data_18121 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18121 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for CdnLNt from Myxoccoccus xanthus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-07 _Entry.Accession_date 2011-12-07 _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 'M. Angeles' Jimenez . . . 18121 2 S. Padmanabhan . . . 18121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 18121 '15N chemical shifts' 138 18121 '1H chemical shifts' 628 18121 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 . . 2013-03-25 2011-12-07 update BMRB 'update entry citation' 18121 1 . . 2012-03-09 2011-12-07 original author 'original release' 18121 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15977 'CdnL C-terminal domain 55-164 residues' 18121 BMRB 18151 'CdnL 1-164 residues' 18121 PDB 2LT4 'BMRB Entry Tracking System' 18121 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18121 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392343 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N assignments of CdnL, an essential protein in Myxococcus xanthus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 51 _Citation.Page_last 55 _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 Yasmina Mirassou . . . 18121 1 2 Montserrat Elias-Arnanz . . . 18121 1 3 S. Padmanabhan . . . 18121 1 4 'M. Angeles' Jimenez . . . 18121 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CarD_TRCF 18121 1 CdnL 18121 1 'Myxococcus xanthus' 18121 1 PF02559 18121 1 'RNA polymerase interacting domain' 18121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18121 _Assembly.ID 1 _Assembly.Name 'CdnL N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CdnLNt 1 $CdnL_N-terminal_domain A . yes native no no . . . 18121 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Interacts with the beta subunit of RNA polymerase.' 18121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CdnL_N-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode CdnL_N-terminal_domain _Entity.Entry_ID 18121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CdnL_N-terminal_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 ; AGHMQTSFKTGDKAVYPGQG VGEVMGIEHTEVAGQRQSFY VLRILENGMRIMIPINKVGS VGLREIISEED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'AGH is the N-terminal cloning tag' _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CdnLNt _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7776.9 _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 BMRB 18151 . CdnL . . . . . 98.59 167 98.57 98.57 2.72e-41 . . . . 18121 1 2 no PDB 2LT4 . "Cdnlnt From Myxoccoccus Xanthus" . . . . . 100.00 71 100.00 100.00 1.76e-42 . . . . 18121 1 3 no PDB 2LWJ . "Nmr Solution Structure Myxoccoccus Xanthus Cdnl" . . . . . 98.59 167 98.57 98.57 2.72e-41 . . . . 18121 1 4 no GB ABF89955 . "transcriptional regulator, CarD family [Myxococcus xanthus DK 1622]" . . . . . 95.77 164 100.00 100.00 4.03e-40 . . . . 18121 1 5 no GB ADO71151 . "Transcriptional regulator, CarD domain protein [Stigmatella aurantiaca DW4/3-1]" . . . . . 95.77 165 98.53 98.53 4.47e-39 . . . . 18121 1 6 no GB AEI66063 . "CarD family transcriptional regulator CdnL [Myxococcus fulvus HW-1]" . . . . . 95.77 164 100.00 100.00 4.44e-40 . . . . 18121 1 7 no GB AFE08291 . "CarD family transcriptional regulator CdnL [Corallococcus coralloides DSM 2259]" . . . . . 95.77 164 100.00 100.00 4.34e-40 . . . . 18121 1 8 no GB AGC44335 . "CarD family transcriptional regulator CdnL [Myxococcus stipitatus DSM 14675]" . . . . . 95.77 164 100.00 100.00 4.79e-40 . . . . 18121 1 9 no REF WP_002617724 . "CarD family transcriptional regulator [Stigmatella aurantiaca]" . . . . . 95.77 165 98.53 98.53 4.47e-39 . . . . 18121 1 10 no REF WP_002625147 . "hypothetical protein [Cystobacter fuscus]" . . . . . 95.77 164 100.00 100.00 4.20e-40 . . . . 18121 1 11 no REF WP_002639129 . "CarD family transcriptional regulator [Myxococcus sp. (contaminant ex DSM 436)]" . . . . . 95.77 164 100.00 100.00 4.89e-40 . . . . 18121 1 12 no REF WP_011552697 . "CarD family transcriptional regulator [Myxococcus xanthus]" . . . . . 95.77 164 100.00 100.00 4.03e-40 . . . . 18121 1 13 no REF WP_013939202 . "MULTISPECIES: CarD family transcriptional regulator [Cystobacterineae]" . . . . . 95.77 164 100.00 100.00 4.44e-40 . . . . 18121 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA polymerase interacting domain of CdnL' 18121 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 . ALA . 18121 1 2 . GLY . 18121 1 3 . HIS . 18121 1 4 . MET . 18121 1 5 . GLN . 18121 1 6 . THR . 18121 1 7 . SER . 18121 1 8 . PHE . 18121 1 9 . LYS . 18121 1 10 . THR . 18121 1 11 . GLY . 18121 1 12 . ASP . 18121 1 13 . LYS . 18121 1 14 . ALA . 18121 1 15 . VAL . 18121 1 16 . TYR . 18121 1 17 . PRO . 18121 1 18 . GLY . 18121 1 19 . GLN . 18121 1 20 . GLY . 18121 1 21 . VAL . 18121 1 22 . GLY . 18121 1 23 . GLU . 18121 1 24 . VAL . 18121 1 25 . MET . 18121 1 26 . GLY . 18121 1 27 . ILE . 18121 1 28 . GLU . 18121 1 29 . HIS . 18121 1 30 . THR . 18121 1 31 . GLU . 18121 1 32 . VAL . 18121 1 33 . ALA . 18121 1 34 . GLY . 18121 1 35 . GLN . 18121 1 36 . ARG . 18121 1 37 . GLN . 18121 1 38 . SER . 18121 1 39 . PHE . 18121 1 40 . TYR . 18121 1 41 . VAL . 18121 1 42 . LEU . 18121 1 43 . ARG . 18121 1 44 . ILE . 18121 1 45 . LEU . 18121 1 46 . GLU . 18121 1 47 . ASN . 18121 1 48 . GLY . 18121 1 49 . MET . 18121 1 50 . ARG . 18121 1 51 . ILE . 18121 1 52 . MET . 18121 1 53 . ILE . 18121 1 54 . PRO . 18121 1 55 . ILE . 18121 1 56 . ASN . 18121 1 57 . LYS . 18121 1 58 . VAL . 18121 1 59 . GLY . 18121 1 60 . SER . 18121 1 61 . VAL . 18121 1 62 . GLY . 18121 1 63 . LEU . 18121 1 64 . ARG . 18121 1 65 . GLU . 18121 1 66 . ILE . 18121 1 67 . ILE . 18121 1 68 . SER . 18121 1 69 . GLU . 18121 1 70 . GLU . 18121 1 71 . ASP . 18121 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 . ALA 1 1 18121 1 . GLY 2 2 18121 1 . HIS 3 3 18121 1 . MET 4 4 18121 1 . GLN 5 5 18121 1 . THR 6 6 18121 1 . SER 7 7 18121 1 . PHE 8 8 18121 1 . LYS 9 9 18121 1 . THR 10 10 18121 1 . GLY 11 11 18121 1 . ASP 12 12 18121 1 . LYS 13 13 18121 1 . ALA 14 14 18121 1 . VAL 15 15 18121 1 . TYR 16 16 18121 1 . PRO 17 17 18121 1 . GLY 18 18 18121 1 . GLN 19 19 18121 1 . GLY 20 20 18121 1 . VAL 21 21 18121 1 . GLY 22 22 18121 1 . GLU 23 23 18121 1 . VAL 24 24 18121 1 . MET 25 25 18121 1 . GLY 26 26 18121 1 . ILE 27 27 18121 1 . GLU 28 28 18121 1 . HIS 29 29 18121 1 . THR 30 30 18121 1 . GLU 31 31 18121 1 . VAL 32 32 18121 1 . ALA 33 33 18121 1 . GLY 34 34 18121 1 . GLN 35 35 18121 1 . ARG 36 36 18121 1 . GLN 37 37 18121 1 . SER 38 38 18121 1 . PHE 39 39 18121 1 . TYR 40 40 18121 1 . VAL 41 41 18121 1 . LEU 42 42 18121 1 . ARG 43 43 18121 1 . ILE 44 44 18121 1 . LEU 45 45 18121 1 . GLU 46 46 18121 1 . ASN 47 47 18121 1 . GLY 48 48 18121 1 . MET 49 49 18121 1 . ARG 50 50 18121 1 . ILE 51 51 18121 1 . MET 52 52 18121 1 . ILE 53 53 18121 1 . PRO 54 54 18121 1 . ILE 55 55 18121 1 . ASN 56 56 18121 1 . LYS 57 57 18121 1 . VAL 58 58 18121 1 . GLY 59 59 18121 1 . SER 60 60 18121 1 . VAL 61 61 18121 1 . GLY 62 62 18121 1 . LEU 63 63 18121 1 . ARG 64 64 18121 1 . GLU 65 65 18121 1 . ILE 66 66 18121 1 . ILE 67 67 18121 1 . SER 68 68 18121 1 . GLU 69 69 18121 1 . GLU 70 70 18121 1 . ASP 71 71 18121 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 18121 _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 $CdnL_N-terminal_domain . 34 organism . 'Myxoccoccus xanthus' 'Myxoccoccus xanthus' . . Bacteria . Myxoccoccus xanthus . . . . . . . . . . . . . . . . cdnL . . . . 18121 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 18121 _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 $CdnL_N-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTYB12 . . . . . . 18121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18121 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CdnL N-terminal domain' 'natural abundance' . . 1 $CdnL_N-terminal_domain . . 1 . . mM . . . . 18121 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18121 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18121 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18121 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18121 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18121 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CdnL N-terminal domain' 'natural abundance' . . 1 $CdnL_N-terminal_domain . . 1 . . mM . . . . 18121 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18121 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18121 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18121 2 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18121 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18121 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CdnL N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $CdnL_N-terminal_domain . . 1 . . mM . . . . 18121 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18121 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18121 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18121 3 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18121 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18121 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CdnL N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $CdnL_N-terminal_domain . . 1 . . mM . . . . 18121 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18121 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18121 4 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18121 4 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18121 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18121 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CdnL N-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $CdnL_N-terminal_domain . . 0.5 . . mM . . . . 18121 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18121 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18121 5 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18121 5 5 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 18121 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18121 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 18121 1 pH 7.0 0.1 pH 18121 1 pressure 1 . atm 18121 1 temperature 298 0.1 K 18121 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18121 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 18121 2 pH 7.0 0.1 pH 18121 2 pressure 1 . atm 18121 2 temperature 288 0.1 K 18121 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18121 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18121 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18121 1 processing 18121 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18121 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18121 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18121 2 'peak picking' 18121 2 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 18121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18121 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18121 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18121 1 2 spectrometer_2 Bruker Avance . 600 . . . 18121 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 18121 _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-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 10 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 17 '3D HNCA' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 18 '3D CBCA(CO)NH' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 19 '3D HBHA(CO)NH' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 21 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 22 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 23 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 24 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 25 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18121 1 26 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18121 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18121 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18121 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18121 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18121 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 18121 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '1H, 13C and 15N chemical shifts at 25 C' _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 2 '2D 1H-1H TOCSY' . . . 18121 1 3 '2D 1H-1H NOESY' . . . 18121 1 5 '2D 1H-1H TOCSY' . . . 18121 1 6 '2D 1H-1H NOESY' . . . 18121 1 7 '2D 1H-15N HSQC' . . . 18121 1 8 '3D HNCO' . . . 18121 1 9 '3D HNCA' . . . 18121 1 10 '3D HNCACB' . . . 18121 1 11 '3D CBCA(CO)NH' . . . 18121 1 12 '3D HBHA(CO)NH' . . . 18121 1 13 '2D 1H-13C HSQC aliphatic' . . . 18121 1 14 '3D HCCH-TOCSY' . . . 18121 1 15 '3D 1H-13C NOESY aliphatic' . . . 18121 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 ALA HA H 1 4.067 0.01 . 1 . . . . 1 ALA HA . 18121 1 2 . 1 1 1 1 ALA HB1 H 1 1.507 0.01 . 1 . . . . 1 ALA QB . 18121 1 3 . 1 1 1 1 ALA HB2 H 1 1.507 0.01 . 1 . . . . 1 ALA QB . 18121 1 4 . 1 1 1 1 ALA HB3 H 1 1.507 0.01 . 1 . . . . 1 ALA QB . 18121 1 5 . 1 1 1 1 ALA CA C 13 51.840 0.1 . 1 . . . . 1 ALA CA . 18121 1 6 . 1 1 1 1 ALA CB C 13 19.600 0.1 . 1 . . . . 1 ALA CB . 18121 1 7 . 1 1 3 3 HIS HA H 1 4.648 0.01 . 1 . . . . 3 HIS HA . 18121 1 8 . 1 1 3 3 HIS HB2 H 1 3.086 0.01 . 2 . . . . 3 HIS HB2 . 18121 1 9 . 1 1 3 3 HIS HB3 H 1 3.123 0.01 . 2 . . . . 3 HIS HB3 . 18121 1 10 . 1 1 3 3 HIS HD2 H 1 7.002 0.01 . 1 . . . . 3 HIS HD2 . 18121 1 11 . 1 1 3 3 HIS HE1 H 1 7.786 0.01 . 1 . . . . 3 HIS HE1 . 18121 1 12 . 1 1 3 3 HIS C C 13 175.379 0.1 . 1 . . . . 3 HIS C . 18121 1 13 . 1 1 3 3 HIS CA C 13 56.307 0.1 . 1 . . . . 3 HIS CA . 18121 1 14 . 1 1 3 3 HIS CB C 13 30.978 0.1 . 1 . . . . 3 HIS CB . 18121 1 15 . 1 1 4 4 MET H H 1 8.393 0.01 . 1 . . . . 4 MET H . 18121 1 16 . 1 1 4 4 MET HA H 1 4.464 0.01 . 1 . . . . 4 MET HA . 18121 1 17 . 1 1 4 4 MET HB2 H 1 1.986 0.01 . 2 . . . . 4 MET HB2 . 18121 1 18 . 1 1 4 4 MET HB3 H 1 2.059 0.01 . 2 . . . . 4 MET HB3 . 18121 1 19 . 1 1 4 4 MET HG2 H 1 2.447 0.01 . 2 . . . . 4 MET HG2 . 18121 1 20 . 1 1 4 4 MET HG3 H 1 2.519 0.01 . 2 . . . . 4 MET HG3 . 18121 1 21 . 1 1 4 4 MET HE1 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18121 1 22 . 1 1 4 4 MET HE2 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18121 1 23 . 1 1 4 4 MET HE3 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18121 1 24 . 1 1 4 4 MET C C 13 175.816 0.1 . 1 . . . . 4 MET C . 18121 1 25 . 1 1 4 4 MET CA C 13 55.377 0.1 . 1 . . . . 4 MET CA . 18121 1 26 . 1 1 4 4 MET CB C 13 32.961 0.1 . 1 . . . . 4 MET CB . 18121 1 27 . 1 1 4 4 MET CG C 13 31.856 0.1 . 1 . . . . 4 MET CG . 18121 1 28 . 1 1 4 4 MET CE C 13 16.942 0.1 . 1 . . . . 4 MET CE . 18121 1 29 . 1 1 4 4 MET N N 15 121.987 0.1 . 1 . . . . 4 MET N . 18121 1 30 . 1 1 5 5 GLN H H 1 8.518 0.01 . 1 . . . . 5 GLN H . 18121 1 31 . 1 1 5 5 GLN HA H 1 4.390 0.01 . 1 . . . . 5 GLN HA . 18121 1 32 . 1 1 5 5 GLN HB2 H 1 1.997 0.01 . 2 . . . . 5 GLN HB2 . 18121 1 33 . 1 1 5 5 GLN HB3 H 1 2.083 0.01 . 2 . . . . 5 GLN HB3 . 18121 1 34 . 1 1 5 5 GLN HG2 H 1 2.310 0.01 . 2 . . . . 5 GLN QG . 18121 1 35 . 1 1 5 5 GLN HG3 H 1 2.310 0.01 . 2 . . . . 5 GLN QG . 18121 1 36 . 1 1 5 5 GLN HE21 H 1 6.875 0.01 . 2 . . . . 5 GLN HE21 . 18121 1 37 . 1 1 5 5 GLN HE22 H 1 7.498 0.01 . 2 . . . . 5 GLN HE22 . 18121 1 38 . 1 1 5 5 GLN C C 13 175.809 0.1 . 1 . . . . 5 GLN C . 18121 1 39 . 1 1 5 5 GLN CA C 13 55.852 0.1 . 1 . . . . 5 GLN CA . 18121 1 40 . 1 1 5 5 GLN CB C 13 29.508 0.1 . 1 . . . . 5 GLN CB . 18121 1 41 . 1 1 5 5 GLN CG C 13 33.611 0.1 . 1 . . . . 5 GLN CG . 18121 1 42 . 1 1 5 5 GLN CD C 13 180.399 0.1 . 1 . . . . 5 GLN CD . 18121 1 43 . 1 1 5 5 GLN N N 15 122.534 0.1 . 1 . . . . 5 GLN N . 18121 1 44 . 1 1 5 5 GLN NE2 N 15 112.270 0.1 . 1 . . . . 5 GLN NE2 . 18121 1 45 . 1 1 6 6 THR H H 1 8.213 0.01 . 1 . . . . 6 THR H . 18121 1 46 . 1 1 6 6 THR HA H 1 4.307 0.01 . 1 . . . . 6 THR HA . 18121 1 47 . 1 1 6 6 THR HB H 1 4.174 0.01 . 1 . . . . 6 THR HB . 18121 1 48 . 1 1 6 6 THR HG21 H 1 1.033 0.01 . 1 . . . . 6 THR QG2 . 18121 1 49 . 1 1 6 6 THR HG22 H 1 1.033 0.01 . 1 . . . . 6 THR QG2 . 18121 1 50 . 1 1 6 6 THR HG23 H 1 1.033 0.01 . 1 . . . . 6 THR QG2 . 18121 1 51 . 1 1 6 6 THR C C 13 173.984 0.1 . 1 . . . . 6 THR C . 18121 1 52 . 1 1 6 6 THR CA C 13 61.740 0.1 . 1 . . . . 6 THR CA . 18121 1 53 . 1 1 6 6 THR CB C 13 69.765 0.1 . 1 . . . . 6 THR CB . 18121 1 54 . 1 1 6 6 THR CG2 C 13 21.615 0.1 . 1 . . . . 6 THR CG2 . 18121 1 55 . 1 1 6 6 THR N N 15 115.975 0.1 . 1 . . . . 6 THR N . 18121 1 56 . 1 1 7 7 SER H H 1 8.079 0.01 . 1 . . . . 7 SER H . 18121 1 57 . 1 1 7 7 SER HA H 1 4.469 0.01 . 1 . . . . 7 SER HA . 18121 1 58 . 1 1 7 7 SER HB2 H 1 3.764 0.01 . 2 . . . . 7 SER QB . 18121 1 59 . 1 1 7 7 SER HB3 H 1 3.764 0.01 . 2 . . . . 7 SER QB . 18121 1 60 . 1 1 7 7 SER C C 13 172.919 0.1 . 1 . . . . 7 SER C . 18121 1 61 . 1 1 7 7 SER CA C 13 57.955 0.1 . 1 . . . . 7 SER CA . 18121 1 62 . 1 1 7 7 SER CB C 13 64.096 0.1 . 1 . . . . 7 SER CB . 18121 1 63 . 1 1 7 7 SER N N 15 118.179 0.1 . 1 . . . . 7 SER N . 18121 1 64 . 1 1 8 8 PHE H H 1 7.617 0.01 . 1 . . . . 8 PHE H . 18121 1 65 . 1 1 8 8 PHE HA H 1 4.759 0.01 . 1 . . . . 8 PHE HA . 18121 1 66 . 1 1 8 8 PHE HB2 H 1 2.173 0.01 . 2 . . . . 8 PHE HB2 . 18121 1 67 . 1 1 8 8 PHE HB3 H 1 2.846 0.01 . 2 . . . . 8 PHE HB3 . 18121 1 68 . 1 1 8 8 PHE HD1 H 1 6.888 0.01 . 3 . . . . 8 PHE QD . 18121 1 69 . 1 1 8 8 PHE HD2 H 1 6.888 0.01 . 3 . . . . 8 PHE QD . 18121 1 70 . 1 1 8 8 PHE HE1 H 1 7.028 0.01 . 3 . . . . 8 PHE QE . 18121 1 71 . 1 1 8 8 PHE HE2 H 1 7.028 0.01 . 3 . . . . 8 PHE QE . 18121 1 72 . 1 1 8 8 PHE C C 13 174.477 0.1 . 1 . . . . 8 PHE C . 18121 1 73 . 1 1 8 8 PHE CA C 13 57.398 0.1 . 1 . . . . 8 PHE CA . 18121 1 74 . 1 1 8 8 PHE CB C 13 41.922 0.1 . 1 . . . . 8 PHE CB . 18121 1 75 . 1 1 8 8 PHE N N 15 119.651 0.1 . 1 . . . . 8 PHE N . 18121 1 76 . 1 1 9 9 LYS H H 1 9.090 0.01 . 1 . . . . 9 LYS H . 18121 1 77 . 1 1 9 9 LYS HA H 1 4.714 0.01 . 1 . . . . 9 LYS HA . 18121 1 78 . 1 1 9 9 LYS HB2 H 1 1.823 0.01 . 2 . . . . 9 LYS HB2 . 18121 1 79 . 1 1 9 9 LYS HB3 H 1 1.865 0.01 . 2 . . . . 9 LYS HB3 . 18121 1 80 . 1 1 9 9 LYS HG2 H 1 1.370 0.01 . 2 . . . . 9 LYS HG2 . 18121 1 81 . 1 1 9 9 LYS HG3 H 1 1.573 0.01 . 2 . . . . 9 LYS HG3 . 18121 1 82 . 1 1 9 9 LYS HD2 H 1 1.716 0.01 . 2 . . . . 9 LYS QD . 18121 1 83 . 1 1 9 9 LYS HD3 H 1 1.716 0.01 . 2 . . . . 9 LYS QD . 18121 1 84 . 1 1 9 9 LYS HE2 H 1 3.071 0.01 . 2 . . . . 9 LYS QE . 18121 1 85 . 1 1 9 9 LYS HE3 H 1 3.071 0.01 . 2 . . . . 9 LYS QE . 18121 1 86 . 1 1 9 9 LYS C C 13 175.717 0.1 . 1 . . . . 9 LYS C . 18121 1 87 . 1 1 9 9 LYS CA C 13 54.071 0.1 . 1 . . . . 9 LYS CA . 18121 1 88 . 1 1 9 9 LYS CB C 13 35.234 0.1 . 1 . . . . 9 LYS CB . 18121 1 89 . 1 1 9 9 LYS CG C 13 23.608 0.1 . 1 . . . . 9 LYS CG . 18121 1 90 . 1 1 9 9 LYS CD C 13 28.913 0.1 . 1 . . . . 9 LYS CD . 18121 1 91 . 1 1 9 9 LYS CE C 13 41.960 0.1 . 1 . . . . 9 LYS CE . 18121 1 92 . 1 1 9 9 LYS N N 15 121.327 0.1 . 1 . . . . 9 LYS N . 18121 1 93 . 1 1 10 10 THR H H 1 8.353 0.01 . 1 . . . . 10 THR H . 18121 1 94 . 1 1 10 10 THR HA H 1 3.658 0.01 . 1 . . . . 10 THR HA . 18121 1 95 . 1 1 10 10 THR HB H 1 3.996 0.01 . 1 . . . . 10 THR HB . 18121 1 96 . 1 1 10 10 THR HG21 H 1 1.222 0.01 . 1 . . . . 10 THR QG2 . 18121 1 97 . 1 1 10 10 THR HG22 H 1 1.222 0.01 . 1 . . . . 10 THR QG2 . 18121 1 98 . 1 1 10 10 THR HG23 H 1 1.222 0.01 . 1 . . . . 10 THR QG2 . 18121 1 99 . 1 1 10 10 THR CA C 13 65.409 0.1 . 1 . . . . 10 THR CA . 18121 1 100 . 1 1 10 10 THR CB C 13 68.545 0.1 . 1 . . . . 10 THR CB . 18121 1 101 . 1 1 10 10 THR CG2 C 13 22.103 0.1 . 1 . . . . 10 THR CG2 . 18121 1 102 . 1 1 10 10 THR N N 15 116.728 0.1 . 1 . . . . 10 THR N . 18121 1 103 . 1 1 11 11 GLY H H 1 9.398 0.01 . 1 . . . . 11 GLY H . 18121 1 104 . 1 1 11 11 GLY HA2 H 1 3.878 0.01 . 2 . . . . 11 GLY HA2 . 18121 1 105 . 1 1 11 11 GLY HA3 H 1 4.507 0.01 . 2 . . . . 11 GLY HA3 . 18121 1 106 . 1 1 11 11 GLY C C 13 174.855 0.1 . 1 . . . . 11 GLY C . 18121 1 107 . 1 1 11 11 GLY CA C 13 44.771 0.1 . 1 . . . . 11 GLY CA . 18121 1 108 . 1 1 11 11 GLY N N 15 117.215 0.1 . 1 . . . . 11 GLY N . 18121 1 109 . 1 1 12 12 ASP H H 1 8.252 0.01 . 1 . . . . 12 ASP H . 18121 1 110 . 1 1 12 12 ASP HA H 1 4.687 0.01 . 1 . . . . 12 ASP HA . 18121 1 111 . 1 1 12 12 ASP HB2 H 1 2.851 0.01 . 2 . . . . 12 ASP HB2 . 18121 1 112 . 1 1 12 12 ASP HB3 H 1 2.962 0.01 . 2 . . . . 12 ASP HB3 . 18121 1 113 . 1 1 12 12 ASP C C 13 175.345 0.1 . 1 . . . . 12 ASP C . 18121 1 114 . 1 1 12 12 ASP CA C 13 55.283 0.1 . 1 . . . . 12 ASP CA . 18121 1 115 . 1 1 12 12 ASP CB C 13 41.723 0.1 . 1 . . . . 12 ASP CB . 18121 1 116 . 1 1 12 12 ASP N N 15 122.005 0.1 . 1 . . . . 12 ASP N . 18121 1 117 . 1 1 13 13 LYS H H 1 8.509 0.01 . 1 . . . . 13 LYS H . 18121 1 118 . 1 1 13 13 LYS HA H 1 5.435 0.01 . 1 . . . . 13 LYS HA . 18121 1 119 . 1 1 13 13 LYS HB2 H 1 1.651 0.01 . 2 . . . . 13 LYS HB2 . 18121 1 120 . 1 1 13 13 LYS HB3 H 1 1.802 0.01 . 2 . . . . 13 LYS HB3 . 18121 1 121 . 1 1 13 13 LYS HG2 H 1 1.394 0.01 . 2 . . . . 13 LYS HG2 . 18121 1 122 . 1 1 13 13 LYS HG3 H 1 1.630 0.01 . 2 . . . . 13 LYS HG3 . 18121 1 123 . 1 1 13 13 LYS HD2 H 1 1.630 0.01 . 2 . . . . 13 LYS QD . 18121 1 124 . 1 1 13 13 LYS HD3 H 1 1.630 0.01 . 2 . . . . 13 LYS QD . 18121 1 125 . 1 1 13 13 LYS HE2 H 1 2.952 0.01 . 2 . . . . 13 LYS HE2 . 18121 1 126 . 1 1 13 13 LYS HE3 H 1 2.991 0.01 . 2 . . . . 13 LYS HE3 . 18121 1 127 . 1 1 13 13 LYS C C 13 175.681 0.1 . 1 . . . . 13 LYS C . 18121 1 128 . 1 1 13 13 LYS CA C 13 54.568 0.1 . 1 . . . . 13 LYS CA . 18121 1 129 . 1 1 13 13 LYS CB C 13 34.903 0.1 . 1 . . . . 13 LYS CB . 18121 1 130 . 1 1 13 13 LYS CG C 13 25.854 0.1 . 1 . . . . 13 LYS CG . 18121 1 131 . 1 1 13 13 LYS CD C 13 28.919 0.1 . 1 . . . . 13 LYS CD . 18121 1 132 . 1 1 13 13 LYS CE C 13 42.041 0.1 . 1 . . . . 13 LYS CE . 18121 1 133 . 1 1 13 13 LYS N N 15 118.600 0.1 . 1 . . . . 13 LYS N . 18121 1 134 . 1 1 14 14 ALA H H 1 8.748 0.01 . 1 . . . . 14 ALA H . 18121 1 135 . 1 1 14 14 ALA HA H 1 4.784 0.01 . 1 . . . . 14 ALA HA . 18121 1 136 . 1 1 14 14 ALA HB1 H 1 0.820 0.01 . 1 . . . . 14 ALA QB . 18121 1 137 . 1 1 14 14 ALA HB2 H 1 0.820 0.01 . 1 . . . . 14 ALA QB . 18121 1 138 . 1 1 14 14 ALA HB3 H 1 0.820 0.01 . 1 . . . . 14 ALA QB . 18121 1 139 . 1 1 14 14 ALA C C 13 175.135 0.1 . 1 . . . . 14 ALA C . 18121 1 140 . 1 1 14 14 ALA CA C 13 50.927 0.1 . 1 . . . . 14 ALA CA . 18121 1 141 . 1 1 14 14 ALA CB C 13 23.331 0.1 . 1 . . . . 14 ALA CB . 18121 1 142 . 1 1 14 14 ALA N N 15 122.074 0.1 . 1 . . . . 14 ALA N . 18121 1 143 . 1 1 15 15 VAL H H 1 8.972 0.01 . 1 . . . . 15 VAL H . 18121 1 144 . 1 1 15 15 VAL HA H 1 4.239 0.01 . 1 . . . . 15 VAL HA . 18121 1 145 . 1 1 15 15 VAL HB H 1 1.862 0.01 . 1 . . . . 15 VAL HB . 18121 1 146 . 1 1 15 15 VAL HG11 H 1 0.766 0.01 . 2 . . . . 15 VAL QG1 . 18121 1 147 . 1 1 15 15 VAL HG12 H 1 0.766 0.01 . 2 . . . . 15 VAL QG1 . 18121 1 148 . 1 1 15 15 VAL HG13 H 1 0.766 0.01 . 2 . . . . 15 VAL QG1 . 18121 1 149 . 1 1 15 15 VAL HG21 H 1 0.902 0.01 . 2 . . . . 15 VAL QG2 . 18121 1 150 . 1 1 15 15 VAL HG22 H 1 0.902 0.01 . 2 . . . . 15 VAL QG2 . 18121 1 151 . 1 1 15 15 VAL HG23 H 1 0.902 0.01 . 2 . . . . 15 VAL QG2 . 18121 1 152 . 1 1 15 15 VAL C C 13 174.714 0.1 . 1 . . . . 15 VAL C . 18121 1 153 . 1 1 15 15 VAL CA C 13 61.670 0.1 . 1 . . . . 15 VAL CA . 18121 1 154 . 1 1 15 15 VAL CB C 13 33.602 0.1 . 1 . . . . 15 VAL CB . 18121 1 155 . 1 1 15 15 VAL CG1 C 13 20.807 0.1 . 2 . . . . 15 VAL CG1 . 18121 1 156 . 1 1 15 15 VAL CG2 C 13 21.920 0.1 . 2 . . . . 15 VAL CG2 . 18121 1 157 . 1 1 15 15 VAL N N 15 119.565 0.1 . 1 . . . . 15 VAL N . 18121 1 158 . 1 1 16 16 TYR H H 1 8.564 0.01 . 1 . . . . 16 TYR H . 18121 1 159 . 1 1 16 16 TYR HA H 1 4.918 0.01 . 1 . . . . 16 TYR HA . 18121 1 160 . 1 1 16 16 TYR HB2 H 1 2.398 0.01 . 2 . . . . 16 TYR HB2 . 18121 1 161 . 1 1 16 16 TYR HB3 H 1 3.060 0.01 . 2 . . . . 16 TYR HB3 . 18121 1 162 . 1 1 16 16 TYR HD1 H 1 6.775 0.01 . 3 . . . . 16 TYR QD . 18121 1 163 . 1 1 16 16 TYR HD2 H 1 6.775 0.01 . 3 . . . . 16 TYR QD . 18121 1 164 . 1 1 16 16 TYR HE1 H 1 6.773 0.01 . 3 . . . . 16 TYR QE . 18121 1 165 . 1 1 16 16 TYR HE2 H 1 6.773 0.01 . 3 . . . . 16 TYR QE . 18121 1 166 . 1 1 16 16 TYR CA C 13 53.934 0.1 . 1 . . . . 16 TYR CA . 18121 1 167 . 1 1 16 16 TYR CB C 13 39.930 0.1 . 1 . . . . 16 TYR CB . 18121 1 168 . 1 1 16 16 TYR CD1 C 13 132.404 0.1 . 3 . . . . 16 TYR CD1 . 18121 1 169 . 1 1 16 16 TYR CE1 C 13 118.446 0.1 . 3 . . . . 16 TYR CE1 . 18121 1 170 . 1 1 16 16 TYR N N 15 130.232 0.1 . 1 . . . . 16 TYR N . 18121 1 171 . 1 1 17 17 PRO HA H 1 4.180 0.01 . 1 . . . . 17 PRO HA . 18121 1 172 . 1 1 17 17 PRO HB2 H 1 1.863 0.01 . 2 . . . . 17 PRO HB2 . 18121 1 173 . 1 1 17 17 PRO HB3 H 1 2.223 0.01 . 2 . . . . 17 PRO HB3 . 18121 1 174 . 1 1 17 17 PRO HG2 H 1 1.845 0.01 . 2 . . . . 17 PRO HG2 . 18121 1 175 . 1 1 17 17 PRO HG3 H 1 2.033 0.01 . 2 . . . . 17 PRO HG3 . 18121 1 176 . 1 1 17 17 PRO HD2 H 1 2.824 0.01 . 2 . . . . 17 PRO HD2 . 18121 1 177 . 1 1 17 17 PRO HD3 H 1 3.791 0.01 . 2 . . . . 17 PRO HD3 . 18121 1 178 . 1 1 17 17 PRO CA C 13 64.600 0.1 . 1 . . . . 17 PRO CA . 18121 1 179 . 1 1 17 17 PRO CB C 13 31.756 0.1 . 1 . . . . 17 PRO CB . 18121 1 180 . 1 1 17 17 PRO CG C 13 27.772 0.1 . 1 . . . . 17 PRO CG . 18121 1 181 . 1 1 17 17 PRO CD C 13 51.378 0.1 . 1 . . . . 17 PRO CD . 18121 1 182 . 1 1 18 18 GLY H H 1 7.963 0.01 . 1 . . . . 18 GLY H . 18121 1 183 . 1 1 18 18 GLY HA2 H 1 3.685 0.01 . 2 . . . . 18 GLY HA2 . 18121 1 184 . 1 1 18 18 GLY HA3 H 1 4.339 0.01 . 2 . . . . 18 GLY HA3 . 18121 1 185 . 1 1 18 18 GLY C C 13 174.377 0.1 . 1 . . . . 18 GLY C . 18121 1 186 . 1 1 18 18 GLY CA C 13 45.399 0.1 . 1 . . . . 18 GLY CA . 18121 1 187 . 1 1 18 18 GLY N N 15 109.092 0.1 . 1 . . . . 18 GLY N . 18121 1 188 . 1 1 19 19 GLN H H 1 8.241 0.01 . 1 . . . . 19 GLN H . 18121 1 189 . 1 1 19 19 GLN HA H 1 4.417 0.01 . 1 . . . . 19 GLN HA . 18121 1 190 . 1 1 19 19 GLN HB2 H 1 1.948 0.01 . 2 . . . . 19 GLN HB2 . 18121 1 191 . 1 1 19 19 GLN HB3 H 1 2.036 0.01 . 2 . . . . 19 GLN HB3 . 18121 1 192 . 1 1 19 19 GLN HG2 H 1 2.260 0.01 . 2 . . . . 19 GLN QG . 18121 1 193 . 1 1 19 19 GLN HG3 H 1 2.260 0.01 . 2 . . . . 19 GLN QG . 18121 1 194 . 1 1 19 19 GLN HE21 H 1 6.584 0.01 . 2 . . . . 19 GLN HE21 . 18121 1 195 . 1 1 19 19 GLN HE22 H 1 7.333 0.01 . 2 . . . . 19 GLN HE22 . 18121 1 196 . 1 1 19 19 GLN C C 13 175.578 0.1 . 1 . . . . 19 GLN C . 18121 1 197 . 1 1 19 19 GLN CA C 13 55.438 0.1 . 1 . . . . 19 GLN CA . 18121 1 198 . 1 1 19 19 GLN N N 15 116.878 0.1 . 1 . . . . 19 GLN N . 18121 1 199 . 1 1 19 19 GLN NE2 N 15 110.378 0.1 . 1 . . . . 19 GLN NE2 . 18121 1 200 . 1 1 20 20 GLY H H 1 8.227 0.01 . 1 . . . . 20 GLY H . 18121 1 201 . 1 1 20 20 GLY HA2 H 1 3.808 0.01 . 2 . . . . 20 GLY HA2 . 18121 1 202 . 1 1 20 20 GLY HA3 H 1 4.564 0.01 . 2 . . . . 20 GLY HA3 . 18121 1 203 . 1 1 20 20 GLY C C 13 172.782 0.1 . 1 . . . . 20 GLY C . 18121 1 204 . 1 1 20 20 GLY CA C 13 44.286 0.1 . 1 . . . . 20 GLY CA . 18121 1 205 . 1 1 20 20 GLY N N 15 106.722 0.1 . 1 . . . . 20 GLY N . 18121 1 206 . 1 1 21 21 VAL H H 1 8.308 0.01 . 1 . . . . 21 VAL H . 18121 1 207 . 1 1 21 21 VAL HA H 1 4.243 0.01 . 1 . . . . 21 VAL HA . 18121 1 208 . 1 1 21 21 VAL HB H 1 2.009 0.01 . 1 . . . . 21 VAL HB . 18121 1 209 . 1 1 21 21 VAL HG11 H 1 0.966 0.01 . 2 . . . . 21 VAL QG1 . 18121 1 210 . 1 1 21 21 VAL HG12 H 1 0.966 0.01 . 2 . . . . 21 VAL QG1 . 18121 1 211 . 1 1 21 21 VAL HG13 H 1 0.966 0.01 . 2 . . . . 21 VAL QG1 . 18121 1 212 . 1 1 21 21 VAL HG21 H 1 1.046 0.01 . 2 . . . . 21 VAL QG2 . 18121 1 213 . 1 1 21 21 VAL HG22 H 1 1.046 0.01 . 2 . . . . 21 VAL QG2 . 18121 1 214 . 1 1 21 21 VAL HG23 H 1 1.046 0.01 . 2 . . . . 21 VAL QG2 . 18121 1 215 . 1 1 21 21 VAL C C 13 176.407 0.1 . 1 . . . . 21 VAL C . 18121 1 216 . 1 1 21 21 VAL CA C 13 63.538 0.1 . 1 . . . . 21 VAL CA . 18121 1 217 . 1 1 21 21 VAL CB C 13 32.467 0.1 . 1 . . . . 21 VAL CB . 18121 1 218 . 1 1 21 21 VAL CG1 C 13 21.702 0.1 . 2 . . . . 21 VAL CG1 . 18121 1 219 . 1 1 21 21 VAL CG2 C 13 22.300 0.1 . 2 . . . . 21 VAL CG2 . 18121 1 220 . 1 1 21 21 VAL N N 15 119.734 0.1 . 1 . . . . 21 VAL N . 18121 1 221 . 1 1 22 22 GLY H H 1 9.456 0.01 . 1 . . . . 22 GLY H . 18121 1 222 . 1 1 22 22 GLY HA2 H 1 3.278 0.01 . 2 . . . . 22 GLY HA2 . 18121 1 223 . 1 1 22 22 GLY HA3 H 1 5.310 0.01 . 2 . . . . 22 GLY HA3 . 18121 1 224 . 1 1 22 22 GLY C C 13 170.290 0.1 . 1 . . . . 22 GLY C . 18121 1 225 . 1 1 22 22 GLY CA C 13 44.679 0.1 . 1 . . . . 22 GLY CA . 18121 1 226 . 1 1 22 22 GLY N N 15 115.030 0.1 . 1 . . . . 22 GLY N . 18121 1 227 . 1 1 23 23 GLU H H 1 8.773 0.01 . 1 . . . . 23 GLU H . 18121 1 228 . 1 1 23 23 GLU HA H 1 5.139 0.01 . 1 . . . . 23 GLU HA . 18121 1 229 . 1 1 23 23 GLU HB2 H 1 1.835 0.01 . 2 . . . . 23 GLU HB2 . 18121 1 230 . 1 1 23 23 GLU HB3 H 1 1.935 0.01 . 2 . . . . 23 GLU HB3 . 18121 1 231 . 1 1 23 23 GLU HG2 H 1 2.068 0.01 . 2 . . . . 23 GLU HG2 . 18121 1 232 . 1 1 23 23 GLU HG3 H 1 2.116 0.01 . 2 . . . . 23 GLU HG3 . 18121 1 233 . 1 1 23 23 GLU CA C 13 53.414 0.1 . 1 . . . . 23 GLU CA . 18121 1 234 . 1 1 23 23 GLU CB C 13 33.686 0.1 . 1 . . . . 23 GLU CB . 18121 1 235 . 1 1 23 23 GLU CG C 13 36.471 0.1 . 1 . . . . 23 GLU CG . 18121 1 236 . 1 1 23 23 GLU N N 15 119.135 0.1 . 1 . . . . 23 GLU N . 18121 1 237 . 1 1 24 24 VAL H H 1 9.240 0.01 . 1 . . . . 24 VAL H . 18121 1 238 . 1 1 24 24 VAL HA H 1 4.100 0.01 . 1 . . . . 24 VAL HA . 18121 1 239 . 1 1 24 24 VAL HB H 1 2.319 0.01 . 1 . . . . 24 VAL HB . 18121 1 240 . 1 1 24 24 VAL HG11 H 1 0.457 0.01 . 2 . . . . 24 VAL QG1 . 18121 1 241 . 1 1 24 24 VAL HG12 H 1 0.457 0.01 . 2 . . . . 24 VAL QG1 . 18121 1 242 . 1 1 24 24 VAL HG13 H 1 0.457 0.01 . 2 . . . . 24 VAL QG1 . 18121 1 243 . 1 1 24 24 VAL HG21 H 1 0.799 0.01 . 2 . . . . 24 VAL QG2 . 18121 1 244 . 1 1 24 24 VAL HG22 H 1 0.799 0.01 . 2 . . . . 24 VAL QG2 . 18121 1 245 . 1 1 24 24 VAL HG23 H 1 0.799 0.01 . 2 . . . . 24 VAL QG2 . 18121 1 246 . 1 1 24 24 VAL C C 13 176.553 0.1 . 1 . . . . 24 VAL C . 18121 1 247 . 1 1 24 24 VAL CA C 13 63.381 0.1 . 1 . . . . 24 VAL CA . 18121 1 248 . 1 1 24 24 VAL CB C 13 30.750 0.1 . 1 . . . . 24 VAL CB . 18121 1 249 . 1 1 24 24 VAL CG1 C 13 20.907 0.1 . 2 . . . . 24 VAL CG1 . 18121 1 250 . 1 1 24 24 VAL CG2 C 13 21.306 0.1 . 2 . . . . 24 VAL CG2 . 18121 1 251 . 1 1 24 24 VAL N N 15 126.888 0.1 . 1 . . . . 24 VAL N . 18121 1 252 . 1 1 25 25 MET H H 1 9.609 0.01 . 1 . . . . 25 MET H . 18121 1 253 . 1 1 25 25 MET HA H 1 4.771 0.01 . 1 . . . . 25 MET HA . 18121 1 254 . 1 1 25 25 MET HB2 H 1 1.803 0.01 . 2 . . . . 25 MET HB2 . 18121 1 255 . 1 1 25 25 MET HB3 H 1 2.266 0.01 . 2 . . . . 25 MET HB3 . 18121 1 256 . 1 1 25 25 MET HG2 H 1 2.525 0.01 . 2 . . . . 25 MET QG . 18121 1 257 . 1 1 25 25 MET HG3 H 1 2.525 0.01 . 2 . . . . 25 MET QG . 18121 1 258 . 1 1 25 25 MET HE1 H 1 2.032 0.01 . 1 . . . . 25 MET QE . 18121 1 259 . 1 1 25 25 MET HE2 H 1 2.032 0.01 . 1 . . . . 25 MET QE . 18121 1 260 . 1 1 25 25 MET HE3 H 1 2.032 0.01 . 1 . . . . 25 MET QE . 18121 1 261 . 1 1 25 25 MET C C 13 176.588 0.1 . 1 . . . . 25 MET C . 18121 1 262 . 1 1 25 25 MET CA C 13 54.684 0.1 . 1 . . . . 25 MET CA . 18121 1 263 . 1 1 25 25 MET CG C 13 31.840 0.1 . 1 . . . . 25 MET CG . 18121 1 264 . 1 1 25 25 MET CE C 13 15.757 0.1 . 1 . . . . 25 MET CE . 18121 1 265 . 1 1 25 25 MET N N 15 128.536 0.1 . 1 . . . . 25 MET N . 18121 1 266 . 1 1 26 26 GLY H H 1 7.407 0.01 . 1 . . . . 26 GLY H . 18121 1 267 . 1 1 26 26 GLY HA2 H 1 3.989 0.01 . 2 . . . . 26 GLY HA2 . 18121 1 268 . 1 1 26 26 GLY HA3 H 1 4.378 0.01 . 2 . . . . 26 GLY HA3 . 18121 1 269 . 1 1 26 26 GLY C C 13 170.481 0.1 . 1 . . . . 26 GLY C . 18121 1 270 . 1 1 26 26 GLY CA C 13 44.370 0.1 . 1 . . . . 26 GLY CA . 18121 1 271 . 1 1 26 26 GLY N N 15 105.637 0.1 . 1 . . . . 26 GLY N . 18121 1 272 . 1 1 27 27 ILE H H 1 8.171 0.01 . 1 . . . . 27 ILE H . 18121 1 273 . 1 1 27 27 ILE HA H 1 4.994 0.01 . 1 . . . . 27 ILE HA . 18121 1 274 . 1 1 27 27 ILE HB H 1 1.510 0.01 . 1 . . . . 27 ILE HB . 18121 1 275 . 1 1 27 27 ILE HG12 H 1 0.778 0.01 . 2 . . . . 27 ILE HG12 . 18121 1 276 . 1 1 27 27 ILE HG13 H 1 1.491 0.01 . 2 . . . . 27 ILE HG13 . 18121 1 277 . 1 1 27 27 ILE HG21 H 1 0.441 0.01 . 1 . . . . 27 ILE QG2 . 18121 1 278 . 1 1 27 27 ILE HG22 H 1 0.441 0.01 . 1 . . . . 27 ILE QG2 . 18121 1 279 . 1 1 27 27 ILE HG23 H 1 0.441 0.01 . 1 . . . . 27 ILE QG2 . 18121 1 280 . 1 1 27 27 ILE HD11 H 1 0.863 0.01 . 1 . . . . 27 ILE QD1 . 18121 1 281 . 1 1 27 27 ILE HD12 H 1 0.863 0.01 . 1 . . . . 27 ILE QD1 . 18121 1 282 . 1 1 27 27 ILE HD13 H 1 0.863 0.01 . 1 . . . . 27 ILE QD1 . 18121 1 283 . 1 1 27 27 ILE C C 13 175.707 0.1 . 1 . . . . 27 ILE C . 18121 1 284 . 1 1 27 27 ILE CA C 13 59.838 0.1 . 1 . . . . 27 ILE CA . 18121 1 285 . 1 1 27 27 ILE CB C 13 40.656 0.1 . 1 . . . . 27 ILE CB . 18121 1 286 . 1 1 27 27 ILE CG1 C 13 28.667 0.1 . 1 . . . . 27 ILE CG1 . 18121 1 287 . 1 1 27 27 ILE CG2 C 13 17.497 0.1 . 1 . . . . 27 ILE CG2 . 18121 1 288 . 1 1 27 27 ILE CD1 C 13 13.747 0.1 . 1 . . . . 27 ILE CD1 . 18121 1 289 . 1 1 27 27 ILE N N 15 120.028 0.1 . 1 . . . . 27 ILE N . 18121 1 290 . 1 1 28 28 GLU H H 1 8.915 0.01 . 1 . . . . 28 GLU H . 18121 1 291 . 1 1 28 28 GLU HA H 1 4.533 0.01 . 1 . . . . 28 GLU HA . 18121 1 292 . 1 1 28 28 GLU HB2 H 1 1.828 0.01 . 2 . . . . 28 GLU QB . 18121 1 293 . 1 1 28 28 GLU HB3 H 1 1.828 0.01 . 2 . . . . 28 GLU QB . 18121 1 294 . 1 1 28 28 GLU HG2 H 1 2.048 0.01 . 2 . . . . 28 GLU QG . 18121 1 295 . 1 1 28 28 GLU HG3 H 1 2.048 0.01 . 2 . . . . 28 GLU QG . 18121 1 296 . 1 1 28 28 GLU C C 13 174.365 0.1 . 1 . . . . 28 GLU C . 18121 1 297 . 1 1 28 28 GLU CA C 13 54.143 0.1 . 1 . . . . 28 GLU CA . 18121 1 298 . 1 1 28 28 GLU CB C 13 33.545 0.1 . 1 . . . . 28 GLU CB . 18121 1 299 . 1 1 28 28 GLU CG C 13 36.118 0.1 . 1 . . . . 28 GLU CG . 18121 1 300 . 1 1 28 28 GLU N N 15 127.001 0.1 . 1 . . . . 28 GLU N . 18121 1 301 . 1 1 29 29 HIS H H 1 8.637 0.01 . 1 . . . . 29 HIS H . 18121 1 302 . 1 1 29 29 HIS HA H 1 5.625 0.01 . 1 . . . . 29 HIS HA . 18121 1 303 . 1 1 29 29 HIS HB2 H 1 2.926 0.01 . 2 . . . . 29 HIS QB . 18121 1 304 . 1 1 29 29 HIS HB3 H 1 2.926 0.01 . 2 . . . . 29 HIS QB . 18121 1 305 . 1 1 29 29 HIS HD2 H 1 6.973 0.01 . 1 . . . . 29 HIS HD2 . 18121 1 306 . 1 1 29 29 HIS HE1 H 1 7.559 0.01 . 1 . . . . 29 HIS HE1 . 18121 1 307 . 1 1 29 29 HIS C C 13 175.808 0.1 . 1 . . . . 29 HIS C . 18121 1 308 . 1 1 29 29 HIS CA C 13 54.686 0.1 . 1 . . . . 29 HIS CA . 18121 1 309 . 1 1 29 29 HIS CB C 13 32.923 0.1 . 1 . . . . 29 HIS CB . 18121 1 310 . 1 1 29 29 HIS N N 15 121.642 0.1 . 1 . . . . 29 HIS N . 18121 1 311 . 1 1 30 30 THR H H 1 9.105 0.01 . 1 . . . . 30 THR H . 18121 1 312 . 1 1 30 30 THR HA H 1 4.785 0.01 . 1 . . . . 30 THR HA . 18121 1 313 . 1 1 30 30 THR HB H 1 4.222 0.01 . 1 . . . . 30 THR HB . 18121 1 314 . 1 1 30 30 THR HG21 H 1 1.149 0.01 . 1 . . . . 30 THR QG2 . 18121 1 315 . 1 1 30 30 THR HG22 H 1 1.149 0.01 . 1 . . . . 30 THR QG2 . 18121 1 316 . 1 1 30 30 THR HG23 H 1 1.149 0.01 . 1 . . . . 30 THR QG2 . 18121 1 317 . 1 1 30 30 THR C C 13 173.084 0.1 . 1 . . . . 30 THR C . 18121 1 318 . 1 1 30 30 THR CA C 13 60.321 0.1 . 1 . . . . 30 THR CA . 18121 1 319 . 1 1 30 30 THR CB C 13 71.149 0.1 . 1 . . . . 30 THR CB . 18121 1 320 . 1 1 30 30 THR CG2 C 13 20.994 0.1 . 1 . . . . 30 THR CG2 . 18121 1 321 . 1 1 30 30 THR N N 15 116.444 0.1 . 1 . . . . 30 THR N . 18121 1 322 . 1 1 31 31 GLU H H 1 8.596 0.01 . 1 . . . . 31 GLU H . 18121 1 323 . 1 1 31 31 GLU HA H 1 4.981 0.01 . 1 . . . . 31 GLU HA . 18121 1 324 . 1 1 31 31 GLU HB2 H 1 1.876 0.01 . 2 . . . . 31 GLU HB2 . 18121 1 325 . 1 1 31 31 GLU HB3 H 1 1.918 0.01 . 2 . . . . 31 GLU HB3 . 18121 1 326 . 1 1 31 31 GLU HG2 H 1 1.965 0.01 . 2 . . . . 31 GLU HG2 . 18121 1 327 . 1 1 31 31 GLU HG3 H 1 2.044 0.01 . 2 . . . . 31 GLU HG3 . 18121 1 328 . 1 1 31 31 GLU C C 13 175.552 0.1 . 1 . . . . 31 GLU C . 18121 1 329 . 1 1 31 31 GLU CA C 13 55.753 0.1 . 1 . . . . 31 GLU CA . 18121 1 330 . 1 1 31 31 GLU CB C 13 31.733 0.1 . 1 . . . . 31 GLU CB . 18121 1 331 . 1 1 31 31 GLU CG C 13 36.538 0.1 . 1 . . . . 31 GLU CG . 18121 1 332 . 1 1 31 31 GLU N N 15 123.459 0.1 . 1 . . . . 31 GLU N . 18121 1 333 . 1 1 32 32 VAL H H 1 8.629 0.01 . 1 . . . . 32 VAL H . 18121 1 334 . 1 1 32 32 VAL HA H 1 4.208 0.01 . 1 . . . . 32 VAL HA . 18121 1 335 . 1 1 32 32 VAL HB H 1 2.017 0.01 . 1 . . . . 32 VAL HB . 18121 1 336 . 1 1 32 32 VAL HG11 H 1 0.966 0.01 . 2 . . . . 32 VAL QG1 . 18121 1 337 . 1 1 32 32 VAL HG12 H 1 0.966 0.01 . 2 . . . . 32 VAL QG1 . 18121 1 338 . 1 1 32 32 VAL HG13 H 1 0.966 0.01 . 2 . . . . 32 VAL QG1 . 18121 1 339 . 1 1 32 32 VAL HG21 H 1 0.974 0.01 . 2 . . . . 32 VAL QG2 . 18121 1 340 . 1 1 32 32 VAL HG22 H 1 0.974 0.01 . 2 . . . . 32 VAL QG2 . 18121 1 341 . 1 1 32 32 VAL HG23 H 1 0.974 0.01 . 2 . . . . 32 VAL QG2 . 18121 1 342 . 1 1 32 32 VAL C C 13 174.206 0.1 . 1 . . . . 32 VAL C . 18121 1 343 . 1 1 32 32 VAL CA C 13 61.837 0.1 . 1 . . . . 32 VAL CA . 18121 1 344 . 1 1 32 32 VAL CB C 13 34.410 0.1 . 1 . . . . 32 VAL CB . 18121 1 345 . 1 1 32 32 VAL CG1 C 13 20.582 0.1 . 2 . . . . 32 VAL CG1 . 18121 1 346 . 1 1 32 32 VAL CG2 C 13 21.800 0.1 . 2 . . . . 32 VAL CG2 . 18121 1 347 . 1 1 32 32 VAL N N 15 125.550 0.1 . 1 . . . . 32 VAL N . 18121 1 348 . 1 1 33 33 ALA H H 1 9.263 0.01 . 1 . . . . 33 ALA H . 18121 1 349 . 1 1 33 33 ALA HA H 1 4.077 0.01 . 1 . . . . 33 ALA HA . 18121 1 350 . 1 1 33 33 ALA HB1 H 1 1.441 0.01 . 1 . . . . 33 ALA QB . 18121 1 351 . 1 1 33 33 ALA HB2 H 1 1.441 0.01 . 1 . . . . 33 ALA QB . 18121 1 352 . 1 1 33 33 ALA HB3 H 1 1.441 0.01 . 1 . . . . 33 ALA QB . 18121 1 353 . 1 1 33 33 ALA C C 13 177.477 0.1 . 1 . . . . 33 ALA C . 18121 1 354 . 1 1 33 33 ALA CA C 13 52.866 0.1 . 1 . . . . 33 ALA CA . 18121 1 355 . 1 1 33 33 ALA CB C 13 17.147 0.1 . 1 . . . . 33 ALA CB . 18121 1 356 . 1 1 33 33 ALA N N 15 131.046 0.1 . 1 . . . . 33 ALA N . 18121 1 357 . 1 1 34 34 GLY H H 1 8.634 0.01 . 1 . . . . 34 GLY H . 18121 1 358 . 1 1 34 34 GLY HA2 H 1 3.677 0.01 . 2 . . . . 34 GLY HA2 . 18121 1 359 . 1 1 34 34 GLY HA3 H 1 4.151 0.01 . 2 . . . . 34 GLY HA3 . 18121 1 360 . 1 1 34 34 GLY C C 13 173.933 0.1 . 1 . . . . 34 GLY C . 18121 1 361 . 1 1 34 34 GLY CA C 13 45.396 0.1 . 1 . . . . 34 GLY CA . 18121 1 362 . 1 1 34 34 GLY N N 15 104.050 0.1 . 1 . . . . 34 GLY N . 18121 1 363 . 1 1 35 35 GLN H H 1 7.922 0.01 . 1 . . . . 35 GLN H . 18121 1 364 . 1 1 35 35 GLN HA H 1 4.657 0.01 . 1 . . . . 35 GLN HA . 18121 1 365 . 1 1 35 35 GLN HB2 H 1 2.022 0.01 . 2 . . . . 35 GLN HB2 . 18121 1 366 . 1 1 35 35 GLN HB3 H 1 2.149 0.01 . 2 . . . . 35 GLN HB3 . 18121 1 367 . 1 1 35 35 GLN HG2 H 1 2.314 0.01 . 2 . . . . 35 GLN HG2 . 18121 1 368 . 1 1 35 35 GLN HG3 H 1 2.358 0.01 . 2 . . . . 35 GLN HG3 . 18121 1 369 . 1 1 35 35 GLN HE21 H 1 6.876 0.01 . 2 . . . . 35 GLN HE21 . 18121 1 370 . 1 1 35 35 GLN HE22 H 1 7.568 0.01 . 2 . . . . 35 GLN HE22 . 18121 1 371 . 1 1 35 35 GLN C C 13 174.833 0.1 . 1 . . . . 35 GLN C . 18121 1 372 . 1 1 35 35 GLN CA C 13 53.940 0.1 . 1 . . . . 35 GLN CA . 18121 1 373 . 1 1 35 35 GLN CB C 13 30.846 0.1 . 1 . . . . 35 GLN CB . 18121 1 374 . 1 1 35 35 GLN CG C 13 33.526 0.1 . 1 . . . . 35 GLN CG . 18121 1 375 . 1 1 35 35 GLN CD C 13 180.577 0.1 . 1 . . . . 35 GLN CD . 18121 1 376 . 1 1 35 35 GLN N N 15 119.599 0.1 . 1 . . . . 35 GLN N . 18121 1 377 . 1 1 35 35 GLN NE2 N 15 112.349 0.1 . 1 . . . . 35 GLN NE2 . 18121 1 378 . 1 1 36 36 ARG H H 1 8.774 0.01 . 1 . . . . 36 ARG H . 18121 1 379 . 1 1 36 36 ARG HA H 1 4.789 0.01 . 1 . . . . 36 ARG HA . 18121 1 380 . 1 1 36 36 ARG HB2 H 1 1.782 0.01 . 2 . . . . 36 ARG QB . 18121 1 381 . 1 1 36 36 ARG HB3 H 1 1.782 0.01 . 2 . . . . 36 ARG QB . 18121 1 382 . 1 1 36 36 ARG HG2 H 1 1.532 0.01 . 2 . . . . 36 ARG HG2 . 18121 1 383 . 1 1 36 36 ARG HG3 H 1 1.615 0.01 . 2 . . . . 36 ARG HG3 . 18121 1 384 . 1 1 36 36 ARG HD2 H 1 3.023 0.01 . 2 . . . . 36 ARG QD . 18121 1 385 . 1 1 36 36 ARG HD3 H 1 3.023 0.01 . 2 . . . . 36 ARG QD . 18121 1 386 . 1 1 36 36 ARG C C 13 176.000 0.1 . 1 . . . . 36 ARG C . 18121 1 387 . 1 1 36 36 ARG CA C 13 56.455 0.1 . 1 . . . . 36 ARG CA . 18121 1 388 . 1 1 36 36 ARG CB C 13 30.873 0.1 . 1 . . . . 36 ARG CB . 18121 1 389 . 1 1 36 36 ARG CG C 13 27.590 0.1 . 1 . . . . 36 ARG CG . 18121 1 390 . 1 1 36 36 ARG CD C 13 43.224 0.1 . 1 . . . . 36 ARG CD . 18121 1 391 . 1 1 36 36 ARG N N 15 126.062 0.1 . 1 . . . . 36 ARG N . 18121 1 392 . 1 1 37 37 GLN H H 1 8.882 0.01 . 1 . . . . 37 GLN H . 18121 1 393 . 1 1 37 37 GLN HA H 1 4.640 0.01 . 1 . . . . 37 GLN HA . 18121 1 394 . 1 1 37 37 GLN HB2 H 1 1.951 0.01 . 2 . . . . 37 GLN QB . 18121 1 395 . 1 1 37 37 GLN HB3 H 1 1.951 0.01 . 2 . . . . 37 GLN QB . 18121 1 396 . 1 1 37 37 GLN HG2 H 1 2.078 0.01 . 2 . . . . 37 GLN HG2 . 18121 1 397 . 1 1 37 37 GLN HG3 H 1 2.197 0.01 . 2 . . . . 37 GLN HG3 . 18121 1 398 . 1 1 37 37 GLN HE21 H 1 6.843 0.01 . 2 . . . . 37 GLN HE21 . 18121 1 399 . 1 1 37 37 GLN HE22 H 1 7.323 0.01 . 2 . . . . 37 GLN HE22 . 18121 1 400 . 1 1 37 37 GLN C C 13 174.558 0.1 . 1 . . . . 37 GLN C . 18121 1 401 . 1 1 37 37 GLN CA C 13 54.856 0.1 . 1 . . . . 37 GLN CA . 18121 1 402 . 1 1 37 37 GLN CB C 13 32.000 0.1 . 1 . . . . 37 GLN CB . 18121 1 403 . 1 1 37 37 GLN CG C 13 33.774 0.1 . 1 . . . . 37 GLN CG . 18121 1 404 . 1 1 37 37 GLN CD C 13 180.060 0.1 . 1 . . . . 37 GLN CD . 18121 1 405 . 1 1 37 37 GLN N N 15 126.046 0.1 . 1 . . . . 37 GLN N . 18121 1 406 . 1 1 37 37 GLN NE2 N 15 111.562 0.1 . 1 . . . . 37 GLN NE2 . 18121 1 407 . 1 1 38 38 SER H H 1 8.282 0.01 . 1 . . . . 38 SER H . 18121 1 408 . 1 1 38 38 SER HA H 1 5.511 0.01 . 1 . . . . 38 SER HA . 18121 1 409 . 1 1 38 38 SER HB2 H 1 3.355 0.01 . 2 . . . . 38 SER HB2 . 18121 1 410 . 1 1 38 38 SER HB3 H 1 3.600 0.01 . 2 . . . . 38 SER HB3 . 18121 1 411 . 1 1 38 38 SER C C 13 173.586 0.1 . 1 . . . . 38 SER C . 18121 1 412 . 1 1 38 38 SER CA C 13 58.045 0.1 . 1 . . . . 38 SER CA . 18121 1 413 . 1 1 38 38 SER CB C 13 64.438 0.1 . 1 . . . . 38 SER CB . 18121 1 414 . 1 1 38 38 SER N N 15 118.183 0.1 . 1 . . . . 38 SER N . 18121 1 415 . 1 1 39 39 PHE H H 1 9.150 0.01 . 1 . . . . 39 PHE H . 18121 1 416 . 1 1 39 39 PHE HA H 1 5.057 0.01 . 1 . . . . 39 PHE HA . 18121 1 417 . 1 1 39 39 PHE HB2 H 1 2.487 0.01 . 2 . . . . 39 PHE HB2 . 18121 1 418 . 1 1 39 39 PHE HB3 H 1 2.716 0.01 . 2 . . . . 39 PHE HB3 . 18121 1 419 . 1 1 39 39 PHE HD1 H 1 6.818 0.01 . 3 . . . . 39 PHE QD . 18121 1 420 . 1 1 39 39 PHE HD2 H 1 6.818 0.01 . 3 . . . . 39 PHE QD . 18121 1 421 . 1 1 39 39 PHE HE1 H 1 7.242 0.01 . 3 . . . . 39 PHE QE . 18121 1 422 . 1 1 39 39 PHE HE2 H 1 7.242 0.01 . 3 . . . . 39 PHE QE . 18121 1 423 . 1 1 39 39 PHE HZ H 1 7.197 0.01 . 1 . . . . 39 PHE HZ . 18121 1 424 . 1 1 39 39 PHE C C 13 175.953 0.1 . 1 . . . . 39 PHE C . 18121 1 425 . 1 1 39 39 PHE CA C 13 56.509 0.1 . 1 . . . . 39 PHE CA . 18121 1 426 . 1 1 39 39 PHE CB C 13 43.021 0.1 . 1 . . . . 39 PHE CB . 18121 1 427 . 1 1 39 39 PHE N N 15 121.625 0.1 . 1 . . . . 39 PHE N . 18121 1 428 . 1 1 40 40 TYR H H 1 9.266 0.01 . 1 . . . . 40 TYR H . 18121 1 429 . 1 1 40 40 TYR HA H 1 4.952 0.01 . 1 . . . . 40 TYR HA . 18121 1 430 . 1 1 40 40 TYR HB2 H 1 2.740 0.01 . 2 . . . . 40 TYR HB2 . 18121 1 431 . 1 1 40 40 TYR HB3 H 1 2.795 0.01 . 2 . . . . 40 TYR HB3 . 18121 1 432 . 1 1 40 40 TYR HD1 H 1 6.912 0.01 . 3 . . . . 40 TYR QD . 18121 1 433 . 1 1 40 40 TYR HD2 H 1 6.912 0.01 . 3 . . . . 40 TYR QD . 18121 1 434 . 1 1 40 40 TYR HE1 H 1 7.019 0.01 . 3 . . . . 40 TYR QE . 18121 1 435 . 1 1 40 40 TYR HE2 H 1 7.019 0.01 . 3 . . . . 40 TYR QE . 18121 1 436 . 1 1 40 40 TYR CA C 13 58.598 0.1 . 1 . . . . 40 TYR CA . 18121 1 437 . 1 1 40 40 TYR CB C 13 40.424 0.1 . 1 . . . . 40 TYR CB . 18121 1 438 . 1 1 40 40 TYR CD1 C 13 132.534 0.1 . 3 . . . . 40 TYR CD1 . 18121 1 439 . 1 1 40 40 TYR CE1 C 13 119.618 0.1 . 3 . . . . 40 TYR CE1 . 18121 1 440 . 1 1 40 40 TYR N N 15 119.810 0.1 . 1 . . . . 40 TYR N . 18121 1 441 . 1 1 41 41 VAL H H 1 8.480 0.01 . 1 . . . . 41 VAL H . 18121 1 442 . 1 1 41 41 VAL HA H 1 4.500 0.01 . 1 . . . . 41 VAL HA . 18121 1 443 . 1 1 41 41 VAL HB H 1 1.859 0.01 . 1 . . . . 41 VAL HB . 18121 1 444 . 1 1 41 41 VAL HG11 H 1 0.711 0.01 . 2 . . . . 41 VAL QG1 . 18121 1 445 . 1 1 41 41 VAL HG12 H 1 0.711 0.01 . 2 . . . . 41 VAL QG1 . 18121 1 446 . 1 1 41 41 VAL HG13 H 1 0.711 0.01 . 2 . . . . 41 VAL QG1 . 18121 1 447 . 1 1 41 41 VAL HG21 H 1 0.804 0.01 . 2 . . . . 41 VAL QG2 . 18121 1 448 . 1 1 41 41 VAL HG22 H 1 0.804 0.01 . 2 . . . . 41 VAL QG2 . 18121 1 449 . 1 1 41 41 VAL HG23 H 1 0.804 0.01 . 2 . . . . 41 VAL QG2 . 18121 1 450 . 1 1 41 41 VAL CA C 13 61.881 0.1 . 1 . . . . 41 VAL CA . 18121 1 451 . 1 1 41 41 VAL CB C 13 32.072 0.1 . 1 . . . . 41 VAL CB . 18121 1 452 . 1 1 41 41 VAL CG1 C 13 21.009 0.1 . 2 . . . . 41 VAL CG1 . 18121 1 453 . 1 1 41 41 VAL CG2 C 13 21.061 0.1 . 2 . . . . 41 VAL CG2 . 18121 1 454 . 1 1 41 41 VAL N N 15 117.463 0.1 . 1 . . . . 41 VAL N . 18121 1 455 . 1 1 42 42 LEU H H 1 9.270 0.01 . 1 . . . . 42 LEU H . 18121 1 456 . 1 1 42 42 LEU HA H 1 4.969 0.01 . 1 . . . . 42 LEU HA . 18121 1 457 . 1 1 42 42 LEU HB2 H 1 1.008 0.01 . 2 . . . . 42 LEU HB2 . 18121 1 458 . 1 1 42 42 LEU HB3 H 1 1.745 0.01 . 2 . . . . 42 LEU HB3 . 18121 1 459 . 1 1 42 42 LEU HG H 1 1.173 0.01 . 1 . . . . 42 LEU HG . 18121 1 460 . 1 1 42 42 LEU HD11 H 1 0.547 0.01 . 2 . . . . 42 LEU QD1 . 18121 1 461 . 1 1 42 42 LEU HD12 H 1 0.547 0.01 . 2 . . . . 42 LEU QD1 . 18121 1 462 . 1 1 42 42 LEU HD13 H 1 0.547 0.01 . 2 . . . . 42 LEU QD1 . 18121 1 463 . 1 1 42 42 LEU HD21 H 1 0.674 0.01 . 2 . . . . 42 LEU QD2 . 18121 1 464 . 1 1 42 42 LEU HD22 H 1 0.674 0.01 . 2 . . . . 42 LEU QD2 . 18121 1 465 . 1 1 42 42 LEU HD23 H 1 0.674 0.01 . 2 . . . . 42 LEU QD2 . 18121 1 466 . 1 1 42 42 LEU CA C 13 52.829 0.1 . 1 . . . . 42 LEU CA . 18121 1 467 . 1 1 42 42 LEU CB C 13 46.057 0.1 . 1 . . . . 42 LEU CB . 18121 1 468 . 1 1 42 42 LEU CG C 13 27.953 0.1 . 1 . . . . 42 LEU CG . 18121 1 469 . 1 1 42 42 LEU CD1 C 13 24.737 0.1 . 2 . . . . 42 LEU CD1 . 18121 1 470 . 1 1 42 42 LEU CD2 C 13 27.068 0.1 . 2 . . . . 42 LEU CD2 . 18121 1 471 . 1 1 43 43 ARG H H 1 9.035 0.01 . 1 . . . . 43 ARG H . 18121 1 472 . 1 1 43 43 ARG HA H 1 5.097 0.01 . 1 . . . . 43 ARG HA . 18121 1 473 . 1 1 43 43 ARG HB2 H 1 1.467 0.01 . 2 . . . . 43 ARG HB2 . 18121 1 474 . 1 1 43 43 ARG HB3 H 1 2.071 0.01 . 2 . . . . 43 ARG HB3 . 18121 1 475 . 1 1 43 43 ARG HG2 H 1 1.255 0.01 . 2 . . . . 43 ARG HG2 . 18121 1 476 . 1 1 43 43 ARG HG3 H 1 1.325 0.01 . 2 . . . . 43 ARG HG3 . 18121 1 477 . 1 1 43 43 ARG HD2 H 1 3.117 0.01 . 2 . . . . 43 ARG HD2 . 18121 1 478 . 1 1 43 43 ARG HD3 H 1 3.320 0.01 . 2 . . . . 43 ARG HD3 . 18121 1 479 . 1 1 43 43 ARG CA C 13 53.795 0.1 . 1 . . . . 43 ARG CA . 18121 1 480 . 1 1 43 43 ARG CB C 13 32.948 0.1 . 1 . . . . 43 ARG CB . 18121 1 481 . 1 1 43 43 ARG CG C 13 27.466 0.1 . 1 . . . . 43 ARG CG . 18121 1 482 . 1 1 43 43 ARG CD C 13 43.463 0.1 . 1 . . . . 43 ARG CD . 18121 1 483 . 1 1 43 43 ARG N N 15 126.811 0.1 . 1 . . . . 43 ARG N . 18121 1 484 . 1 1 44 44 ILE H H 1 9.343 0.01 . 1 . . . . 44 ILE H . 18121 1 485 . 1 1 44 44 ILE HA H 1 4.219 0.01 . 1 . . . . 44 ILE HA . 18121 1 486 . 1 1 44 44 ILE HB H 1 2.597 0.01 . 1 . . . . 44 ILE HB . 18121 1 487 . 1 1 44 44 ILE HG12 H 1 1.280 0.01 . 2 . . . . 44 ILE HG12 . 18121 1 488 . 1 1 44 44 ILE HG13 H 1 1.535 0.01 . 2 . . . . 44 ILE HG13 . 18121 1 489 . 1 1 44 44 ILE HG21 H 1 1.009 0.01 . 1 . . . . 44 ILE QG2 . 18121 1 490 . 1 1 44 44 ILE HG22 H 1 1.009 0.01 . 1 . . . . 44 ILE QG2 . 18121 1 491 . 1 1 44 44 ILE HG23 H 1 1.009 0.01 . 1 . . . . 44 ILE QG2 . 18121 1 492 . 1 1 44 44 ILE HD11 H 1 0.462 0.01 . 1 . . . . 44 ILE QD1 . 18121 1 493 . 1 1 44 44 ILE HD12 H 1 0.462 0.01 . 1 . . . . 44 ILE QD1 . 18121 1 494 . 1 1 44 44 ILE HD13 H 1 0.462 0.01 . 1 . . . . 44 ILE QD1 . 18121 1 495 . 1 1 44 44 ILE C C 13 177.891 0.1 . 1 . . . . 44 ILE C . 18121 1 496 . 1 1 44 44 ILE CA C 13 59.243 0.1 . 1 . . . . 44 ILE CA . 18121 1 497 . 1 1 44 44 ILE CB C 13 34.763 0.1 . 1 . . . . 44 ILE CB . 18121 1 498 . 1 1 44 44 ILE CG1 C 13 26.161 0.1 . 1 . . . . 44 ILE CG1 . 18121 1 499 . 1 1 44 44 ILE CG2 C 13 18.610 0.1 . 1 . . . . 44 ILE CG2 . 18121 1 500 . 1 1 44 44 ILE CD1 C 13 8.761 0.1 . 1 . . . . 44 ILE CD1 . 18121 1 501 . 1 1 44 44 ILE N N 15 129.931 0.1 . 1 . . . . 44 ILE N . 18121 1 502 . 1 1 45 45 LEU H H 1 8.523 0.01 . 1 . . . . 45 LEU H . 18121 1 503 . 1 1 45 45 LEU HA H 1 3.994 0.01 . 1 . . . . 45 LEU HA . 18121 1 504 . 1 1 45 45 LEU HB2 H 1 1.570 0.01 . 2 . . . . 45 LEU HB2 . 18121 1 505 . 1 1 45 45 LEU HB3 H 1 1.773 0.01 . 2 . . . . 45 LEU HB3 . 18121 1 506 . 1 1 45 45 LEU HG H 1 1.737 0.01 . 1 . . . . 45 LEU HG . 18121 1 507 . 1 1 45 45 LEU HD11 H 1 0.919 0.01 . 2 . . . . 45 LEU QD1 . 18121 1 508 . 1 1 45 45 LEU HD12 H 1 0.919 0.01 . 2 . . . . 45 LEU QD1 . 18121 1 509 . 1 1 45 45 LEU HD13 H 1 0.919 0.01 . 2 . . . . 45 LEU QD1 . 18121 1 510 . 1 1 45 45 LEU HD21 H 1 0.913 0.01 . 2 . . . . 45 LEU QD2 . 18121 1 511 . 1 1 45 45 LEU HD22 H 1 0.913 0.01 . 2 . . . . 45 LEU QD2 . 18121 1 512 . 1 1 45 45 LEU HD23 H 1 0.913 0.01 . 2 . . . . 45 LEU QD2 . 18121 1 513 . 1 1 45 45 LEU CA C 13 58.558 0.1 . 1 . . . . 45 LEU CA . 18121 1 514 . 1 1 45 45 LEU CB C 13 40.948 0.1 . 1 . . . . 45 LEU CB . 18121 1 515 . 1 1 45 45 LEU CG C 13 28.003 0.1 . 1 . . . . 45 LEU CG . 18121 1 516 . 1 1 45 45 LEU CD1 C 13 22.987 0.1 . 2 . . . . 45 LEU CD1 . 18121 1 517 . 1 1 45 45 LEU CD2 C 13 25.432 0.1 . 2 . . . . 45 LEU CD2 . 18121 1 518 . 1 1 45 45 LEU N N 15 128.466 0.1 . 1 . . . . 45 LEU N . 18121 1 519 . 1 1 46 46 GLU H H 1 8.816 0.01 . 1 . . . . 46 GLU H . 18121 1 520 . 1 1 46 46 GLU HA H 1 4.051 0.01 . 1 . . . . 46 GLU HA . 18121 1 521 . 1 1 46 46 GLU HB2 H 1 1.901 0.01 . 2 . . . . 46 GLU HB2 . 18121 1 522 . 1 1 46 46 GLU HB3 H 1 2.125 0.01 . 2 . . . . 46 GLU HB3 . 18121 1 523 . 1 1 46 46 GLU HG2 H 1 2.275 0.01 . 2 . . . . 46 GLU QG . 18121 1 524 . 1 1 46 46 GLU HG3 H 1 2.275 0.01 . 2 . . . . 46 GLU QG . 18121 1 525 . 1 1 46 46 GLU C C 13 176.639 0.1 . 1 . . . . 46 GLU C . 18121 1 526 . 1 1 46 46 GLU CA C 13 59.271 0.1 . 1 . . . . 46 GLU CA . 18121 1 527 . 1 1 46 46 GLU CB C 13 30.280 0.1 . 1 . . . . 46 GLU CB . 18121 1 528 . 1 1 46 46 GLU CG C 13 35.390 0.1 . 1 . . . . 46 GLU CG . 18121 1 529 . 1 1 46 46 GLU N N 15 116.734 0.1 . 1 . . . . 46 GLU N . 18121 1 530 . 1 1 47 47 ASN H H 1 6.675 0.01 . 1 . . . . 47 ASN H . 18121 1 531 . 1 1 47 47 ASN HA H 1 4.923 0.01 . 1 . . . . 47 ASN HA . 18121 1 532 . 1 1 47 47 ASN HB2 H 1 2.753 0.01 . 2 . . . . 47 ASN HB2 . 18121 1 533 . 1 1 47 47 ASN HB3 H 1 3.136 0.01 . 2 . . . . 47 ASN HB3 . 18121 1 534 . 1 1 47 47 ASN HD21 H 1 6.791 0.01 . 2 . . . . 47 ASN HD21 . 18121 1 535 . 1 1 47 47 ASN HD22 H 1 7.456 0.01 . 2 . . . . 47 ASN HD22 . 18121 1 536 . 1 1 47 47 ASN C C 13 176.748 0.1 . 1 . . . . 47 ASN C . 18121 1 537 . 1 1 47 47 ASN CA C 13 51.974 0.1 . 1 . . . . 47 ASN CA . 18121 1 538 . 1 1 47 47 ASN CB C 13 39.906 0.1 . 1 . . . . 47 ASN CB . 18121 1 539 . 1 1 47 47 ASN N N 15 109.195 0.1 . 1 . . . . 47 ASN N . 18121 1 540 . 1 1 47 47 ASN ND2 N 15 110.326 0.1 . 1 . . . . 47 ASN ND2 . 18121 1 541 . 1 1 48 48 GLY H H 1 8.280 0.01 . 1 . . . . 48 GLY H . 18121 1 542 . 1 1 48 48 GLY HA2 H 1 3.699 0.01 . 2 . . . . 48 GLY HA2 . 18121 1 543 . 1 1 48 48 GLY HA3 H 1 4.111 0.01 . 2 . . . . 48 GLY HA3 . 18121 1 544 . 1 1 48 48 GLY C C 13 174.202 0.1 . 1 . . . . 48 GLY C . 18121 1 545 . 1 1 48 48 GLY CA C 13 46.205 0.1 . 1 . . . . 48 GLY CA . 18121 1 546 . 1 1 48 48 GLY N N 15 110.095 0.1 . 1 . . . . 48 GLY N . 18121 1 547 . 1 1 49 49 MET H H 1 8.130 0.01 . 1 . . . . 49 MET H . 18121 1 548 . 1 1 49 49 MET HA H 1 4.137 0.01 . 1 . . . . 49 MET HA . 18121 1 549 . 1 1 49 49 MET HB2 H 1 1.964 0.01 . 2 . . . . 49 MET QB . 18121 1 550 . 1 1 49 49 MET HB3 H 1 1.964 0.01 . 2 . . . . 49 MET QB . 18121 1 551 . 1 1 49 49 MET HG2 H 1 2.311 0.01 . 2 . . . . 49 MET HG2 . 18121 1 552 . 1 1 49 49 MET HG3 H 1 2.364 0.01 . 2 . . . . 49 MET HG3 . 18121 1 553 . 1 1 49 49 MET HE1 H 1 1.984 0.01 . 1 . . . . 49 MET QE . 18121 1 554 . 1 1 49 49 MET HE2 H 1 1.984 0.01 . 1 . . . . 49 MET QE . 18121 1 555 . 1 1 49 49 MET HE3 H 1 1.984 0.01 . 1 . . . . 49 MET QE . 18121 1 556 . 1 1 49 49 MET C C 13 174.714 0.1 . 1 . . . . 49 MET C . 18121 1 557 . 1 1 49 49 MET CA C 13 56.792 0.1 . 1 . . . . 49 MET CA . 18121 1 558 . 1 1 49 49 MET CB C 13 31.635 0.1 . 1 . . . . 49 MET CB . 18121 1 559 . 1 1 49 49 MET CG C 13 31.773 0.1 . 1 . . . . 49 MET CG . 18121 1 560 . 1 1 49 49 MET CE C 13 16.864 0.1 . 1 . . . . 49 MET CE . 18121 1 561 . 1 1 49 49 MET N N 15 121.539 0.1 . 1 . . . . 49 MET N . 18121 1 562 . 1 1 50 50 ARG H H 1 8.389 0.01 . 1 . . . . 50 ARG H . 18121 1 563 . 1 1 50 50 ARG HA H 1 5.163 0.01 . 1 . . . . 50 ARG HA . 18121 1 564 . 1 1 50 50 ARG HB2 H 1 1.467 0.01 . 2 . . . . 50 ARG HB2 . 18121 1 565 . 1 1 50 50 ARG HB3 H 1 1.678 0.01 . 2 . . . . 50 ARG HB3 . 18121 1 566 . 1 1 50 50 ARG HG2 H 1 1.234 0.01 . 2 . . . . 50 ARG QG . 18121 1 567 . 1 1 50 50 ARG HG3 H 1 1.234 0.01 . 2 . . . . 50 ARG QG . 18121 1 568 . 1 1 50 50 ARG HD2 H 1 3.075 0.01 . 2 . . . . 50 ARG QD . 18121 1 569 . 1 1 50 50 ARG HD3 H 1 3.075 0.01 . 2 . . . . 50 ARG QD . 18121 1 570 . 1 1 50 50 ARG CA C 13 54.547 0.1 . 1 . . . . 50 ARG CA . 18121 1 571 . 1 1 50 50 ARG CB C 13 32.005 0.1 . 1 . . . . 50 ARG CB . 18121 1 572 . 1 1 50 50 ARG CG C 13 28.131 0.1 . 1 . . . . 50 ARG CG . 18121 1 573 . 1 1 50 50 ARG CD C 13 43.479 0.1 . 1 . . . . 50 ARG CD . 18121 1 574 . 1 1 50 50 ARG N N 15 123.746 0.1 . 1 . . . . 50 ARG N . 18121 1 575 . 1 1 51 51 ILE H H 1 9.152 0.01 . 1 . . . . 51 ILE H . 18121 1 576 . 1 1 51 51 ILE HA H 1 4.307 0.01 . 1 . . . . 51 ILE HA . 18121 1 577 . 1 1 51 51 ILE HB H 1 1.481 0.01 . 1 . . . . 51 ILE HB . 18121 1 578 . 1 1 51 51 ILE HG12 H 1 1.206 0.01 . 2 . . . . 51 ILE HG12 . 18121 1 579 . 1 1 51 51 ILE HG13 H 1 0.800 0.01 . 2 . . . . 51 ILE HG13 . 18121 1 580 . 1 1 51 51 ILE HG21 H 1 0.611 0.01 . 1 . . . . 51 ILE QG2 . 18121 1 581 . 1 1 51 51 ILE HG22 H 1 0.611 0.01 . 1 . . . . 51 ILE QG2 . 18121 1 582 . 1 1 51 51 ILE HG23 H 1 0.611 0.01 . 1 . . . . 51 ILE QG2 . 18121 1 583 . 1 1 51 51 ILE HD11 H 1 0.278 0.01 . 1 . . . . 51 ILE QD1 . 18121 1 584 . 1 1 51 51 ILE HD12 H 1 0.278 0.01 . 1 . . . . 51 ILE QD1 . 18121 1 585 . 1 1 51 51 ILE HD13 H 1 0.278 0.01 . 1 . . . . 51 ILE QD1 . 18121 1 586 . 1 1 51 51 ILE CB C 13 40.958 0.1 . 1 . . . . 51 ILE CB . 18121 1 587 . 1 1 51 51 ILE CG1 C 13 27.227 0.1 . 1 . . . . 51 ILE CG1 . 18121 1 588 . 1 1 51 51 ILE CG2 C 13 17.447 0.1 . 1 . . . . 51 ILE CG2 . 18121 1 589 . 1 1 51 51 ILE CD1 C 13 13.201 0.1 . 1 . . . . 51 ILE CD1 . 18121 1 590 . 1 1 51 51 ILE N N 15 125.075 0.1 . 1 . . . . 51 ILE N . 18121 1 591 . 1 1 52 52 MET H H 1 8.073 0.01 . 1 . . . . 52 MET H . 18121 1 592 . 1 1 52 52 MET HA H 1 5.245 0.01 . 1 . . . . 52 MET HA . 18121 1 593 . 1 1 52 52 MET HB2 H 1 1.449 0.01 . 2 . . . . 52 MET HB2 . 18121 1 594 . 1 1 52 52 MET HB3 H 1 1.758 0.01 . 2 . . . . 52 MET HB3 . 18121 1 595 . 1 1 52 52 MET HG2 H 1 2.129 0.01 . 2 . . . . 52 MET HG2 . 18121 1 596 . 1 1 52 52 MET HG3 H 1 2.259 0.01 . 2 . . . . 52 MET HG3 . 18121 1 597 . 1 1 52 52 MET HE1 H 1 1.428 0.01 . 1 . . . . 52 MET QE . 18121 1 598 . 1 1 52 52 MET HE2 H 1 1.428 0.01 . 1 . . . . 52 MET QE . 18121 1 599 . 1 1 52 52 MET HE3 H 1 1.428 0.01 . 1 . . . . 52 MET QE . 18121 1 600 . 1 1 52 52 MET C C 13 175.973 0.1 . 1 . . . . 52 MET C . 18121 1 601 . 1 1 52 52 MET CA C 13 53.867 0.1 . 1 . . . . 52 MET CA . 18121 1 602 . 1 1 52 52 MET CB C 13 33.219 0.1 . 1 . . . . 52 MET CB . 18121 1 603 . 1 1 52 52 MET CG C 13 32.148 0.1 . 1 . . . . 52 MET CG . 18121 1 604 . 1 1 52 52 MET CE C 13 16.421 0.1 . 1 . . . . 52 MET CE . 18121 1 605 . 1 1 52 52 MET N N 15 118.960 0.1 . 1 . . . . 52 MET N . 18121 1 606 . 1 1 53 53 ILE H H 1 9.402 0.01 . 1 . . . . 53 ILE H . 18121 1 607 . 1 1 53 53 ILE HA H 1 4.878 0.01 . 1 . . . . 53 ILE HA . 18121 1 608 . 1 1 53 53 ILE HB H 1 2.013 0.01 . 1 . . . . 53 ILE HB . 18121 1 609 . 1 1 53 53 ILE HG12 H 1 1.194 0.01 . 2 . . . . 53 ILE HG12 . 18121 1 610 . 1 1 53 53 ILE HG13 H 1 1.592 0.01 . 2 . . . . 53 ILE HG13 . 18121 1 611 . 1 1 53 53 ILE HG21 H 1 1.070 0.01 . 1 . . . . 53 ILE QG2 . 18121 1 612 . 1 1 53 53 ILE HG22 H 1 1.070 0.01 . 1 . . . . 53 ILE QG2 . 18121 1 613 . 1 1 53 53 ILE HG23 H 1 1.070 0.01 . 1 . . . . 53 ILE QG2 . 18121 1 614 . 1 1 53 53 ILE HD11 H 1 0.802 0.01 . 1 . . . . 53 ILE QD1 . 18121 1 615 . 1 1 53 53 ILE HD12 H 1 0.802 0.01 . 1 . . . . 53 ILE QD1 . 18121 1 616 . 1 1 53 53 ILE HD13 H 1 0.802 0.01 . 1 . . . . 53 ILE QD1 . 18121 1 617 . 1 1 53 53 ILE CA C 13 57.975 0.1 . 1 . . . . 53 ILE CA . 18121 1 618 . 1 1 53 53 ILE CB C 13 41.758 0.1 . 1 . . . . 53 ILE CB . 18121 1 619 . 1 1 53 53 ILE CG1 C 13 27.783 0.1 . 1 . . . . 53 ILE CG1 . 18121 1 620 . 1 1 53 53 ILE CG2 C 13 17.636 0.1 . 1 . . . . 53 ILE CG2 . 18121 1 621 . 1 1 53 53 ILE CD1 C 13 15.626 0.1 . 1 . . . . 53 ILE CD1 . 18121 1 622 . 1 1 53 53 ILE N N 15 125.522 0.1 . 1 . . . . 53 ILE N . 18121 1 623 . 1 1 54 54 PRO HA H 1 4.275 0.01 . 1 . . . . 54 PRO HA . 18121 1 624 . 1 1 54 54 PRO HB2 H 1 1.848 0.01 . 2 . . . . 54 PRO HB2 . 18121 1 625 . 1 1 54 54 PRO HB3 H 1 2.276 0.01 . 2 . . . . 54 PRO HB3 . 18121 1 626 . 1 1 54 54 PRO HG2 H 1 2.120 0.01 . 2 . . . . 54 PRO HG2 . 18121 1 627 . 1 1 54 54 PRO HG3 H 1 2.255 0.01 . 2 . . . . 54 PRO HG3 . 18121 1 628 . 1 1 54 54 PRO HD2 H 1 3.806 0.01 . 2 . . . . 54 PRO HD2 . 18121 1 629 . 1 1 54 54 PRO HD3 H 1 4.220 0.01 . 2 . . . . 54 PRO HD3 . 18121 1 630 . 1 1 54 54 PRO C C 13 178.209 0.1 . 1 . . . . 54 PRO C . 18121 1 631 . 1 1 54 54 PRO CA C 13 63.361 0.1 . 1 . . . . 54 PRO CA . 18121 1 632 . 1 1 54 54 PRO CB C 13 32.344 0.1 . 1 . . . . 54 PRO CB . 18121 1 633 . 1 1 54 54 PRO CG C 13 28.090 0.1 . 1 . . . . 54 PRO CG . 18121 1 634 . 1 1 54 54 PRO CD C 13 51.492 0.1 . 1 . . . . 54 PRO CD . 18121 1 635 . 1 1 55 55 ILE H H 1 7.829 0.01 . 1 . . . . 55 ILE H . 18121 1 636 . 1 1 55 55 ILE HA H 1 3.893 0.01 . 1 . . . . 55 ILE HA . 18121 1 637 . 1 1 55 55 ILE HB H 1 1.535 0.01 . 1 . . . . 55 ILE HB . 18121 1 638 . 1 1 55 55 ILE HG12 H 1 0.644 0.01 . 2 . . . . 55 ILE HG12 . 18121 1 639 . 1 1 55 55 ILE HG13 H 1 1.226 0.01 . 2 . . . . 55 ILE HG13 . 18121 1 640 . 1 1 55 55 ILE HG21 H 1 0.579 0.01 . 1 . . . . 55 ILE QG2 . 18121 1 641 . 1 1 55 55 ILE HG22 H 1 0.579 0.01 . 1 . . . . 55 ILE QG2 . 18121 1 642 . 1 1 55 55 ILE HG23 H 1 0.579 0.01 . 1 . . . . 55 ILE QG2 . 18121 1 643 . 1 1 55 55 ILE HD11 H 1 0.491 0.01 . 1 . . . . 55 ILE QD1 . 18121 1 644 . 1 1 55 55 ILE HD12 H 1 0.491 0.01 . 1 . . . . 55 ILE QD1 . 18121 1 645 . 1 1 55 55 ILE HD13 H 1 0.491 0.01 . 1 . . . . 55 ILE QD1 . 18121 1 646 . 1 1 55 55 ILE CA C 13 64.564 0.1 . 1 . . . . 55 ILE CA . 18121 1 647 . 1 1 55 55 ILE CB C 13 37.909 0.1 . 1 . . . . 55 ILE CB . 18121 1 648 . 1 1 55 55 ILE CG1 C 13 27.486 0.1 . 1 . . . . 55 ILE CG1 . 18121 1 649 . 1 1 55 55 ILE CG2 C 13 16.930 0.1 . 1 . . . . 55 ILE CG2 . 18121 1 650 . 1 1 55 55 ILE CD1 C 13 13.626 0.1 . 1 . . . . 55 ILE CD1 . 18121 1 651 . 1 1 55 55 ILE N N 15 121.681 0.1 . 1 . . . . 55 ILE N . 18121 1 652 . 1 1 56 56 ASN HA H 1 4.797 0.01 . 1 . . . . 56 ASN HA . 18121 1 653 . 1 1 56 56 ASN HB2 H 1 2.891 0.01 . 2 . . . . 56 ASN HB2 . 18121 1 654 . 1 1 56 56 ASN HB3 H 1 2.981 0.01 . 2 . . . . 56 ASN HB3 . 18121 1 655 . 1 1 56 56 ASN HD21 H 1 6.909 0.01 . 2 . . . . 56 ASN HD21 . 18121 1 656 . 1 1 56 56 ASN HD22 H 1 7.639 0.01 . 2 . . . . 56 ASN HD22 . 18121 1 657 . 1 1 56 56 ASN CA C 13 53.387 0.1 . 1 . . . . 56 ASN CA . 18121 1 658 . 1 1 56 56 ASN CB C 13 37.719 0.1 . 1 . . . . 56 ASN CB . 18121 1 659 . 1 1 56 56 ASN CG C 13 177.173 0.1 . 1 . . . . 56 ASN CG . 18121 1 660 . 1 1 56 56 ASN ND2 N 15 112.148 0.1 . 1 . . . . 56 ASN ND2 . 18121 1 661 . 1 1 57 57 LYS HA H 1 3.938 0.01 . 1 . . . . 57 LYS HA . 18121 1 662 . 1 1 57 57 LYS HB2 H 1 1.872 0.01 . 2 . . . . 57 LYS QB . 18121 1 663 . 1 1 57 57 LYS HB3 H 1 1.872 0.01 . 2 . . . . 57 LYS QB . 18121 1 664 . 1 1 57 57 LYS HG2 H 1 1.417 0.01 . 2 . . . . 57 LYS QG . 18121 1 665 . 1 1 57 57 LYS HG3 H 1 1.417 0.01 . 2 . . . . 57 LYS QG . 18121 1 666 . 1 1 57 57 LYS HD2 H 1 1.705 0.01 . 2 . . . . 57 LYS QD . 18121 1 667 . 1 1 57 57 LYS HD3 H 1 1.705 0.01 . 2 . . . . 57 LYS QD . 18121 1 668 . 1 1 57 57 LYS HE2 H 1 3.011 0.01 . 2 . . . . 57 LYS QE . 18121 1 669 . 1 1 57 57 LYS HE3 H 1 3.011 0.01 . 2 . . . . 57 LYS QE . 18121 1 670 . 1 1 57 57 LYS C C 13 176.819 0.1 . 1 . . . . 57 LYS C . 18121 1 671 . 1 1 57 57 LYS CA C 13 55.780 0.1 . 1 . . . . 57 LYS CA . 18121 1 672 . 1 1 57 57 LYS CB C 13 35.718 0.1 . 1 . . . . 57 LYS CB . 18121 1 673 . 1 1 57 57 LYS CG C 13 23.835 0.1 . 1 . . . . 57 LYS CG . 18121 1 674 . 1 1 57 57 LYS CD C 13 29.095 0.1 . 1 . . . . 57 LYS CD . 18121 1 675 . 1 1 57 57 LYS CE C 13 41.935 0.1 . 1 . . . . 57 LYS CE . 18121 1 676 . 1 1 58 58 VAL H H 1 7.625 0.01 . 1 . . . . 58 VAL H . 18121 1 677 . 1 1 58 58 VAL HA H 1 3.882 0.01 . 1 . . . . 58 VAL HA . 18121 1 678 . 1 1 58 58 VAL HB H 1 2.210 0.01 . 1 . . . . 58 VAL HB . 18121 1 679 . 1 1 58 58 VAL HG11 H 1 1.100 0.01 . 2 . . . . 58 VAL QG1 . 18121 1 680 . 1 1 58 58 VAL HG12 H 1 1.100 0.01 . 2 . . . . 58 VAL QG1 . 18121 1 681 . 1 1 58 58 VAL HG13 H 1 1.100 0.01 . 2 . . . . 58 VAL QG1 . 18121 1 682 . 1 1 58 58 VAL HG21 H 1 1.102 0.01 . 2 . . . . 58 VAL QG2 . 18121 1 683 . 1 1 58 58 VAL HG22 H 1 1.102 0.01 . 2 . . . . 58 VAL QG2 . 18121 1 684 . 1 1 58 58 VAL HG23 H 1 1.102 0.01 . 2 . . . . 58 VAL QG2 . 18121 1 685 . 1 1 58 58 VAL CA C 13 64.775 0.1 . 1 . . . . 58 VAL CA . 18121 1 686 . 1 1 58 58 VAL CB C 13 32.239 0.1 . 1 . . . . 58 VAL CB . 18121 1 687 . 1 1 58 58 VAL CG1 C 13 21.629 0.1 . 2 . . . . 58 VAL CG1 . 18121 1 688 . 1 1 58 58 VAL CG2 C 13 21.349 0.1 . 2 . . . . 58 VAL CG2 . 18121 1 689 . 1 1 58 58 VAL N N 15 120.252 0.1 . 1 . . . . 58 VAL N . 18121 1 690 . 1 1 59 59 GLY H H 1 8.726 0.01 . 1 . . . . 59 GLY H . 18121 1 691 . 1 1 59 59 GLY HA2 H 1 4.024 0.01 . 2 . . . . 59 GLY QA . 18121 1 692 . 1 1 59 59 GLY HA3 H 1 4.024 0.01 . 2 . . . . 59 GLY QA . 18121 1 693 . 1 1 59 59 GLY C C 13 175.285 0.1 . 1 . . . . 59 GLY C . 18121 1 694 . 1 1 59 59 GLY CA C 13 45.877 0.1 . 1 . . . . 59 GLY CA . 18121 1 695 . 1 1 59 59 GLY N N 15 109.724 0.1 . 1 . . . . 59 GLY N . 18121 1 696 . 1 1 60 60 SER H H 1 8.021 0.01 . 1 . . . . 60 SER H . 18121 1 697 . 1 1 60 60 SER HA H 1 4.524 0.01 . 1 . . . . 60 SER HA . 18121 1 698 . 1 1 60 60 SER HB2 H 1 3.962 0.01 . 2 . . . . 60 SER QB . 18121 1 699 . 1 1 60 60 SER HB3 H 1 3.962 0.01 . 2 . . . . 60 SER QB . 18121 1 700 . 1 1 60 60 SER CA C 13 59.355 0.1 . 1 . . . . 60 SER CA . 18121 1 701 . 1 1 60 60 SER CB C 13 63.806 0.1 . 1 . . . . 60 SER CB . 18121 1 702 . 1 1 60 60 SER N N 15 115.858 0.1 . 1 . . . . 60 SER N . 18121 1 703 . 1 1 61 61 VAL H H 1 7.911 0.01 . 1 . . . . 61 VAL H . 18121 1 704 . 1 1 61 61 VAL HA H 1 4.170 0.01 . 1 . . . . 61 VAL HA . 18121 1 705 . 1 1 61 61 VAL HB H 1 2.209 0.01 . 1 . . . . 61 VAL HB . 18121 1 706 . 1 1 61 61 VAL HG11 H 1 0.911 0.01 . 2 . . . . 61 VAL QG1 . 18121 1 707 . 1 1 61 61 VAL HG12 H 1 0.911 0.01 . 2 . . . . 61 VAL QG1 . 18121 1 708 . 1 1 61 61 VAL HG13 H 1 0.911 0.01 . 2 . . . . 61 VAL QG1 . 18121 1 709 . 1 1 61 61 VAL HG21 H 1 1.008 0.01 . 2 . . . . 61 VAL QG2 . 18121 1 710 . 1 1 61 61 VAL HG22 H 1 1.008 0.01 . 2 . . . . 61 VAL QG2 . 18121 1 711 . 1 1 61 61 VAL HG23 H 1 1.008 0.01 . 2 . . . . 61 VAL QG2 . 18121 1 712 . 1 1 61 61 VAL CA C 13 62.825 0.1 . 1 . . . . 61 VAL CA . 18121 1 713 . 1 1 61 61 VAL CB C 13 32.241 0.1 . 1 . . . . 61 VAL CB . 18121 1 714 . 1 1 61 61 VAL CG1 C 13 21.174 0.1 . 2 . . . . 61 VAL CG1 . 18121 1 715 . 1 1 61 61 VAL CG2 C 13 20.802 0.1 . 2 . . . . 61 VAL CG2 . 18121 1 716 . 1 1 61 61 VAL N N 15 118.248 0.1 . 1 . . . . 61 VAL N . 18121 1 717 . 1 1 62 62 GLY H H 1 8.700 0.01 . 1 . . . . 62 GLY H . 18121 1 718 . 1 1 62 62 GLY HA2 H 1 3.706 0.01 . 2 . . . . 62 GLY HA2 . 18121 1 719 . 1 1 62 62 GLY HA3 H 1 4.128 0.01 . 2 . . . . 62 GLY HA3 . 18121 1 720 . 1 1 62 62 GLY CA C 13 45.600 0.1 . 1 . . . . 62 GLY CA . 18121 1 721 . 1 1 62 62 GLY N N 15 113.071 0.1 . 1 . . . . 62 GLY N . 18121 1 722 . 1 1 63 63 LEU H H 1 7.755 0.01 . 1 . . . . 63 LEU H . 18121 1 723 . 1 1 63 63 LEU HA H 1 4.496 0.01 . 1 . . . . 63 LEU HA . 18121 1 724 . 1 1 63 63 LEU HB2 H 1 1.310 0.01 . 2 . . . . 63 LEU HB2 . 18121 1 725 . 1 1 63 63 LEU HB3 H 1 1.441 0.01 . 2 . . . . 63 LEU HB3 . 18121 1 726 . 1 1 63 63 LEU HG H 1 1.398 0.01 . 1 . . . . 63 LEU HG . 18121 1 727 . 1 1 63 63 LEU HD11 H 1 0.491 0.01 . 2 . . . . 63 LEU QD1 . 18121 1 728 . 1 1 63 63 LEU HD12 H 1 0.491 0.01 . 2 . . . . 63 LEU QD1 . 18121 1 729 . 1 1 63 63 LEU HD13 H 1 0.491 0.01 . 2 . . . . 63 LEU QD1 . 18121 1 730 . 1 1 63 63 LEU HD21 H 1 0.542 0.01 . 2 . . . . 63 LEU QD2 . 18121 1 731 . 1 1 63 63 LEU HD22 H 1 0.542 0.01 . 2 . . . . 63 LEU QD2 . 18121 1 732 . 1 1 63 63 LEU HD23 H 1 0.542 0.01 . 2 . . . . 63 LEU QD2 . 18121 1 733 . 1 1 63 63 LEU CA C 13 55.397 0.1 . 1 . . . . 63 LEU CA . 18121 1 734 . 1 1 63 63 LEU CB C 13 43.030 0.1 . 1 . . . . 63 LEU CB . 18121 1 735 . 1 1 63 63 LEU CG C 13 26.767 0.1 . 1 . . . . 63 LEU CG . 18121 1 736 . 1 1 63 63 LEU CD1 C 13 24.619 0.1 . 2 . . . . 63 LEU CD1 . 18121 1 737 . 1 1 63 63 LEU CD2 C 13 25.209 0.1 . 2 . . . . 63 LEU CD2 . 18121 1 738 . 1 1 63 63 LEU N N 15 119.789 0.1 . 1 . . . . 63 LEU N . 18121 1 739 . 1 1 64 64 ARG H H 1 8.334 0.01 . 1 . . . . 64 ARG H . 18121 1 740 . 1 1 64 64 ARG HA H 1 4.849 0.01 . 1 . . . . 64 ARG HA . 18121 1 741 . 1 1 64 64 ARG HB2 H 1 1.743 0.01 . 2 . . . . 64 ARG HB2 . 18121 1 742 . 1 1 64 64 ARG HB3 H 1 1.914 0.01 . 2 . . . . 64 ARG HB3 . 18121 1 743 . 1 1 64 64 ARG HG2 H 1 1.681 0.01 . 2 . . . . 64 ARG QG . 18121 1 744 . 1 1 64 64 ARG HG3 H 1 1.681 0.01 . 2 . . . . 64 ARG QG . 18121 1 745 . 1 1 64 64 ARG HD2 H 1 3.209 0.01 . 2 . . . . 64 ARG QD . 18121 1 746 . 1 1 64 64 ARG HD3 H 1 3.209 0.01 . 2 . . . . 64 ARG QD . 18121 1 747 . 1 1 64 64 ARG C C 13 175.253 0.1 . 1 . . . . 64 ARG C . 18121 1 748 . 1 1 64 64 ARG CA C 13 54.665 0.1 . 1 . . . . 64 ARG CA . 18121 1 749 . 1 1 64 64 ARG CB C 13 33.017 0.1 . 1 . . . . 64 ARG CB . 18121 1 750 . 1 1 64 64 ARG CG C 13 26.881 0.1 . 1 . . . . 64 ARG CG . 18121 1 751 . 1 1 64 64 ARG CD C 13 43.378 0.1 . 1 . . . . 64 ARG CD . 18121 1 752 . 1 1 65 65 GLU H H 1 8.968 0.01 . 1 . . . . 65 GLU H . 18121 1 753 . 1 1 65 65 GLU HA H 1 4.518 0.01 . 1 . . . . 65 GLU HA . 18121 1 754 . 1 1 65 65 GLU HB2 H 1 2.054 0.01 . 2 . . . . 65 GLU HB2 . 18121 1 755 . 1 1 65 65 GLU HB3 H 1 2.110 0.01 . 2 . . . . 65 GLU HB3 . 18121 1 756 . 1 1 65 65 GLU HG2 H 1 2.326 0.01 . 2 . . . . 65 GLU QG . 18121 1 757 . 1 1 65 65 GLU HG3 H 1 2.326 0.01 . 2 . . . . 65 GLU QG . 18121 1 758 . 1 1 65 65 GLU C C 13 176.881 0.1 . 1 . . . . 65 GLU C . 18121 1 759 . 1 1 65 65 GLU CA C 13 56.744 0.1 . 1 . . . . 65 GLU CA . 18121 1 760 . 1 1 65 65 GLU CB C 13 30.643 0.1 . 1 . . . . 65 GLU CB . 18121 1 761 . 1 1 65 65 GLU CG C 13 36.168 0.1 . 1 . . . . 65 GLU CG . 18121 1 762 . 1 1 65 65 GLU N N 15 122.611 0.1 . 1 . . . . 65 GLU N . 18121 1 763 . 1 1 66 66 ILE H H 1 8.343 0.01 . 1 . . . . 66 ILE H . 18121 1 764 . 1 1 66 66 ILE HA H 1 4.195 0.01 . 1 . . . . 66 ILE HA . 18121 1 765 . 1 1 66 66 ILE HB H 1 1.794 0.01 . 1 . . . . 66 ILE HB . 18121 1 766 . 1 1 66 66 ILE HG12 H 1 1.146 0.01 . 2 . . . . 66 ILE HG12 . 18121 1 767 . 1 1 66 66 ILE HG13 H 1 1.466 0.01 . 2 . . . . 66 ILE HG13 . 18121 1 768 . 1 1 66 66 ILE HG21 H 1 0.861 0.01 . 1 . . . . 66 ILE QG2 . 18121 1 769 . 1 1 66 66 ILE HG22 H 1 0.861 0.01 . 1 . . . . 66 ILE QG2 . 18121 1 770 . 1 1 66 66 ILE HG23 H 1 0.861 0.01 . 1 . . . . 66 ILE QG2 . 18121 1 771 . 1 1 66 66 ILE HD11 H 1 0.832 0.01 . 1 . . . . 66 ILE QD1 . 18121 1 772 . 1 1 66 66 ILE HD12 H 1 0.832 0.01 . 1 . . . . 66 ILE QD1 . 18121 1 773 . 1 1 66 66 ILE HD13 H 1 0.832 0.01 . 1 . . . . 66 ILE QD1 . 18121 1 774 . 1 1 66 66 ILE C C 13 175.806 0.1 . 1 . . . . 66 ILE C . 18121 1 775 . 1 1 66 66 ILE CA C 13 61.020 0.1 . 1 . . . . 66 ILE CA . 18121 1 776 . 1 1 66 66 ILE CB C 13 38.821 0.1 . 1 . . . . 66 ILE CB . 18121 1 777 . 1 1 66 66 ILE CG1 C 13 27.549 0.1 . 1 . . . . 66 ILE CG1 . 18121 1 778 . 1 1 66 66 ILE CG2 C 13 17.489 0.1 . 1 . . . . 66 ILE CG2 . 18121 1 779 . 1 1 66 66 ILE CD1 C 13 13.449 0.1 . 1 . . . . 66 ILE CD1 . 18121 1 780 . 1 1 66 66 ILE N N 15 121.763 0.1 . 1 . . . . 66 ILE N . 18121 1 781 . 1 1 67 67 ILE H H 1 8.366 0.01 . 1 . . . . 67 ILE H . 18121 1 782 . 1 1 67 67 ILE HA H 1 4.297 0.01 . 1 . . . . 67 ILE HA . 18121 1 783 . 1 1 67 67 ILE HB H 1 1.885 0.01 . 1 . . . . 67 ILE HB . 18121 1 784 . 1 1 67 67 ILE HG12 H 1 1.193 0.01 . 2 . . . . 67 ILE HG12 . 18121 1 785 . 1 1 67 67 ILE HG13 H 1 1.476 0.01 . 2 . . . . 67 ILE HG13 . 18121 1 786 . 1 1 67 67 ILE HG21 H 1 0.918 0.01 . 1 . . . . 67 ILE QG2 . 18121 1 787 . 1 1 67 67 ILE HG22 H 1 0.918 0.01 . 1 . . . . 67 ILE QG2 . 18121 1 788 . 1 1 67 67 ILE HG23 H 1 0.918 0.01 . 1 . . . . 67 ILE QG2 . 18121 1 789 . 1 1 67 67 ILE HD11 H 1 0.857 0.01 . 1 . . . . 67 ILE QD1 . 18121 1 790 . 1 1 67 67 ILE HD12 H 1 0.857 0.01 . 1 . . . . 67 ILE QD1 . 18121 1 791 . 1 1 67 67 ILE HD13 H 1 0.857 0.01 . 1 . . . . 67 ILE QD1 . 18121 1 792 . 1 1 67 67 ILE C C 13 176.067 0.1 . 1 . . . . 67 ILE C . 18121 1 793 . 1 1 67 67 ILE CA C 13 60.793 0.1 . 1 . . . . 67 ILE CA . 18121 1 794 . 1 1 67 67 ILE CB C 13 38.768 0.1 . 1 . . . . 67 ILE CB . 18121 1 795 . 1 1 67 67 ILE CG1 C 13 27.141 0.1 . 1 . . . . 67 ILE CG1 . 18121 1 796 . 1 1 67 67 ILE CG2 C 13 17.544 0.1 . 1 . . . . 67 ILE CG2 . 18121 1 797 . 1 1 67 67 ILE CD1 C 13 12.707 0.1 . 1 . . . . 67 ILE CD1 . 18121 1 798 . 1 1 67 67 ILE N N 15 125.903 0.1 . 1 . . . . 67 ILE N . 18121 1 799 . 1 1 68 68 SER H H 1 8.482 0.01 . 1 . . . . 68 SER H . 18121 1 800 . 1 1 68 68 SER HA H 1 4.519 0.01 . 1 . . . . 68 SER HA . 18121 1 801 . 1 1 68 68 SER HB2 H 1 3.860 0.01 . 2 . . . . 68 SER QB . 18121 1 802 . 1 1 68 68 SER HB3 H 1 3.860 0.01 . 2 . . . . 68 SER QB . 18121 1 803 . 1 1 68 68 SER C C 13 174.472 0.1 . 1 . . . . 68 SER C . 18121 1 804 . 1 1 68 68 SER CA C 13 58.060 0.1 . 1 . . . . 68 SER CA . 18121 1 805 . 1 1 68 68 SER CB C 13 63.973 0.1 . 1 . . . . 68 SER CB . 18121 1 806 . 1 1 68 68 SER N N 15 120.578 0.1 . 1 . . . . 68 SER N . 18121 1 807 . 1 1 69 69 GLU H H 1 8.613 0.01 . 1 . . . . 69 GLU H . 18121 1 808 . 1 1 69 69 GLU HA H 1 4.348 0.01 . 1 . . . . 69 GLU HA . 18121 1 809 . 1 1 69 69 GLU HB2 H 1 1.937 0.01 . 2 . . . . 69 GLU HB2 . 18121 1 810 . 1 1 69 69 GLU HB3 H 1 2.120 0.01 . 2 . . . . 69 GLU HB3 . 18121 1 811 . 1 1 69 69 GLU HG2 H 1 2.276 0.01 . 2 . . . . 69 GLU QG . 18121 1 812 . 1 1 69 69 GLU HG3 H 1 2.276 0.01 . 2 . . . . 69 GLU QG . 18121 1 813 . 1 1 69 69 GLU C C 13 176.227 0.1 . 1 . . . . 69 GLU C . 18121 1 814 . 1 1 69 69 GLU CA C 13 56.708 0.1 . 1 . . . . 69 GLU CA . 18121 1 815 . 1 1 69 69 GLU CB C 13 30.589 0.1 . 1 . . . . 69 GLU CB . 18121 1 816 . 1 1 69 69 GLU CG C 13 36.259 0.1 . 1 . . . . 69 GLU CG . 18121 1 817 . 1 1 69 69 GLU N N 15 123.469 0.1 . 1 . . . . 69 GLU N . 18121 1 818 . 1 1 70 70 GLU H H 1 8.328 0.01 . 1 . . . . 70 GLU H . 18121 1 819 . 1 1 70 70 GLU HA H 1 4.347 0.01 . 1 . . . . 70 GLU HA . 18121 1 820 . 1 1 70 70 GLU HB2 H 1 1.893 0.01 . 2 . . . . 70 GLU HB2 . 18121 1 821 . 1 1 70 70 GLU HB3 H 1 2.105 0.01 . 2 . . . . 70 GLU HB3 . 18121 1 822 . 1 1 70 70 GLU HG2 H 1 2.259 0.01 . 2 . . . . 70 GLU QG . 18121 1 823 . 1 1 70 70 GLU HG3 H 1 2.259 0.01 . 2 . . . . 70 GLU QG . 18121 1 824 . 1 1 70 70 GLU C C 13 175.368 0.1 . 1 . . . . 70 GLU C . 18121 1 825 . 1 1 70 70 GLU CA C 13 56.387 0.1 . 1 . . . . 70 GLU CA . 18121 1 826 . 1 1 70 70 GLU CB C 13 30.671 0.1 . 1 . . . . 70 GLU CB . 18121 1 827 . 1 1 70 70 GLU CG C 13 36.259 0.1 . 1 . . . . 70 GLU CG . 18121 1 828 . 1 1 70 70 GLU N N 15 121.351 0.1 . 1 . . . . 70 GLU N . 18121 1 829 . 1 1 71 71 ASP H H 1 7.964 0.01 . 1 . . . . 71 ASP H . 18121 1 830 . 1 1 71 71 ASP HA H 1 4.378 0.01 . 1 . . . . 71 ASP HA . 18121 1 831 . 1 1 71 71 ASP HB2 H 1 2.564 0.01 . 2 . . . . 71 ASP HB2 . 18121 1 832 . 1 1 71 71 ASP HB3 H 1 2.668 0.01 . 2 . . . . 71 ASP HB3 . 18121 1 833 . 1 1 71 71 ASP CA C 13 56.082 0.1 . 1 . . . . 71 ASP CA . 18121 1 834 . 1 1 71 71 ASP CB C 13 42.232 0.1 . 1 . . . . 71 ASP CB . 18121 1 835 . 1 1 71 71 ASP N N 15 126.978 0.1 . 1 . . . . 71 ASP N . 18121 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18121 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '1H, 13C and 15N chemical shifts for backbone atoms at 15 C.' _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 20 '2D 1H-15N HSQC' . . . 18121 2 21 '3D HNCO' . . . 18121 2 22 '3D HNCA' . . . 18121 2 23 '3D HNCACB' . . . 18121 2 24 '3D CBCA(CO)NH' . . . 18121 2 25 '3D HBHA(CO)NH' . . . 18121 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.982 0.01 . 2 . . . . 2 GLY QA . 18121 2 2 . 1 1 2 2 GLY HA3 H 1 3.982 0.01 . 2 . . . . 2 GLY QA . 18121 2 3 . 1 1 2 2 GLY CA C 13 45.135 0.1 . 1 . . . . 2 GLY CA . 18121 2 4 . 1 1 3 3 HIS H H 1 8.473 0.01 . 1 . . . . 3 HIS H . 18121 2 5 . 1 1 3 3 HIS HA H 1 4.659 0.01 . 1 . . . . 3 HIS HA . 18121 2 6 . 1 1 3 3 HIS HB2 H 1 3.090 0.01 . 2 . . . . 3 HIS HB2 . 18121 2 7 . 1 1 3 3 HIS HB3 H 1 3.130 0.01 . 2 . . . . 3 HIS HB3 . 18121 2 8 . 1 1 3 3 HIS C C 13 175.304 0.1 . 1 . . . . 3 HIS C . 18121 2 9 . 1 1 3 3 HIS CA C 13 56.261 0.1 . 1 . . . . 3 HIS CA . 18121 2 10 . 1 1 3 3 HIS CB C 13 30.601 0.1 . 1 . . . . 3 HIS CB . 18121 2 11 . 1 1 3 3 HIS N N 15 119.620 0.1 . 1 . . . . 3 HIS N . 18121 2 12 . 1 1 4 4 MET H H 1 8.489 0.01 . 1 . . . . 4 MET H . 18121 2 13 . 1 1 4 4 MET HA H 1 4.464 0.01 . 1 . . . . 4 MET HA . 18121 2 14 . 1 1 4 4 MET HB2 H 1 1.980 0.01 . 2 . . . . 4 MET HB2 . 18121 2 15 . 1 1 4 4 MET HB3 H 1 2.054 0.01 . 2 . . . . 4 MET HB3 . 18121 2 16 . 1 1 4 4 MET C C 13 175.865 0.1 . 1 . . . . 4 MET C . 18121 2 17 . 1 1 4 4 MET CA C 13 55.463 0.1 . 1 . . . . 4 MET CA . 18121 2 18 . 1 1 4 4 MET CB C 13 32.801 0.1 . 1 . . . . 4 MET CB . 18121 2 19 . 1 1 4 4 MET N N 15 122.289 0.1 . 1 . . . . 4 MET N . 18121 2 20 . 1 1 5 5 GLN H H 1 8.604 0.01 . 1 . . . . 5 GLN H . 18121 2 21 . 1 1 5 5 GLN HA H 1 4.374 0.01 . 1 . . . . 5 GLN HA . 18121 2 22 . 1 1 5 5 GLN HB2 H 1 1.975 0.01 . 2 . . . . 5 GLN HB2 . 18121 2 23 . 1 1 5 5 GLN HB3 H 1 2.054 0.01 . 2 . . . . 5 GLN HB3 . 18121 2 24 . 1 1 5 5 GLN HE21 H 1 6.931 0.01 . 2 . . . . 5 GLN HE21 . 18121 2 25 . 1 1 5 5 GLN HE22 H 1 7.549 0.01 . 2 . . . . 5 GLN HE22 . 18121 2 26 . 1 1 5 5 GLN C C 13 175.837 0.1 . 1 . . . . 5 GLN C . 18121 2 27 . 1 1 5 5 GLN CA C 13 55.870 0.1 . 1 . . . . 5 GLN CA . 18121 2 28 . 1 1 5 5 GLN CB C 13 29.552 0.1 . 1 . . . . 5 GLN CB . 18121 2 29 . 1 1 5 5 GLN CG C 13 33.671 0.1 . 1 . . . . 5 GLN CG . 18121 2 30 . 1 1 5 5 GLN N N 15 122.842 0.1 . 1 . . . . 5 GLN N . 18121 2 31 . 1 1 5 5 GLN NE2 N 15 112.507 0.1 . 1 . . . . 5 GLN NE2 . 18121 2 32 . 1 1 6 6 THR H H 1 8.313 0.01 . 1 . . . . 6 THR H . 18121 2 33 . 1 1 6 6 THR HA H 1 4.285 0.01 . 1 . . . . 6 THR HA . 18121 2 34 . 1 1 6 6 THR HB H 1 4.176 0.01 . 1 . . . . 6 THR HB . 18121 2 35 . 1 1 6 6 THR C C 13 173.972 0.1 . 1 . . . . 6 THR C . 18121 2 36 . 1 1 6 6 THR CA C 13 61.912 0.1 . 1 . . . . 6 THR CA . 18121 2 37 . 1 1 6 6 THR CB C 13 69.894 0.1 . 1 . . . . 6 THR CB . 18121 2 38 . 1 1 6 6 THR N N 15 116.334 0.1 . 1 . . . . 6 THR N . 18121 2 39 . 1 1 7 7 SER H H 1 8.132 0.01 . 1 . . . . 7 SER H . 18121 2 40 . 1 1 7 7 SER HA H 1 4.476 0.01 . 1 . . . . 7 SER HA . 18121 2 41 . 1 1 7 7 SER HB2 H 1 3.783 0.01 . 2 . . . . 7 SER QB . 18121 2 42 . 1 1 7 7 SER HB3 H 1 3.783 0.01 . 2 . . . . 7 SER QB . 18121 2 43 . 1 1 7 7 SER C C 13 172.823 0.1 . 1 . . . . 7 SER C . 18121 2 44 . 1 1 7 7 SER CA C 13 57.891 0.1 . 1 . . . . 7 SER CA . 18121 2 45 . 1 1 7 7 SER CB C 13 64.345 0.1 . 1 . . . . 7 SER CB . 18121 2 46 . 1 1 7 7 SER N N 15 118.332 0.1 . 1 . . . . 7 SER N . 18121 2 47 . 1 1 8 8 PHE H H 1 7.663 0.01 . 1 . . . . 8 PHE H . 18121 2 48 . 1 1 8 8 PHE C C 13 174.345 0.1 . 1 . . . . 8 PHE C . 18121 2 49 . 1 1 8 8 PHE CA C 13 57.553 0.1 . 1 . . . . 8 PHE CA . 18121 2 50 . 1 1 8 8 PHE CB C 13 41.984 0.1 . 1 . . . . 8 PHE CB . 18121 2 51 . 1 1 8 8 PHE N N 15 119.702 0.1 . 1 . . . . 8 PHE N . 18121 2 52 . 1 1 9 9 LYS H H 1 9.098 0.01 . 1 . . . . 9 LYS H . 18121 2 53 . 1 1 9 9 LYS HA H 1 4.714 0.01 . 1 . . . . 9 LYS HA . 18121 2 54 . 1 1 9 9 LYS HB2 H 1 1.840 0.01 . 2 . . . . 9 LYS QB . 18121 2 55 . 1 1 9 9 LYS HB3 H 1 1.840 0.01 . 2 . . . . 9 LYS QB . 18121 2 56 . 1 1 9 9 LYS C C 13 175.671 0.1 . 1 . . . . 9 LYS C . 18121 2 57 . 1 1 9 9 LYS CA C 13 54.072 0.1 . 1 . . . . 9 LYS CA . 18121 2 58 . 1 1 9 9 LYS CB C 13 35.377 0.1 . 1 . . . . 9 LYS CB . 18121 2 59 . 1 1 9 9 LYS N N 15 121.152 0.1 . 1 . . . . 9 LYS N . 18121 2 60 . 1 1 10 10 THR H H 1 8.439 0.01 . 1 . . . . 10 THR H . 18121 2 61 . 1 1 10 10 THR HA H 1 3.654 0.01 . 1 . . . . 10 THR HA . 18121 2 62 . 1 1 10 10 THR C C 13 175.699 0.1 . 1 . . . . 10 THR C . 18121 2 63 . 1 1 10 10 THR CA C 13 65.571 0.1 . 1 . . . . 10 THR CA . 18121 2 64 . 1 1 10 10 THR CB C 13 68.656 0.1 . 1 . . . . 10 THR CB . 18121 2 65 . 1 1 10 10 THR N N 15 117.002 0.1 . 1 . . . . 10 THR N . 18121 2 66 . 1 1 11 11 GLY H H 1 9.458 0.01 . 1 . . . . 11 GLY H . 18121 2 67 . 1 1 11 11 GLY HA2 H 1 3.885 0.01 . 2 . . . . 11 GLY HA2 . 18121 2 68 . 1 1 11 11 GLY HA3 H 1 4.516 0.01 . 2 . . . . 11 GLY HA3 . 18121 2 69 . 1 1 11 11 GLY C C 13 174.886 0.1 . 1 . . . . 11 GLY C . 18121 2 70 . 1 1 11 11 GLY CA C 13 44.823 0.1 . 1 . . . . 11 GLY CA . 18121 2 71 . 1 1 11 11 GLY N N 15 117.451 0.1 . 1 . . . . 11 GLY N . 18121 2 72 . 1 1 12 12 ASP H H 1 8.287 0.01 . 1 . . . . 12 ASP H . 18121 2 73 . 1 1 12 12 ASP C C 13 175.266 0.1 . 1 . . . . 12 ASP C . 18121 2 74 . 1 1 12 12 ASP CA C 13 55.428 0.1 . 1 . . . . 12 ASP CA . 18121 2 75 . 1 1 12 12 ASP CB C 13 41.679 0.1 . 1 . . . . 12 ASP CB . 18121 2 76 . 1 1 12 12 ASP N N 15 122.138 0.1 . 1 . . . . 12 ASP N . 18121 2 77 . 1 1 13 13 LYS H H 1 8.574 0.01 . 1 . . . . 13 LYS H . 18121 2 78 . 1 1 13 13 LYS HA H 1 5.418 0.01 . 1 . . . . 13 LYS HA . 18121 2 79 . 1 1 13 13 LYS C C 13 175.713 0.1 . 1 . . . . 13 LYS C . 18121 2 80 . 1 1 13 13 LYS CA C 13 54.572 0.1 . 1 . . . . 13 LYS CA . 18121 2 81 . 1 1 13 13 LYS CB C 13 34.938 0.1 . 1 . . . . 13 LYS CB . 18121 2 82 . 1 1 13 13 LYS N N 15 118.579 0.1 . 1 . . . . 13 LYS N . 18121 2 83 . 1 1 14 14 ALA H H 1 8.772 0.01 . 1 . . . . 14 ALA H . 18121 2 84 . 1 1 14 14 ALA HA H 1 4.723 0.01 . 1 . . . . 14 ALA HA . 18121 2 85 . 1 1 14 14 ALA HB1 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2 86 . 1 1 14 14 ALA HB2 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2 87 . 1 1 14 14 ALA HB3 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2 88 . 1 1 14 14 ALA C C 13 175.011 0.1 . 1 . . . . 14 ALA C . 18121 2 89 . 1 1 14 14 ALA CA C 13 50.933 0.1 . 1 . . . . 14 ALA CA . 18121 2 90 . 1 1 14 14 ALA CB C 13 23.212 0.1 . 1 . . . . 14 ALA CB . 18121 2 91 . 1 1 14 14 ALA N N 15 122.007 0.1 . 1 . . . . 14 ALA N . 18121 2 92 . 1 1 15 15 VAL H H 1 9.009 0.01 . 1 . . . . 15 VAL H . 18121 2 93 . 1 1 15 15 VAL C C 13 174.760 0.1 . 1 . . . . 15 VAL C . 18121 2 94 . 1 1 15 15 VAL CA C 13 61.679 0.1 . 1 . . . . 15 VAL CA . 18121 2 95 . 1 1 15 15 VAL N N 15 119.530 0.1 . 1 . . . . 15 VAL N . 18121 2 96 . 1 1 16 16 TYR H H 1 8.574 0.01 . 1 . . . . 16 TYR H . 18121 2 97 . 1 1 16 16 TYR CA C 13 53.998 0.1 . 1 . . . . 16 TYR CA . 18121 2 98 . 1 1 16 16 TYR N N 15 130.370 0.1 . 1 . . . . 16 TYR N . 18121 2 99 . 1 1 18 18 GLY H H 1 8.023 0.01 . 1 . . . . 18 GLY H . 18121 2 100 . 1 1 18 18 GLY HA2 H 1 3.691 0.01 . 2 . . . . 18 GLY HA2 . 18121 2 101 . 1 1 18 18 GLY C C 13 174.371 0.1 . 1 . . . . 18 GLY C . 18121 2 102 . 1 1 18 18 GLY CA C 13 45.486 0.1 . 1 . . . . 18 GLY CA . 18121 2 103 . 1 1 18 18 GLY N N 15 109.494 0.1 . 1 . . . . 18 GLY N . 18121 2 104 . 1 1 19 19 GLN H H 1 8.285 0.01 . 1 . . . . 19 GLN H . 18121 2 105 . 1 1 19 19 GLN HE21 H 1 6.653 0.01 . 2 . . . . 19 GLN HE21 . 18121 2 106 . 1 1 19 19 GLN HE22 H 1 7.407 0.01 . 2 . . . . 19 GLN HE22 . 18121 2 107 . 1 1 19 19 GLN C C 13 175.670 0.1 . 1 . . . . 19 GLN C . 18121 2 108 . 1 1 19 19 GLN CA C 13 55.370 0.1 . 1 . . . . 19 GLN CA . 18121 2 109 . 1 1 19 19 GLN CB C 13 30.833 0.1 . 1 . . . . 19 GLN CB . 18121 2 110 . 1 1 19 19 GLN N N 15 116.740 0.1 . 1 . . . . 19 GLN N . 18121 2 111 . 1 1 19 19 GLN NE2 N 15 110.735 0.1 . 1 . . . . 19 GLN NE2 . 18121 2 112 . 1 1 20 20 GLY H H 1 8.247 0.01 . 1 . . . . 20 GLY H . 18121 2 113 . 1 1 20 20 GLY C C 13 172.792 0.1 . 1 . . . . 20 GLY C . 18121 2 114 . 1 1 20 20 GLY CA C 13 44.313 0.1 . 1 . . . . 20 GLY CA . 18121 2 115 . 1 1 20 20 GLY N N 15 106.913 0.1 . 1 . . . . 20 GLY N . 18121 2 116 . 1 1 21 21 VAL H H 1 8.342 0.01 . 1 . . . . 21 VAL H . 18121 2 117 . 1 1 21 21 VAL HA H 1 4.225 0.01 . 1 . . . . 21 VAL HA . 18121 2 118 . 1 1 21 21 VAL C C 13 176.486 0.1 . 1 . . . . 21 VAL C . 18121 2 119 . 1 1 21 21 VAL CA C 13 63.618 0.1 . 1 . . . . 21 VAL CA . 18121 2 120 . 1 1 21 21 VAL N N 15 119.593 0.1 . 1 . . . . 21 VAL N . 18121 2 121 . 1 1 22 22 GLY H H 1 9.492 0.01 . 1 . . . . 22 GLY H . 18121 2 122 . 1 1 22 22 GLY C C 13 170.211 0.1 . 1 . . . . 22 GLY C . 18121 2 123 . 1 1 22 22 GLY CA C 13 44.800 0.1 . 1 . . . . 22 GLY CA . 18121 2 124 . 1 1 22 22 GLY N N 15 115.093 0.1 . 1 . . . . 22 GLY N . 18121 2 125 . 1 1 23 23 GLU H H 1 8.780 0.01 . 1 . . . . 23 GLU H . 18121 2 126 . 1 1 23 23 GLU HA H 1 5.123 0.01 . 1 . . . . 23 GLU HA . 18121 2 127 . 1 1 23 23 GLU C C 13 176.127 0.1 . 1 . . . . 23 GLU C . 18121 2 128 . 1 1 23 23 GLU CA C 13 53.449 0.1 . 1 . . . . 23 GLU CA . 18121 2 129 . 1 1 23 23 GLU CB C 13 33.740 0.1 . 1 . . . . 23 GLU CB . 18121 2 130 . 1 1 23 23 GLU N N 15 119.014 0.1 . 1 . . . . 23 GLU N . 18121 2 131 . 1 1 24 24 VAL H H 1 9.282 0.01 . 1 . . . . 24 VAL H . 18121 2 132 . 1 1 24 24 VAL C C 13 176.626 0.1 . 1 . . . . 24 VAL C . 18121 2 133 . 1 1 24 24 VAL CA C 13 63.541 0.1 . 1 . . . . 24 VAL CA . 18121 2 134 . 1 1 24 24 VAL N N 15 126.960 0.1 . 1 . . . . 24 VAL N . 18121 2 135 . 1 1 25 25 MET H H 1 9.663 0.01 . 1 . . . . 25 MET H . 18121 2 136 . 1 1 25 25 MET C C 13 176.651 0.1 . 1 . . . . 25 MET C . 18121 2 137 . 1 1 25 25 MET CA C 13 54.509 0.1 . 1 . . . . 25 MET CA . 18121 2 138 . 1 1 25 25 MET CB C 13 31.244 0.1 . 1 . . . . 25 MET CB . 18121 2 139 . 1 1 25 25 MET N N 15 128.652 0.1 . 1 . . . . 25 MET N . 18121 2 140 . 1 1 26 26 GLY H H 1 7.428 0.01 . 1 . . . . 26 GLY H . 18121 2 141 . 1 1 26 26 GLY HA2 H 1 4.026 0.01 . 2 . . . . 26 GLY HA2 . 18121 2 142 . 1 1 26 26 GLY HA3 H 1 4.361 0.01 . 2 . . . . 26 GLY HA3 . 18121 2 143 . 1 1 26 26 GLY C C 13 170.412 0.1 . 1 . . . . 26 GLY C . 18121 2 144 . 1 1 26 26 GLY CA C 13 44.503 0.1 . 1 . . . . 26 GLY CA . 18121 2 145 . 1 1 26 26 GLY N N 15 105.798 0.1 . 1 . . . . 26 GLY N . 18121 2 146 . 1 1 27 27 ILE H H 1 8.228 0.01 . 1 . . . . 27 ILE H . 18121 2 147 . 1 1 27 27 ILE HA H 1 4.959 0.01 . 1 . . . . 27 ILE HA . 18121 2 148 . 1 1 27 27 ILE C C 13 175.714 0.1 . 1 . . . . 27 ILE C . 18121 2 149 . 1 1 27 27 ILE CA C 13 59.862 0.1 . 1 . . . . 27 ILE CA . 18121 2 150 . 1 1 27 27 ILE CB C 13 40.332 0.1 . 1 . . . . 27 ILE CB . 18121 2 151 . 1 1 27 27 ILE N N 15 120.026 0.1 . 1 . . . . 27 ILE N . 18121 2 152 . 1 1 28 28 GLU H H 1 8.928 0.01 . 1 . . . . 28 GLU H . 18121 2 153 . 1 1 28 28 GLU C C 13 174.324 0.1 . 1 . . . . 28 GLU C . 18121 2 154 . 1 1 28 28 GLU CA C 13 54.158 0.1 . 1 . . . . 28 GLU CA . 18121 2 155 . 1 1 28 28 GLU N N 15 126.984 0.1 . 1 . . . . 28 GLU N . 18121 2 156 . 1 1 29 29 HIS H H 1 8.707 0.01 . 1 . . . . 29 HIS H . 18121 2 157 . 1 1 29 29 HIS C C 13 175.792 0.1 . 1 . . . . 29 HIS C . 18121 2 158 . 1 1 29 29 HIS CA C 13 54.780 0.1 . 1 . . . . 29 HIS CA . 18121 2 159 . 1 1 29 29 HIS N N 15 121.396 0.1 . 1 . . . . 29 HIS N . 18121 2 160 . 1 1 30 30 THR H H 1 9.157 0.01 . 1 . . . . 30 THR H . 18121 2 161 . 1 1 30 30 THR C C 13 174.666 0.1 . 1 . . . . 30 THR C . 18121 2 162 . 1 1 30 30 THR CA C 13 60.318 0.1 . 1 . . . . 30 THR CA . 18121 2 163 . 1 1 30 30 THR CB C 13 71.583 0.1 . 1 . . . . 30 THR CB . 18121 2 164 . 1 1 30 30 THR N N 15 116.323 0.1 . 1 . . . . 30 THR N . 18121 2 165 . 1 1 31 31 GLU H H 1 8.681 0.01 . 1 . . . . 31 GLU H . 18121 2 166 . 1 1 31 31 GLU HA H 1 4.941 0.01 . 1 . . . . 31 GLU HA . 18121 2 167 . 1 1 31 31 GLU HB2 H 1 1.872 0.01 . 2 . . . . 31 GLU QB . 18121 2 168 . 1 1 31 31 GLU HB3 H 1 1.872 0.01 . 2 . . . . 31 GLU QB . 18121 2 169 . 1 1 31 31 GLU C C 13 175.505 0.1 . 1 . . . . 31 GLU C . 18121 2 170 . 1 1 31 31 GLU CA C 13 55.832 0.1 . 1 . . . . 31 GLU CA . 18121 2 171 . 1 1 31 31 GLU CB C 13 31.553 0.1 . 1 . . . . 31 GLU CB . 18121 2 172 . 1 1 31 31 GLU N N 15 123.476 0.1 . 1 . . . . 31 GLU N . 18121 2 173 . 1 1 32 32 VAL H H 1 8.671 0.01 . 1 . . . . 32 VAL H . 18121 2 174 . 1 1 32 32 VAL C C 13 174.162 0.1 . 1 . . . . 32 VAL C . 18121 2 175 . 1 1 32 32 VAL CA C 13 61.972 0.1 . 1 . . . . 32 VAL CA . 18121 2 176 . 1 1 32 32 VAL CB C 13 34.436 0.1 . 1 . . . . 32 VAL CB . 18121 2 177 . 1 1 32 32 VAL N N 15 125.703 0.1 . 1 . . . . 32 VAL N . 18121 2 178 . 1 1 33 33 ALA H H 1 9.298 0.01 . 1 . . . . 33 ALA H . 18121 2 179 . 1 1 33 33 ALA C C 13 177.496 0.1 . 1 . . . . 33 ALA C . 18121 2 180 . 1 1 33 33 ALA CA C 13 52.976 0.1 . 1 . . . . 33 ALA CA . 18121 2 181 . 1 1 33 33 ALA CB C 13 17.227 0.1 . 1 . . . . 33 ALA CB . 18121 2 182 . 1 1 33 33 ALA N N 15 131.327 0.1 . 1 . . . . 33 ALA N . 18121 2 183 . 1 1 34 34 GLY H H 1 8.697 0.01 . 1 . . . . 34 GLY H . 18121 2 184 . 1 1 34 34 GLY HA2 H 1 3.678 0.01 . 2 . . . . 34 GLY HA2 . 18121 2 185 . 1 1 34 34 GLY HA3 H 1 4.145 0.01 . 2 . . . . 34 GLY HA3 . 18121 2 186 . 1 1 34 34 GLY C C 13 173.891 0.1 . 1 . . . . 34 GLY C . 18121 2 187 . 1 1 34 34 GLY CA C 13 45.462 0.1 . 1 . . . . 34 GLY CA . 18121 2 188 . 1 1 34 34 GLY N N 15 104.042 0.1 . 1 . . . . 34 GLY N . 18121 2 189 . 1 1 35 35 GLN H H 1 7.933 0.01 . 1 . . . . 35 GLN H . 18121 2 190 . 1 1 35 35 GLN HE21 H 1 6.938 0.01 . 2 . . . . 35 GLN HE21 . 18121 2 191 . 1 1 35 35 GLN HE22 H 1 7.637 0.01 . 2 . . . . 35 GLN HE22 . 18121 2 192 . 1 1 35 35 GLN C C 13 174.808 0.1 . 1 . . . . 35 GLN C . 18121 2 193 . 1 1 35 35 GLN CA C 13 53.968 0.1 . 1 . . . . 35 GLN CA . 18121 2 194 . 1 1 35 35 GLN CB C 13 30.834 0.1 . 1 . . . . 35 GLN CB . 18121 2 195 . 1 1 35 35 GLN CG C 13 33.582 0.1 . 1 . . . . 35 GLN CG . 18121 2 196 . 1 1 35 35 GLN N N 15 119.624 0.1 . 1 . . . . 35 GLN N . 18121 2 197 . 1 1 35 35 GLN NE2 N 15 112.725 0.1 . 1 . . . . 35 GLN NE2 . 18121 2 198 . 1 1 36 36 ARG H H 1 8.850 0.01 . 1 . . . . 36 ARG H . 18121 2 199 . 1 1 36 36 ARG HE H 1 7.199 0.01 . 1 . . . . 36 ARG HE . 18121 2 200 . 1 1 36 36 ARG C C 13 176.051 0.1 . 1 . . . . 36 ARG C . 18121 2 201 . 1 1 36 36 ARG CA C 13 56.596 0.1 . 1 . . . . 36 ARG CA . 18121 2 202 . 1 1 36 36 ARG CB C 13 30.892 0.1 . 1 . . . . 36 ARG CB . 18121 2 203 . 1 1 36 36 ARG CG C 13 27.521 0.1 . 1 . . . . 36 ARG CG . 18121 2 204 . 1 1 36 36 ARG CD C 13 43.323 0.1 . 1 . . . . 36 ARG CD . 18121 2 205 . 1 1 36 36 ARG CZ C 13 159.361 0.1 . 1 . . . . 36 ARG CZ . 18121 2 206 . 1 1 36 36 ARG N N 15 126.285 0.1 . 1 . . . . 36 ARG N . 18121 2 207 . 1 1 36 36 ARG NE N 15 84.206 0.1 . 1 . . . . 36 ARG NE . 18121 2 208 . 1 1 37 37 GLN H H 1 8.916 0.01 . 1 . . . . 37 GLN H . 18121 2 209 . 1 1 37 37 GLN HE21 H 1 6.892 0.01 . 2 . . . . 37 GLN HE21 . 18121 2 210 . 1 1 37 37 GLN HE22 H 1 7.390 0.01 . 2 . . . . 37 GLN HE22 . 18121 2 211 . 1 1 37 37 GLN C C 13 174.560 0.1 . 1 . . . . 37 GLN C . 18121 2 212 . 1 1 37 37 GLN CA C 13 54.853 0.1 . 1 . . . . 37 GLN CA . 18121 2 213 . 1 1 37 37 GLN N N 15 126.190 0.1 . 1 . . . . 37 GLN N . 18121 2 214 . 1 1 37 37 GLN NE2 N 15 111.988 0.1 . 1 . . . . 37 GLN NE2 . 18121 2 215 . 1 1 38 38 SER H H 1 8.365 0.01 . 1 . . . . 38 SER H . 18121 2 216 . 1 1 38 38 SER C C 13 173.615 0.1 . 1 . . . . 38 SER C . 18121 2 217 . 1 1 38 38 SER CA C 13 58.181 0.1 . 1 . . . . 38 SER CA . 18121 2 218 . 1 1 38 38 SER CB C 13 64.783 0.1 . 1 . . . . 38 SER CB . 18121 2 219 . 1 1 38 38 SER N N 15 118.314 0.1 . 1 . . . . 38 SER N . 18121 2 220 . 1 1 39 39 PHE H H 1 9.164 0.01 . 1 . . . . 39 PHE H . 18121 2 221 . 1 1 39 39 PHE C C 13 175.889 0.1 . 1 . . . . 39 PHE C . 18121 2 222 . 1 1 39 39 PHE CA C 13 56.546 0.1 . 1 . . . . 39 PHE CA . 18121 2 223 . 1 1 39 39 PHE N N 15 121.604 0.1 . 1 . . . . 39 PHE N . 18121 2 224 . 1 1 40 40 TYR H H 1 9.290 0.01 . 1 . . . . 40 TYR H . 18121 2 225 . 1 1 40 40 TYR CA C 13 58.589 0.1 . 1 . . . . 40 TYR CA . 18121 2 226 . 1 1 40 40 TYR N N 15 119.784 0.1 . 1 . . . . 40 TYR N . 18121 2 227 . 1 1 41 41 VAL H H 1 8.558 0.01 . 1 . . . . 41 VAL H . 18121 2 228 . 1 1 41 41 VAL N N 15 118.085 0.1 . 1 . . . . 41 VAL N . 18121 2 229 . 1 1 42 42 LEU C C 13 174.421 0.1 . 1 . . . . 42 LEU C . 18121 2 230 . 1 1 43 43 ARG H H 1 9.067 0.01 . 1 . . . . 43 ARG H . 18121 2 231 . 1 1 43 43 ARG HA H 1 5.074 0.01 . 1 . . . . 43 ARG HA . 18121 2 232 . 1 1 43 43 ARG HE H 1 7.156 0.01 . 1 . . . . 43 ARG HE . 18121 2 233 . 1 1 43 43 ARG C C 13 175.843 0.1 . 1 . . . . 43 ARG C . 18121 2 234 . 1 1 43 43 ARG CA C 13 53.885 0.1 . 1 . . . . 43 ARG CA . 18121 2 235 . 1 1 43 43 ARG CD C 13 43.470 0.1 . 1 . . . . 43 ARG CD . 18121 2 236 . 1 1 43 43 ARG CZ C 13 159.420 0.1 . 1 . . . . 43 ARG CZ . 18121 2 237 . 1 1 43 43 ARG N N 15 127.315 0.1 . 1 . . . . 43 ARG N . 18121 2 238 . 1 1 43 43 ARG NE N 15 83.222 0.1 . 1 . . . . 43 ARG NE . 18121 2 239 . 1 1 44 44 ILE H H 1 9.394 0.01 . 1 . . . . 44 ILE H . 18121 2 240 . 1 1 44 44 ILE C C 13 177.914 0.1 . 1 . . . . 44 ILE C . 18121 2 241 . 1 1 44 44 ILE CA C 13 59.253 0.1 . 1 . . . . 44 ILE CA . 18121 2 242 . 1 1 44 44 ILE N N 15 130.159 0.1 . 1 . . . . 44 ILE N . 18121 2 243 . 1 1 45 45 LEU H H 1 8.555 0.01 . 1 . . . . 45 LEU H . 18121 2 244 . 1 1 45 45 LEU C C 13 180.548 0.1 . 1 . . . . 45 LEU C . 18121 2 245 . 1 1 45 45 LEU CA C 13 58.618 0.1 . 1 . . . . 45 LEU CA . 18121 2 246 . 1 1 45 45 LEU CB C 13 41.048 0.1 . 1 . . . . 45 LEU CB . 18121 2 247 . 1 1 45 45 LEU N N 15 128.400 0.1 . 1 . . . . 45 LEU N . 18121 2 248 . 1 1 46 46 GLU H H 1 8.825 0.01 . 1 . . . . 46 GLU H . 18121 2 249 . 1 1 46 46 GLU C C 13 176.595 0.1 . 1 . . . . 46 GLU C . 18121 2 250 . 1 1 46 46 GLU CA C 13 59.327 0.1 . 1 . . . . 46 GLU CA . 18121 2 251 . 1 1 46 46 GLU CB C 13 30.213 0.1 . 1 . . . . 46 GLU CB . 18121 2 252 . 1 1 46 46 GLU N N 15 116.766 0.1 . 1 . . . . 46 GLU N . 18121 2 253 . 1 1 47 47 ASN H H 1 6.655 0.01 . 1 . . . . 47 ASN H . 18121 2 254 . 1 1 47 47 ASN HD21 H 1 6.845 0.01 . 2 . . . . 47 ASN HD21 . 18121 2 255 . 1 1 47 47 ASN HD22 H 1 7.503 0.01 . 2 . . . . 47 ASN HD22 . 18121 2 256 . 1 1 47 47 ASN C C 13 176.832 0.1 . 1 . . . . 47 ASN C . 18121 2 257 . 1 1 47 47 ASN CA C 13 52.007 0.1 . 1 . . . . 47 ASN CA . 18121 2 258 . 1 1 47 47 ASN CB C 13 40.066 0.1 . 1 . . . . 47 ASN CB . 18121 2 259 . 1 1 47 47 ASN N N 15 109.037 0.1 . 1 . . . . 47 ASN N . 18121 2 260 . 1 1 47 47 ASN ND2 N 15 110.530 0.1 . 1 . . . . 47 ASN ND2 . 18121 2 261 . 1 1 48 48 GLY H H 1 8.308 0.01 . 1 . . . . 48 GLY H . 18121 2 262 . 1 1 48 48 GLY C C 13 174.104 0.1 . 1 . . . . 48 GLY C . 18121 2 263 . 1 1 48 48 GLY CA C 13 46.315 0.1 . 1 . . . . 48 GLY CA . 18121 2 264 . 1 1 48 48 GLY N N 15 110.391 0.1 . 1 . . . . 48 GLY N . 18121 2 265 . 1 1 49 49 MET H H 1 8.167 0.01 . 1 . . . . 49 MET H . 18121 2 266 . 1 1 49 49 MET C C 13 174.688 0.1 . 1 . . . . 49 MET C . 18121 2 267 . 1 1 49 49 MET CA C 13 56.902 0.1 . 1 . . . . 49 MET CA . 18121 2 268 . 1 1 49 49 MET N N 15 121.848 0.1 . 1 . . . . 49 MET N . 18121 2 269 . 1 1 50 50 ARG H H 1 8.464 0.01 . 1 . . . . 50 ARG H . 18121 2 270 . 1 1 50 50 ARG N N 15 124.143 0.1 . 1 . . . . 50 ARG N . 18121 2 271 . 1 1 51 51 ILE H H 1 9.188 0.01 . 1 . . . . 51 ILE H . 18121 2 272 . 1 1 51 51 ILE C C 13 174.175 0.1 . 1 . . . . 51 ILE C . 18121 2 273 . 1 1 51 51 ILE N N 15 125.286 0.1 . 1 . . . . 51 ILE N . 18121 2 274 . 1 1 52 52 MET H H 1 8.124 0.01 . 1 . . . . 52 MET H . 18121 2 275 . 1 1 52 52 MET C C 13 176.027 0.1 . 1 . . . . 52 MET C . 18121 2 276 . 1 1 52 52 MET CA C 13 59.950 0.1 . 1 . . . . 52 MET CA . 18121 2 277 . 1 1 52 52 MET N N 15 119.189 0.1 . 1 . . . . 52 MET N . 18121 2 278 . 1 1 53 53 ILE H H 1 9.464 0.01 . 1 . . . . 53 ILE H . 18121 2 279 . 1 1 53 53 ILE CA C 13 58.036 0.1 . 1 . . . . 53 ILE CA . 18121 2 280 . 1 1 53 53 ILE N N 15 125.960 0.1 . 1 . . . . 53 ILE N . 18121 2 281 . 1 1 54 54 PRO C C 13 178.157 0.1 . 1 . . . . 54 PRO C . 18121 2 282 . 1 1 54 54 PRO CA C 13 63.405 0.1 . 1 . . . . 54 PRO CA . 18121 2 283 . 1 1 55 55 ILE H H 1 7.831 0.01 . 1 . . . . 55 ILE H . 18121 2 284 . 1 1 55 55 ILE CA C 13 64.501 0.1 . 1 . . . . 55 ILE CA . 18121 2 285 . 1 1 55 55 ILE N N 15 121.825 0.1 . 1 . . . . 55 ILE N . 18121 2 286 . 1 1 56 56 ASN HD21 H 1 6.955 0.01 . 2 . . . . 56 ASN HD21 . 18121 2 287 . 1 1 56 56 ASN HD22 H 1 7.696 0.01 . 2 . . . . 56 ASN HD22 . 18121 2 288 . 1 1 56 56 ASN ND2 N 15 112.526 0.1 . 1 . . . . 56 ASN ND2 . 18121 2 289 . 1 1 58 58 VAL C C 13 176.845 0.1 . 1 . . . . 58 VAL C . 18121 2 290 . 1 1 59 59 GLY H H 1 8.797 0.01 . 1 . . . . 59 GLY H . 18121 2 291 . 1 1 59 59 GLY C C 13 175.296 0.1 . 1 . . . . 59 GLY C . 18121 2 292 . 1 1 59 59 GLY CA C 13 45.962 0.1 . 1 . . . . 59 GLY CA . 18121 2 293 . 1 1 59 59 GLY N N 15 110.068 0.1 . 1 . . . . 59 GLY N . 18121 2 294 . 1 1 60 60 SER H H 1 8.058 0.01 . 1 . . . . 60 SER H . 18121 2 295 . 1 1 60 60 SER CA C 13 59.272 0.1 . 1 . . . . 60 SER CA . 18121 2 296 . 1 1 60 60 SER N N 15 116.013 0.1 . 1 . . . . 60 SER N . 18121 2 297 . 1 1 61 61 VAL C C 13 176.845 0.1 . 1 . . . . 61 VAL C . 18121 2 298 . 1 1 62 62 GLY H H 1 8.764 0.01 . 1 . . . . 62 GLY H . 18121 2 299 . 1 1 62 62 GLY C C 13 174.250 0.1 . 1 . . . . 62 GLY C . 18121 2 300 . 1 1 62 62 GLY CA C 13 45.422 0.1 . 1 . . . . 62 GLY CA . 18121 2 301 . 1 1 62 62 GLY N N 15 113.376 0.1 . 1 . . . . 62 GLY N . 18121 2 302 . 1 1 63 63 LEU H H 1 7.851 0.01 . 1 . . . . 63 LEU H . 18121 2 303 . 1 1 63 63 LEU CA C 13 55.313 0.1 . 1 . . . . 63 LEU CA . 18121 2 304 . 1 1 63 63 LEU N N 15 119.685 0.1 . 1 . . . . 63 LEU N . 18121 2 305 . 1 1 64 64 ARG HE H 1 7.322 0.01 . 1 . . . . 64 ARG HE . 18121 2 306 . 1 1 64 64 ARG C C 13 175.215 0.1 . 1 . . . . 64 ARG C . 18121 2 307 . 1 1 64 64 ARG CA C 13 54.750 0.1 . 1 . . . . 64 ARG CA . 18121 2 308 . 1 1 64 64 ARG CB C 13 33.015 0.1 . 1 . . . . 64 ARG CB . 18121 2 309 . 1 1 64 64 ARG CG C 13 26.775 0.1 . 1 . . . . 64 ARG CG . 18121 2 310 . 1 1 64 64 ARG CD C 13 43.462 0.1 . 1 . . . . 64 ARG CD . 18121 2 311 . 1 1 64 64 ARG CZ C 13 159.490 0.1 . 1 . . . . 64 ARG CZ . 18121 2 312 . 1 1 64 64 ARG NE N 15 84.624 0.1 . 1 . . . . 64 ARG NE . 18121 2 313 . 1 1 65 65 GLU H H 1 8.999 0.01 . 1 . . . . 65 GLU H . 18121 2 314 . 1 1 65 65 GLU HA H 1 4.521 0.01 . 1 . . . . 65 GLU HA . 18121 2 315 . 1 1 65 65 GLU HB3 H 1 2.069 0.01 . 2 . . . . 65 GLU HB3 . 18121 2 316 . 1 1 65 65 GLU C C 13 176.086 0.1 . 1 . . . . 65 GLU C . 18121 2 317 . 1 1 65 65 GLU CA C 13 56.657 0.1 . 1 . . . . 65 GLU CA . 18121 2 318 . 1 1 65 65 GLU CB C 13 30.516 0.1 . 1 . . . . 65 GLU CB . 18121 2 319 . 1 1 65 65 GLU N N 15 122.597 0.1 . 1 . . . . 65 GLU N . 18121 2 320 . 1 1 66 66 ILE H H 1 8.453 0.01 . 1 . . . . 66 ILE H . 18121 2 321 . 1 1 66 66 ILE HA H 1 4.155 0.01 . 1 . . . . 66 ILE HA . 18121 2 322 . 1 1 66 66 ILE HB H 1 1.786 0.01 . 1 . . . . 66 ILE HB . 18121 2 323 . 1 1 66 66 ILE C C 13 175.897 0.1 . 1 . . . . 66 ILE C . 18121 2 324 . 1 1 66 66 ILE CA C 13 61.118 0.1 . 1 . . . . 66 ILE CA . 18121 2 325 . 1 1 66 66 ILE CB C 13 38.745 0.1 . 1 . . . . 66 ILE CB . 18121 2 326 . 1 1 66 66 ILE N N 15 122.060 0.1 . 1 . . . . 66 ILE N . 18121 2 327 . 1 1 67 67 ILE H H 1 8.468 0.01 . 1 . . . . 67 ILE H . 18121 2 328 . 1 1 67 67 ILE HA H 1 4.289 0.01 . 1 . . . . 67 ILE HA . 18121 2 329 . 1 1 67 67 ILE HB H 1 1.876 0.01 . 1 . . . . 67 ILE HB . 18121 2 330 . 1 1 67 67 ILE C C 13 176.118 0.1 . 1 . . . . 67 ILE C . 18121 2 331 . 1 1 67 67 ILE CA C 13 60.729 0.1 . 1 . . . . 67 ILE CA . 18121 2 332 . 1 1 67 67 ILE CB C 13 38.712 0.1 . 1 . . . . 67 ILE CB . 18121 2 333 . 1 1 67 67 ILE N N 15 126.358 0.1 . 1 . . . . 67 ILE N . 18121 2 334 . 1 1 68 68 SER H H 1 8.574 0.01 . 1 . . . . 68 SER H . 18121 2 335 . 1 1 68 68 SER HA H 1 4.502 0.01 . 1 . . . . 68 SER HA . 18121 2 336 . 1 1 68 68 SER HB2 H 1 3.857 0.01 . 2 . . . . 68 SER QB . 18121 2 337 . 1 1 68 68 SER HB3 H 1 3.857 0.01 . 2 . . . . 68 SER QB . 18121 2 338 . 1 1 68 68 SER C C 13 174.525 0.1 . 1 . . . . 68 SER C . 18121 2 339 . 1 1 68 68 SER CA C 13 58.232 0.1 . 1 . . . . 68 SER CA . 18121 2 340 . 1 1 68 68 SER CB C 13 64.031 0.1 . 1 . . . . 68 SER CB . 18121 2 341 . 1 1 68 68 SER N N 15 120.963 0.1 . 1 . . . . 68 SER N . 18121 2 342 . 1 1 69 69 GLU H H 1 8.694 0.01 . 1 . . . . 69 GLU H . 18121 2 343 . 1 1 69 69 GLU HA H 1 4.338 0.01 . 1 . . . . 69 GLU HA . 18121 2 344 . 1 1 69 69 GLU HB2 H 1 1.938 0.01 . 2 . . . . 69 GLU HB2 . 18121 2 345 . 1 1 69 69 GLU HB3 H 1 2.124 0.01 . 2 . . . . 69 GLU HB3 . 18121 2 346 . 1 1 69 69 GLU C C 13 176.262 0.1 . 1 . . . . 69 GLU C . 18121 2 347 . 1 1 69 69 GLU CA C 13 56.808 0.1 . 1 . . . . 69 GLU CA . 18121 2 348 . 1 1 69 69 GLU CB C 13 30.319 0.1 . 1 . . . . 69 GLU CB . 18121 2 349 . 1 1 69 69 GLU N N 15 123.560 0.1 . 1 . . . . 69 GLU N . 18121 2 350 . 1 1 70 70 GLU H H 1 8.383 0.01 . 1 . . . . 70 GLU H . 18121 2 351 . 1 1 70 70 GLU HA H 1 4.331 0.01 . 1 . . . . 70 GLU HA . 18121 2 352 . 1 1 70 70 GLU HB2 H 1 1.896 0.01 . 2 . . . . 70 GLU HB2 . 18121 2 353 . 1 1 70 70 GLU HB3 H 1 2.113 0.01 . 2 . . . . 70 GLU HB3 . 18121 2 354 . 1 1 70 70 GLU CA C 13 56.441 0.1 . 1 . . . . 70 GLU CA . 18121 2 355 . 1 1 70 70 GLU CB C 13 30.738 0.1 . 1 . . . . 70 GLU CB . 18121 2 356 . 1 1 70 70 GLU N N 15 121.410 0.1 . 1 . . . . 70 GLU N . 18121 2 357 . 1 1 71 71 ASP H H 1 8.024 0.01 . 1 . . . . 71 ASP H . 18121 2 358 . 1 1 71 71 ASP HA H 1 4.384 0.01 . 1 . . . . 71 ASP HA . 18121 2 359 . 1 1 71 71 ASP HB2 H 1 2.578 0.01 . 2 . . . . 71 ASP HB2 . 18121 2 360 . 1 1 71 71 ASP CA C 13 56.168 0.1 . 1 . . . . 71 ASP CA . 18121 2 361 . 1 1 71 71 ASP CB C 13 42.197 0.1 . 1 . . . . 71 ASP CB . 18121 2 362 . 1 1 71 71 ASP N N 15 127.018 0.1 . 1 . . . . 71 ASP N . 18121 2 stop_ save_