H 1 3.325 0.017 . 2 . . . . 71 ASN HB2 . 18776 1 604 . 1 1 71 71 ASN HB3 H 1 2.971 0.017 . 2 . . . . 71 ASN HB3 . 18776 1 605 . 1 1 71 71 ASN CA C 13 57.576 0.041 . 1 . . . . 71 ASN CA . 18776 1 606 . 1 1 71 71 ASN CB C 13 39.277 0.03 . 1 . . . . 71 ASN CB . 18776 1 607 . 1 1 71 71 ASN N N 15 117.147 0.032 . 1 . . . . 71 ASN N . 18776 1 608 . 1 1 72 72 GLY H H 1 8.826 0.012 . 1 . . . . 72 GLY H . 18776 1 609 . 1 1 72 72 GLY HA2 H 1 4.208 0.013 . 2 . . . . 72 GLY HA2 . 18776 1 610 . 1 1 72 72 GLY HA3 H 1 3.863 0.016 . 2 . . . . 72 GLY HA3 . 18776 1 611 . 1 1 72 72 GLY CA C 13 46.408 0.058 . 1 . . . . 72 GLY CA . 18776 1 612 . 1 1 72 72 GLY N N 15 117.416 0.006 . 1 . . . . 72 GLY N . 18776 1 613 . 1 1 73 73 LYS H H 1 7.824 0.008 . 1 . . . . 73 LYS H . 18776 1 614 . 1 1 73 73 LYS HA H 1 4.364 0.011 . 1 . . . . 73 LYS HA . 18776 1 615 . 1 1 73 73 LYS HB2 H 1 2.117 0.045 . 2 . . . . 73 LYS HB2 . 18776 1 616 . 1 1 73 73 LYS HB3 H 1 2.016 0.01 . 2 . . . . 73 LYS HB3 . 18776 1 617 . 1 1 73 73 LYS HG2 H 1 1.31 0.001 . 1 . . . . 73 LYS HG2 . 18776 1 618 . 1 1 73 73 LYS HD2 H 1 1.52 0.001 . 1 . . . . 73 LYS HD2 . 18776 1 619 . 1 1 73 73 LYS CA C 13 54.98 0.045 . 1 . . . . 73 LYS CA . 18776 1 620 . 1 1 73 73 LYS CB C 13 33.112 0.042 . 1 . . . . 73 LYS CB . 18776 1 621 . 1 1 73 73 LYS CG C 13 25.832 0.45 . 1 . . . . 73 LYS CG . 18776 1 622 . 1 1 73 73 LYS CD C 13 28.448 0.45 . 1 . . . . 73 LYS CD . 18776 1 623 . 1 1 73 73 LYS CE C 13 43.087 0.45 . 1 . . . . 73 LYS CE . 18776 1 624 . 1 1 73 73 LYS N N 15 121.748 0.03 . 1 . . . . 73 LYS N . 18776 1 625 . 1 1 74 74 GLU H H 1 8.048 0.008 . 1 . . . . 74 GLU H . 18776 1 626 . 1 1 74 74 GLU HA H 1 4.767 0.026 . 1 . . . . 74 GLU HA . 18776 1 627 . 1 1 74 74 GLU HB2 H 1 1.842 0.016 . 2 . . . . 74 GLU HB2 . 18776 1 628 . 1 1 74 74 GLU HG2 H 1 2.075 0.01 . 2 . . . . 74 GLU HG2 . 18776 1 629 . 1 1 74 74 GLU CA C 13 56.317 0.127 . 1 . . . . 74 GLU CA . 18776 1 630 . 1 1 74 74 GLU CB C 13 31.137 0.117 . 1 . . . . 74 GLU CB . 18776 1 631 . 1 1 74 74 GLU CG C 13 37.244 0.45 . 1 . . . . 74 GLU CG . 18776 1 632 . 1 1 74 74 GLU N N 15 119.424 0.014 . 1 . . . . 74 GLU N . 18776 1 633 . 1 1 75 75 LEU H H 1 8.983 0.013 . 1 . . . . 75 LEU H . 18776 1 634 . 1 1 75 75 LEU HA H 1 4.528 0.039 . 1 . . . . 75 LEU HA . 18776 1 635 . 1 1 75 75 LEU HB2 H 1 1.864 0.013 . 2 . . . . 75 LEU HB2 . 18776 1 636 . 1 1 75 75 LEU HB3 H 1 1.133 0.012 . 2 . . . . 75 LEU HB3 . 18776 1 637 . 1 1 75 75 LEU HG H 1 1.421 0.022 . 1 . . . . 75 LEU HG . 18776 1 638 . 1 1 75 75 LEU HD11 H 1 0.852 0.021 . 2 . . . . 75 LEU HD1 . 18776 1 639 . 1 1 75 75 LEU HD12 H 1 0.852 0.021 . 2 . . . . 75 LEU HD1 . 18776 1 640 . 1 1 75 75 LEU HD13 H 1 0.852 0.021 . 2 . . . . 75 LEU HD1 . 18776 1 641 . 1 1 75 75 LEU HD21 H 1 0.796 0.045 . 2 . . . . 75 LEU HD2 . 18776 1 642 . 1 1 75 75 LEU HD22 H 1 0.796 0.045 . 2 . . . . 75 LEU HD2 . 18776 1 643 . 1 1 75 75 LEU HD23 H 1 0.796 0.045 . 2 . . . . 75 LEU HD2 . 18776 1 644 . 1 1 75 75 LEU CA C 13 55.104 0.045 . 1 . . . . 75 LEU CA . 18776 1 645 . 1 1 75 75 LEU CB C 13 45.038 0.043 . 1 . . . . 75 LEU CB . 18776 1 646 . 1 1 75 75 LEU CG C 13 28.111 0.45 . 1 . . . . 75 LEU CG . 18776 1 647 . 1 1 75 75 LEU CD1 C 13 26.108 0.45 . 2 . . . . 75 LEU CD1 . 18776 1 648 . 1 1 75 75 LEU CD2 C 13 24.251 0.45 . 2 . . . . 75 LEU CD2 . 18776 1 649 . 1 1 75 75 LEU N N 15 127.376 0.002 . 1 . . . . 75 LEU N . 18776 1 650 . 1 1 76 76 ASP H H 1 9.556 0.015 . 1 . . . . 76 ASP H . 18776 1 651 . 1 1 76 76 ASP HA H 1 4.234 0.015 . 1 . . . . 76 ASP HA . 18776 1 652 . 1 1 76 76 ASP HB2 H 1 2.856 0.033 . 2 . . . . 76 ASP HB2 . 18776 1 653 . 1 1 76 76 ASP HB3 H 1 2.443 0.021 . 2 . . . . 76 ASP HB3 . 18776 1 654 . 1 1 76 76 ASP CA C 13 56.164 0.044 . 1 . . . . 76 ASP CA . 18776 1 655 . 1 1 76 76 ASP CB C 13 40.098 0.153 . 1 . . . . 76 ASP CB . 18776 1 656 . 1 1 76 76 ASP N N 15 128.631 0.015 . 1 . . . . 76 ASP N . 18776 1 657 . 1 1 77 77 GLY H H 1 8.63 0.009 . 1 . . . . 77 GLY H . 18776 1 658 . 1 1 77 77 GLY HA2 H 1 4.098 0.03 . 2 . . . . 77 GLY HA2 . 18776 1 659 . 1 1 77 77 GLY HA3 H 1 3.614 0.032 . 2 . . . . 77 GLY HA3 . 18776 1 660 . 1 1 77 77 GLY CA C 13 45.892 0.07 . 1 . . . . 77 GLY CA . 18776 1 661 . 1 1 77 77 GLY N N 15 102.092 0.032 . 1 . . . . 77 GLY N . 18776 1 662 . 1 1 78 78 ARG H H 1 7.478 0.004 . 1 . . . . 78 ARG H . 18776 1 663 . 1 1 78 78 ARG HA H 1 4.675 0.012 . 1 . . . . 78 ARG HA . 18776 1 664 . 1 1 78 78 ARG HB2 H 1 1.948 0.009 . 2 . . . . 78 ARG HB2 . 18776 1 665 . 1 1 78 78 ARG HB3 H 1 1.662 0.029 . 2 . . . . 78 ARG HB3 . 18776 1 666 . 1 1 78 78 ARG HG2 H 1 1.643 0.035 . 2 . . . . 78 ARG HG2 . 18776 1 667 . 1 1 78 78 ARG HG3 H 1 1.563 0.019 . 2 . . . . 78 ARG HG3 . 18776 1 668 . 1 1 78 78 ARG HD2 H 1 3.11 0.017 . 2 . . . . 78 ARG HD2 . 18776 1 669 . 1 1 78 78 ARG CA C 13 53.906 0.031 . 1 . . . . 78 ARG CA . 18776 1 670 . 1 1 78 78 ARG CB C 13 33.422 0.027 . 1 . . . . 78 ARG CB . 18776 1 671 . 1 1 78 78 ARG CG C 13 26.919 0.45 . 1 . . . . 78 ARG CG . 18776 1 672 . 1 1 78 78 ARG CD C 13 42.994 0.45 . 1 . . . . 78 ARG CD . 18776 1 673 . 1 1 78 78 ARG N N 15 119.712 0.027 . 1 . . . . 78 ARG N . 18776 1 674 . 1 1 79 79 SER H H 1 8.352 0.008 . 1 . . . . 79 SER H . 18776 1 675 . 1 1 79 79 SER HA H 1 4.554 0.031 . 1 . . . . 79 SER HA . 18776 1 676 . 1 1 79 79 SER HB2 H 1 2.768 0.016 . 2 . . . . 79 SER HB2 . 18776 1 677 . 1 1 79 79 SER HB3 H 1 2.584 0.005 . 2 . . . . 79 SER HB3 . 18776 1 678 . 1 1 79 79 SER CA C 13 58.17 0.076 . 1 . . . . 79 SER CA . 18776 1 679 . 1 1 79 79 SER CB C 13 63.354 0.092 . 1 . . . . 79 SER CB . 18776 1 680 . 1 1 79 79 SER N N 15 117.877 0.177 . 1 . . . . 79 SER N . 18776 1 681 . 1 1 80 80 ILE H H 1 8.252 0.011 . 1 . . . . 80 ILE H . 18776 1 682 . 1 1 80 80 ILE HA H 1 4.642 0.037 . 1 . . . . 80 ILE HA . 18776 1 683 . 1 1 80 80 ILE HB H 1 2.087 0.003 . 1 . . . . 80 ILE HB . 18776 1 684 . 1 1 80 80 ILE HG21 H 1 0.957 0.001 . 1 . . . . 80 ILE HG2 . 18776 1 685 . 1 1 80 80 ILE HG22 H 1 0.957 0.001 . 1 . . . . 80 ILE HG2 . 18776 1 686 . 1 1 80 80 ILE HG23 H 1 0.957 0.001 . 1 . . . . 80 ILE HG2 . 18776 1 687 . 1 1 80 80 ILE HG12 H 1 1.38 0.016 . 2 . . . . 80 ILE HG12 . 18776 1 688 . 1 1 80 80 ILE CA C 13 61.973 0.135 . 1 . . . . 80 ILE CA . 18776 1 689 . 1 1 80 80 ILE CB C 13 40.227 0.061 . 1 . . . . 80 ILE CB . 18776 1 690 . 1 1 80 80 ILE CG1 C 13 30.915 0.015 . 1 . . . . 80 ILE CG1 . 18776 1 691 . 1 1 80 80 ILE CG2 C 13 19.495 0.45 . 1 . . . . 80 ILE CG2 . 18776 1 692 . 1 1 80 80 ILE CD1 C 13 15.195 0.45 . 1 . . . . 80 ILE CD1 . 18776 1 693 . 1 1 80 80 ILE N N 15 121.931 0.035 . 1 . . . . 80 ILE N . 18776 1 694 . 1 1 81 81 VAL H H 1 8.068 0.011 . 1 . . . . 81 VAL H . 18776 1 695 . 1 1 81 81 VAL HA H 1 4.678 0.013 . 1 . . . . 81 VAL HA . 18776 1 696 . 1 1 81 81 VAL HB H 1 1.765 0.018 . 1 . . . . 81 VAL HB . 18776 1 697 . 1 1 81 81 VAL HG21 H 1 0.992 0.023 . 2 . . . . 81 VAL HG21 . 18776 1 698 . 1 1 81 81 VAL HG22 H 1 0.992 0.023 . 2 . . . . 81 VAL HG21 . 18776 1 699 . 1 1 81 81 VAL HG23 H 1 0.992 0.023 . 2 . . . . 81 VAL HG21 . 18776 1 700 . 1 1 81 81 VAL CA C 13 60.841 0.082 . 1 . . . . 81 VAL CA . 18776 1 701 . 1 1 81 81 VAL CB C 13 35.153 0.03 . 1 . . . . 81 VAL CB . 18776 1 702 . 1 1 81 81 VAL CG1 C 13 24.712 0.45 . 2 . . . . 81 VAL CG1 . 18776 1 703 . 1 1 81 81 VAL CG2 C 13 21.212 0.003 . 2 . . . . 81 VAL CG2 . 18776 1 704 . 1 1 81 81 VAL N N 15 121.497 0.068 . 1 . . . . 81 VAL N . 18776 1 705 . 1 1 82 82 VAL H H 1 8.656 0.01 . 1 . . . . 82 VAL H . 18776 1 706 . 1 1 82 82 VAL HA H 1 5.474 0.027 . 1 . . . . 82 VAL HA . 18776 1 707 . 1 1 82 82 VAL HB H 1 1.941 0.018 . 1 . . . . 82 VAL HB . 18776 1 708 . 1 1 82 82 VAL HG21 H 1 1.078 0.025 . 2 . . . . 82 VAL HG21 . 18776 1 709 . 1 1 82 82 VAL HG22 H 1 1.078 0.025 . 2 . . . . 82 VAL HG21 . 18776 1 710 . 1 1 82 82 VAL HG23 H 1 1.078 0.025 . 2 . . . . 82 VAL HG21 . 18776 1 711 . 1 1 82 82 VAL CA C 13 60.722 0.021 . 1 . . . . 82 VAL CA . 18776 1 712 . 1 1 82 82 VAL CB C 13 35.323 0.076 . 1 . . . . 82 VAL CB . 18776 1 713 . 1 1 82 82 VAL CG1 C 13 23.49 0.45 . 2 . . . . 82 VAL CG1 . 18776 1 714 . 1 1 82 82 VAL CG2 C 13 23.97 1.269 . 2 . . . . 82 VAL CG2 . 18776 1 715 . 1 1 82 82 VAL N N 15 124.516 0.014 . 1 . . . . 82 VAL N . 18776 1 716 . 1 1 83 83 ASN H H 1 8.981 0.011 . 1 . . . . 83 ASN H . 18776 1 717 . 1 1 83 83 ASN HA H 1 4.921 0.009 . 1 . . . . 83 ASN HA . 18776 1 718 . 1 1 83 83 ASN HB2 H 1 3.006 0.015 . 2 . . . . 83 ASN HB2 . 18776 1 719 . 1 1 83 83 ASN HB3 H 1 2.859 0.026 . 2 . . . . 83 ASN HB3 . 18776 1 720 . 1 1 83 83 ASN CA C 13 52.416 0.044 . 1 . . . . 83 ASN CA . 18776 1 721 . 1 1 83 83 ASN CB C 13 42.493 0.055 . 1 . . . . 83 ASN CB . 18776 1 722 . 1 1 83 83 ASN N N 15 120.981 0.032 . 1 . . . . 83 ASN N . 18776 1 723 . 1 1 84 84 GLU H H 1 9.223 0.014 . 1 . . . . 84 GLU H . 18776 1 724 . 1 1 84 84 GLU HA H 1 4.379 0.015 . 1 . . . . 84 GLU HA . 18776 1 725 . 1 1 84 84 GLU HB2 H 1 2.108 0.012 . 2 . . . . 84 GLU HB2 . 18776 1 726 . 1 1 84 84 GLU HG2 H 1 2.64 0.011 . 2 . . . . 84 GLU HG2 . 18776 1 727 . 1 1 84 84 GLU HG3 H 1 2.469 0.012 . 2 . . . . 84 GLU HG3 . 18776 1 728 . 1 1 84 84 GLU CA C 13 58.562 0.127 . 1 . . . . 84 GLU CA . 18776 1 729 . 1 1 84 84 GLU CB C 13 30.346 0.052 . 1 . . . . 84 GLU CB . 18776 1 730 . 1 1 84 84 GLU CG C 13 36.781 0.001 . 1 . . . . 84 GLU CG . 18776 1 731 . 1 1 84 84 GLU N N 15 122.499 0.012 . 1 . . . . 84 GLU N . 18776 1 732 . 1 1 85 85 ALA H H 1 8.802 0.015 . 1 . . . . 85 ALA H . 18776 1 733 . 1 1 85 85 ALA HA H 1 4.515 0.014 . 1 . . . . 85 ALA HA . 18776 1 734 . 1 1 85 85 ALA HB1 H 1 1.462 0.045 . 1 . . . . 85 ALA HB1 . 18776 1 735 . 1 1 85 85 ALA HB2 H 1 1.483 0.006 . 1 . . . . 85 ALA HB2 . 18776 1 736 . 1 1 85 85 ALA HB3 H 1 1.483 0.006 . 1 . . . . 85 ALA HB2 . 18776 1 737 . 1 1 85 85 ALA CA C 13 53.27 0.104 . 1 . . . . 85 ALA CA . 18776 1 738 . 1 1 85 85 ALA CB C 13 19.901 0.016 . 1 . . . . 85 ALA CB . 18776 1 739 . 1 1 85 85 ALA N N 15 128.423 0.019 . 1 . . . . 85 ALA N . 18776 1 740 . 1 1 86 86 GLN H H 1 8.763 0.013 . 1 . . . . 86 GLN H . 18776 1 741 . 1 1 86 86 GLN HA H 1 4.345 0.013 . 1 . . . . 86 GLN HA . 18776 1 742 . 1 1 86 86 GLN HB2 H 1 2.08 0.001 . 1 . . . . 86 GLN HB2 . 18776 1 743 . 1 1 86 86 GLN HG2 H 1 2.368 0.013 . 2 . . . . 86 GLN HG2 . 18776 1 744 . 1 1 86 86 GLN CA C 13 56.546 0.065 . 1 . . . . 86 GLN CA . 18776 1 745 . 1 1 86 86 GLN CB C 13 29.856 0.031 . 1 . . . . 86 GLN CB . 18776 1 746 . 1 1 86 86 GLN CG C 13 34.192 0.45 . 1 . . . . 86 GLN CG . 18776 1 747 . 1 1 86 86 GLN N N 15 120.43 0.031 . 1 . . . . 86 GLN N . 18776 1 748 . 1 1 87 87 SER H H 1 8.385 0.008 . 1 . . . . 87 SER H . 18776 1 749 . 1 1 87 87 SER HA H 1 4.425 0.028 . 1 . . . . 87 SER HA . 18776 1 750 . 1 1 87 87 SER HB2 H 1 3.845 0.025 . 2 . . . . 87 SER HB2 . 18776 1 751 . 1 1 87 87 SER CA C 13 58.891 0.147 . 1 . . . . 87 SER CA . 18776 1 752 . 1 1 87 87 SER CB C 13 63.966 0.063 . 1 . . . . 87 SER CB . 18776 1 753 . 1 1 87 87 SER N N 15 117.072 0.024 . 1 . . . . 87 SER N . 18776 1 754 . 1 1 88 88 ARG H H 1 8.284 0.011 . 1 . . . . 88 ARG H . 18776 1 755 . 1 1 88 88 ARG HA H 1 4.271 0.013 . 1 . . . . 88 ARG HA . 18776 1 756 . 1 1 88 88 ARG HB2 H 1 1.755 0.021 . 2 . . . . 88 ARG HB2 . 18776 1 757 . 1 1 88 88 ARG HG2 H 1 1.514 0.028 . 2 . . . . 88 ARG HG2 . 18776 1 758 . 1 1 88 88 ARG HD2 H 1 3.023 0.024 . 2 . . . . 88 ARG HD2 . 18776 1 759 . 1 1 88 88 ARG CA C 13 56.553 0.052 . 1 . . . . 88 ARG CA . 18776 1 760 . 1 1 88 88 ARG CB C 13 30.997 0.064 . 1 . . . . 88 ARG CB . 18776 1 761 . 1 1 88 88 ARG CG C 13 27.351 0.45 . 1 . . . . 88 ARG CG . 18776 1 762 . 1 1 88 88 ARG CD C 13 43.599 0.45 . 1 . . . . 88 ARG CD . 18776 1 763 . 1 1 88 88 ARG N N 15 122.122 0.114 . 1 . . . . 88 ARG N . 18776 1 764 . 1 1 89 89 GLY H H 1 8.256 0.012 . 1 . . . . 89 GLY H . 18776 1 765 . 1 1 89 89 GLY HA2 H 1 3.838 0.045 . 2 . . . . 89 GLY HA2 . 18776 1 766 . 1 1 89 89 GLY CA C 13 45.553 0.107 . 1 . . . . 89 GLY CA . 18776 1 767 . 1 1 89 89 GLY N N 15 109.203 0.029 . 1 . . . . 89 GLY N . 18776 1 768 . 1 1 90 90 TYR H H 1 8.066 0.012 . 1 . . . . 90 TYR H . 18776 1 769 . 1 1 90 90 TYR HA H 1 4.494 0.012 . 1 . . . . 90 TYR HA . 18776 1 770 . 1 1 90 90 TYR HB2 H 1 2.982 0.028 . 2 . . . . 90 TYR HB2 . 18776 1 771 . 1 1 90 90 TYR HD1 H 1 7.689 0 . 3 . . . . 90 TYR HD1 . 18776 1 772 . 1 1 90 90 TYR CA C 13 58.419 0.194 . 1 . . . . 90 TYR CA . 18776 1 773 . 1 1 90 90 TYR CB C 13 39.213 0.049 . 1 . . . . 90 TYR CB . 18776 1 774 . 1 1 90 90 TYR CD1 C 13 129.428 0 . 1 . . . . 90 TYR CD1 . 18776 1 775 . 1 1 90 90 TYR N N 15 119.429 0.019 . 1 . . . . 90 TYR N . 18776 1 776 . 1 1 91 91 GLY H H 1 8.349 0.01 . 1 . . . . 91 GLY H . 18776 1 777 . 1 1 91 91 GLY HA2 H 1 4.755 0.009 . 2 . . . . 91 GLY HA2 . 18776 1 778 . 1 1 91 91 GLY CA C 13 45.828 0.294 . 1 . . . . 91 GLY CA . 18776 1 779 . 1 1 91 91 GLY N N 15 111.579 0.03 . 1 . . . . 91 GLY N . 18776 1 780 . 1 1 92 92 GLY H H 1 7.571 0.011 . 1 . . . . 92 GLY H . 18776 1 781 . 1 1 92 92 GLY CA C 13 46.16 0.45 . 1 . . . . 92 GLY CA . 18776 1 782 . 1 1 92 92 GLY N N 15 115.937 0.397 . 1 . . . . 92 GLY N . 18776 1 stop_ save_