data_18193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18193 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the N-terminal domain of Thermus thermophilus CdnL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-12 _Entry.Accession_date 2012-01-12 _Entry.Last_release_date 2012-07-30 _Entry.Original_release_date 2012-07-30 _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 Angeles Jimenez M. . . 18193 2 S. Padmanabhan . . . 18193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 18193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 278 18193 '15N chemical shifts' 172 18193 '1H chemical shifts' 587 18193 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-30 2012-01-12 original author . 18193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18121 ; CdnL N-terminal domain from Myxococcus xanthus 1-68 residues ; 18193 BMRB 18151 'CdnL from Myxococcus xanthus' 18193 BMRB 18194 CarD1-72 18193 PDB 2LQK 'BMRB Entry Tracking System' 18193 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18193 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22782235 _Citation.Full_citation . _Citation.Title 'NMR structure note: N-terminal domain of Thermus thermophilus CdnL' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 4 _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 355 _Citation.Page_last 363 _Citation.Year 2012 _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 Aranzazu Gallego-Garcia . . . 18193 1 2 Yasmina Mirassou . . . 18193 1 3 Monserrat Elias-Arnanz . . . 18193 1 4 S. Padmanabhan . . . 18193 1 5 Angeles Jimenez M. . . 18193 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CarD_TRCF 18193 1 CdnL 18193 1 PF02559 18193 1 'RNA polymerase interacting domain' 18193 1 'Thermus thermophilus' 18193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18193 _Assembly.ID 1 _Assembly.Name TtCdnLNt _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7437.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'Thermus thermophilus homolog of Myxococcus xanthus CdnL' _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 TtCdnL 1 $TtCdnLNt A . yes native no no . . . 18193 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.' 18193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TtCdnLNt _Entity.Sf_category entity _Entity.Sf_framecode TtCdnLNt _Entity.Entry_ID 18193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TtCdnLNt _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 ; AGHMKEFRPGDKVVLPPYGV GVVAGIAQRSVSGVSRAYYQ VDFPGSRSKAYVPVEAPHSV GLRKALAPEE ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment TtCdnLNt _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7437.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LQK . "Nmr Solution Structure Of The N-Terminal Domain Of The Cdnl Protein From Thermus Thermophilus" . . . . . 100.00 70 100.00 100.00 3.52e-40 . . . . 18193 1 2 no PDB 4L5G . "Crystal Structure Of Thermus Thermophilus Card" . . . . . 94.29 165 100.00 100.00 1.09e-36 . . . . 18193 1 3 no PDB 4XAX . "Crystal Structure Of Thermus Thermophilus Card In Complex With The Thermus Aquaticus Rna Polymerase Beta1 Domain" . . . . . 92.86 158 100.00 100.00 6.24e-36 . . . . 18193 1 4 no PDB 4XLR . "Crystal Structure Of T.aquaticus Transcription Initiation Complex With Card Containing Bubble Promoter And Rna" . . . . . 95.71 164 100.00 100.00 9.99e-38 . . . . 18193 1 5 no PDB 4XLS . "Crystal Structure Of T. Aquaticus Transcription Initiation Complex With Card Containing Upstream Fork Promoter." . . . . . 95.71 164 100.00 100.00 9.99e-38 . . . . 18193 1 6 no DBJ BAD69991 . "conserved hypothetical protein [Thermus thermophilus HB8]" . . . . . 95.71 164 100.00 100.00 9.99e-38 . . . . 18193 1 7 no GB AAS82160 . "transcriptional regulator [Thermus thermophilus HB27]" . . . . . 95.71 164 100.00 100.00 9.68e-38 . . . . 18193 1 8 no GB AEG32654 . "transcriptional regulator, CarD family [Thermus thermophilus SG0.5JP17-16]" . . . . . 95.71 164 100.00 100.00 9.68e-38 . . . . 18193 1 9 no GB AFH38154 . "CarD-like transcriptional regulator [Thermus thermophilus JL-18]" . . . . . 95.71 164 100.00 100.00 9.99e-38 . . . . 18193 1 10 no GB EIA39918 . "hypothetical protein RLTM_01230 [Thermus sp. RL]" . . . . . 95.71 164 100.00 100.00 8.05e-38 . . . . 18193 1 11 no GB KHG65550 . "transcriptional regulator [Thermus sp. 2.9]" . . . . . 95.71 164 98.51 100.00 1.49e-37 . . . . 18193 1 12 no REF WP_008630850 . "transcriptional regulator [Thermus sp. RL]" . . . . . 95.71 164 100.00 100.00 8.05e-38 . . . . 18193 1 13 no REF WP_011174173 . "transcriptional regulator [Thermus thermophilus]" . . . . . 95.71 164 100.00 100.00 9.68e-38 . . . . 18193 1 14 no REF WP_011227752 . "transcriptional regulator [Thermus thermophilus]" . . . . . 95.71 164 100.00 100.00 9.99e-38 . . . . 18193 1 15 no REF WP_019551571 . "transcriptional regulator [Thermus scotoductus]" . . . . . 95.71 164 97.01 98.51 1.99e-36 . . . . 18193 1 16 no REF WP_022798969 . "transcriptional regulator [Thermus islandicus]" . . . . . 95.71 164 97.01 98.51 1.66e-36 . . . . 18193 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Interaction with RNA polymerase beta subunit' 18193 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 . 18193 1 2 . GLY . 18193 1 3 . HIS . 18193 1 4 . MET . 18193 1 5 . LYS . 18193 1 6 . GLU . 18193 1 7 . PHE . 18193 1 8 . ARG . 18193 1 9 . PRO . 18193 1 10 . GLY . 18193 1 11 . ASP . 18193 1 12 . LYS . 18193 1 13 . VAL . 18193 1 14 . VAL . 18193 1 15 . LEU . 18193 1 16 . PRO . 18193 1 17 . PRO . 18193 1 18 . TYR . 18193 1 19 . GLY . 18193 1 20 . VAL . 18193 1 21 . GLY . 18193 1 22 . VAL . 18193 1 23 . VAL . 18193 1 24 . ALA . 18193 1 25 . GLY . 18193 1 26 . ILE . 18193 1 27 . ALA . 18193 1 28 . GLN . 18193 1 29 . ARG . 18193 1 30 . SER . 18193 1 31 . VAL . 18193 1 32 . SER . 18193 1 33 . GLY . 18193 1 34 . VAL . 18193 1 35 . SER . 18193 1 36 . ARG . 18193 1 37 . ALA . 18193 1 38 . TYR . 18193 1 39 . TYR . 18193 1 40 . GLN . 18193 1 41 . VAL . 18193 1 42 . ASP . 18193 1 43 . PHE . 18193 1 44 . PRO . 18193 1 45 . GLY . 18193 1 46 . SER . 18193 1 47 . ARG . 18193 1 48 . SER . 18193 1 49 . LYS . 18193 1 50 . ALA . 18193 1 51 . TYR . 18193 1 52 . VAL . 18193 1 53 . PRO . 18193 1 54 . VAL . 18193 1 55 . GLU . 18193 1 56 . ALA . 18193 1 57 . PRO . 18193 1 58 . HIS . 18193 1 59 . SER . 18193 1 60 . VAL . 18193 1 61 . GLY . 18193 1 62 . LEU . 18193 1 63 . ARG . 18193 1 64 . LYS . 18193 1 65 . ALA . 18193 1 66 . LEU . 18193 1 67 . ALA . 18193 1 68 . PRO . 18193 1 69 . GLU . 18193 1 70 . GLU . 18193 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 18193 1 . GLY 2 2 18193 1 . HIS 3 3 18193 1 . MET 4 4 18193 1 . LYS 5 5 18193 1 . GLU 6 6 18193 1 . PHE 7 7 18193 1 . ARG 8 8 18193 1 . PRO 9 9 18193 1 . GLY 10 10 18193 1 . ASP 11 11 18193 1 . LYS 12 12 18193 1 . VAL 13 13 18193 1 . VAL 14 14 18193 1 . LEU 15 15 18193 1 . PRO 16 16 18193 1 . PRO 17 17 18193 1 . TYR 18 18 18193 1 . GLY 19 19 18193 1 . VAL 20 20 18193 1 . GLY 21 21 18193 1 . VAL 22 22 18193 1 . VAL 23 23 18193 1 . ALA 24 24 18193 1 . GLY 25 25 18193 1 . ILE 26 26 18193 1 . ALA 27 27 18193 1 . GLN 28 28 18193 1 . ARG 29 29 18193 1 . SER 30 30 18193 1 . VAL 31 31 18193 1 . SER 32 32 18193 1 . GLY 33 33 18193 1 . VAL 34 34 18193 1 . SER 35 35 18193 1 . ARG 36 36 18193 1 . ALA 37 37 18193 1 . TYR 38 38 18193 1 . TYR 39 39 18193 1 . GLN 40 40 18193 1 . VAL 41 41 18193 1 . ASP 42 42 18193 1 . PHE 43 43 18193 1 . PRO 44 44 18193 1 . GLY 45 45 18193 1 . SER 46 46 18193 1 . ARG 47 47 18193 1 . SER 48 48 18193 1 . LYS 49 49 18193 1 . ALA 50 50 18193 1 . TYR 51 51 18193 1 . VAL 52 52 18193 1 . PRO 53 53 18193 1 . VAL 54 54 18193 1 . GLU 55 55 18193 1 . ALA 56 56 18193 1 . PRO 57 57 18193 1 . HIS 58 58 18193 1 . SER 59 59 18193 1 . VAL 60 60 18193 1 . GLY 61 61 18193 1 . LEU 62 62 18193 1 . ARG 63 63 18193 1 . LYS 64 64 18193 1 . ALA 65 65 18193 1 . LEU 66 66 18193 1 . ALA 67 67 18193 1 . PRO 68 68 18193 1 . GLU 69 69 18193 1 . GLU 70 70 18193 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 18193 _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 $TtCdnLNt . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . cdnL . . . . 18193 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 18193 _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 $TtCdnLNt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTYB12 . . . . . . 18193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18193 _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 TtCdnLNt 'natural abundance' . . 1 $TtCdnLNt . . 1 . . mM . . . . 18193 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18193 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18193 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18193 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18193 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18193 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18193 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18193 _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 TtCdnLNt 'natural abundance' . . 1 $TtCdnLNt . . 1 . . mM . . . . 18193 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18193 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18193 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18193 2 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18193 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18193 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18193 _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 TtCdnLNt '[U-100% 13C; U-100% 15N]' . . 1 $TtCdnLNt . . 1 . . mM . . . . 18193 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18193 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18193 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18193 3 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18193 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18193 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18193 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18193 _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 TtCdnLNt '[U-100% 13C; U-100% 15N]' . . 1 $TtCdnLNt . . 1 . . mM . . . . 18193 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18193 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18193 4 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18193 4 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18193 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18193 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18193 _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 18193 1 pH 7.0 0.1 pH 18193 1 pressure 1 . atm 18193 1 temperature 298 0.1 K 18193 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 18193 _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 18193 2 pH 7.0 0.1 pH 18193 2 pressure 1 . atm 18193 2 temperature 288 0.1 K 18193 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18193 _Sample_condition_list.ID 3 _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 18193 3 pH 7.0 0.1 pH 18193 3 pressure 1 . atm 18193 3 temperature 308 0.1 K 18193 3 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18193 _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' . . 18193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18193 1 processing 18193 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18193 _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 . . 18193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18193 2 'peak picking' 18193 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 18193 _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 18193 _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 18193 _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 . . . 18193 1 2 spectrometer_2 Bruker Avance . 600 . . . 18193 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 18193 _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 . . . . . . . . . . . . . . . . 18193 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18193 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18193 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18193 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18193 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18193 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 11 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 13 '3D HBHANH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18193 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 18193 _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 . . . . . . . . . 18193 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18193 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18193 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 18193 _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 3 '2D 1H-1H NOESY' . . . 18193 1 6 '2D 1H-1H NOESY' . . . 18193 1 7 '2D 1H-15N HSQC' . . . 18193 1 8 '3D HNCO' . . . 18193 1 9 '3D HNCA' . . . 18193 1 10 '3D CBCA(CO)NH' . . . 18193 1 11 '3D HNCACB' . . . 18193 1 12 '3D HBHA(CO)NH' . . . 18193 1 13 '3D HBHANH' . . . 18193 1 14 '2D 1H-13C HSQC aliphatic' . . . 18193 1 15 '2D 1H-13C HSQC aromatic' . . . 18193 1 16 '3D HCCH-TOCSY' . . . 18193 1 17 '3D 1H-13C NOESY' . . . 18193 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 4.118 0.01 . 1 . . . . 1 ALA HA . 18193 1 2 . 1 1 1 1 ALA HB1 H 1 1.521 0.01 . 1 . . . . 1 ALA QB . 18193 1 3 . 1 1 1 1 ALA HB2 H 1 1.521 0.01 . 1 . . . . 1 ALA QB . 18193 1 4 . 1 1 1 1 ALA HB3 H 1 1.521 0.01 . 1 . . . . 1 ALA QB . 18193 1 5 . 1 1 1 1 ALA CA C 13 51.730 0.1 . 1 . . . . 1 ALA CA . 18193 1 6 . 1 1 1 1 ALA CB C 13 19.191 0.1 . 1 . . . . 1 ALA CB . 18193 1 7 . 1 1 2 2 GLY HA2 H 1 4.060 0.01 . 2 . . . . 2 GLY QA . 18193 1 8 . 1 1 2 2 GLY HA3 H 1 4.060 0.01 . 2 . . . . 2 GLY QA . 18193 1 9 . 1 1 2 2 GLY CA C 13 44.189 0.1 . 1 . . . . 2 GLY CA . 18193 1 10 . 1 1 3 3 HIS HA H 1 4.648 0.01 . 1 . . . . 3 HIS HA . 18193 1 11 . 1 1 3 3 HIS HB2 H 1 3.080 0.01 . 2 . . . . 3 HIS HB2 . 18193 1 12 . 1 1 3 3 HIS HB3 H 1 3.144 0.01 . 2 . . . . 3 HIS HB3 . 18193 1 13 . 1 1 3 3 HIS HD2 H 1 7.027 0.01 . 1 . . . . 3 HIS HD2 . 18193 1 14 . 1 1 3 3 HIS HE1 H 1 7.880 0.01 . 1 . . . . 3 HIS HE1 . 18193 1 15 . 1 1 3 3 HIS CA C 13 56.017 0.1 . 1 . . . . 3 HIS CA . 18193 1 16 . 1 1 3 3 HIS CB C 13 30.263 0.1 . 1 . . . . 3 HIS CB . 18193 1 17 . 1 1 4 4 MET H H 1 8.367 0.01 . 1 . . . . 4 MET H . 18193 1 18 . 1 1 4 4 MET HA H 1 4.435 0.01 . 1 . . . . 4 MET HA . 18193 1 19 . 1 1 4 4 MET HB2 H 1 2.020 0.01 . 2 . . . . 4 MET HB2 . 18193 1 20 . 1 1 4 4 MET HB3 H 1 2.054 0.01 . 2 . . . . 4 MET HB3 . 18193 1 21 . 1 1 4 4 MET HG2 H 1 2.491 0.01 . 2 . . . . 4 MET HG2 . 18193 1 22 . 1 1 4 4 MET HG3 H 1 2.546 0.01 . 2 . . . . 4 MET HG3 . 18193 1 23 . 1 1 4 4 MET HE1 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18193 1 24 . 1 1 4 4 MET HE2 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18193 1 25 . 1 1 4 4 MET HE3 H 1 2.083 0.01 . 1 . . . . 4 MET QE . 18193 1 26 . 1 1 4 4 MET C C 13 175.952 0.1 . 1 . . . . 4 MET C . 18193 1 27 . 1 1 4 4 MET CA C 13 55.691 0.1 . 1 . . . . 4 MET CA . 18193 1 28 . 1 1 4 4 MET CB C 13 32.721 0.1 . 1 . . . . 4 MET CB . 18193 1 29 . 1 1 4 4 MET CG C 13 31.914 0.1 . 1 . . . . 4 MET CG . 18193 1 30 . 1 1 4 4 MET CE C 13 17.005 0.1 . 1 . . . . 4 MET CE . 18193 1 31 . 1 1 4 4 MET N N 15 121.926 0.1 . 1 . . . . 4 MET N . 18193 1 32 . 1 1 5 5 LYS H H 1 8.388 0.01 . 1 . . . . 5 LYS H . 18193 1 33 . 1 1 5 5 LYS HA H 1 4.324 0.01 . 1 . . . . 5 LYS HA . 18193 1 34 . 1 1 5 5 LYS HB2 H 1 1.744 0.01 . 2 . . . . 5 LYS HB2 . 18193 1 35 . 1 1 5 5 LYS HB3 H 1 1.876 0.01 . 2 . . . . 5 LYS HB3 . 18193 1 36 . 1 1 5 5 LYS HG2 H 1 1.419 0.01 . 2 . . . . 5 LYS QG . 18193 1 37 . 1 1 5 5 LYS HG3 H 1 1.419 0.01 . 2 . . . . 5 LYS QG . 18193 1 38 . 1 1 5 5 LYS HD2 H 1 1.686 0.01 . 2 . . . . 5 LYS QD . 18193 1 39 . 1 1 5 5 LYS HD3 H 1 1.686 0.01 . 2 . . . . 5 LYS QD . 18193 1 40 . 1 1 5 5 LYS HE2 H 1 2.979 0.01 . 2 . . . . 5 LYS QE . 18193 1 41 . 1 1 5 5 LYS HE3 H 1 2.979 0.01 . 2 . . . . 5 LYS QE . 18193 1 42 . 1 1 5 5 LYS C C 13 176.056 0.1 . 1 . . . . 5 LYS C . 18193 1 43 . 1 1 5 5 LYS CA C 13 55.960 0.1 . 1 . . . . 5 LYS CA . 18193 1 44 . 1 1 5 5 LYS CB C 13 32.900 0.1 . 1 . . . . 5 LYS CB . 18193 1 45 . 1 1 5 5 LYS CG C 13 24.732 0.1 . 1 . . . . 5 LYS CG . 18193 1 46 . 1 1 5 5 LYS CD C 13 28.879 0.1 . 1 . . . . 5 LYS CD . 18193 1 47 . 1 1 5 5 LYS CE C 13 41.963 0.1 . 1 . . . . 5 LYS CE . 18193 1 48 . 1 1 5 5 LYS N N 15 122.697 0.1 . 1 . . . . 5 LYS N . 18193 1 49 . 1 1 6 6 GLU H H 1 8.156 0.01 . 1 . . . . 6 GLU H . 18193 1 50 . 1 1 6 6 GLU HA H 1 4.068 0.01 . 1 . . . . 6 GLU HA . 18193 1 51 . 1 1 6 6 GLU HB2 H 1 1.875 0.01 . 2 . . . . 6 GLU QB . 18193 1 52 . 1 1 6 6 GLU HB3 H 1 1.875 0.01 . 2 . . . . 6 GLU QB . 18193 1 53 . 1 1 6 6 GLU HG2 H 1 1.960 0.01 . 2 . . . . 6 GLU HG2 . 18193 1 54 . 1 1 6 6 GLU HG3 H 1 2.131 0.01 . 2 . . . . 6 GLU HG3 . 18193 1 55 . 1 1 6 6 GLU C C 13 175.566 0.1 . 1 . . . . 6 GLU C . 18193 1 56 . 1 1 6 6 GLU CA C 13 57.132 0.1 . 1 . . . . 6 GLU CA . 18193 1 57 . 1 1 6 6 GLU CB C 13 31.016 0.1 . 1 . . . . 6 GLU CB . 18193 1 58 . 1 1 6 6 GLU CG C 13 36.217 0.1 . 1 . . . . 6 GLU CG . 18193 1 59 . 1 1 6 6 GLU N N 15 121.308 0.1 . 1 . . . . 6 GLU N . 18193 1 60 . 1 1 7 7 PHE H H 1 7.565 0.01 . 1 . . . . 7 PHE H . 18193 1 61 . 1 1 7 7 PHE HA H 1 4.651 0.01 . 1 . . . . 7 PHE HA . 18193 1 62 . 1 1 7 7 PHE HB2 H 1 1.987 0.01 . 2 . . . . 7 PHE HB2 . 18193 1 63 . 1 1 7 7 PHE HB3 H 1 2.582 0.01 . 2 . . . . 7 PHE HB3 . 18193 1 64 . 1 1 7 7 PHE HD1 H 1 6.826 0.01 . 3 . . . . 7 PHE QD . 18193 1 65 . 1 1 7 7 PHE HD2 H 1 6.826 0.01 . 3 . . . . 7 PHE QD . 18193 1 66 . 1 1 7 7 PHE HE1 H 1 6.934 0.01 . 3 . . . . 7 PHE QE . 18193 1 67 . 1 1 7 7 PHE HE2 H 1 6.934 0.01 . 3 . . . . 7 PHE QE . 18193 1 68 . 1 1 7 7 PHE HZ H 1 7.034 0.01 . 1 . . . . 7 PHE HZ . 18193 1 69 . 1 1 7 7 PHE C C 13 173.955 0.1 . 1 . . . . 7 PHE C . 18193 1 70 . 1 1 7 7 PHE CA C 13 56.727 0.1 . 1 . . . . 7 PHE CA . 18193 1 71 . 1 1 7 7 PHE CB C 13 40.850 0.1 . 1 . . . . 7 PHE CB . 18193 1 72 . 1 1 7 7 PHE CD1 C 13 131.614 0.1 . 3 . . . . 7 PHE CD1 . 18193 1 73 . 1 1 7 7 PHE CD2 C 13 131.614 0.1 . 3 . . . . 7 PHE CD2 . 18193 1 74 . 1 1 7 7 PHE CE1 C 13 130.627 0.1 . 3 . . . . 7 PHE CE1 . 18193 1 75 . 1 1 7 7 PHE CE2 C 13 130.627 0.1 . 3 . . . . 7 PHE CE2 . 18193 1 76 . 1 1 7 7 PHE CZ C 13 129.085 0.1 . 1 . . . . 7 PHE CZ . 18193 1 77 . 1 1 7 7 PHE N N 15 117.741 0.1 . 1 . . . . 7 PHE N . 18193 1 78 . 1 1 8 8 ARG H H 1 9.052 0.01 . 1 . . . . 8 ARG H . 18193 1 79 . 1 1 8 8 ARG HA H 1 4.836 0.01 . 1 . . . . 8 ARG HA . 18193 1 80 . 1 1 8 8 ARG HB2 H 1 1.665 0.01 . 2 . . . . 8 ARG HB2 . 18193 1 81 . 1 1 8 8 ARG HB3 H 1 1.786 0.01 . 2 . . . . 8 ARG HB3 . 18193 1 82 . 1 1 8 8 ARG HG2 H 1 1.603 0.01 . 2 . . . . 8 ARG HG2 . 18193 1 83 . 1 1 8 8 ARG HG3 H 1 1.662 0.01 . 2 . . . . 8 ARG HG3 . 18193 1 84 . 1 1 8 8 ARG HD2 H 1 3.211 0.01 . 2 . . . . 8 ARG QD . 18193 1 85 . 1 1 8 8 ARG HD3 H 1 3.211 0.01 . 2 . . . . 8 ARG QD . 18193 1 86 . 1 1 8 8 ARG CA C 13 52.754 0.1 . 1 . . . . 8 ARG CA . 18193 1 87 . 1 1 8 8 ARG CB C 13 31.086 0.1 . 1 . . . . 8 ARG CB . 18193 1 88 . 1 1 8 8 ARG CG C 13 26.710 0.1 . 1 . . . . 8 ARG CG . 18193 1 89 . 1 1 8 8 ARG CD C 13 43.199 0.1 . 1 . . . . 8 ARG CD . 18193 1 90 . 1 1 8 8 ARG N N 15 121.290 0.1 . 1 . . . . 8 ARG N . 18193 1 91 . 1 1 9 9 PRO HA H 1 4.033 0.01 . 1 . . . . 9 PRO HA . 18193 1 92 . 1 1 9 9 PRO HB2 H 1 1.907 0.01 . 2 . . . . 9 PRO HB2 . 18193 1 93 . 1 1 9 9 PRO HB3 H 1 2.139 0.01 . 2 . . . . 9 PRO HB3 . 18193 1 94 . 1 1 9 9 PRO HG2 H 1 1.700 0.01 . 2 . . . . 9 PRO HG2 . 18193 1 95 . 1 1 9 9 PRO HG3 H 1 2.332 0.01 . 2 . . . . 9 PRO HG3 . 18193 1 96 . 1 1 9 9 PRO HD2 H 1 3.616 0.01 . 2 . . . . 9 PRO HD2 . 18193 1 97 . 1 1 9 9 PRO HD3 H 1 3.819 0.01 . 2 . . . . 9 PRO HD3 . 18193 1 98 . 1 1 9 9 PRO C C 13 177.372 0.1 . 1 . . . . 9 PRO C . 18193 1 99 . 1 1 9 9 PRO CA C 13 63.702 0.1 . 1 . . . . 9 PRO CA . 18193 1 100 . 1 1 9 9 PRO CB C 13 31.132 0.1 . 1 . . . . 9 PRO CB . 18193 1 101 . 1 1 9 9 PRO CG C 13 28.689 0.1 . 1 . . . . 9 PRO CG . 18193 1 102 . 1 1 9 9 PRO CD C 13 50.771 0.1 . 1 . . . . 9 PRO CD . 18193 1 103 . 1 1 10 10 GLY H H 1 9.452 0.01 . 1 . . . . 10 GLY H . 18193 1 104 . 1 1 10 10 GLY HA2 H 1 3.435 0.01 . 2 . . . . 10 GLY HA2 . 18193 1 105 . 1 1 10 10 GLY HA3 H 1 4.467 0.01 . 2 . . . . 10 GLY HA3 . 18193 1 106 . 1 1 10 10 GLY C C 13 174.753 0.1 . 1 . . . . 10 GLY C . 18193 1 107 . 1 1 10 10 GLY CA C 13 44.652 0.1 . 1 . . . . 10 GLY CA . 18193 1 108 . 1 1 10 10 GLY N N 15 114.516 0.1 . 1 . . . . 10 GLY N . 18193 1 109 . 1 1 11 11 ASP H H 1 8.270 0.01 . 1 . . . . 11 ASP H . 18193 1 110 . 1 1 11 11 ASP HA H 1 4.572 0.01 . 1 . . . . 11 ASP HA . 18193 1 111 . 1 1 11 11 ASP HB2 H 1 2.457 0.01 . 2 . . . . 11 ASP HB2 . 18193 1 112 . 1 1 11 11 ASP HB3 H 1 2.840 0.01 . 2 . . . . 11 ASP HB3 . 18193 1 113 . 1 1 11 11 ASP C C 13 175.555 0.1 . 1 . . . . 11 ASP C . 18193 1 114 . 1 1 11 11 ASP CA C 13 55.590 0.1 . 1 . . . . 11 ASP CA . 18193 1 115 . 1 1 11 11 ASP CB C 13 41.047 0.1 . 1 . . . . 11 ASP CB . 18193 1 116 . 1 1 11 11 ASP N N 15 122.258 0.1 . 1 . . . . 11 ASP N . 18193 1 117 . 1 1 12 12 LYS H H 1 8.561 0.01 . 1 . . . . 12 LYS H . 18193 1 118 . 1 1 12 12 LYS HA H 1 4.993 0.01 . 1 . . . . 12 LYS HA . 18193 1 119 . 1 1 12 12 LYS HB2 H 1 1.680 0.01 . 2 . . . . 12 LYS HB2 . 18193 1 120 . 1 1 12 12 LYS HB3 H 1 1.892 0.01 . 2 . . . . 12 LYS HB3 . 18193 1 121 . 1 1 12 12 LYS HG2 H 1 1.395 0.01 . 2 . . . . 12 LYS HG2 . 18193 1 122 . 1 1 12 12 LYS HG3 H 1 1.662 0.01 . 2 . . . . 12 LYS HG3 . 18193 1 123 . 1 1 12 12 LYS HD2 H 1 1.678 0.01 . 2 . . . . 12 LYS QD . 18193 1 124 . 1 1 12 12 LYS HD3 H 1 1.678 0.01 . 2 . . . . 12 LYS QD . 18193 1 125 . 1 1 12 12 LYS HE2 H 1 2.958 0.01 . 2 . . . . 12 LYS QE . 18193 1 126 . 1 1 12 12 LYS HE3 H 1 2.958 0.01 . 2 . . . . 12 LYS QE . 18193 1 127 . 1 1 12 12 LYS C C 13 177.209 0.1 . 1 . . . . 12 LYS C . 18193 1 128 . 1 1 12 12 LYS CA C 13 55.940 0.1 . 1 . . . . 12 LYS CA . 18193 1 129 . 1 1 12 12 LYS CB C 13 32.507 0.1 . 1 . . . . 12 LYS CB . 18193 1 130 . 1 1 12 12 LYS CG C 13 25.516 0.1 . 1 . . . . 12 LYS CG . 18193 1 131 . 1 1 12 12 LYS CD C 13 28.913 0.1 . 1 . . . . 12 LYS CD . 18193 1 132 . 1 1 12 12 LYS CE C 13 41.855 0.1 . 1 . . . . 12 LYS CE . 18193 1 133 . 1 1 12 12 LYS N N 15 122.799 0.1 . 1 . . . . 12 LYS N . 18193 1 134 . 1 1 13 13 VAL H H 1 8.600 0.01 . 1 . . . . 13 VAL H . 18193 1 135 . 1 1 13 13 VAL HA H 1 5.104 0.01 . 1 . . . . 13 VAL HA . 18193 1 136 . 1 1 13 13 VAL HB H 1 1.872 0.01 . 1 . . . . 13 VAL HB . 18193 1 137 . 1 1 13 13 VAL HG11 H 1 0.304 0.01 . 2 . . . . 13 VAL QG1 . 18193 1 138 . 1 1 13 13 VAL HG12 H 1 0.304 0.01 . 2 . . . . 13 VAL QG1 . 18193 1 139 . 1 1 13 13 VAL HG13 H 1 0.304 0.01 . 2 . . . . 13 VAL QG1 . 18193 1 140 . 1 1 13 13 VAL HG21 H 1 0.382 0.01 . 2 . . . . 13 VAL QG2 . 18193 1 141 . 1 1 13 13 VAL HG22 H 1 0.382 0.01 . 2 . . . . 13 VAL QG2 . 18193 1 142 . 1 1 13 13 VAL HG23 H 1 0.382 0.01 . 2 . . . . 13 VAL QG2 . 18193 1 143 . 1 1 13 13 VAL C C 13 173.262 0.1 . 1 . . . . 13 VAL C . 18193 1 144 . 1 1 13 13 VAL CA C 13 58.736 0.1 . 1 . . . . 13 VAL CA . 18193 1 145 . 1 1 13 13 VAL CB C 13 36.286 0.1 . 1 . . . . 13 VAL CB . 18193 1 146 . 1 1 13 13 VAL CG1 C 13 18.440 0.1 . 2 . . . . 13 VAL CG1 . 18193 1 147 . 1 1 13 13 VAL CG2 C 13 22.568 0.1 . 2 . . . . 13 VAL CG2 . 18193 1 148 . 1 1 13 13 VAL N N 15 118.143 0.1 . 1 . . . . 13 VAL N . 18193 1 149 . 1 1 14 14 VAL H H 1 8.965 0.01 . 1 . . . . 14 VAL H . 18193 1 150 . 1 1 14 14 VAL HA H 1 4.587 0.01 . 1 . . . . 14 VAL HA . 18193 1 151 . 1 1 14 14 VAL HB H 1 1.740 0.01 . 1 . . . . 14 VAL HB . 18193 1 152 . 1 1 14 14 VAL HG11 H 1 0.820 0.01 . 2 . . . . 14 VAL QG1 . 18193 1 153 . 1 1 14 14 VAL HG12 H 1 0.820 0.01 . 2 . . . . 14 VAL QG1 . 18193 1 154 . 1 1 14 14 VAL HG13 H 1 0.820 0.01 . 2 . . . . 14 VAL QG1 . 18193 1 155 . 1 1 14 14 VAL HG21 H 1 0.864 0.01 . 2 . . . . 14 VAL QG2 . 18193 1 156 . 1 1 14 14 VAL HG22 H 1 0.864 0.01 . 2 . . . . 14 VAL QG2 . 18193 1 157 . 1 1 14 14 VAL HG23 H 1 0.864 0.01 . 2 . . . . 14 VAL QG2 . 18193 1 158 . 1 1 14 14 VAL C C 13 174.395 0.1 . 1 . . . . 14 VAL C . 18193 1 159 . 1 1 14 14 VAL CA C 13 60.948 0.1 . 1 . . . . 14 VAL CA . 18193 1 160 . 1 1 14 14 VAL CB C 13 34.394 0.1 . 1 . . . . 14 VAL CB . 18193 1 161 . 1 1 14 14 VAL CG1 C 13 21.092 0.1 . 2 . . . . 14 VAL CG1 . 18193 1 162 . 1 1 14 14 VAL CG2 C 13 21.445 0.1 . 2 . . . . 14 VAL CG2 . 18193 1 163 . 1 1 14 14 VAL N N 15 119.697 0.1 . 1 . . . . 14 VAL N . 18193 1 164 . 1 1 15 15 LEU H H 1 8.303 0.01 . 1 . . . . 15 LEU H . 18193 1 165 . 1 1 15 15 LEU HA H 1 5.048 0.01 . 1 . . . . 15 LEU HA . 18193 1 166 . 1 1 15 15 LEU HB2 H 1 1.154 0.01 . 2 . . . . 15 LEU HB2 . 18193 1 167 . 1 1 15 15 LEU HB3 H 1 2.267 0.01 . 2 . . . . 15 LEU HB3 . 18193 1 168 . 1 1 15 15 LEU HG H 1 1.661 0.01 . 1 . . . . 15 LEU HG . 18193 1 169 . 1 1 15 15 LEU HD11 H 1 0.852 0.01 . 2 . . . . 15 LEU QD1 . 18193 1 170 . 1 1 15 15 LEU HD12 H 1 0.852 0.01 . 2 . . . . 15 LEU QD1 . 18193 1 171 . 1 1 15 15 LEU HD13 H 1 0.852 0.01 . 2 . . . . 15 LEU QD1 . 18193 1 172 . 1 1 15 15 LEU HD21 H 1 0.905 0.01 . 2 . . . . 15 LEU QD2 . 18193 1 173 . 1 1 15 15 LEU HD22 H 1 0.905 0.01 . 2 . . . . 15 LEU QD2 . 18193 1 174 . 1 1 15 15 LEU HD23 H 1 0.905 0.01 . 2 . . . . 15 LEU QD2 . 18193 1 175 . 1 1 15 15 LEU CA C 13 50.803 0.1 . 1 . . . . 15 LEU CA . 18193 1 176 . 1 1 15 15 LEU CB C 13 45.095 0.1 . 1 . . . . 15 LEU CB . 18193 1 177 . 1 1 15 15 LEU CG C 13 26.887 0.1 . 1 . . . . 15 LEU CG . 18193 1 178 . 1 1 15 15 LEU CD1 C 13 26.616 0.1 . 2 . . . . 15 LEU CD1 . 18193 1 179 . 1 1 15 15 LEU CD2 C 13 23.914 0.1 . 2 . . . . 15 LEU CD2 . 18193 1 180 . 1 1 15 15 LEU N N 15 125.183 0.1 . 1 . . . . 15 LEU N . 18193 1 181 . 1 1 16 16 PRO HA H 1 4.679 0.01 . 1 . . . . 16 PRO HA . 18193 1 182 . 1 1 16 16 PRO HB2 H 1 1.813 0.01 . 2 . . . . 16 PRO HB2 . 18193 1 183 . 1 1 16 16 PRO HB3 H 1 2.309 0.01 . 2 . . . . 16 PRO HB3 . 18193 1 184 . 1 1 16 16 PRO HG2 H 1 1.943 0.01 . 2 . . . . 16 PRO HG2 . 18193 1 185 . 1 1 16 16 PRO HG3 H 1 2.199 0.01 . 2 . . . . 16 PRO HG3 . 18193 1 186 . 1 1 16 16 PRO HD2 H 1 3.715 0.01 . 2 . . . . 16 PRO HD2 . 18193 1 187 . 1 1 16 16 PRO HD3 H 1 3.845 0.01 . 2 . . . . 16 PRO HD3 . 18193 1 188 . 1 1 16 16 PRO CA C 13 61.822 0.1 . 1 . . . . 16 PRO CA . 18193 1 189 . 1 1 16 16 PRO CB C 13 31.031 0.1 . 1 . . . . 16 PRO CB . 18193 1 190 . 1 1 16 16 PRO CG C 13 27.772 0.1 . 1 . . . . 16 PRO CG . 18193 1 191 . 1 1 16 16 PRO CD C 13 51.116 0.1 . 1 . . . . 16 PRO CD . 18193 1 192 . 1 1 17 17 PRO HA H 1 4.604 0.01 . 1 . . . . 17 PRO HA . 18193 1 193 . 1 1 17 17 PRO HB2 H 1 1.893 0.01 . 2 . . . . 17 PRO HB2 . 18193 1 194 . 1 1 17 17 PRO HB3 H 1 2.141 0.01 . 2 . . . . 17 PRO HB3 . 18193 1 195 . 1 1 17 17 PRO HG2 H 1 0.762 0.01 . 2 . . . . 17 PRO HG2 . 18193 1 196 . 1 1 17 17 PRO HG3 H 1 1.639 0.01 . 2 . . . . 17 PRO HG3 . 18193 1 197 . 1 1 17 17 PRO HD2 H 1 2.583 0.01 . 2 . . . . 17 PRO HD2 . 18193 1 198 . 1 1 17 17 PRO HD3 H 1 3.185 0.01 . 2 . . . . 17 PRO HD3 . 18193 1 199 . 1 1 17 17 PRO C C 13 175.635 0.1 . 1 . . . . 17 PRO C . 18193 1 200 . 1 1 17 17 PRO CA C 13 63.855 0.1 . 1 . . . . 17 PRO CA . 18193 1 201 . 1 1 17 17 PRO CB C 13 32.899 0.1 . 1 . . . . 17 PRO CB . 18193 1 202 . 1 1 17 17 PRO CG C 13 23.512 0.1 . 1 . . . . 17 PRO CG . 18193 1 203 . 1 1 17 17 PRO CD C 13 49.097 0.1 . 1 . . . . 17 PRO CD . 18193 1 204 . 1 1 18 18 TYR H H 1 8.162 0.01 . 1 . . . . 18 TYR H . 18193 1 205 . 1 1 18 18 TYR HA H 1 3.911 0.01 . 1 . . . . 18 TYR HA . 18193 1 206 . 1 1 18 18 TYR HB2 H 1 1.710 0.01 . 2 . . . . 18 TYR HB2 . 18193 1 207 . 1 1 18 18 TYR HB3 H 1 2.189 0.01 . 2 . . . . 18 TYR HB3 . 18193 1 208 . 1 1 18 18 TYR HD1 H 1 6.682 0.01 . 3 . . . . 18 TYR QD . 18193 1 209 . 1 1 18 18 TYR HD2 H 1 6.682 0.01 . 3 . . . . 18 TYR QD . 18193 1 210 . 1 1 18 18 TYR HE1 H 1 6.716 0.01 . 3 . . . . 18 TYR QE . 18193 1 211 . 1 1 18 18 TYR HE2 H 1 6.716 0.01 . 3 . . . . 18 TYR QE . 18193 1 212 . 1 1 18 18 TYR C C 13 176.467 0.1 . 1 . . . . 18 TYR C . 18193 1 213 . 1 1 18 18 TYR CA C 13 58.975 0.1 . 1 . . . . 18 TYR CA . 18193 1 214 . 1 1 18 18 TYR CB C 13 37.726 0.1 . 1 . . . . 18 TYR CB . 18193 1 215 . 1 1 18 18 TYR CD1 C 13 132.500 0.1 . 3 . . . . 18 TYR CD1 . 18193 1 216 . 1 1 18 18 TYR CD2 C 13 132.500 0.1 . 3 . . . . 18 TYR CD2 . 18193 1 217 . 1 1 18 18 TYR CE1 C 13 117.960 0.1 . 3 . . . . 18 TYR CE1 . 18193 1 218 . 1 1 18 18 TYR CE2 C 13 117.960 0.1 . 3 . . . . 18 TYR CE2 . 18193 1 219 . 1 1 18 18 TYR N N 15 125.833 0.1 . 1 . . . . 18 TYR N . 18193 1 220 . 1 1 19 19 GLY H H 1 7.509 0.01 . 1 . . . . 19 GLY H . 18193 1 221 . 1 1 19 19 GLY HA2 H 1 3.568 0.01 . 2 . . . . 19 GLY HA2 . 18193 1 222 . 1 1 19 19 GLY HA3 H 1 4.355 0.01 . 2 . . . . 19 GLY HA3 . 18193 1 223 . 1 1 19 19 GLY C C 13 172.404 0.1 . 1 . . . . 19 GLY C . 18193 1 224 . 1 1 19 19 GLY CA C 13 44.656 0.1 . 1 . . . . 19 GLY CA . 18193 1 225 . 1 1 19 19 GLY N N 15 106.143 0.1 . 1 . . . . 19 GLY N . 18193 1 226 . 1 1 20 20 VAL H H 1 8.315 0.01 . 1 . . . . 20 VAL H . 18193 1 227 . 1 1 20 20 VAL HA H 1 4.831 0.01 . 1 . . . . 20 VAL HA . 18193 1 228 . 1 1 20 20 VAL HB H 1 2.024 0.01 . 1 . . . . 20 VAL HB . 18193 1 229 . 1 1 20 20 VAL HG11 H 1 0.973 0.01 . 2 . . . . 20 VAL QG1 . 18193 1 230 . 1 1 20 20 VAL HG12 H 1 0.973 0.01 . 2 . . . . 20 VAL QG1 . 18193 1 231 . 1 1 20 20 VAL HG13 H 1 0.973 0.01 . 2 . . . . 20 VAL QG1 . 18193 1 232 . 1 1 20 20 VAL HG21 H 1 1.018 0.01 . 2 . . . . 20 VAL QG2 . 18193 1 233 . 1 1 20 20 VAL HG22 H 1 1.018 0.01 . 2 . . . . 20 VAL QG2 . 18193 1 234 . 1 1 20 20 VAL HG23 H 1 1.018 0.01 . 2 . . . . 20 VAL QG2 . 18193 1 235 . 1 1 20 20 VAL C C 13 176.809 0.1 . 1 . . . . 20 VAL C . 18193 1 236 . 1 1 20 20 VAL CA C 13 62.323 0.1 . 1 . . . . 20 VAL CA . 18193 1 237 . 1 1 20 20 VAL CB C 13 32.142 0.1 . 1 . . . . 20 VAL CB . 18193 1 238 . 1 1 20 20 VAL CG1 C 13 21.243 0.1 . 2 . . . . 20 VAL CG1 . 18193 1 239 . 1 1 20 20 VAL CG2 C 13 21.777 0.1 . 2 . . . . 20 VAL CG2 . 18193 1 240 . 1 1 20 20 VAL N N 15 123.116 0.1 . 1 . . . . 20 VAL N . 18193 1 241 . 1 1 21 21 GLY H H 1 9.215 0.01 . 1 . . . . 21 GLY H . 18193 1 242 . 1 1 21 21 GLY HA2 H 1 3.115 0.01 . 2 . . . . 21 GLY HA2 . 18193 1 243 . 1 1 21 21 GLY HA3 H 1 4.528 0.01 . 2 . . . . 21 GLY HA3 . 18193 1 244 . 1 1 21 21 GLY C C 13 171.977 0.1 . 1 . . . . 21 GLY C . 18193 1 245 . 1 1 21 21 GLY CA C 13 44.773 0.1 . 1 . . . . 21 GLY CA . 18193 1 246 . 1 1 21 21 GLY N N 15 116.209 0.1 . 1 . . . . 21 GLY N . 18193 1 247 . 1 1 22 22 VAL H H 1 8.556 0.01 . 1 . . . . 22 VAL H . 18193 1 248 . 1 1 22 22 VAL HA H 1 5.042 0.01 . 1 . . . . 22 VAL HA . 18193 1 249 . 1 1 22 22 VAL HB H 1 1.743 0.01 . 1 . . . . 22 VAL HB . 18193 1 250 . 1 1 22 22 VAL HG11 H 1 0.752 0.01 . 2 . . . . 22 VAL QG1 . 18193 1 251 . 1 1 22 22 VAL HG12 H 1 0.752 0.01 . 2 . . . . 22 VAL QG1 . 18193 1 252 . 1 1 22 22 VAL HG13 H 1 0.752 0.01 . 2 . . . . 22 VAL QG1 . 18193 1 253 . 1 1 22 22 VAL HG21 H 1 0.776 0.01 . 2 . . . . 22 VAL QG2 . 18193 1 254 . 1 1 22 22 VAL HG22 H 1 0.776 0.01 . 2 . . . . 22 VAL QG2 . 18193 1 255 . 1 1 22 22 VAL HG23 H 1 0.776 0.01 . 2 . . . . 22 VAL QG2 . 18193 1 256 . 1 1 22 22 VAL C C 13 175.271 0.1 . 1 . . . . 22 VAL C . 18193 1 257 . 1 1 22 22 VAL CA C 13 59.315 0.1 . 1 . . . . 22 VAL CA . 18193 1 258 . 1 1 22 22 VAL CB C 13 35.791 0.1 . 1 . . . . 22 VAL CB . 18193 1 259 . 1 1 22 22 VAL CG1 C 13 20.307 0.1 . 2 . . . . 22 VAL CG1 . 18193 1 260 . 1 1 22 22 VAL CG2 C 13 21.027 0.1 . 2 . . . . 22 VAL CG2 . 18193 1 261 . 1 1 22 22 VAL N N 15 118.707 0.1 . 1 . . . . 22 VAL N . 18193 1 262 . 1 1 23 23 VAL H H 1 8.635 0.01 . 1 . . . . 23 VAL H . 18193 1 263 . 1 1 23 23 VAL HA H 1 3.939 0.01 . 1 . . . . 23 VAL HA . 18193 1 264 . 1 1 23 23 VAL HB H 1 2.267 0.01 . 1 . . . . 23 VAL HB . 18193 1 265 . 1 1 23 23 VAL HG11 H 1 0.643 0.01 . 2 . . . . 23 VAL QG1 . 18193 1 266 . 1 1 23 23 VAL HG12 H 1 0.643 0.01 . 2 . . . . 23 VAL QG1 . 18193 1 267 . 1 1 23 23 VAL HG13 H 1 0.643 0.01 . 2 . . . . 23 VAL QG1 . 18193 1 268 . 1 1 23 23 VAL HG21 H 1 0.719 0.01 . 2 . . . . 23 VAL QG2 . 18193 1 269 . 1 1 23 23 VAL HG22 H 1 0.719 0.01 . 2 . . . . 23 VAL QG2 . 18193 1 270 . 1 1 23 23 VAL HG23 H 1 0.719 0.01 . 2 . . . . 23 VAL QG2 . 18193 1 271 . 1 1 23 23 VAL C C 13 175.500 0.1 . 1 . . . . 23 VAL C . 18193 1 272 . 1 1 23 23 VAL CA C 13 63.792 0.1 . 1 . . . . 23 VAL CA . 18193 1 273 . 1 1 23 23 VAL CB C 13 31.059 0.1 . 1 . . . . 23 VAL CB . 18193 1 274 . 1 1 23 23 VAL CG1 C 13 22.766 0.1 . 2 . . . . 23 VAL CG1 . 18193 1 275 . 1 1 23 23 VAL CG2 C 13 21.389 0.1 . 2 . . . . 23 VAL CG2 . 18193 1 276 . 1 1 23 23 VAL N N 15 126.462 0.1 . 1 . . . . 23 VAL N . 18193 1 277 . 1 1 24 24 ALA H H 1 9.451 0.01 . 1 . . . . 24 ALA H . 18193 1 278 . 1 1 24 24 ALA HA H 1 4.476 0.01 . 1 . . . . 24 ALA HA . 18193 1 279 . 1 1 24 24 ALA HB1 H 1 1.267 0.01 . 1 . . . . 24 ALA QB . 18193 1 280 . 1 1 24 24 ALA HB2 H 1 1.267 0.01 . 1 . . . . 24 ALA QB . 18193 1 281 . 1 1 24 24 ALA HB3 H 1 1.267 0.01 . 1 . . . . 24 ALA QB . 18193 1 282 . 1 1 24 24 ALA C C 13 177.849 0.1 . 1 . . . . 24 ALA C . 18193 1 283 . 1 1 24 24 ALA CA C 13 52.654 0.1 . 1 . . . . 24 ALA CA . 18193 1 284 . 1 1 24 24 ALA CB C 13 20.467 0.1 . 1 . . . . 24 ALA CB . 18193 1 285 . 1 1 24 24 ALA N N 15 134.474 0.1 . 1 . . . . 24 ALA N . 18193 1 286 . 1 1 25 25 GLY H H 1 7.365 0.01 . 1 . . . . 25 GLY H . 18193 1 287 . 1 1 25 25 GLY HA2 H 1 3.869 0.01 . 2 . . . . 25 GLY HA2 . 18193 1 288 . 1 1 25 25 GLY HA3 H 1 4.326 0.01 . 2 . . . . 25 GLY HA3 . 18193 1 289 . 1 1 25 25 GLY C C 13 170.553 0.1 . 1 . . . . 25 GLY C . 18193 1 290 . 1 1 25 25 GLY CA C 13 44.721 0.1 . 1 . . . . 25 GLY CA . 18193 1 291 . 1 1 25 25 GLY N N 15 102.534 0.1 . 1 . . . . 25 GLY N . 18193 1 292 . 1 1 26 26 ILE H H 1 8.516 0.01 . 1 . . . . 26 ILE H . 18193 1 293 . 1 1 26 26 ILE HA H 1 4.986 0.01 . 1 . . . . 26 ILE HA . 18193 1 294 . 1 1 26 26 ILE HB H 1 1.682 0.01 . 1 . . . . 26 ILE HB . 18193 1 295 . 1 1 26 26 ILE HG12 H 1 0.976 0.01 . 2 . . . . 26 ILE HG12 . 18193 1 296 . 1 1 26 26 ILE HG13 H 1 1.522 0.01 . 2 . . . . 26 ILE HG13 . 18193 1 297 . 1 1 26 26 ILE HG21 H 1 0.707 0.01 . 1 . . . . 26 ILE QG2 . 18193 1 298 . 1 1 26 26 ILE HG22 H 1 0.707 0.01 . 1 . . . . 26 ILE QG2 . 18193 1 299 . 1 1 26 26 ILE HG23 H 1 0.707 0.01 . 1 . . . . 26 ILE QG2 . 18193 1 300 . 1 1 26 26 ILE HD11 H 1 0.881 0.01 . 1 . . . . 26 ILE QD1 . 18193 1 301 . 1 1 26 26 ILE HD12 H 1 0.881 0.01 . 1 . . . . 26 ILE QD1 . 18193 1 302 . 1 1 26 26 ILE HD13 H 1 0.881 0.01 . 1 . . . . 26 ILE QD1 . 18193 1 303 . 1 1 26 26 ILE C C 13 175.354 0.1 . 1 . . . . 26 ILE C . 18193 1 304 . 1 1 26 26 ILE CA C 13 60.231 0.1 . 1 . . . . 26 ILE CA . 18193 1 305 . 1 1 26 26 ILE CB C 13 39.715 0.1 . 1 . . . . 26 ILE CB . 18193 1 306 . 1 1 26 26 ILE CG1 C 13 28.845 0.1 . 1 . . . . 26 ILE CG1 . 18193 1 307 . 1 1 26 26 ILE CG2 C 13 18.097 0.1 . 1 . . . . 26 ILE CG2 . 18193 1 308 . 1 1 26 26 ILE CD1 C 13 13.201 0.1 . 1 . . . . 26 ILE CD1 . 18193 1 309 . 1 1 26 26 ILE N N 15 120.852 0.1 . 1 . . . . 26 ILE N . 18193 1 310 . 1 1 27 27 ALA H H 1 9.568 0.01 . 1 . . . . 27 ALA H . 18193 1 311 . 1 1 27 27 ALA HA H 1 4.805 0.01 . 1 . . . . 27 ALA HA . 18193 1 312 . 1 1 27 27 ALA HB1 H 1 1.413 0.01 . 1 . . . . 27 ALA QB . 18193 1 313 . 1 1 27 27 ALA HB2 H 1 1.413 0.01 . 1 . . . . 27 ALA QB . 18193 1 314 . 1 1 27 27 ALA HB3 H 1 1.413 0.01 . 1 . . . . 27 ALA QB . 18193 1 315 . 1 1 27 27 ALA C C 13 176.114 0.1 . 1 . . . . 27 ALA C . 18193 1 316 . 1 1 27 27 ALA CA C 13 50.462 0.1 . 1 . . . . 27 ALA CA . 18193 1 317 . 1 1 27 27 ALA CB C 13 22.396 0.1 . 1 . . . . 27 ALA CB . 18193 1 318 . 1 1 27 27 ALA N N 15 130.918 0.1 . 1 . . . . 27 ALA N . 18193 1 319 . 1 1 28 28 GLN H H 1 8.700 0.01 . 1 . . . . 28 GLN H . 18193 1 320 . 1 1 28 28 GLN HA H 1 4.977 0.01 . 1 . . . . 28 GLN HA . 18193 1 321 . 1 1 28 28 GLN HB2 H 1 1.916 0.01 . 2 . . . . 28 GLN QB . 18193 1 322 . 1 1 28 28 GLN HB3 H 1 1.916 0.01 . 2 . . . . 28 GLN QB . 18193 1 323 . 1 1 28 28 GLN HG2 H 1 2.250 0.01 . 2 . . . . 28 GLN QG . 18193 1 324 . 1 1 28 28 GLN HG3 H 1 2.250 0.01 . 2 . . . . 28 GLN QG . 18193 1 325 . 1 1 28 28 GLN HE21 H 1 6.597 0.01 . 2 . . . . 28 GLN HE21 . 18193 1 326 . 1 1 28 28 GLN HE22 H 1 7.331 0.01 . 2 . . . . 28 GLN HE22 . 18193 1 327 . 1 1 28 28 GLN C C 13 176.322 0.1 . 1 . . . . 28 GLN C . 18193 1 328 . 1 1 28 28 GLN CA C 13 54.731 0.1 . 1 . . . . 28 GLN CA . 18193 1 329 . 1 1 28 28 GLN CB C 13 28.889 0.1 . 1 . . . . 28 GLN CB . 18193 1 330 . 1 1 28 28 GLN CG C 13 33.182 0.1 . 1 . . . . 28 GLN CG . 18193 1 331 . 1 1 28 28 GLN N N 15 121.731 0.1 . 1 . . . . 28 GLN N . 18193 1 332 . 1 1 28 28 GLN NE2 N 15 110.103 0.1 . 1 . . . . 28 GLN NE2 . 18193 1 333 . 1 1 29 29 ARG H H 1 9.022 0.01 . 1 . . . . 29 ARG H . 18193 1 334 . 1 1 29 29 ARG HA H 1 4.606 0.01 . 1 . . . . 29 ARG HA . 18193 1 335 . 1 1 29 29 ARG HB2 H 1 1.400 0.01 . 2 . . . . 29 ARG HB2 . 18193 1 336 . 1 1 29 29 ARG HB3 H 1 1.598 0.01 . 2 . . . . 29 ARG HB3 . 18193 1 337 . 1 1 29 29 ARG HG2 H 1 1.046 0.01 . 2 . . . . 29 ARG HG2 . 18193 1 338 . 1 1 29 29 ARG HG3 H 1 1.259 0.01 . 2 . . . . 29 ARG HG3 . 18193 1 339 . 1 1 29 29 ARG HD2 H 1 1.965 0.01 . 2 . . . . 29 ARG HD2 . 18193 1 340 . 1 1 29 29 ARG HD3 H 1 2.280 0.01 . 2 . . . . 29 ARG HD3 . 18193 1 341 . 1 1 29 29 ARG CA C 13 54.683 0.1 . 1 . . . . 29 ARG CA . 18193 1 342 . 1 1 29 29 ARG CB C 13 33.634 0.1 . 1 . . . . 29 ARG CB . 18193 1 343 . 1 1 29 29 ARG CG C 13 26.748 0.1 . 1 . . . . 29 ARG CG . 18193 1 344 . 1 1 29 29 ARG CD C 13 42.506 0.1 . 1 . . . . 29 ARG CD . 18193 1 345 . 1 1 29 29 ARG N N 15 123.391 0.1 . 1 . . . . 29 ARG N . 18193 1 346 . 1 1 30 30 SER HA H 1 5.044 0.01 . 1 . . . . 30 SER HA . 18193 1 347 . 1 1 30 30 SER HB2 H 1 3.601 0.01 . 2 . . . . 30 SER HB2 . 18193 1 348 . 1 1 30 30 SER HB3 H 1 3.662 0.01 . 2 . . . . 30 SER HB3 . 18193 1 349 . 1 1 30 30 SER C C 13 174.637 0.1 . 1 . . . . 30 SER C . 18193 1 350 . 1 1 30 30 SER CA C 13 57.083 0.1 . 1 . . . . 30 SER CA . 18193 1 351 . 1 1 30 30 SER CB C 13 63.386 0.1 . 1 . . . . 30 SER CB . 18193 1 352 . 1 1 31 31 VAL H H 1 8.440 0.01 . 1 . . . . 31 VAL H . 18193 1 353 . 1 1 31 31 VAL HA H 1 4.177 0.01 . 1 . . . . 31 VAL HA . 18193 1 354 . 1 1 31 31 VAL HB H 1 2.017 0.01 . 1 . . . . 31 VAL HB . 18193 1 355 . 1 1 31 31 VAL HG11 H 1 0.796 0.01 . 2 . . . . 31 VAL QG1 . 18193 1 356 . 1 1 31 31 VAL HG12 H 1 0.796 0.01 . 2 . . . . 31 VAL QG1 . 18193 1 357 . 1 1 31 31 VAL HG13 H 1 0.796 0.01 . 2 . . . . 31 VAL QG1 . 18193 1 358 . 1 1 31 31 VAL HG21 H 1 0.942 0.01 . 2 . . . . 31 VAL QG2 . 18193 1 359 . 1 1 31 31 VAL HG22 H 1 0.942 0.01 . 2 . . . . 31 VAL QG2 . 18193 1 360 . 1 1 31 31 VAL HG23 H 1 0.942 0.01 . 2 . . . . 31 VAL QG2 . 18193 1 361 . 1 1 31 31 VAL CA C 13 62.055 0.1 . 1 . . . . 31 VAL CA . 18193 1 362 . 1 1 31 31 VAL CB C 13 33.955 0.1 . 1 . . . . 31 VAL CB . 18193 1 363 . 1 1 31 31 VAL CG1 C 13 20.399 0.1 . 2 . . . . 31 VAL CG1 . 18193 1 364 . 1 1 31 31 VAL CG2 C 13 20.673 0.1 . 2 . . . . 31 VAL CG2 . 18193 1 365 . 1 1 31 31 VAL N N 15 126.833 0.1 . 1 . . . . 31 VAL N . 18193 1 366 . 1 1 32 32 SER HA H 1 4.071 0.01 . 1 . . . . 32 SER HA . 18193 1 367 . 1 1 32 32 SER HB2 H 1 3.894 0.01 . 2 . . . . 32 SER HB2 . 18193 1 368 . 1 1 32 32 SER HB3 H 1 4.143 0.01 . 2 . . . . 32 SER HB3 . 18193 1 369 . 1 1 32 32 SER CA C 13 58.625 0.1 . 1 . . . . 32 SER CA . 18193 1 370 . 1 1 32 32 SER CB C 13 62.256 0.1 . 1 . . . . 32 SER CB . 18193 1 371 . 1 1 33 33 GLY H H 1 8.436 0.01 . 1 . . . . 33 GLY H . 18193 1 372 . 1 1 33 33 GLY HA2 H 1 3.540 0.01 . 2 . . . . 33 GLY HA2 . 18193 1 373 . 1 1 33 33 GLY HA3 H 1 4.182 0.01 . 2 . . . . 33 GLY HA3 . 18193 1 374 . 1 1 33 33 GLY C C 13 173.803 0.1 . 1 . . . . 33 GLY C . 18193 1 375 . 1 1 33 33 GLY CA C 13 45.020 0.1 . 1 . . . . 33 GLY CA . 18193 1 376 . 1 1 33 33 GLY N N 15 104.711 0.1 . 1 . . . . 33 GLY N . 18193 1 377 . 1 1 34 34 VAL H H 1 7.649 0.01 . 1 . . . . 34 VAL H . 18193 1 378 . 1 1 34 34 VAL HA H 1 4.269 0.01 . 1 . . . . 34 VAL HA . 18193 1 379 . 1 1 34 34 VAL HB H 1 2.059 0.01 . 1 . . . . 34 VAL HB . 18193 1 380 . 1 1 34 34 VAL HG11 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 381 . 1 1 34 34 VAL HG12 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 382 . 1 1 34 34 VAL HG13 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 383 . 1 1 34 34 VAL HG21 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 384 . 1 1 34 34 VAL HG22 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 385 . 1 1 34 34 VAL HG23 H 1 0.902 0.01 . 2 . . . . 34 VAL QQG . 18193 1 386 . 1 1 34 34 VAL C C 13 175.333 0.1 . 1 . . . . 34 VAL C . 18193 1 387 . 1 1 34 34 VAL CA C 13 61.276 0.1 . 1 . . . . 34 VAL CA . 18193 1 388 . 1 1 34 34 VAL CB C 13 34.080 0.1 . 1 . . . . 34 VAL CB . 18193 1 389 . 1 1 34 34 VAL CG1 C 13 20.541 0.1 . 2 . . . . 34 VAL CG1 . 18193 1 390 . 1 1 34 34 VAL N N 15 120.778 0.1 . 1 . . . . 34 VAL N . 18193 1 391 . 1 1 35 35 SER H H 1 8.724 0.01 . 1 . . . . 35 SER H . 18193 1 392 . 1 1 35 35 SER HA H 1 4.962 0.01 . 1 . . . . 35 SER HA . 18193 1 393 . 1 1 35 35 SER HB2 H 1 3.669 0.01 . 2 . . . . 35 SER HB2 . 18193 1 394 . 1 1 35 35 SER HB3 H 1 3.757 0.01 . 2 . . . . 35 SER HB3 . 18193 1 395 . 1 1 35 35 SER C C 13 174.268 0.1 . 1 . . . . 35 SER C . 18193 1 396 . 1 1 35 35 SER CA C 13 58.038 0.1 . 1 . . . . 35 SER CA . 18193 1 397 . 1 1 35 35 SER CB C 13 63.420 0.1 . 1 . . . . 35 SER CB . 18193 1 398 . 1 1 35 35 SER N N 15 122.738 0.1 . 1 . . . . 35 SER N . 18193 1 399 . 1 1 36 36 ARG H H 1 8.794 0.01 . 1 . . . . 36 ARG H . 18193 1 400 . 1 1 36 36 ARG HA H 1 4.639 0.01 . 1 . . . . 36 ARG HA . 18193 1 401 . 1 1 36 36 ARG HB2 H 1 1.758 0.01 . 2 . . . . 36 ARG HB2 . 18193 1 402 . 1 1 36 36 ARG HB3 H 1 1.790 0.01 . 2 . . . . 36 ARG HB3 . 18193 1 403 . 1 1 36 36 ARG HG2 H 1 1.524 0.01 . 2 . . . . 36 ARG HG2 . 18193 1 404 . 1 1 36 36 ARG HG3 H 1 1.575 0.01 . 2 . . . . 36 ARG HG3 . 18193 1 405 . 1 1 36 36 ARG HD2 H 1 3.137 0.01 . 2 . . . . 36 ARG QD . 18193 1 406 . 1 1 36 36 ARG HD3 H 1 3.137 0.01 . 2 . . . . 36 ARG QD . 18193 1 407 . 1 1 36 36 ARG C C 13 173.459 0.1 . 1 . . . . 36 ARG C . 18193 1 408 . 1 1 36 36 ARG CA C 13 54.468 0.1 . 1 . . . . 36 ARG CA . 18193 1 409 . 1 1 36 36 ARG CB C 13 34.179 0.1 . 1 . . . . 36 ARG CB . 18193 1 410 . 1 1 36 36 ARG CG C 13 26.820 0.1 . 1 . . . . 36 ARG CG . 18193 1 411 . 1 1 36 36 ARG CD C 13 43.421 0.1 . 1 . . . . 36 ARG CD . 18193 1 412 . 1 1 36 36 ARG N N 15 126.108 0.1 . 1 . . . . 36 ARG N . 18193 1 413 . 1 1 37 37 ALA H H 1 8.244 0.01 . 1 . . . . 37 ALA H . 18193 1 414 . 1 1 37 37 ALA HA H 1 4.806 0.01 . 1 . . . . 37 ALA HA . 18193 1 415 . 1 1 37 37 ALA HB1 H 1 1.178 0.01 . 1 . . . . 37 ALA QB . 18193 1 416 . 1 1 37 37 ALA HB2 H 1 1.178 0.01 . 1 . . . . 37 ALA QB . 18193 1 417 . 1 1 37 37 ALA HB3 H 1 1.178 0.01 . 1 . . . . 37 ALA QB . 18193 1 418 . 1 1 37 37 ALA C C 13 177.674 0.1 . 1 . . . . 37 ALA C . 18193 1 419 . 1 1 37 37 ALA CA C 13 51.552 0.1 . 1 . . . . 37 ALA CA . 18193 1 420 . 1 1 37 37 ALA CB C 13 19.762 0.1 . 1 . . . . 37 ALA CB . 18193 1 421 . 1 1 37 37 ALA N N 15 122.392 0.1 . 1 . . . . 37 ALA N . 18193 1 422 . 1 1 38 38 TYR H H 1 9.195 0.01 . 1 . . . . 38 TYR H . 18193 1 423 . 1 1 38 38 TYR HA H 1 4.915 0.01 . 1 . . . . 38 TYR HA . 18193 1 424 . 1 1 38 38 TYR HB2 H 1 2.688 0.01 . 2 . . . . 38 TYR HB2 . 18193 1 425 . 1 1 38 38 TYR HB3 H 1 2.834 0.01 . 2 . . . . 38 TYR HB3 . 18193 1 426 . 1 1 38 38 TYR HD1 H 1 6.878 0.01 . 3 . . . . 38 TYR QD . 18193 1 427 . 1 1 38 38 TYR HD2 H 1 6.878 0.01 . 3 . . . . 38 TYR QD . 18193 1 428 . 1 1 38 38 TYR HE1 H 1 6.773 0.01 . 3 . . . . 38 TYR QE . 18193 1 429 . 1 1 38 38 TYR HE2 H 1 6.773 0.01 . 3 . . . . 38 TYR QE . 18193 1 430 . 1 1 38 38 TYR C C 13 175.964 0.1 . 1 . . . . 38 TYR C . 18193 1 431 . 1 1 38 38 TYR CA C 13 56.971 0.1 . 1 . . . . 38 TYR CA . 18193 1 432 . 1 1 38 38 TYR CB C 13 42.199 0.1 . 1 . . . . 38 TYR CB . 18193 1 433 . 1 1 38 38 TYR CD1 C 13 133.174 0.1 . 3 . . . . 38 TYR CD1 . 18193 1 434 . 1 1 38 38 TYR CE1 C 13 118.605 0.1 . 3 . . . . 38 TYR CE1 . 18193 1 435 . 1 1 38 38 TYR N N 15 120.403 0.1 . 1 . . . . 38 TYR N . 18193 1 436 . 1 1 39 39 TYR H H 1 9.754 0.01 . 1 . . . . 39 TYR H . 18193 1 437 . 1 1 39 39 TYR HA H 1 4.923 0.01 . 1 . . . . 39 TYR HA . 18193 1 438 . 1 1 39 39 TYR HB2 H 1 2.664 0.01 . 2 . . . . 39 TYR HB2 . 18193 1 439 . 1 1 39 39 TYR HB3 H 1 2.714 0.01 . 2 . . . . 39 TYR HB3 . 18193 1 440 . 1 1 39 39 TYR HD1 H 1 6.785 0.01 . 3 . . . . 39 TYR QD . 18193 1 441 . 1 1 39 39 TYR HD2 H 1 6.785 0.01 . 3 . . . . 39 TYR QD . 18193 1 442 . 1 1 39 39 TYR HE1 H 1 6.980 0.01 . 3 . . . . 39 TYR QE . 18193 1 443 . 1 1 39 39 TYR HE2 H 1 6.980 0.01 . 3 . . . . 39 TYR QE . 18193 1 444 . 1 1 39 39 TYR C C 13 175.856 0.1 . 1 . . . . 39 TYR C . 18193 1 445 . 1 1 39 39 TYR CA C 13 58.324 0.1 . 1 . . . . 39 TYR CA . 18193 1 446 . 1 1 39 39 TYR CB C 13 39.159 0.1 . 1 . . . . 39 TYR CB . 18193 1 447 . 1 1 39 39 TYR CD1 C 13 132.684 0.1 . 3 . . . . 39 TYR CD1 . 18193 1 448 . 1 1 39 39 TYR CD2 C 13 132.684 0.1 . 3 . . . . 39 TYR CD2 . 18193 1 449 . 1 1 39 39 TYR CE1 C 13 119.268 0.1 . 3 . . . . 39 TYR CE1 . 18193 1 450 . 1 1 39 39 TYR CE2 C 13 119.268 0.1 . 3 . . . . 39 TYR CE2 . 18193 1 451 . 1 1 39 39 TYR N N 15 120.338 0.1 . 1 . . . . 39 TYR N . 18193 1 452 . 1 1 40 40 GLN H H 1 8.875 0.01 . 1 . . . . 40 GLN H . 18193 1 453 . 1 1 40 40 GLN HA H 1 4.528 0.01 . 1 . . . . 40 GLN HA . 18193 1 454 . 1 1 40 40 GLN HB2 H 1 1.769 0.01 . 2 . . . . 40 GLN HB2 . 18193 1 455 . 1 1 40 40 GLN HB3 H 1 1.956 0.01 . 2 . . . . 40 GLN HB3 . 18193 1 456 . 1 1 40 40 GLN HG2 H 1 1.694 0.01 . 2 . . . . 40 GLN HG2 . 18193 1 457 . 1 1 40 40 GLN HG3 H 1 1.755 0.01 . 2 . . . . 40 GLN HG3 . 18193 1 458 . 1 1 40 40 GLN HE21 H 1 6.774 0.01 . 2 . . . . 40 GLN HE21 . 18193 1 459 . 1 1 40 40 GLN HE22 H 1 8.536 0.01 . 2 . . . . 40 GLN HE22 . 18193 1 460 . 1 1 40 40 GLN C C 13 174.099 0.1 . 1 . . . . 40 GLN C . 18193 1 461 . 1 1 40 40 GLN CA C 13 54.715 0.1 . 1 . . . . 40 GLN CA . 18193 1 462 . 1 1 40 40 GLN CB C 13 29.810 0.1 . 1 . . . . 40 GLN CB . 18193 1 463 . 1 1 40 40 GLN CG C 13 33.364 0.1 . 1 . . . . 40 GLN CG . 18193 1 464 . 1 1 40 40 GLN N N 15 125.003 0.1 . 1 . . . . 40 GLN N . 18193 1 465 . 1 1 40 40 GLN NE2 N 15 116.508 0.1 . 1 . . . . 40 GLN NE2 . 18193 1 466 . 1 1 41 41 VAL H H 1 9.089 0.01 . 1 . . . . 41 VAL H . 18193 1 467 . 1 1 41 41 VAL HA H 1 4.227 0.01 . 1 . . . . 41 VAL HA . 18193 1 468 . 1 1 41 41 VAL HB H 1 1.541 0.01 . 1 . . . . 41 VAL HB . 18193 1 469 . 1 1 41 41 VAL HG11 H 1 -0.052 0.01 . 2 . . . . 41 VAL QG1 . 18193 1 470 . 1 1 41 41 VAL HG12 H 1 -0.052 0.01 . 2 . . . . 41 VAL QG1 . 18193 1 471 . 1 1 41 41 VAL HG13 H 1 -0.052 0.01 . 2 . . . . 41 VAL QG1 . 18193 1 472 . 1 1 41 41 VAL HG21 H 1 0.537 0.01 . 2 . . . . 41 VAL QG2 . 18193 1 473 . 1 1 41 41 VAL HG22 H 1 0.537 0.01 . 2 . . . . 41 VAL QG2 . 18193 1 474 . 1 1 41 41 VAL HG23 H 1 0.537 0.01 . 2 . . . . 41 VAL QG2 . 18193 1 475 . 1 1 41 41 VAL C C 13 173.027 0.1 . 1 . . . . 41 VAL C . 18193 1 476 . 1 1 41 41 VAL CA C 13 61.015 0.1 . 1 . . . . 41 VAL CA . 18193 1 477 . 1 1 41 41 VAL CB C 13 32.787 0.1 . 1 . . . . 41 VAL CB . 18193 1 478 . 1 1 41 41 VAL CG1 C 13 22.890 0.1 . 2 . . . . 41 VAL CG1 . 18193 1 479 . 1 1 41 41 VAL CG2 C 13 20.930 0.1 . 2 . . . . 41 VAL CG2 . 18193 1 480 . 1 1 41 41 VAL N N 15 129.522 0.1 . 1 . . . . 41 VAL N . 18193 1 481 . 1 1 42 42 ASP H H 1 8.342 0.01 . 1 . . . . 42 ASP H . 18193 1 482 . 1 1 42 42 ASP HA H 1 4.806 0.01 . 1 . . . . 42 ASP HA . 18193 1 483 . 1 1 42 42 ASP HB2 H 1 2.322 0.01 . 2 . . . . 42 ASP HB2 . 18193 1 484 . 1 1 42 42 ASP HB3 H 1 2.409 0.01 . 2 . . . . 42 ASP HB3 . 18193 1 485 . 1 1 42 42 ASP C C 13 175.292 0.1 . 1 . . . . 42 ASP C . 18193 1 486 . 1 1 42 42 ASP CA C 13 52.835 0.1 . 1 . . . . 42 ASP CA . 18193 1 487 . 1 1 42 42 ASP CB C 13 42.890 0.1 . 1 . . . . 42 ASP CB . 18193 1 488 . 1 1 42 42 ASP N N 15 125.607 0.1 . 1 . . . . 42 ASP N . 18193 1 489 . 1 1 43 43 PHE H H 1 8.332 0.01 . 1 . . . . 43 PHE H . 18193 1 490 . 1 1 43 43 PHE HA H 1 5.048 0.01 . 1 . . . . 43 PHE HA . 18193 1 491 . 1 1 43 43 PHE HB2 H 1 2.697 0.01 . 2 . . . . 43 PHE HB2 . 18193 1 492 . 1 1 43 43 PHE HB3 H 1 3.099 0.01 . 2 . . . . 43 PHE HB3 . 18193 1 493 . 1 1 43 43 PHE HD1 H 1 6.887 0.01 . 3 . . . . 43 PHE QD . 18193 1 494 . 1 1 43 43 PHE HD2 H 1 6.887 0.01 . 3 . . . . 43 PHE QD . 18193 1 495 . 1 1 43 43 PHE HE1 H 1 6.769 0.01 . 3 . . . . 43 PHE QE . 18193 1 496 . 1 1 43 43 PHE HE2 H 1 6.769 0.01 . 3 . . . . 43 PHE QE . 18193 1 497 . 1 1 43 43 PHE HZ H 1 6.772 0.01 . 1 . . . . 43 PHE HZ . 18193 1 498 . 1 1 43 43 PHE CA C 13 55.333 0.1 . 1 . . . . 43 PHE CA . 18193 1 499 . 1 1 43 43 PHE CB C 13 39.362 0.1 . 1 . . . . 43 PHE CB . 18193 1 500 . 1 1 43 43 PHE CD1 C 13 132.400 0.1 . 3 . . . . 43 PHE CD1 . 18193 1 501 . 1 1 43 43 PHE CD2 C 13 132.400 0.1 . 3 . . . . 43 PHE CD2 . 18193 1 502 . 1 1 43 43 PHE CE1 C 13 130.453 0.1 . 3 . . . . 43 PHE CE1 . 18193 1 503 . 1 1 43 43 PHE CE2 C 13 130.453 0.1 . 3 . . . . 43 PHE CE2 . 18193 1 504 . 1 1 43 43 PHE CZ C 13 129.244 0.1 . 1 . . . . 43 PHE CZ . 18193 1 505 . 1 1 43 43 PHE N N 15 119.497 0.1 . 1 . . . . 43 PHE N . 18193 1 506 . 1 1 44 44 PRO HA H 1 4.408 0.01 . 1 . . . . 44 PRO HA . 18193 1 507 . 1 1 44 44 PRO HB2 H 1 2.013 0.01 . 2 . . . . 44 PRO HB2 . 18193 1 508 . 1 1 44 44 PRO HB3 H 1 2.360 0.01 . 2 . . . . 44 PRO HB3 . 18193 1 509 . 1 1 44 44 PRO HG2 H 1 2.031 0.01 . 2 . . . . 44 PRO HG2 . 18193 1 510 . 1 1 44 44 PRO HG3 H 1 2.142 0.01 . 2 . . . . 44 PRO HG3 . 18193 1 511 . 1 1 44 44 PRO HD2 H 1 3.834 0.01 . 2 . . . . 44 PRO HD2 . 18193 1 512 . 1 1 44 44 PRO HD3 H 1 4.064 0.01 . 2 . . . . 44 PRO HD3 . 18193 1 513 . 1 1 44 44 PRO C C 13 175.858 0.1 . 1 . . . . 44 PRO C . 18193 1 514 . 1 1 44 44 PRO CA C 13 64.188 0.1 . 1 . . . . 44 PRO CA . 18193 1 515 . 1 1 44 44 PRO CB C 13 32.052 0.1 . 1 . . . . 44 PRO CB . 18193 1 516 . 1 1 44 44 PRO CG C 13 27.377 0.1 . 1 . . . . 44 PRO CG . 18193 1 517 . 1 1 44 44 PRO CD C 13 50.997 0.1 . 1 . . . . 44 PRO CD . 18193 1 518 . 1 1 45 45 GLY H H 1 7.921 0.01 . 1 . . . . 45 GLY H . 18193 1 519 . 1 1 45 45 GLY HA2 H 1 3.896 0.01 . 2 . . . . 45 GLY HA2 . 18193 1 520 . 1 1 45 45 GLY HA3 H 1 4.084 0.01 . 2 . . . . 45 GLY HA3 . 18193 1 521 . 1 1 45 45 GLY CA C 13 46.079 0.1 . 1 . . . . 45 GLY CA . 18193 1 522 . 1 1 45 45 GLY N N 15 115.989 0.1 . 1 . . . . 45 GLY N . 18193 1 523 . 1 1 46 46 SER H H 1 7.881 0.01 . 1 . . . . 46 SER H . 18193 1 524 . 1 1 46 46 SER HA H 1 4.681 0.01 . 1 . . . . 46 SER HA . 18193 1 525 . 1 1 46 46 SER HB2 H 1 3.849 0.01 . 2 . . . . 46 SER HB2 . 18193 1 526 . 1 1 46 46 SER HB3 H 1 4.003 0.01 . 2 . . . . 46 SER HB3 . 18193 1 527 . 1 1 46 46 SER CA C 13 57.213 0.1 . 1 . . . . 46 SER CA . 18193 1 528 . 1 1 46 46 SER CB C 13 64.673 0.1 . 1 . . . . 46 SER CB . 18193 1 529 . 1 1 46 46 SER N N 15 113.425 0.1 . 1 . . . . 46 SER N . 18193 1 530 . 1 1 47 47 ARG HA H 1 4.232 0.01 . 1 . . . . 47 ARG HA . 18193 1 531 . 1 1 47 47 ARG HB2 H 1 1.897 0.01 . 2 . . . . 47 ARG HB2 . 18193 1 532 . 1 1 47 47 ARG HB3 H 1 1.988 0.01 . 2 . . . . 47 ARG HB3 . 18193 1 533 . 1 1 47 47 ARG HG2 H 1 1.654 0.01 . 2 . . . . 47 ARG QG . 18193 1 534 . 1 1 47 47 ARG HG3 H 1 1.654 0.01 . 2 . . . . 47 ARG QG . 18193 1 535 . 1 1 47 47 ARG HD2 H 1 3.194 0.01 . 2 . . . . 47 ARG QD . 18193 1 536 . 1 1 47 47 ARG HD3 H 1 3.194 0.01 . 2 . . . . 47 ARG QD . 18193 1 537 . 1 1 47 47 ARG C C 13 176.101 0.1 . 1 . . . . 47 ARG C . 18193 1 538 . 1 1 47 47 ARG CA C 13 56.697 0.1 . 1 . . . . 47 ARG CA . 18193 1 539 . 1 1 47 47 ARG CB C 13 28.820 0.1 . 1 . . . . 47 ARG CB . 18193 1 540 . 1 1 47 47 ARG CG C 13 27.257 0.1 . 1 . . . . 47 ARG CG . 18193 1 541 . 1 1 47 47 ARG CD C 13 43.184 0.1 . 1 . . . . 47 ARG CD . 18193 1 542 . 1 1 48 48 SER H H 1 8.023 0.01 . 1 . . . . 48 SER H . 18193 1 543 . 1 1 48 48 SER HA H 1 4.698 0.01 . 1 . . . . 48 SER HA . 18193 1 544 . 1 1 48 48 SER HB2 H 1 3.730 0.01 . 2 . . . . 48 SER QB . 18193 1 545 . 1 1 48 48 SER HB3 H 1 3.730 0.01 . 2 . . . . 48 SER QB . 18193 1 546 . 1 1 48 48 SER C C 13 173.228 0.1 . 1 . . . . 48 SER C . 18193 1 547 . 1 1 48 48 SER CA C 13 58.280 0.1 . 1 . . . . 48 SER CA . 18193 1 548 . 1 1 48 48 SER CB C 13 64.879 0.1 . 1 . . . . 48 SER CB . 18193 1 549 . 1 1 48 48 SER N N 15 114.466 0.1 . 1 . . . . 48 SER N . 18193 1 550 . 1 1 49 49 LYS H H 1 8.333 0.01 . 1 . . . . 49 LYS H . 18193 1 551 . 1 1 49 49 LYS HA H 1 5.154 0.01 . 1 . . . . 49 LYS HA . 18193 1 552 . 1 1 49 49 LYS HB2 H 1 1.493 0.01 . 2 . . . . 49 LYS QB . 18193 1 553 . 1 1 49 49 LYS HB3 H 1 1.493 0.01 . 2 . . . . 49 LYS QB . 18193 1 554 . 1 1 49 49 LYS HG2 H 1 1.199 0.01 . 2 . . . . 49 LYS HG2 . 18193 1 555 . 1 1 49 49 LYS HG3 H 1 1.337 0.01 . 2 . . . . 49 LYS HG3 . 18193 1 556 . 1 1 49 49 LYS HD2 H 1 1.472 0.01 . 2 . . . . 49 LYS QD . 18193 1 557 . 1 1 49 49 LYS HD3 H 1 1.472 0.01 . 2 . . . . 49 LYS QD . 18193 1 558 . 1 1 49 49 LYS HE2 H 1 2.896 0.01 . 2 . . . . 49 LYS QE . 18193 1 559 . 1 1 49 49 LYS HE3 H 1 2.896 0.01 . 2 . . . . 49 LYS QE . 18193 1 560 . 1 1 49 49 LYS C C 13 174.853 0.1 . 1 . . . . 49 LYS C . 18193 1 561 . 1 1 49 49 LYS CA C 13 55.309 0.1 . 1 . . . . 49 LYS CA . 18193 1 562 . 1 1 49 49 LYS CB C 13 36.071 0.1 . 1 . . . . 49 LYS CB . 18193 1 563 . 1 1 49 49 LYS CG C 13 24.286 0.1 . 1 . . . . 49 LYS CG . 18193 1 564 . 1 1 49 49 LYS CD C 13 29.362 0.1 . 1 . . . . 49 LYS CD . 18193 1 565 . 1 1 49 49 LYS CE C 13 41.928 0.1 . 1 . . . . 49 LYS CE . 18193 1 566 . 1 1 49 49 LYS N N 15 121.899 0.1 . 1 . . . . 49 LYS N . 18193 1 567 . 1 1 50 50 ALA H H 1 8.744 0.01 . 1 . . . . 50 ALA H . 18193 1 568 . 1 1 50 50 ALA HA H 1 4.619 0.01 . 1 . . . . 50 ALA HA . 18193 1 569 . 1 1 50 50 ALA HB1 H 1 1.139 0.01 . 1 . . . . 50 ALA QB . 18193 1 570 . 1 1 50 50 ALA HB2 H 1 1.139 0.01 . 1 . . . . 50 ALA QB . 18193 1 571 . 1 1 50 50 ALA HB3 H 1 1.139 0.01 . 1 . . . . 50 ALA QB . 18193 1 572 . 1 1 50 50 ALA C C 13 174.648 0.1 . 1 . . . . 50 ALA C . 18193 1 573 . 1 1 50 50 ALA CA C 13 50.388 0.1 . 1 . . . . 50 ALA CA . 18193 1 574 . 1 1 50 50 ALA CB C 13 23.216 0.1 . 1 . . . . 50 ALA CB . 18193 1 575 . 1 1 50 50 ALA N N 15 122.646 0.1 . 1 . . . . 50 ALA N . 18193 1 576 . 1 1 51 51 TYR H H 1 8.492 0.01 . 1 . . . . 51 TYR H . 18193 1 577 . 1 1 51 51 TYR HA H 1 5.651 0.01 . 1 . . . . 51 TYR HA . 18193 1 578 . 1 1 51 51 TYR HB2 H 1 2.467 0.01 . 2 . . . . 51 TYR QB . 18193 1 579 . 1 1 51 51 TYR HB3 H 1 2.467 0.01 . 2 . . . . 51 TYR QB . 18193 1 580 . 1 1 51 51 TYR HD1 H 1 6.815 0.01 . 3 . . . . 51 TYR QD . 18193 1 581 . 1 1 51 51 TYR HD2 H 1 6.815 0.01 . 3 . . . . 51 TYR QD . 18193 1 582 . 1 1 51 51 TYR HE1 H 1 6.601 0.01 . 3 . . . . 51 TYR QE . 18193 1 583 . 1 1 51 51 TYR HE2 H 1 6.601 0.01 . 3 . . . . 51 TYR QE . 18193 1 584 . 1 1 51 51 TYR C C 13 176.265 0.1 . 1 . . . . 51 TYR C . 18193 1 585 . 1 1 51 51 TYR CA C 13 56.600 0.1 . 1 . . . . 51 TYR CA . 18193 1 586 . 1 1 51 51 TYR CB C 13 40.068 0.1 . 1 . . . . 51 TYR CB . 18193 1 587 . 1 1 51 51 TYR CD1 C 13 132.681 0.1 . 3 . . . . 51 TYR CD1 . 18193 1 588 . 1 1 51 51 TYR CE1 C 13 117.335 0.1 . 3 . . . . 51 TYR CE1 . 18193 1 589 . 1 1 51 51 TYR N N 15 117.781 0.1 . 1 . . . . 51 TYR N . 18193 1 590 . 1 1 52 52 VAL H H 1 9.209 0.01 . 1 . . . . 52 VAL H . 18193 1 591 . 1 1 52 52 VAL HA H 1 4.917 0.01 . 1 . . . . 52 VAL HA . 18193 1 592 . 1 1 52 52 VAL HB H 1 2.114 0.01 . 1 . . . . 52 VAL HB . 18193 1 593 . 1 1 52 52 VAL HG11 H 1 1.031 0.01 . 2 . . . . 52 VAL QG1 . 18193 1 594 . 1 1 52 52 VAL HG12 H 1 1.031 0.01 . 2 . . . . 52 VAL QG1 . 18193 1 595 . 1 1 52 52 VAL HG13 H 1 1.031 0.01 . 2 . . . . 52 VAL QG1 . 18193 1 596 . 1 1 52 52 VAL HG21 H 1 1.175 0.01 . 2 . . . . 52 VAL QG2 . 18193 1 597 . 1 1 52 52 VAL HG22 H 1 1.175 0.01 . 2 . . . . 52 VAL QG2 . 18193 1 598 . 1 1 52 52 VAL HG23 H 1 1.175 0.01 . 2 . . . . 52 VAL QG2 . 18193 1 599 . 1 1 52 52 VAL CA C 13 58.654 0.1 . 1 . . . . 52 VAL CA . 18193 1 600 . 1 1 52 52 VAL CB C 13 36.466 0.1 . 1 . . . . 52 VAL CB . 18193 1 601 . 1 1 52 52 VAL CG1 C 13 21.411 0.1 . 2 . . . . 52 VAL CG1 . 18193 1 602 . 1 1 52 52 VAL CG2 C 13 20.991 0.1 . 2 . . . . 52 VAL CG2 . 18193 1 603 . 1 1 52 52 VAL N N 15 124.801 0.1 . 1 . . . . 52 VAL N . 18193 1 604 . 1 1 53 53 PRO HA H 1 3.897 0.01 . 1 . . . . 53 PRO HA . 18193 1 605 . 1 1 53 53 PRO HB2 H 1 1.824 0.01 . 2 . . . . 53 PRO HB2 . 18193 1 606 . 1 1 53 53 PRO HB3 H 1 2.007 0.01 . 2 . . . . 53 PRO HB3 . 18193 1 607 . 1 1 53 53 PRO HG2 H 1 2.079 0.01 . 2 . . . . 53 PRO HG2 . 18193 1 608 . 1 1 53 53 PRO HG3 H 1 2.177 0.01 . 2 . . . . 53 PRO HG3 . 18193 1 609 . 1 1 53 53 PRO HD2 H 1 3.817 0.01 . 2 . . . . 53 PRO HD2 . 18193 1 610 . 1 1 53 53 PRO HD3 H 1 4.073 0.01 . 2 . . . . 53 PRO HD3 . 18193 1 611 . 1 1 53 53 PRO C C 13 176.775 0.1 . 1 . . . . 53 PRO C . 18193 1 612 . 1 1 53 53 PRO CA C 13 63.694 0.1 . 1 . . . . 53 PRO CA . 18193 1 613 . 1 1 53 53 PRO CB C 13 31.823 0.1 . 1 . . . . 53 PRO CB . 18193 1 614 . 1 1 53 53 PRO CG C 13 27.760 0.1 . 1 . . . . 53 PRO CG . 18193 1 615 . 1 1 53 53 PRO CD C 13 51.277 0.1 . 1 . . . . 53 PRO CD . 18193 1 616 . 1 1 54 54 VAL H H 1 7.670 0.01 . 1 . . . . 54 VAL H . 18193 1 617 . 1 1 54 54 VAL HA H 1 3.650 0.01 . 1 . . . . 54 VAL HA . 18193 1 618 . 1 1 54 54 VAL HB H 1 1.620 0.01 . 1 . . . . 54 VAL HB . 18193 1 619 . 1 1 54 54 VAL HG11 H 1 0.168 0.01 . 2 . . . . 54 VAL QG1 . 18193 1 620 . 1 1 54 54 VAL HG12 H 1 0.168 0.01 . 2 . . . . 54 VAL QG1 . 18193 1 621 . 1 1 54 54 VAL HG13 H 1 0.168 0.01 . 2 . . . . 54 VAL QG1 . 18193 1 622 . 1 1 54 54 VAL HG21 H 1 0.524 0.01 . 2 . . . . 54 VAL QG2 . 18193 1 623 . 1 1 54 54 VAL HG22 H 1 0.524 0.01 . 2 . . . . 54 VAL QG2 . 18193 1 624 . 1 1 54 54 VAL HG23 H 1 0.524 0.01 . 2 . . . . 54 VAL QG2 . 18193 1 625 . 1 1 54 54 VAL C C 13 177.894 0.1 . 1 . . . . 54 VAL C . 18193 1 626 . 1 1 54 54 VAL CA C 13 64.354 0.1 . 1 . . . . 54 VAL CA . 18193 1 627 . 1 1 54 54 VAL CB C 13 31.585 0.1 . 1 . . . . 54 VAL CB . 18193 1 628 . 1 1 54 54 VAL CG1 C 13 21.385 0.1 . 2 . . . . 54 VAL CG1 . 18193 1 629 . 1 1 54 54 VAL CG2 C 13 20.562 0.1 . 2 . . . . 54 VAL CG2 . 18193 1 630 . 1 1 54 54 VAL N N 15 122.378 0.1 . 1 . . . . 54 VAL N . 18193 1 631 . 1 1 55 55 GLU H H 1 8.699 0.01 . 1 . . . . 55 GLU H . 18193 1 632 . 1 1 55 55 GLU HA H 1 4.260 0.01 . 1 . . . . 55 GLU HA . 18193 1 633 . 1 1 55 55 GLU HB2 H 1 2.007 0.01 . 2 . . . . 55 GLU QB . 18193 1 634 . 1 1 55 55 GLU HB3 H 1 2.007 0.01 . 2 . . . . 55 GLU QB . 18193 1 635 . 1 1 55 55 GLU HG2 H 1 2.240 0.01 . 2 . . . . 55 GLU QG . 18193 1 636 . 1 1 55 55 GLU HG3 H 1 2.240 0.01 . 2 . . . . 55 GLU QG . 18193 1 637 . 1 1 55 55 GLU C C 13 176.207 0.1 . 1 . . . . 55 GLU C . 18193 1 638 . 1 1 55 55 GLU CA C 13 57.020 0.1 . 1 . . . . 55 GLU CA . 18193 1 639 . 1 1 55 55 GLU CB C 13 29.512 0.1 . 1 . . . . 55 GLU CB . 18193 1 640 . 1 1 55 55 GLU N N 15 116.732 0.1 . 1 . . . . 55 GLU N . 18193 1 641 . 1 1 56 56 ALA H H 1 7.494 0.01 . 1 . . . . 56 ALA H . 18193 1 642 . 1 1 56 56 ALA HA H 1 4.900 0.01 . 1 . . . . 56 ALA HA . 18193 1 643 . 1 1 56 56 ALA HB1 H 1 1.300 0.01 . 1 . . . . 56 ALA QB . 18193 1 644 . 1 1 56 56 ALA HB2 H 1 1.300 0.01 . 1 . . . . 56 ALA QB . 18193 1 645 . 1 1 56 56 ALA HB3 H 1 1.300 0.01 . 1 . . . . 56 ALA QB . 18193 1 646 . 1 1 56 56 ALA CA C 13 51.119 0.1 . 1 . . . . 56 ALA CA . 18193 1 647 . 1 1 56 56 ALA CB C 13 18.793 0.1 . 1 . . . . 56 ALA CB . 18193 1 648 . 1 1 56 56 ALA N N 15 120.374 0.1 . 1 . . . . 56 ALA N . 18193 1 649 . 1 1 57 57 PRO HA H 1 4.348 0.01 . 1 . . . . 57 PRO HA . 18193 1 650 . 1 1 57 57 PRO HB2 H 1 2.009 0.01 . 2 . . . . 57 PRO HB2 . 18193 1 651 . 1 1 57 57 PRO HB3 H 1 2.241 0.01 . 2 . . . . 57 PRO HB3 . 18193 1 652 . 1 1 57 57 PRO HG2 H 1 2.193 0.01 . 2 . . . . 57 PRO HG2 . 18193 1 653 . 1 1 57 57 PRO HG3 H 1 2.465 0.01 . 2 . . . . 57 PRO HG3 . 18193 1 654 . 1 1 57 57 PRO HD2 H 1 3.845 0.01 . 2 . . . . 57 PRO HD2 . 18193 1 655 . 1 1 57 57 PRO HD3 H 1 3.981 0.01 . 2 . . . . 57 PRO HD3 . 18193 1 656 . 1 1 57 57 PRO CA C 13 65.447 0.1 . 1 . . . . 57 PRO CA . 18193 1 657 . 1 1 57 57 PRO CB C 13 31.801 0.1 . 1 . . . . 57 PRO CB . 18193 1 658 . 1 1 57 57 PRO CG C 13 27.811 0.1 . 1 . . . . 57 PRO CG . 18193 1 659 . 1 1 57 57 PRO CD C 13 50.397 0.1 . 1 . . . . 57 PRO CD . 18193 1 660 . 1 1 58 58 HIS H H 1 8.260 0.01 . 1 . . . . 58 HIS H . 18193 1 661 . 1 1 58 58 HIS HA H 1 4.650 0.01 . 1 . . . . 58 HIS HA . 18193 1 662 . 1 1 58 58 HIS HB2 H 1 3.271 0.01 . 2 . . . . 58 HIS QB . 18193 1 663 . 1 1 58 58 HIS HB3 H 1 3.271 0.01 . 2 . . . . 58 HIS QB . 18193 1 664 . 1 1 58 58 HIS HD2 H 1 7.167 0.01 . 1 . . . . 58 HIS HD2 . 18193 1 665 . 1 1 58 58 HIS HE1 H 1 7.968 0.01 . 1 . . . . 58 HIS HE1 . 18193 1 666 . 1 1 58 58 HIS CA C 13 57.658 0.1 . 1 . . . . 58 HIS CA . 18193 1 667 . 1 1 58 58 HIS CB C 13 29.388 0.1 . 1 . . . . 58 HIS CB . 18193 1 668 . 1 1 58 58 HIS N N 15 115.708 0.1 . 1 . . . . 58 HIS N . 18193 1 669 . 1 1 59 59 SER HA H 1 4.258 0.01 . 1 . . . . 59 SER HA . 18193 1 670 . 1 1 59 59 SER HB2 H 1 3.977 0.01 . 2 . . . . 59 SER QB . 18193 1 671 . 1 1 59 59 SER HB3 H 1 3.977 0.01 . 2 . . . . 59 SER QB . 18193 1 672 . 1 1 59 59 SER CA C 13 60.947 0.1 . 1 . . . . 59 SER CA . 18193 1 673 . 1 1 59 59 SER CB C 13 63.161 0.1 . 1 . . . . 59 SER CB . 18193 1 674 . 1 1 60 60 VAL H H 1 7.033 0.01 . 1 . . . . 60 VAL H . 18193 1 675 . 1 1 60 60 VAL HA H 1 4.616 0.01 . 1 . . . . 60 VAL HA . 18193 1 676 . 1 1 60 60 VAL HB H 1 2.582 0.01 . 1 . . . . 60 VAL HB . 18193 1 677 . 1 1 60 60 VAL HG11 H 1 1.073 0.01 . 2 . . . . 60 VAL QG1 . 18193 1 678 . 1 1 60 60 VAL HG12 H 1 1.073 0.01 . 2 . . . . 60 VAL QG1 . 18193 1 679 . 1 1 60 60 VAL HG13 H 1 1.073 0.01 . 2 . . . . 60 VAL QG1 . 18193 1 680 . 1 1 60 60 VAL HG21 H 1 1.088 0.01 . 2 . . . . 60 VAL QG2 . 18193 1 681 . 1 1 60 60 VAL HG22 H 1 1.088 0.01 . 2 . . . . 60 VAL QG2 . 18193 1 682 . 1 1 60 60 VAL HG23 H 1 1.088 0.01 . 2 . . . . 60 VAL QG2 . 18193 1 683 . 1 1 60 60 VAL CA C 13 60.788 0.1 . 1 . . . . 60 VAL CA . 18193 1 684 . 1 1 60 60 VAL CB C 13 31.899 0.1 . 1 . . . . 60 VAL CB . 18193 1 685 . 1 1 60 60 VAL CG1 C 13 21.285 0.1 . 2 . . . . 60 VAL CG1 . 18193 1 686 . 1 1 60 60 VAL CG2 C 13 20.994 0.1 . 2 . . . . 60 VAL CG2 . 18193 1 687 . 1 1 60 60 VAL N N 15 112.607 0.1 . 1 . . . . 60 VAL N . 18193 1 688 . 1 1 61 61 GLY H H 1 7.584 0.01 . 1 . . . . 61 GLY H . 18193 1 689 . 1 1 61 61 GLY HA2 H 1 3.785 0.01 . 2 . . . . 61 GLY HA2 . 18193 1 690 . 1 1 61 61 GLY HA3 H 1 4.142 0.01 . 2 . . . . 61 GLY HA3 . 18193 1 691 . 1 1 61 61 GLY C C 13 173.974 0.1 . 1 . . . . 61 GLY C . 18193 1 692 . 1 1 61 61 GLY CA C 13 45.575 0.1 . 1 . . . . 61 GLY CA . 18193 1 693 . 1 1 61 61 GLY N N 15 107.552 0.1 . 1 . . . . 61 GLY N . 18193 1 694 . 1 1 62 62 LEU H H 1 7.310 0.01 . 1 . . . . 62 LEU H . 18193 1 695 . 1 1 62 62 LEU HA H 1 4.633 0.01 . 1 . . . . 62 LEU HA . 18193 1 696 . 1 1 62 62 LEU HB2 H 1 1.163 0.01 . 2 . . . . 62 LEU HB2 . 18193 1 697 . 1 1 62 62 LEU HB3 H 1 1.604 0.01 . 2 . . . . 62 LEU HB3 . 18193 1 698 . 1 1 62 62 LEU HG H 1 1.031 0.01 . 1 . . . . 62 LEU HG . 18193 1 699 . 1 1 62 62 LEU HD11 H 1 0.047 0.01 . 2 . . . . 62 LEU QD1 . 18193 1 700 . 1 1 62 62 LEU HD12 H 1 0.047 0.01 . 2 . . . . 62 LEU QD1 . 18193 1 701 . 1 1 62 62 LEU HD13 H 1 0.047 0.01 . 2 . . . . 62 LEU QD1 . 18193 1 702 . 1 1 62 62 LEU HD21 H 1 0.685 0.01 . 2 . . . . 62 LEU QD2 . 18193 1 703 . 1 1 62 62 LEU HD22 H 1 0.685 0.01 . 2 . . . . 62 LEU QD2 . 18193 1 704 . 1 1 62 62 LEU HD23 H 1 0.685 0.01 . 2 . . . . 62 LEU QD2 . 18193 1 705 . 1 1 62 62 LEU C C 13 175.934 0.1 . 1 . . . . 62 LEU C . 18193 1 706 . 1 1 62 62 LEU CA C 13 55.786 0.1 . 1 . . . . 62 LEU CA . 18193 1 707 . 1 1 62 62 LEU CB C 13 42.545 0.1 . 1 . . . . 62 LEU CB . 18193 1 708 . 1 1 62 62 LEU CG C 13 26.966 0.1 . 1 . . . . 62 LEU CG . 18193 1 709 . 1 1 62 62 LEU CD1 C 13 25.142 0.1 . 2 . . . . 62 LEU CD1 . 18193 1 710 . 1 1 62 62 LEU CD2 C 13 24.902 0.1 . 2 . . . . 62 LEU CD2 . 18193 1 711 . 1 1 62 62 LEU N N 15 120.317 0.1 . 1 . . . . 62 LEU N . 18193 1 712 . 1 1 63 63 ARG H H 1 8.405 0.01 . 1 . . . . 63 ARG H . 18193 1 713 . 1 1 63 63 ARG HA H 1 5.039 0.01 . 1 . . . . 63 ARG HA . 18193 1 714 . 1 1 63 63 ARG HB2 H 1 1.810 0.01 . 2 . . . . 63 ARG HB2 . 18193 1 715 . 1 1 63 63 ARG HB3 H 1 1.932 0.01 . 2 . . . . 63 ARG HB3 . 18193 1 716 . 1 1 63 63 ARG HG2 H 1 1.523 0.01 . 2 . . . . 63 ARG HG2 . 18193 1 717 . 1 1 63 63 ARG HG3 H 1 1.706 0.01 . 2 . . . . 63 ARG HG3 . 18193 1 718 . 1 1 63 63 ARG HD2 H 1 3.176 0.01 . 2 . . . . 63 ARG HD2 . 18193 1 719 . 1 1 63 63 ARG HD3 H 1 3.206 0.01 . 2 . . . . 63 ARG HD3 . 18193 1 720 . 1 1 63 63 ARG C C 13 175.280 0.1 . 1 . . . . 63 ARG C . 18193 1 721 . 1 1 63 63 ARG CA C 13 54.116 0.1 . 1 . . . . 63 ARG CA . 18193 1 722 . 1 1 63 63 ARG CB C 13 33.407 0.1 . 1 . . . . 63 ARG CB . 18193 1 723 . 1 1 63 63 ARG CG C 13 26.595 0.1 . 1 . . . . 63 ARG CG . 18193 1 724 . 1 1 63 63 ARG CD C 13 43.524 0.1 . 1 . . . . 63 ARG CD . 18193 1 725 . 1 1 63 63 ARG N N 15 123.196 0.1 . 1 . . . . 63 ARG N . 18193 1 726 . 1 1 64 64 LYS H H 1 9.001 0.01 . 1 . . . . 64 LYS H . 18193 1 727 . 1 1 64 64 LYS HA H 1 4.388 0.01 . 1 . . . . 64 LYS HA . 18193 1 728 . 1 1 64 64 LYS HB2 H 1 1.854 0.01 . 2 . . . . 64 LYS HB2 . 18193 1 729 . 1 1 64 64 LYS HB3 H 1 1.957 0.01 . 2 . . . . 64 LYS HB3 . 18193 1 730 . 1 1 64 64 LYS HG2 H 1 1.539 0.01 . 2 . . . . 64 LYS HG2 . 18193 1 731 . 1 1 64 64 LYS HG3 H 1 1.651 0.01 . 2 . . . . 64 LYS HG3 . 18193 1 732 . 1 1 64 64 LYS HD2 H 1 1.739 0.01 . 2 . . . . 64 LYS QD . 18193 1 733 . 1 1 64 64 LYS HD3 H 1 1.739 0.01 . 2 . . . . 64 LYS QD . 18193 1 734 . 1 1 64 64 LYS HE2 H 1 2.846 0.01 . 2 . . . . 64 LYS HE2 . 18193 1 735 . 1 1 64 64 LYS HE3 H 1 2.975 0.01 . 2 . . . . 64 LYS HE3 . 18193 1 736 . 1 1 64 64 LYS C C 13 176.455 0.1 . 1 . . . . 64 LYS C . 18193 1 737 . 1 1 64 64 LYS CA C 13 57.456 0.1 . 1 . . . . 64 LYS CA . 18193 1 738 . 1 1 64 64 LYS CB C 13 32.869 0.1 . 1 . . . . 64 LYS CB . 18193 1 739 . 1 1 64 64 LYS CG C 13 25.955 0.1 . 1 . . . . 64 LYS CG . 18193 1 740 . 1 1 64 64 LYS CD C 13 28.877 0.1 . 1 . . . . 64 LYS CD . 18193 1 741 . 1 1 64 64 LYS CE C 13 41.948 0.1 . 1 . . . . 64 LYS CE . 18193 1 742 . 1 1 64 64 LYS N N 15 121.577 0.1 . 1 . . . . 64 LYS N . 18193 1 743 . 1 1 65 65 ALA H H 1 8.219 0.01 . 1 . . . . 65 ALA H . 18193 1 744 . 1 1 65 65 ALA HA H 1 4.270 0.01 . 1 . . . . 65 ALA HA . 18193 1 745 . 1 1 65 65 ALA HB1 H 1 1.191 0.01 . 1 . . . . 65 ALA QB . 18193 1 746 . 1 1 65 65 ALA HB2 H 1 1.191 0.01 . 1 . . . . 65 ALA QB . 18193 1 747 . 1 1 65 65 ALA HB3 H 1 1.191 0.01 . 1 . . . . 65 ALA QB . 18193 1 748 . 1 1 65 65 ALA C C 13 177.020 0.1 . 1 . . . . 65 ALA C . 18193 1 749 . 1 1 65 65 ALA CA C 13 52.085 0.1 . 1 . . . . 65 ALA CA . 18193 1 750 . 1 1 65 65 ALA CB C 13 18.917 0.1 . 1 . . . . 65 ALA CB . 18193 1 751 . 1 1 65 65 ALA N N 15 126.650 0.1 . 1 . . . . 65 ALA N . 18193 1 752 . 1 1 66 66 LEU H H 1 8.595 0.01 . 1 . . . . 66 LEU H . 18193 1 753 . 1 1 66 66 LEU HA H 1 4.406 0.01 . 1 . . . . 66 LEU HA . 18193 1 754 . 1 1 66 66 LEU HB2 H 1 1.627 0.01 . 2 . . . . 66 LEU QB . 18193 1 755 . 1 1 66 66 LEU HB3 H 1 1.627 0.01 . 2 . . . . 66 LEU QB . 18193 1 756 . 1 1 66 66 LEU HD11 H 1 0.879 0.01 . 2 . . . . 66 LEU QD1 . 18193 1 757 . 1 1 66 66 LEU HD12 H 1 0.879 0.01 . 2 . . . . 66 LEU QD1 . 18193 1 758 . 1 1 66 66 LEU HD13 H 1 0.879 0.01 . 2 . . . . 66 LEU QD1 . 18193 1 759 . 1 1 66 66 LEU HD21 H 1 0.930 0.01 . 2 . . . . 66 LEU QD2 . 18193 1 760 . 1 1 66 66 LEU HD22 H 1 0.930 0.01 . 2 . . . . 66 LEU QD2 . 18193 1 761 . 1 1 66 66 LEU HD23 H 1 0.930 0.01 . 2 . . . . 66 LEU QD2 . 18193 1 762 . 1 1 66 66 LEU C C 13 176.838 0.1 . 1 . . . . 66 LEU C . 18193 1 763 . 1 1 66 66 LEU CA C 13 54.512 0.1 . 1 . . . . 66 LEU CA . 18193 1 764 . 1 1 66 66 LEU CB C 13 42.713 0.1 . 1 . . . . 66 LEU CB . 18193 1 765 . 1 1 66 66 LEU CD1 C 13 23.381 0.1 . 2 . . . . 66 LEU CD1 . 18193 1 766 . 1 1 66 66 LEU CD2 C 13 24.866 0.1 . 2 . . . . 66 LEU CD2 . 18193 1 767 . 1 1 66 66 LEU N N 15 122.767 0.1 . 1 . . . . 66 LEU N . 18193 1 768 . 1 1 67 67 ALA H H 1 8.348 0.01 . 1 . . . . 67 ALA H . 18193 1 769 . 1 1 67 67 ALA HA H 1 4.554 0.01 . 1 . . . . 67 ALA HA . 18193 1 770 . 1 1 67 67 ALA HB1 H 1 1.404 0.01 . 1 . . . . 67 ALA QB . 18193 1 771 . 1 1 67 67 ALA HB2 H 1 1.404 0.01 . 1 . . . . 67 ALA QB . 18193 1 772 . 1 1 67 67 ALA HB3 H 1 1.404 0.01 . 1 . . . . 67 ALA QB . 18193 1 773 . 1 1 67 67 ALA CA C 13 51.765 0.1 . 1 . . . . 67 ALA CA . 18193 1 774 . 1 1 67 67 ALA CB C 13 17.927 0.1 . 1 . . . . 67 ALA CB . 18193 1 775 . 1 1 67 67 ALA N N 15 125.641 0.1 . 1 . . . . 67 ALA N . 18193 1 776 . 1 1 68 68 PRO HA H 1 4.448 0.01 . 1 . . . . 68 PRO HA . 18193 1 777 . 1 1 68 68 PRO HB2 H 1 1.927 0.01 . 2 . . . . 68 PRO HB2 . 18193 1 778 . 1 1 68 68 PRO HB3 H 1 2.317 0.01 . 2 . . . . 68 PRO HB3 . 18193 1 779 . 1 1 68 68 PRO HG2 H 1 2.019 0.01 . 2 . . . . 68 PRO QG . 18193 1 780 . 1 1 68 68 PRO HG3 H 1 2.019 0.01 . 2 . . . . 68 PRO QG . 18193 1 781 . 1 1 68 68 PRO HD2 H 1 3.640 0.01 . 2 . . . . 68 PRO HD2 . 18193 1 782 . 1 1 68 68 PRO HD3 H 1 3.772 0.01 . 2 . . . . 68 PRO HD3 . 18193 1 783 . 1 1 68 68 PRO C C 13 177.008 0.1 . 1 . . . . 68 PRO C . 18193 1 784 . 1 1 68 68 PRO CA C 13 63.483 0.1 . 1 . . . . 68 PRO CA . 18193 1 785 . 1 1 68 68 PRO CB C 13 31.929 0.1 . 1 . . . . 68 PRO CB . 18193 1 786 . 1 1 68 68 PRO CG C 13 27.455 0.1 . 1 . . . . 68 PRO CG . 18193 1 787 . 1 1 68 68 PRO CD C 13 50.537 0.1 . 1 . . . . 68 PRO CD . 18193 1 788 . 1 1 69 69 GLU H H 1 8.354 0.01 . 1 . . . . 69 GLU H . 18193 1 789 . 1 1 69 69 GLU HA H 1 4.261 0.01 . 1 . . . . 69 GLU HA . 18193 1 790 . 1 1 69 69 GLU HB2 H 1 2.039 0.01 . 2 . . . . 69 GLU QB . 18193 1 791 . 1 1 69 69 GLU HB3 H 1 2.039 0.01 . 2 . . . . 69 GLU QB . 18193 1 792 . 1 1 69 69 GLU C C 13 175.561 0.1 . 1 . . . . 69 GLU C . 18193 1 793 . 1 1 69 69 GLU CA C 13 56.676 0.1 . 1 . . . . 69 GLU CA . 18193 1 794 . 1 1 69 69 GLU CB C 13 30.245 0.1 . 1 . . . . 69 GLU CB . 18193 1 795 . 1 1 69 69 GLU N N 15 119.998 0.1 . 1 . . . . 69 GLU N . 18193 1 796 . 1 1 70 70 GLU H H 1 7.804 0.01 . 1 . . . . 70 GLU H . 18193 1 797 . 1 1 70 70 GLU HA H 1 4.088 0.01 . 1 . . . . 70 GLU HA . 18193 1 798 . 1 1 70 70 GLU HB2 H 1 1.906 0.01 . 2 . . . . 70 GLU HB2 . 18193 1 799 . 1 1 70 70 GLU HB3 H 1 2.043 0.01 . 2 . . . . 70 GLU HB3 . 18193 1 800 . 1 1 70 70 GLU HG2 H 1 2.161 0.01 . 2 . . . . 70 GLU HG2 . 18193 1 801 . 1 1 70 70 GLU HG3 H 1 2.214 0.01 . 2 . . . . 70 GLU HG3 . 18193 1 802 . 1 1 70 70 GLU CA C 13 58.054 0.1 . 1 . . . . 70 GLU CA . 18193 1 803 . 1 1 70 70 GLU CB C 13 31.400 0.1 . 1 . . . . 70 GLU CB . 18193 1 804 . 1 1 70 70 GLU CG C 13 36.665 0.1 . 1 . . . . 70 GLU CG . 18193 1 805 . 1 1 70 70 GLU N N 15 126.380 0.1 . 1 . . . . 70 GLU N . 18193 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 18193 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 'Amide 1H and 15N chemical shifts 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 18 '2D 1H-15N HSQC' . . . 18193 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 4 4 MET H H 1 8.458 0.01 . 1 . . . . 4 MET H . 18193 2 2 . 1 1 4 4 MET N N 15 122.199 0.1 . 1 . . . . 4 MET N . 18193 2 3 . 1 1 5 5 LYS H H 1 8.477 0.01 . 1 . . . . 5 LYS H . 18193 2 4 . 1 1 5 5 LYS N N 15 123.024 0.1 . 1 . . . . 5 LYS N . 18193 2 5 . 1 1 6 6 GLU H H 1 8.229 0.01 . 1 . . . . 6 GLU H . 18193 2 6 . 1 1 6 6 GLU N N 15 121.541 0.1 . 1 . . . . 6 GLU N . 18193 2 7 . 1 1 7 7 PHE H H 1 7.608 0.01 . 1 . . . . 7 PHE H . 18193 2 8 . 1 1 7 7 PHE N N 15 117.672 0.1 . 1 . . . . 7 PHE N . 18193 2 9 . 1 1 8 8 ARG H H 1 9.064 0.01 . 1 . . . . 8 ARG H . 18193 2 10 . 1 1 8 8 ARG N N 15 121.237 0.1 . 1 . . . . 8 ARG N . 18193 2 11 . 1 1 10 10 GLY H H 1 9.491 0.01 . 1 . . . . 10 GLY H . 18193 2 12 . 1 1 10 10 GLY N N 15 114.654 0.1 . 1 . . . . 10 GLY N . 18193 2 13 . 1 1 11 11 ASP H H 1 8.294 0.01 . 1 . . . . 11 ASP H . 18193 2 14 . 1 1 11 11 ASP N N 15 122.330 0.1 . 1 . . . . 11 ASP N . 18193 2 15 . 1 1 12 12 LYS H H 1 8.643 0.01 . 1 . . . . 12 LYS H . 18193 2 16 . 1 1 12 12 LYS N N 15 122.894 0.1 . 1 . . . . 12 LYS N . 18193 2 17 . 1 1 13 13 VAL H H 1 8.605 0.01 . 1 . . . . 13 VAL H . 18193 2 18 . 1 1 13 13 VAL N N 15 118.235 0.1 . 1 . . . . 13 VAL N . 18193 2 19 . 1 1 14 14 VAL H H 1 8.995 0.01 . 1 . . . . 14 VAL H . 18193 2 20 . 1 1 14 14 VAL N N 15 119.706 0.1 . 1 . . . . 14 VAL N . 18193 2 21 . 1 1 15 15 LEU H H 1 8.301 0.01 . 1 . . . . 15 LEU H . 18193 2 22 . 1 1 15 15 LEU N N 15 125.113 0.1 . 1 . . . . 15 LEU N . 18193 2 23 . 1 1 18 18 TYR H H 1 8.219 0.01 . 1 . . . . 18 TYR H . 18193 2 24 . 1 1 18 18 TYR N N 15 125.988 0.1 . 1 . . . . 18 TYR N . 18193 2 25 . 1 1 19 19 GLY H H 1 7.526 0.01 . 1 . . . . 19 GLY H . 18193 2 26 . 1 1 19 19 GLY N N 15 106.640 0.1 . 1 . . . . 19 GLY N . 18193 2 27 . 1 1 20 20 VAL H H 1 8.373 0.01 . 1 . . . . 20 VAL H . 18193 2 28 . 1 1 20 20 VAL N N 15 123.064 0.1 . 1 . . . . 20 VAL N . 18193 2 29 . 1 1 21 21 GLY H H 1 9.245 0.01 . 1 . . . . 21 GLY H . 18193 2 30 . 1 1 21 21 GLY N N 15 116.229 0.1 . 1 . . . . 21 GLY N . 18193 2 31 . 1 1 22 22 VAL H H 1 8.569 0.01 . 1 . . . . 22 VAL H . 18193 2 32 . 1 1 22 22 VAL N N 15 118.893 0.1 . 1 . . . . 22 VAL N . 18193 2 33 . 1 1 23 23 VAL H H 1 8.653 0.01 . 1 . . . . 23 VAL H . 18193 2 34 . 1 1 23 23 VAL N N 15 126.553 0.1 . 1 . . . . 23 VAL N . 18193 2 35 . 1 1 24 24 ALA H H 1 9.491 0.01 . 1 . . . . 24 ALA H . 18193 2 36 . 1 1 24 24 ALA N N 15 134.513 0.1 . 1 . . . . 24 ALA N . 18193 2 37 . 1 1 25 25 GLY H H 1 7.377 0.01 . 1 . . . . 25 GLY H . 18193 2 38 . 1 1 25 25 GLY N N 15 102.708 0.1 . 1 . . . . 25 GLY N . 18193 2 39 . 1 1 26 26 ILE H H 1 8.568 0.01 . 1 . . . . 26 ILE H . 18193 2 40 . 1 1 26 26 ILE N N 15 120.836 0.1 . 1 . . . . 26 ILE N . 18193 2 41 . 1 1 27 27 ALA H H 1 9.572 0.01 . 1 . . . . 27 ALA H . 18193 2 42 . 1 1 27 27 ALA N N 15 130.921 0.1 . 1 . . . . 27 ALA N . 18193 2 43 . 1 1 28 28 GLN H H 1 8.778 0.01 . 1 . . . . 28 GLN H . 18193 2 44 . 1 1 28 28 GLN HE21 H 1 6.635 0.01 . 2 . . . . 28 GLN HE21 . 18193 2 45 . 1 1 28 28 GLN HE22 H 1 7.392 0.01 . 2 . . . . 28 GLN HE22 . 18193 2 46 . 1 1 28 28 GLN N N 15 121.829 0.1 . 1 . . . . 28 GLN N . 18193 2 47 . 1 1 28 28 GLN NE2 N 15 110.296 0.1 . 1 . . . . 28 GLN NE2 . 18193 2 48 . 1 1 29 29 ARG H H 1 9.074 0.01 . 1 . . . . 29 ARG H . 18193 2 49 . 1 1 29 29 ARG N N 15 123.547 0.1 . 1 . . . . 29 ARG N . 18193 2 50 . 1 1 31 31 VAL H H 1 8.449 0.01 . 1 . . . . 31 VAL H . 18193 2 51 . 1 1 31 31 VAL N N 15 127.009 0.1 . 1 . . . . 31 VAL N . 18193 2 52 . 1 1 33 33 GLY H H 1 8.516 0.01 . 1 . . . . 33 GLY H . 18193 2 53 . 1 1 33 33 GLY N N 15 104.700 0.1 . 1 . . . . 33 GLY N . 18193 2 54 . 1 1 34 34 VAL H H 1 7.667 0.01 . 1 . . . . 34 VAL H . 18193 2 55 . 1 1 34 34 VAL N N 15 120.976 0.1 . 1 . . . . 34 VAL N . 18193 2 56 . 1 1 35 35 SER H H 1 8.826 0.01 . 1 . . . . 35 SER H . 18193 2 57 . 1 1 35 35 SER N N 15 123.074 0.1 . 1 . . . . 35 SER N . 18193 2 58 . 1 1 36 36 ARG H H 1 8.825 0.01 . 1 . . . . 36 ARG H . 18193 2 59 . 1 1 36 36 ARG N N 15 126.165 0.1 . 1 . . . . 36 ARG N . 18193 2 60 . 1 1 37 37 ALA H H 1 8.286 0.01 . 1 . . . . 37 ALA H . 18193 2 61 . 1 1 37 37 ALA N N 15 122.269 0.1 . 1 . . . . 37 ALA N . 18193 2 62 . 1 1 38 38 TYR H H 1 9.233 0.01 . 1 . . . . 38 TYR H . 18193 2 63 . 1 1 38 38 TYR N N 15 120.483 0.1 . 1 . . . . 38 TYR N . 18193 2 64 . 1 1 39 39 TYR H H 1 9.783 0.01 . 1 . . . . 39 TYR H . 18193 2 65 . 1 1 39 39 TYR N N 15 120.388 0.1 . 1 . . . . 39 TYR N . 18193 2 66 . 1 1 40 40 GLN H H 1 8.902 0.01 . 1 . . . . 40 GLN H . 18193 2 67 . 1 1 40 40 GLN HE21 H 1 6.820 0.01 . 2 . . . . 40 GLN HE21 . 18193 2 68 . 1 1 40 40 GLN HE22 H 1 8.659 0.01 . 2 . . . . 40 GLN HE22 . 18193 2 69 . 1 1 40 40 GLN N N 15 124.987 0.1 . 1 . . . . 40 GLN N . 18193 2 70 . 1 1 40 40 GLN NE2 N 15 116.977 0.1 . 1 . . . . 40 GLN NE2 . 18193 2 71 . 1 1 41 41 VAL H H 1 9.126 0.01 . 1 . . . . 41 VAL H . 18193 2 72 . 1 1 41 41 VAL N N 15 129.584 0.1 . 1 . . . . 41 VAL N . 18193 2 73 . 1 1 42 42 ASP H H 1 8.339 0.01 . 1 . . . . 42 ASP H . 18193 2 74 . 1 1 42 42 ASP N N 15 125.431 0.1 . 1 . . . . 42 ASP N . 18193 2 75 . 1 1 43 43 PHE H H 1 8.399 0.01 . 1 . . . . 43 PHE H . 18193 2 76 . 1 1 43 43 PHE N N 15 119.584 0.1 . 1 . . . . 43 PHE N . 18193 2 77 . 1 1 45 45 GLY H H 1 7.999 0.01 . 1 . . . . 45 GLY H . 18193 2 78 . 1 1 45 45 GLY N N 15 116.097 0.1 . 1 . . . . 45 GLY N . 18193 2 79 . 1 1 46 46 SER H H 1 7.924 0.01 . 1 . . . . 46 SER H . 18193 2 80 . 1 1 46 46 SER N N 15 113.499 0.1 . 1 . . . . 46 SER N . 18193 2 81 . 1 1 48 48 SER H H 1 8.081 0.01 . 1 . . . . 48 SER H . 18193 2 82 . 1 1 48 48 SER N N 15 114.739 0.1 . 1 . . . . 48 SER N . 18193 2 83 . 1 1 49 49 LYS H H 1 8.401 0.01 . 1 . . . . 49 LYS H . 18193 2 84 . 1 1 49 49 LYS N N 15 122.092 0.1 . 1 . . . . 49 LYS N . 18193 2 85 . 1 1 50 50 ALA H H 1 8.759 0.01 . 1 . . . . 50 ALA H . 18193 2 86 . 1 1 50 50 ALA N N 15 122.685 0.1 . 1 . . . . 50 ALA N . 18193 2 87 . 1 1 51 51 TYR H H 1 8.553 0.01 . 1 . . . . 51 TYR H . 18193 2 88 . 1 1 51 51 TYR N N 15 117.751 0.1 . 1 . . . . 51 TYR N . 18193 2 89 . 1 1 52 52 VAL H H 1 9.253 0.01 . 1 . . . . 52 VAL H . 18193 2 90 . 1 1 52 52 VAL N N 15 124.976 0.1 . 1 . . . . 52 VAL N . 18193 2 91 . 1 1 54 54 VAL H H 1 7.716 0.01 . 1 . . . . 54 VAL H . 18193 2 92 . 1 1 54 54 VAL N N 15 122.755 0.1 . 1 . . . . 54 VAL N . 18193 2 93 . 1 1 55 55 GLU H H 1 8.708 0.01 . 1 . . . . 55 GLU H . 18193 2 94 . 1 1 55 55 GLU N N 15 116.716 0.1 . 1 . . . . 55 GLU N . 18193 2 95 . 1 1 56 56 ALA H H 1 7.534 0.01 . 1 . . . . 56 ALA H . 18193 2 96 . 1 1 56 56 ALA N N 15 120.561 0.1 . 1 . . . . 56 ALA N . 18193 2 97 . 1 1 58 58 HIS H H 1 8.328 0.01 . 1 . . . . 58 HIS H . 18193 2 98 . 1 1 58 58 HIS N N 15 115.865 0.1 . 1 . . . . 58 HIS N . 18193 2 99 . 1 1 60 60 VAL H H 1 7.037 0.01 . 1 . . . . 60 VAL H . 18193 2 100 . 1 1 60 60 VAL N N 15 112.509 0.1 . 1 . . . . 60 VAL N . 18193 2 101 . 1 1 61 61 GLY H H 1 7.602 0.01 . 1 . . . . 61 GLY H . 18193 2 102 . 1 1 61 61 GLY N N 15 107.645 0.1 . 1 . . . . 61 GLY N . 18193 2 103 . 1 1 62 62 LEU H H 1 7.350 0.01 . 1 . . . . 62 LEU H . 18193 2 104 . 1 1 62 62 LEU N N 15 120.313 0.1 . 1 . . . . 62 LEU N . 18193 2 105 . 1 1 63 63 ARG H H 1 8.447 0.01 . 1 . . . . 63 ARG H . 18193 2 106 . 1 1 63 63 ARG N N 15 123.181 0.1 . 1 . . . . 63 ARG N . 18193 2 107 . 1 1 64 64 LYS H H 1 9.068 0.01 . 1 . . . . 64 LYS H . 18193 2 108 . 1 1 64 64 LYS N N 15 121.527 0.1 . 1 . . . . 64 LYS N . 18193 2 109 . 1 1 65 65 ALA H H 1 8.242 0.01 . 1 . . . . 65 ALA H . 18193 2 110 . 1 1 65 65 ALA N N 15 126.769 0.1 . 1 . . . . 65 ALA N . 18193 2 111 . 1 1 66 66 LEU H H 1 8.722 0.01 . 1 . . . . 66 LEU H . 18193 2 112 . 1 1 66 66 LEU N N 15 123.015 0.1 . 1 . . . . 66 LEU N . 18193 2 113 . 1 1 67 67 ALA H H 1 8.447 0.01 . 1 . . . . 67 ALA H . 18193 2 114 . 1 1 67 67 ALA N N 15 125.838 0.1 . 1 . . . . 67 ALA N . 18193 2 115 . 1 1 69 69 GLU H H 1 8.400 0.01 . 1 . . . . 69 GLU H . 18193 2 116 . 1 1 69 69 GLU N N 15 120.038 0.1 . 1 . . . . 69 GLU N . 18193 2 117 . 1 1 70 70 GLU H H 1 7.861 0.01 . 1 . . . . 70 GLU H . 18193 2 118 . 1 1 70 70 GLU N N 15 126.431 0.1 . 1 . . . . 70 GLU N . 18193 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 18193 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 'Amide 1H and 15N chemical shifts at 35 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 19 '2D 1H-15N HSQC' . . . 18193 3 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 4 4 MET H H 1 8.270 0.01 . 1 . . . . 4 MET H . 18193 3 2 . 1 1 4 4 MET N N 15 121.718 0.1 . 1 . . . . 4 MET N . 18193 3 3 . 1 1 6 6 GLU H H 1 8.093 0.01 . 1 . . . . 6 GLU H . 18193 3 4 . 1 1 6 6 GLU N N 15 121.090 0.1 . 1 . . . . 6 GLU N . 18193 3 5 . 1 1 7 7 PHE H H 1 7.527 0.01 . 1 . . . . 7 PHE H . 18193 3 6 . 1 1 7 7 PHE N N 15 117.810 0.1 . 1 . . . . 7 PHE N . 18193 3 7 . 1 1 8 8 ARG H H 1 9.043 0.01 . 1 . . . . 8 ARG H . 18193 3 8 . 1 1 8 8 ARG N N 15 121.332 0.1 . 1 . . . . 8 ARG N . 18193 3 9 . 1 1 10 10 GLY H H 1 9.415 0.01 . 1 . . . . 10 GLY H . 18193 3 10 . 1 1 10 10 GLY N N 15 114.396 0.1 . 1 . . . . 10 GLY N . 18193 3 11 . 1 1 11 11 ASP H H 1 8.252 0.01 . 1 . . . . 11 ASP H . 18193 3 12 . 1 1 11 11 ASP N N 15 122.167 0.1 . 1 . . . . 11 ASP N . 18193 3 13 . 1 1 12 12 LYS H H 1 8.476 0.01 . 1 . . . . 12 LYS H . 18193 3 14 . 1 1 12 12 LYS N N 15 122.592 0.1 . 1 . . . . 12 LYS N . 18193 3 15 . 1 1 13 13 VAL H H 1 8.596 0.01 . 1 . . . . 13 VAL H . 18193 3 16 . 1 1 13 13 VAL N N 15 118.032 0.1 . 1 . . . . 13 VAL N . 18193 3 17 . 1 1 14 14 VAL H H 1 8.933 0.01 . 1 . . . . 14 VAL H . 18193 3 18 . 1 1 14 14 VAL N N 15 119.718 0.1 . 1 . . . . 14 VAL N . 18193 3 19 . 1 1 15 15 LEU H H 1 8.308 0.01 . 1 . . . . 15 LEU H . 18193 3 20 . 1 1 15 15 LEU N N 15 125.300 0.1 . 1 . . . . 15 LEU N . 18193 3 21 . 1 1 18 18 TYR H H 1 8.108 0.01 . 1 . . . . 18 TYR H . 18193 3 22 . 1 1 18 18 TYR N N 15 125.634 0.1 . 1 . . . . 18 TYR N . 18193 3 23 . 1 1 19 19 GLY H H 1 7.497 0.01 . 1 . . . . 19 GLY H . 18193 3 24 . 1 1 19 19 GLY N N 15 106.200 0.1 . 1 . . . . 19 GLY N . 18193 3 25 . 1 1 20 20 VAL H H 1 8.262 0.01 . 1 . . . . 20 VAL H . 18193 3 26 . 1 1 20 20 VAL N N 15 123.114 0.1 . 1 . . . . 20 VAL N . 18193 3 27 . 1 1 21 21 GLY H H 1 9.188 0.01 . 1 . . . . 21 GLY H . 18193 3 28 . 1 1 21 21 GLY N N 15 116.184 0.1 . 1 . . . . 21 GLY N . 18193 3 29 . 1 1 22 22 VAL H H 1 8.540 0.01 . 1 . . . . 22 VAL H . 18193 3 30 . 1 1 22 22 VAL N N 15 118.526 0.1 . 1 . . . . 22 VAL N . 18193 3 31 . 1 1 23 23 VAL H H 1 8.620 0.01 . 1 . . . . 23 VAL H . 18193 3 32 . 1 1 23 23 VAL N N 15 126.332 0.1 . 1 . . . . 23 VAL N . 18193 3 33 . 1 1 24 24 ALA H H 1 9.413 0.01 . 1 . . . . 24 ALA H . 18193 3 34 . 1 1 24 24 ALA N N 15 134.415 0.1 . 1 . . . . 24 ALA N . 18193 3 35 . 1 1 25 25 GLY H H 1 7.355 0.01 . 1 . . . . 25 GLY H . 18193 3 36 . 1 1 25 25 GLY N N 15 102.445 0.1 . 1 . . . . 25 GLY N . 18193 3 37 . 1 1 26 26 ILE H H 1 8.460 0.01 . 1 . . . . 26 ILE H . 18193 3 38 . 1 1 26 26 ILE N N 15 120.845 0.1 . 1 . . . . 26 ILE N . 18193 3 39 . 1 1 27 27 ALA H H 1 9.557 0.01 . 1 . . . . 27 ALA H . 18193 3 40 . 1 1 27 27 ALA N N 15 130.860 0.1 . 1 . . . . 27 ALA N . 18193 3 41 . 1 1 28 28 GLN H H 1 8.628 0.01 . 1 . . . . 28 GLN H . 18193 3 42 . 1 1 28 28 GLN HE21 H 1 6.566 0.01 . 2 . . . . 28 GLN HE21 . 18193 3 43 . 1 1 28 28 GLN HE22 H 1 7.273 0.01 . 2 . . . . 28 GLN HE22 . 18193 3 44 . 1 1 28 28 GLN N N 15 121.568 0.1 . 1 . . . . 28 GLN N . 18193 3 45 . 1 1 28 28 GLN NE2 N 15 109.927 0.1 . 1 . . . . 28 GLN NE2 . 18193 3 46 . 1 1 29 29 ARG H H 1 8.974 0.01 . 1 . . . . 29 ARG H . 18193 3 47 . 1 1 29 29 ARG N N 15 123.191 0.1 . 1 . . . . 29 ARG N . 18193 3 48 . 1 1 31 31 VAL H H 1 8.430 0.01 . 1 . . . . 31 VAL H . 18193 3 49 . 1 1 31 31 VAL N N 15 126.615 0.1 . 1 . . . . 31 VAL N . 18193 3 50 . 1 1 33 33 GLY H H 1 8.375 0.01 . 1 . . . . 33 GLY H . 18193 3 51 . 1 1 33 33 GLY N N 15 104.774 0.1 . 1 . . . . 33 GLY N . 18193 3 52 . 1 1 34 34 VAL H H 1 7.635 0.01 . 1 . . . . 34 VAL H . 18193 3 53 . 1 1 34 34 VAL N N 15 120.569 0.1 . 1 . . . . 34 VAL N . 18193 3 54 . 1 1 35 35 SER H H 1 8.632 0.01 . 1 . . . . 35 SER H . 18193 3 55 . 1 1 35 35 SER N N 15 122.410 0.1 . 1 . . . . 35 SER N . 18193 3 56 . 1 1 36 36 ARG H H 1 8.762 0.01 . 1 . . . . 36 ARG H . 18193 3 57 . 1 1 36 36 ARG N N 15 125.993 0.1 . 1 . . . . 36 ARG N . 18193 3 58 . 1 1 37 37 ALA H H 1 8.204 0.01 . 1 . . . . 37 ALA H . 18193 3 59 . 1 1 37 37 ALA N N 15 122.526 0.1 . 1 . . . . 37 ALA N . 18193 3 60 . 1 1 38 38 TYR H H 1 9.156 0.01 . 1 . . . . 38 TYR H . 18193 3 61 . 1 1 38 38 TYR N N 15 120.294 0.1 . 1 . . . . 38 TYR N . 18193 3 62 . 1 1 39 39 TYR H H 1 9.729 0.01 . 1 . . . . 39 TYR H . 18193 3 63 . 1 1 39 39 TYR N N 15 120.269 0.1 . 1 . . . . 39 TYR N . 18193 3 64 . 1 1 40 40 GLN H H 1 8.850 0.01 . 1 . . . . 40 GLN H . 18193 3 65 . 1 1 40 40 GLN HE21 H 1 6.728 0.01 . 2 . . . . 40 GLN HE21 . 18193 3 66 . 1 1 40 40 GLN HE22 H 1 8.429 0.01 . 2 . . . . 40 GLN HE22 . 18193 3 67 . 1 1 40 40 GLN N N 15 124.962 0.1 . 1 . . . . 40 GLN N . 18193 3 68 . 1 1 40 40 GLN NE2 N 15 116.042 0.1 . 1 . . . . 40 GLN NE2 . 18193 3 69 . 1 1 41 41 VAL H H 1 9.051 0.01 . 1 . . . . 41 VAL H . 18193 3 70 . 1 1 41 41 VAL N N 15 129.447 0.1 . 1 . . . . 41 VAL N . 18193 3 71 . 1 1 42 42 ASP H H 1 8.345 0.01 . 1 . . . . 42 ASP H . 18193 3 72 . 1 1 42 42 ASP N N 15 125.713 0.1 . 1 . . . . 42 ASP N . 18193 3 73 . 1 1 43 43 PHE H H 1 8.275 0.01 . 1 . . . . 43 PHE H . 18193 3 74 . 1 1 43 43 PHE N N 15 119.450 0.1 . 1 . . . . 43 PHE N . 18193 3 75 . 1 1 45 45 GLY H H 1 7.853 0.01 . 1 . . . . 45 GLY H . 18193 3 76 . 1 1 45 45 GLY N N 15 115.905 0.1 . 1 . . . . 45 GLY N . 18193 3 77 . 1 1 46 46 SER H H 1 7.844 0.01 . 1 . . . . 46 SER H . 18193 3 78 . 1 1 46 46 SER N N 15 113.490 0.1 . 1 . . . . 46 SER N . 18193 3 79 . 1 1 48 48 SER H H 1 7.971 0.01 . 1 . . . . 48 SER H . 18193 3 80 . 1 1 48 48 SER N N 15 114.251 0.1 . 1 . . . . 48 SER N . 18193 3 81 . 1 1 50 50 ALA H H 1 8.728 0.01 . 1 . . . . 50 ALA H . 18193 3 82 . 1 1 50 50 ALA N N 15 122.579 0.1 . 1 . . . . 50 ALA N . 18193 3 83 . 1 1 51 51 TYR H H 1 8.434 0.01 . 1 . . . . 51 TYR H . 18193 3 84 . 1 1 51 51 TYR N N 15 117.836 0.1 . 1 . . . . 51 TYR N . 18193 3 85 . 1 1 52 52 VAL H H 1 9.172 0.01 . 1 . . . . 52 VAL H . 18193 3 86 . 1 1 52 52 VAL N N 15 124.579 0.1 . 1 . . . . 52 VAL N . 18193 3 87 . 1 1 54 54 VAL H H 1 7.631 0.01 . 1 . . . . 54 VAL H . 18193 3 88 . 1 1 54 54 VAL N N 15 122.003 0.1 . 1 . . . . 54 VAL N . 18193 3 89 . 1 1 55 55 GLU H H 1 8.686 0.01 . 1 . . . . 55 GLU H . 18193 3 90 . 1 1 55 55 GLU N N 15 116.832 0.1 . 1 . . . . 55 GLU N . 18193 3 91 . 1 1 56 56 ALA H H 1 7.463 0.01 . 1 . . . . 56 ALA H . 18193 3 92 . 1 1 56 56 ALA N N 15 120.271 0.1 . 1 . . . . 56 ALA N . 18193 3 93 . 1 1 60 60 VAL H H 1 7.027 0.01 . 1 . . . . 60 VAL H . 18193 3 94 . 1 1 60 60 VAL N N 15 112.678 0.1 . 1 . . . . 60 VAL N . 18193 3 95 . 1 1 61 61 GLY H H 1 7.579 0.01 . 1 . . . . 61 GLY H . 18193 3 96 . 1 1 61 61 GLY N N 15 107.521 0.1 . 1 . . . . 61 GLY N . 18193 3 97 . 1 1 62 62 LEU H H 1 7.280 0.01 . 1 . . . . 62 LEU H . 18193 3 98 . 1 1 62 62 LEU N N 15 120.310 0.1 . 1 . . . . 62 LEU N . 18193 3 99 . 1 1 63 63 ARG H H 1 8.368 0.01 . 1 . . . . 63 ARG H . 18193 3 100 . 1 1 63 63 ARG N N 15 123.137 0.1 . 1 . . . . 63 ARG N . 18193 3 101 . 1 1 64 64 LYS H H 1 8.934 0.01 . 1 . . . . 64 LYS H . 18193 3 102 . 1 1 64 64 LYS N N 15 121.576 0.1 . 1 . . . . 64 LYS N . 18193 3 103 . 1 1 65 65 ALA H H 1 8.194 0.01 . 1 . . . . 65 ALA H . 18193 3 104 . 1 1 65 65 ALA N N 15 126.502 0.1 . 1 . . . . 65 ALA N . 18193 3 105 . 1 1 66 66 LEU H H 1 8.476 0.01 . 1 . . . . 66 LEU H . 18193 3 106 . 1 1 66 66 LEU N N 15 122.592 0.1 . 1 . . . . 66 LEU N . 18193 3 107 . 1 1 67 67 ALA H H 1 8.255 0.01 . 1 . . . . 67 ALA H . 18193 3 108 . 1 1 67 67 ALA N N 15 125.428 0.1 . 1 . . . . 67 ALA N . 18193 3 109 . 1 1 69 69 GLU H H 1 8.310 0.01 . 1 . . . . 69 GLU H . 18193 3 110 . 1 1 69 69 GLU N N 15 119.990 0.1 . 1 . . . . 69 GLU N . 18193 3 111 . 1 1 70 70 GLU H H 1 7.755 0.01 . 1 . . . . 70 GLU H . 18193 3 112 . 1 1 70 70 GLU N N 15 126.331 0.1 . 1 . . . . 70 GLU N . 18193 3 stop_ save_