data_17266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17266 _Entry.Title ; Solution structure of the C-terminal domain of SilB from Cupriavidus metallidurans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-25 _Entry.Accession_date 2010-10-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Beate Bersch . . . 17266 2 Kheiro-Mouna Derfoufi . . . 17266 3 Guy Vandenbussche . . . 17266 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17266 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ag(I)-binding site' . 17266 'apo form' . 17266 'Cu(I)-binding site' . 17266 'CusF ortholog' . 17266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17266 heteronucl_NOEs 1 17266 heteronucl_T1_relaxation 1 17266 heteronucl_T2_relaxation 1 17266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 17266 '15N chemical shifts' 89 17266 '1H chemical shifts' 545 17266 'heteronuclear NOE values' 68 17266 'T1 relaxation values' 64 17266 'T2 relaxation values' 66 17266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2011-08-16 2010-10-25 update BMRB 'changed T2 units from s-1 to s' 17266 2 . . 2011-03-24 2010-10-25 update BMRB 'update entry citation' 17266 1 . . 2011-02-10 2010-10-25 original author 'original release' 17266 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L55 'BMRB Entry Tracking System' 17266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21299248 _Citation.Full_citation . _Citation.Title 'Structural and Metal Binding Characterization of the C-Terminal Metallochaperone Domain of Membrane Fusion Protein SilB from Cupriavidus metallidurans CH34.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2194 _Citation.Page_last 2204 _Citation.Year 2011 _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 Beate Bersch . . . 17266 1 2 Kheiro-Mouna Derfoufi . . . 17266 1 3 Fabien 'De Angelis' . . . 17266 1 4 Vanessa Auquier . . . 17266 1 5 Elisabeth 'Ngonlong Ekende' . . . 17266 1 6 Max Mergeay . . . 17266 1 7 Jean-Marie Ruysschaert . . . 17266 1 8 Guy Vandenbussche . . . 17266 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'copper resistance' 17266 1 'heavy metal efflux' 17266 1 'resistance nodulation cell division' 17266 1 'silver resistance' 17266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17266 _Assembly.ID 1 _Assembly.Name SilB(440-521) _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SilB(440-521) 1 $SilB(440-521) A . yes native no no . . . 17266 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'metal sequestration' 17266 1 'metal trafficking' 17266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SilB(440-521) _Entity.Sf_category entity _Entity.Sf_framecode SilB(440-521) _Entity.Entry_ID 17266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SilB(440-521) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPEHRAVGRIQSIGERSLII AHEAIPSAQWGAMTMEFAAP PAGLPQGLKAGDRVAFSFRL DPHGMATLVTVAPQVQTAGA KP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G1 to P82' _Entity.Polymer_author_seq_details 'residues 440 to 521 in the unprocessed protein sequence have been renumbered from 1 to 82 in this pdb entry and associated data' _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment SilB(440-521) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8540.854 _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 2L55 . "Solution Structure Of The C-Terminal Domain Of Silb From Cupriavidus Metallidurans" . . . . . 100.00 82 100.00 100.00 5.48e-50 . . . . 17266 1 2 no EMBL CAI11314 . "silver efflux protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 521 100.00 100.00 5.11e-47 . . . . 17266 1 3 no GB ABF12994 . "SilB,Silver efflux protein, MFP component of the three components proton antiporter metal efflux system [Cupriavidus metallidur" . . . . . 100.00 521 100.00 100.00 5.11e-47 . . . . 17266 1 4 no GB ELA00440 . "silver efflux protein [Cupriavidus sp. HMR-1]" . . . . . 100.00 520 97.56 98.78 8.62e-46 . . . . 17266 1 5 no REF WP_008642712 . "MULTISPECIES: silver efflux protein [Cupriavidus]" . . . . . 100.00 520 97.56 98.78 8.62e-46 . . . . 17266 1 6 no REF WP_011229392 . "RND transporter MFP subunit [Cupriavidus metallidurans]" . . . . . 100.00 521 100.00 100.00 5.11e-47 . . . . 17266 1 7 no REF WP_017510653 . "MULTISPECIES: RND transporter MFP subunit [Cupriavidus]" . . . . . 100.00 521 100.00 100.00 4.90e-47 . . . . 17266 1 8 no REF YP_145665 . "silver efflux protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 521 100.00 100.00 5.11e-47 . . . . 17266 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'metal chaperon' 17266 1 'metal efflux' 17266 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17266 1 2 . PRO . 17266 1 3 . GLU . 17266 1 4 . HIS . 17266 1 5 . ARG . 17266 1 6 . ALA . 17266 1 7 . VAL . 17266 1 8 . GLY . 17266 1 9 . ARG . 17266 1 10 . ILE . 17266 1 11 . GLN . 17266 1 12 . SER . 17266 1 13 . ILE . 17266 1 14 . GLY . 17266 1 15 . GLU . 17266 1 16 . ARG . 17266 1 17 . SER . 17266 1 18 . LEU . 17266 1 19 . ILE . 17266 1 20 . ILE . 17266 1 21 . ALA . 17266 1 22 . HIS . 17266 1 23 . GLU . 17266 1 24 . ALA . 17266 1 25 . ILE . 17266 1 26 . PRO . 17266 1 27 . SER . 17266 1 28 . ALA . 17266 1 29 . GLN . 17266 1 30 . TRP . 17266 1 31 . GLY . 17266 1 32 . ALA . 17266 1 33 . MET . 17266 1 34 . THR . 17266 1 35 . MET . 17266 1 36 . GLU . 17266 1 37 . PHE . 17266 1 38 . ALA . 17266 1 39 . ALA . 17266 1 40 . PRO . 17266 1 41 . PRO . 17266 1 42 . ALA . 17266 1 43 . GLY . 17266 1 44 . LEU . 17266 1 45 . PRO . 17266 1 46 . GLN . 17266 1 47 . GLY . 17266 1 48 . LEU . 17266 1 49 . LYS . 17266 1 50 . ALA . 17266 1 51 . GLY . 17266 1 52 . ASP . 17266 1 53 . ARG . 17266 1 54 . VAL . 17266 1 55 . ALA . 17266 1 56 . PHE . 17266 1 57 . SER . 17266 1 58 . PHE . 17266 1 59 . ARG . 17266 1 60 . LEU . 17266 1 61 . ASP . 17266 1 62 . PRO . 17266 1 63 . HIS . 17266 1 64 . GLY . 17266 1 65 . MET . 17266 1 66 . ALA . 17266 1 67 . THR . 17266 1 68 . LEU . 17266 1 69 . VAL . 17266 1 70 . THR . 17266 1 71 . VAL . 17266 1 72 . ALA . 17266 1 73 . PRO . 17266 1 74 . GLN . 17266 1 75 . VAL . 17266 1 76 . GLN . 17266 1 77 . THR . 17266 1 78 . ALA . 17266 1 79 . GLY . 17266 1 80 . ALA . 17266 1 81 . LYS . 17266 1 82 . PRO . 17266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17266 1 . PRO 2 2 17266 1 . GLU 3 3 17266 1 . HIS 4 4 17266 1 . ARG 5 5 17266 1 . ALA 6 6 17266 1 . VAL 7 7 17266 1 . GLY 8 8 17266 1 . ARG 9 9 17266 1 . ILE 10 10 17266 1 . GLN 11 11 17266 1 . SER 12 12 17266 1 . ILE 13 13 17266 1 . GLY 14 14 17266 1 . GLU 15 15 17266 1 . ARG 16 16 17266 1 . SER 17 17 17266 1 . LEU 18 18 17266 1 . ILE 19 19 17266 1 . ILE 20 20 17266 1 . ALA 21 21 17266 1 . HIS 22 22 17266 1 . GLU 23 23 17266 1 . ALA 24 24 17266 1 . ILE 25 25 17266 1 . PRO 26 26 17266 1 . SER 27 27 17266 1 . ALA 28 28 17266 1 . GLN 29 29 17266 1 . TRP 30 30 17266 1 . GLY 31 31 17266 1 . ALA 32 32 17266 1 . MET 33 33 17266 1 . THR 34 34 17266 1 . MET 35 35 17266 1 . GLU 36 36 17266 1 . PHE 37 37 17266 1 . ALA 38 38 17266 1 . ALA 39 39 17266 1 . PRO 40 40 17266 1 . PRO 41 41 17266 1 . ALA 42 42 17266 1 . GLY 43 43 17266 1 . LEU 44 44 17266 1 . PRO 45 45 17266 1 . GLN 46 46 17266 1 . GLY 47 47 17266 1 . LEU 48 48 17266 1 . LYS 49 49 17266 1 . ALA 50 50 17266 1 . GLY 51 51 17266 1 . ASP 52 52 17266 1 . ARG 53 53 17266 1 . VAL 54 54 17266 1 . ALA 55 55 17266 1 . PHE 56 56 17266 1 . SER 57 57 17266 1 . PHE 58 58 17266 1 . ARG 59 59 17266 1 . LEU 60 60 17266 1 . ASP 61 61 17266 1 . PRO 62 62 17266 1 . HIS 63 63 17266 1 . GLY 64 64 17266 1 . MET 65 65 17266 1 . ALA 66 66 17266 1 . THR 67 67 17266 1 . LEU 68 68 17266 1 . VAL 69 69 17266 1 . THR 70 70 17266 1 . VAL 71 71 17266 1 . ALA 72 72 17266 1 . PRO 73 73 17266 1 . GLN 74 74 17266 1 . VAL 75 75 17266 1 . GLN 76 76 17266 1 . THR 77 77 17266 1 . ALA 78 78 17266 1 . GLY 79 79 17266 1 . ALA 80 80 17266 1 . LYS 81 81 17266 1 . PRO 82 82 17266 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 17266 _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 $SilB(440-521) . . organism . 'Cupriavidus metallidurans' 'Cupriavidus metallidurans' . . Bacteria . Cupriavidus metallidurans CH34 . . . . . . . . . . . . . . . silB . 'residues 440 to 521 (numbering of the unprocessed protein)' . . 17266 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 17266 _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 $SilB(440-521) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET30b . . . . . . 17266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17266 _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 SilB(440-521) '[U-100% 15N]' . . 1 $SilB(440-521) . . 1 . . mM . . . . 17266 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 17266 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17266 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17266 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17266 _Sample.ID 2 _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 SilB(440-521) '[U-100% 13C; U-100% 15N]' . . 1 $SilB(440-521) . . 1 . . mM . . . . 17266 2 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 17266 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17266 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17266 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17266 _Sample.ID 3 _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 SilB(440-521) '[U-100% 15N]' . . 1 $SilB(440-521) . . 1 . . mM . . . . 17266 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 17266 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17266 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17266 3 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 17266 _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' 50 . mM 17266 1 pH 6.0 . pH 17266 1 pressure 1 . atm 17266 1 temperature 273 . K 17266 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17266 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17266 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17266 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17266 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17266 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17266 3 stop_ save_ save_BATCH _Software.Sf_category software _Software.Sf_framecode BATCH _Software.Entry_ID 17266 _Software.ID 4 _Software.Name BATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lescop, Brutscher' . bernhard.brutscher@ibs.fr 17266 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17266 4 stop_ save_ save_UNIO08 _Software.Sf_category software _Software.Sf_framecode UNIO08 _Software.Entry_ID 17266 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 17266 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17266 5 'peak picking' 17266 5 'structure solution' 17266 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17266 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17266 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17266 6 stop_ save_ save_Curvefit _Software.Sf_category software _Software.Sf_framecode Curvefit _Software.Entry_ID 17266 _Software.ID 7 _Software.Name CurveFit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'AG Palmer' . agp6@columbia.edu 17266 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17266 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17266 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17266 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'determination of dihedral angles' 17266 8 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 17266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 17266 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17266 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 17266 _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 Varian VNMRS . 800 cryoprobe . . 17266 1 2 spectrometer_2 Varian VNMRS . 600 cryoprobe . . 17266 1 3 spectrometer_3 Varian VNMRS . 600 . . . 17266 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 17266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 7 3D-intraHNCA no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 8 3D-intraHN(CA)CB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 9 '2D 1H-15N HADAMAC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17266 1 10 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17266 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17266 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17266 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17266 1 14 'T1 relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17266 1 15 'T1rho relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17266 1 16 'T2 relaxation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17266 1 17 'Heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17266 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 17266 _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 . . . . . . . . . 17266 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . . . . . 17266 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17266 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_assignments_silb _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_silb _Assigned_chem_shift_list.Entry_ID 17266 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17266 1 2 '2D 1H-13C HSQC' . . . 17266 1 11 '3D 1H-15N NOESY' . . . 17266 1 12 '3D 1H-13C NOESY' . . . 17266 1 13 '2D 1H-1H NOESY' . . . 17266 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 GLY HA2 H 1 4.014 . . 2 . . . . 1 GLY HA2 . 17266 1 2 . 1 1 1 1 GLY HA3 H 1 3.932 . . 2 . . . . 1 GLY HA3 . 17266 1 3 . 1 1 1 1 GLY CA C 13 43.322 . . 1 . . . . 1 GLY CA . 17266 1 4 . 1 1 2 2 PRO HA H 1 4.306 . . 1 . . . . 2 PRO HA . 17266 1 5 . 1 1 2 2 PRO HB2 H 1 2.079 . . 2 . . . . 2 PRO HB2 . 17266 1 6 . 1 1 2 2 PRO HB3 H 1 1.524 . . 2 . . . . 2 PRO HB3 . 17266 1 7 . 1 1 2 2 PRO HD2 H 1 3.531 . . 2 . . . . 2 PRO HD2 . 17266 1 8 . 1 1 2 2 PRO HD3 H 1 3.477 . . 2 . . . . 2 PRO HD3 . 17266 1 9 . 1 1 2 2 PRO HG2 H 1 1.915 . . 2 . . . . 2 PRO HG2 . 17266 1 10 . 1 1 2 2 PRO HG3 H 1 1.715 . . 2 . . . . 2 PRO HG3 . 17266 1 11 . 1 1 2 2 PRO C C 13 175.072 . . 1 . . . . 2 PRO C . 17266 1 12 . 1 1 2 2 PRO CA C 13 62.756 . . 1 . . . . 2 PRO CA . 17266 1 13 . 1 1 2 2 PRO CB C 13 32.466 . . 1 . . . . 2 PRO CB . 17266 1 14 . 1 1 2 2 PRO CD C 13 49.700 . . 1 . . . . 2 PRO CD . 17266 1 15 . 1 1 2 2 PRO CG C 13 26.785 . . 1 . . . . 2 PRO CG . 17266 1 16 . 1 1 3 3 GLU H H 1 8.047 . . 1 . . . . 3 GLU HN . 17266 1 17 . 1 1 3 3 GLU HA H 1 4.274 . . 1 . . . . 3 GLU HA . 17266 1 18 . 1 1 3 3 GLU HB2 H 1 1.661 . . 1 . . . . 3 GLU HB2 . 17266 1 19 . 1 1 3 3 GLU HB3 H 1 1.661 . . 2 . . . . 3 GLU HB3 . 17266 1 20 . 1 1 3 3 GLU HG2 H 1 1.933 . . 1 . . . . 3 GLU HG2 . 17266 1 21 . 1 1 3 3 GLU HG3 H 1 1.869 . . 2 . . . . 3 GLU HG3 . 17266 1 22 . 1 1 3 3 GLU C C 13 175.097 . . 1 . . . . 3 GLU C . 17266 1 23 . 1 1 3 3 GLU CA C 13 55.133 . . 1 . . . . 3 GLU CA . 17266 1 24 . 1 1 3 3 GLU CB C 13 31.357 . . 1 . . . . 3 GLU CB . 17266 1 25 . 1 1 3 3 GLU CG C 13 37.009 . . 1 . . . . 3 GLU CG . 17266 1 26 . 1 1 3 3 GLU N N 15 119.910 . . 1 . . . . 3 GLU N . 17266 1 27 . 1 1 4 4 HIS H H 1 8.237 . . 1 . . . . 4 HIS HN . 17266 1 28 . 1 1 4 4 HIS HA H 1 4.220 . . 1 . . . . 4 HIS HA . 17266 1 29 . 1 1 4 4 HIS HB2 H 1 1.854 . . 1 . . . . 4 HIS HB2 . 17266 1 30 . 1 1 4 4 HIS HB3 H 1 0.906 . . 1 . . . . 4 HIS HB3 . 17266 1 31 . 1 1 4 4 HIS HD2 H 1 6.111 . . 1 . . . . 4 HIS HD2 . 17266 1 32 . 1 1 4 4 HIS HE1 H 1 7.334 . . 1 . . . . 4 HIS HE1 . 17266 1 33 . 1 1 4 4 HIS C C 13 173.938 . . 1 . . . . 4 HIS C . 17266 1 34 . 1 1 4 4 HIS CA C 13 54.870 . . 1 . . . . 4 HIS CA . 17266 1 35 . 1 1 4 4 HIS CB C 13 32.755 . . 1 . . . . 4 HIS CB . 17266 1 36 . 1 1 4 4 HIS CD2 C 13 119.093 . . 1 . . . . 4 HIS CD2 . 17266 1 37 . 1 1 4 4 HIS CE1 C 13 138.872 . . 1 . . . . 4 HIS CE1 . 17266 1 38 . 1 1 4 4 HIS N N 15 124.145 . . 1 . . . . 4 HIS N . 17266 1 39 . 1 1 4 4 HIS ND1 N 15 241.397 . . 1 . . . . 4 HIS ND1 . 17266 1 40 . 1 1 4 4 HIS NE2 N 15 165.338 . . 1 . . . . 4 HIS NE2 . 17266 1 41 . 1 1 5 5 ARG H H 1 8.548 . . 1 . . . . 5 ARG HN . 17266 1 42 . 1 1 5 5 ARG HA H 1 4.711 . . 1 . . . . 5 ARG HA . 17266 1 43 . 1 1 5 5 ARG HB2 H 1 1.704 . . 1 . . . . 5 ARG HB2 . 17266 1 44 . 1 1 5 5 ARG HB3 H 1 1.534 . . 1 . . . . 5 ARG HB3 . 17266 1 45 . 1 1 5 5 ARG HD2 H 1 3.020 . . 1 . . . . 5 ARG HD2 . 17266 1 46 . 1 1 5 5 ARG HD3 H 1 3.020 . . 2 . . . . 5 ARG HD3 . 17266 1 47 . 1 1 5 5 ARG HE H 1 8.363 . . 1 . . . . 5 ARG HE . 17266 1 48 . 1 1 5 5 ARG HG2 H 1 1.440 . . 2 . . . . 5 ARG HG2 . 17266 1 49 . 1 1 5 5 ARG HG3 H 1 1.440 . . 2 . . . . 5 ARG HG3 . 17266 1 50 . 1 1 5 5 ARG C C 13 174.813 . . 1 . . . . 5 ARG C . 17266 1 51 . 1 1 5 5 ARG CA C 13 54.921 . . 1 . . . . 5 ARG CA . 17266 1 52 . 1 1 5 5 ARG CB C 13 32.639 . . 1 . . . . 5 ARG CB . 17266 1 53 . 1 1 5 5 ARG CD C 13 43.410 . . 1 . . . . 5 ARG CD . 17266 1 54 . 1 1 5 5 ARG CG C 13 27.709 . . 1 . . . . 5 ARG CG . 17266 1 55 . 1 1 5 5 ARG N N 15 120.689 . . 1 . . . . 5 ARG N . 17266 1 56 . 1 1 5 5 ARG NE N 15 91.087 . . 1 . . . . 5 ARG NE . 17266 1 57 . 1 1 6 6 ALA H H 1 8.512 . . 1 . . . . 6 ALA HN . 17266 1 58 . 1 1 6 6 ALA HA H 1 4.633 . . 1 . . . . 6 ALA HA . 17266 1 59 . 1 1 6 6 ALA HB1 H 1 0.682 . . 1 . . . . 6 ALA HB1 . 17266 1 60 . 1 1 6 6 ALA HB2 H 1 0.682 . . 1 . . . . 6 ALA HB1 . 17266 1 61 . 1 1 6 6 ALA HB3 H 1 0.682 . . 1 . . . . 6 ALA HB1 . 17266 1 62 . 1 1 6 6 ALA C C 13 174.991 . . 1 . . . . 6 ALA C . 17266 1 63 . 1 1 6 6 ALA CA C 13 50.970 . . 1 . . . . 6 ALA CA . 17266 1 64 . 1 1 6 6 ALA CB C 13 24.934 . . 1 . . . . 6 ALA CB . 17266 1 65 . 1 1 6 6 ALA N N 15 123.079 . . 1 . . . . 6 ALA N . 17266 1 66 . 1 1 7 7 VAL H H 1 8.017 . . 1 . . . . 7 VAL HN . 17266 1 67 . 1 1 7 7 VAL HA H 1 5.353 . . 1 . . . . 7 VAL HA . 17266 1 68 . 1 1 7 7 VAL HB H 1 2.035 . . 1 . . . . 7 VAL HB . 17266 1 69 . 1 1 7 7 VAL HG11 H 1 0.878 . . 1 . . . . 7 VAL HG11 . 17266 1 70 . 1 1 7 7 VAL HG12 H 1 0.878 . . 1 . . . . 7 VAL HG11 . 17266 1 71 . 1 1 7 7 VAL HG13 H 1 0.878 . . 1 . . . . 7 VAL HG11 . 17266 1 72 . 1 1 7 7 VAL HG21 H 1 0.932 . . 1 . . . . 7 VAL HG21 . 17266 1 73 . 1 1 7 7 VAL HG22 H 1 0.932 . . 1 . . . . 7 VAL HG21 . 17266 1 74 . 1 1 7 7 VAL HG23 H 1 0.932 . . 1 . . . . 7 VAL HG21 . 17266 1 75 . 1 1 7 7 VAL C C 13 175.748 . . 1 . . . . 7 VAL C . 17266 1 76 . 1 1 7 7 VAL CA C 13 59.652 . . 1 . . . . 7 VAL CA . 17266 1 77 . 1 1 7 7 VAL CB C 13 35.752 . . 1 . . . . 7 VAL CB . 17266 1 78 . 1 1 7 7 VAL CG1 C 13 20.161 . . 1 . . . . 7 VAL CG1 . 17266 1 79 . 1 1 7 7 VAL CG2 C 13 21.429 . . 1 . . . . 7 VAL CG2 . 17266 1 80 . 1 1 7 7 VAL N N 15 115.344 . . 1 . . . . 7 VAL N . 17266 1 81 . 1 1 8 8 GLY H H 1 8.895 . . 1 . . . . 8 GLY HN . 17266 1 82 . 1 1 8 8 GLY HA2 H 1 4.628 . . 1 . . . . 8 GLY HA2 . 17266 1 83 . 1 1 8 8 GLY HA3 H 1 4.087 . . 1 . . . . 8 GLY HA3 . 17266 1 84 . 1 1 8 8 GLY C C 13 170.303 . . 1 . . . . 8 GLY C . 17266 1 85 . 1 1 8 8 GLY CA C 13 47.067 . . 1 . . . . 8 GLY CA . 17266 1 86 . 1 1 8 8 GLY N N 15 107.915 . . 1 . . . . 8 GLY N . 17266 1 87 . 1 1 9 9 ARG H H 1 8.652 . . 1 . . . . 9 ARG HN . 17266 1 88 . 1 1 9 9 ARG HA H 1 5.321 . . 1 . . . . 9 ARG HA . 17266 1 89 . 1 1 9 9 ARG HB2 H 1 1.669 . . 1 . . . . 9 ARG HB2 . 17266 1 90 . 1 1 9 9 ARG HB3 H 1 1.669 . . 1 . . . . 9 ARG HB3 . 17266 1 91 . 1 1 9 9 ARG HD2 H 1 3.723 . . 1 . . . . 9 ARG HD2 . 17266 1 92 . 1 1 9 9 ARG HD3 H 1 3.142 . . 1 . . . . 9 ARG HD3 . 17266 1 93 . 1 1 9 9 ARG HE H 1 8.852 . . 1 . . . . 9 ARG HE . 17266 1 94 . 1 1 9 9 ARG HG2 H 1 1.455 . . 1 . . . . 9 ARG HG2 . 17266 1 95 . 1 1 9 9 ARG HG3 H 1 1.377 . . 1 . . . . 9 ARG HG3 . 17266 1 96 . 1 1 9 9 ARG C C 13 176.312 . . 1 . . . . 9 ARG C . 17266 1 97 . 1 1 9 9 ARG CA C 13 53.931 . . 1 . . . . 9 ARG CA . 17266 1 98 . 1 1 9 9 ARG CB C 13 33.946 . . 1 . . . . 9 ARG CB . 17266 1 99 . 1 1 9 9 ARG CD C 13 43.565 . . 1 . . . . 9 ARG CD . 17266 1 100 . 1 1 9 9 ARG CG C 13 27.746 . . 1 . . . . 9 ARG CG . 17266 1 101 . 1 1 9 9 ARG N N 15 120.431 . . 1 . . . . 9 ARG N . 17266 1 102 . 1 1 9 9 ARG NE N 15 83.589 . . 1 . . . . 9 ARG NE . 17266 1 103 . 1 1 10 10 ILE H H 1 9.040 . . 1 . . . . 10 ILE HN . 17266 1 104 . 1 1 10 10 ILE HA H 1 3.757 . . 1 . . . . 10 ILE HA . 17266 1 105 . 1 1 10 10 ILE HB H 1 2.030 . . 1 . . . . 10 ILE HB . 17266 1 106 . 1 1 10 10 ILE HD11 H 1 0.778 . . 1 . . . . 10 ILE HD11 . 17266 1 107 . 1 1 10 10 ILE HD12 H 1 0.778 . . 1 . . . . 10 ILE HD11 . 17266 1 108 . 1 1 10 10 ILE HD13 H 1 0.778 . . 1 . . . . 10 ILE HD11 . 17266 1 109 . 1 1 10 10 ILE HG12 H 1 1.783 . . 1 . . . . 10 ILE HG12 . 17266 1 110 . 1 1 10 10 ILE HG13 H 1 0.762 . . 1 . . . . 10 ILE HG13 . 17266 1 111 . 1 1 10 10 ILE HG21 H 1 0.666 . . 1 . . . . 10 ILE HG21 . 17266 1 112 . 1 1 10 10 ILE HG22 H 1 0.666 . . 1 . . . . 10 ILE HG21 . 17266 1 113 . 1 1 10 10 ILE HG23 H 1 0.666 . . 1 . . . . 10 ILE HG21 . 17266 1 114 . 1 1 10 10 ILE C C 13 175.910 . . 1 . . . . 10 ILE C . 17266 1 115 . 1 1 10 10 ILE CA C 13 63.559 . . 1 . . . . 10 ILE CA . 17266 1 116 . 1 1 10 10 ILE CB C 13 38.002 . . 1 . . . . 10 ILE CB . 17266 1 117 . 1 1 10 10 ILE CD1 C 13 14.526 . . 1 . . . . 10 ILE CD1 . 17266 1 118 . 1 1 10 10 ILE CG1 C 13 28.219 . . 1 . . . . 10 ILE CG1 . 17266 1 119 . 1 1 10 10 ILE CG2 C 13 18.310 . . 1 . . . . 10 ILE CG2 . 17266 1 120 . 1 1 10 10 ILE N N 15 125.617 . . 1 . . . . 10 ILE N . 17266 1 121 . 1 1 11 11 GLN H H 1 9.709 . . 1 . . . . 11 GLN HN . 17266 1 122 . 1 1 11 11 GLN HA H 1 4.453 . . 1 . . . . 11 GLN HA . 17266 1 123 . 1 1 11 11 GLN HB2 H 1 1.979 . . 1 . . . . 11 GLN HB2 . 17266 1 124 . 1 1 11 11 GLN HB3 H 1 1.808 . . 2 . . . . 11 GLN HB3 . 17266 1 125 . 1 1 11 11 GLN HE21 H 1 6.907 . . 2 . . . . 11 GLN HE21 . 17266 1 126 . 1 1 11 11 GLN HE22 H 1 7.209 . . 1 . . . . 11 GLN HE22 . 17266 1 127 . 1 1 11 11 GLN HG2 H 1 2.248 . . 2 . . . . 11 GLN HG2 . 17266 1 128 . 1 1 11 11 GLN HG3 H 1 2.248 . . 2 . . . . 11 GLN HG3 . 17266 1 129 . 1 1 11 11 GLN C C 13 175.589 . . 1 . . . . 11 GLN C . 17266 1 130 . 1 1 11 11 GLN CA C 13 56.772 . . 1 . . . . 11 GLN CA . 17266 1 131 . 1 1 11 11 GLN CB C 13 30.576 . . 1 . . . . 11 GLN CB . 17266 1 132 . 1 1 11 11 GLN CG C 13 34.399 . . 1 . . . . 11 GLN CG . 17266 1 133 . 1 1 11 11 GLN N N 15 130.803 . . 1 . . . . 11 GLN N . 17266 1 134 . 1 1 11 11 GLN NE2 N 15 112.019 . . 1 . . . . 11 GLN NE2 . 17266 1 135 . 1 1 12 12 SER H H 1 7.679 . . 1 . . . . 12 SER HN . 17266 1 136 . 1 1 12 12 SER HA H 1 4.440 . . 1 . . . . 12 SER HA . 17266 1 137 . 1 1 12 12 SER HB2 H 1 3.707 . . 1 . . . . 12 SER HB2 . 17266 1 138 . 1 1 12 12 SER HB3 H 1 3.707 . . 1 . . . . 12 SER HB3 . 17266 1 139 . 1 1 12 12 SER C C 13 171.551 . . 1 . . . . 12 SER C . 17266 1 140 . 1 1 12 12 SER CA C 13 57.781 . . 1 . . . . 12 SER CA . 17266 1 141 . 1 1 12 12 SER CB C 13 64.380 . . 1 . . . . 12 SER CB . 17266 1 142 . 1 1 12 12 SER N N 15 110.116 . . 1 . . . . 12 SER N . 17266 1 143 . 1 1 13 13 ILE H H 1 8.687 . . 1 . . . . 13 ILE HN . 17266 1 144 . 1 1 13 13 ILE HA H 1 4.255 . . 1 . . . . 13 ILE HA . 17266 1 145 . 1 1 13 13 ILE HB H 1 1.674 . . 1 . . . . 13 ILE HB . 17266 1 146 . 1 1 13 13 ILE HD11 H 1 0.675 . . 1 . . . . 13 ILE HD11 . 17266 1 147 . 1 1 13 13 ILE HD12 H 1 0.675 . . 1 . . . . 13 ILE HD11 . 17266 1 148 . 1 1 13 13 ILE HD13 H 1 0.675 . . 1 . . . . 13 ILE HD11 . 17266 1 149 . 1 1 13 13 ILE HG12 H 1 0.834 . . 1 . . . . 13 ILE HG12 . 17266 1 150 . 1 1 13 13 ILE HG13 H 1 1.355 . . 1 . . . . 13 ILE HG13 . 17266 1 151 . 1 1 13 13 ILE HG21 H 1 0.927 . . 1 . . . . 13 ILE HG21 . 17266 1 152 . 1 1 13 13 ILE HG22 H 1 0.927 . . 1 . . . . 13 ILE HG21 . 17266 1 153 . 1 1 13 13 ILE HG23 H 1 0.927 . . 1 . . . . 13 ILE HG21 . 17266 1 154 . 1 1 13 13 ILE C C 13 175.320 . . 1 . . . . 13 ILE C . 17266 1 155 . 1 1 13 13 ILE CA C 13 61.612 . . 1 . . . . 13 ILE CA . 17266 1 156 . 1 1 13 13 ILE CB C 13 39.631 . . 1 . . . . 13 ILE CB . 17266 1 157 . 1 1 13 13 ILE CD1 C 13 13.969 . . 1 . . . . 13 ILE CD1 . 17266 1 158 . 1 1 13 13 ILE CG1 C 13 28.212 . . 1 . . . . 13 ILE CG1 . 17266 1 159 . 1 1 13 13 ILE CG2 C 13 17.304 . . 1 . . . . 13 ILE CG2 . 17266 1 160 . 1 1 13 13 ILE N N 15 123.184 . . 1 . . . . 13 ILE N . 17266 1 161 . 1 1 14 14 GLY H H 1 8.283 . . 1 . . . . 14 GLY HN . 17266 1 162 . 1 1 14 14 GLY HA2 H 1 3.756 . . 1 . . . . 14 GLY HA2 . 17266 1 163 . 1 1 14 14 GLY HA3 H 1 4.574 . . 1 . . . . 14 GLY HA3 . 17266 1 164 . 1 1 14 14 GLY C C 13 173.097 . . 1 . . . . 14 GLY C . 17266 1 165 . 1 1 14 14 GLY CA C 13 43.600 . . 1 . . . . 14 GLY CA . 17266 1 166 . 1 1 14 14 GLY N N 15 117.009 . . 1 . . . . 14 GLY N . 17266 1 167 . 1 1 15 15 GLU H H 1 8.526 . . 1 . . . . 15 GLU HN . 17266 1 168 . 1 1 15 15 GLU HA H 1 4.056 . . 1 . . . . 15 GLU HA . 17266 1 169 . 1 1 15 15 GLU HB2 H 1 1.980 . . 1 . . . . 15 GLU HB2 . 17266 1 170 . 1 1 15 15 GLU HB3 H 1 1.980 . . 1 . . . . 15 GLU HB3 . 17266 1 171 . 1 1 15 15 GLU HG2 H 1 2.329 . . 1 . . . . 15 GLU HG2 . 17266 1 172 . 1 1 15 15 GLU HG3 H 1 2.244 . . 1 . . . . 15 GLU HG3 . 17266 1 173 . 1 1 15 15 GLU C C 13 178.066 . . 1 . . . . 15 GLU C . 17266 1 174 . 1 1 15 15 GLU CA C 13 59.014 . . 1 . . . . 15 GLU CA . 17266 1 175 . 1 1 15 15 GLU CB C 13 30.361 . . 1 . . . . 15 GLU CB . 17266 1 176 . 1 1 15 15 GLU CG C 13 36.590 . . 1 . . . . 15 GLU CG . 17266 1 177 . 1 1 15 15 GLU N N 15 118.776 . . 1 . . . . 15 GLU N . 17266 1 178 . 1 1 16 16 ARG H H 1 8.871 . . 1 . . . . 16 ARG HN . 17266 1 179 . 1 1 16 16 ARG HA H 1 4.504 . . 1 . . . . 16 ARG HA . 17266 1 180 . 1 1 16 16 ARG HB2 H 1 1.758 . . 1 . . . . 16 ARG HB2 . 17266 1 181 . 1 1 16 16 ARG HB3 H 1 2.061 . . 1 . . . . 16 ARG HB3 . 17266 1 182 . 1 1 16 16 ARG HD2 H 1 3.204 . . 1 . . . . 16 ARG HD2 . 17266 1 183 . 1 1 16 16 ARG HD3 H 1 3.204 . . 1 . . . . 16 ARG HD3 . 17266 1 184 . 1 1 16 16 ARG HE H 1 8.272 . . 1 . . . . 16 ARG HE . 17266 1 185 . 1 1 16 16 ARG HG2 H 1 1.570 . . 2 . . . . 16 ARG HG2 . 17266 1 186 . 1 1 16 16 ARG HG3 H 1 1.570 . . 2 . . . . 16 ARG HG3 . 17266 1 187 . 1 1 16 16 ARG C C 13 175.575 . . 1 . . . . 16 ARG C . 17266 1 188 . 1 1 16 16 ARG CA C 13 54.918 . . 1 . . . . 16 ARG CA . 17266 1 189 . 1 1 16 16 ARG CB C 13 31.235 . . 1 . . . . 16 ARG CB . 17266 1 190 . 1 1 16 16 ARG CD C 13 43.320 . . 1 . . . . 16 ARG CD . 17266 1 191 . 1 1 16 16 ARG CG C 13 27.265 . . 1 . . . . 16 ARG CG . 17266 1 192 . 1 1 16 16 ARG N N 15 114.357 . . 1 . . . . 16 ARG N . 17266 1 193 . 1 1 16 16 ARG NE N 15 87.395 . . 1 . . . . 16 ARG NE . 17266 1 194 . 1 1 17 17 SER H H 1 7.382 . . 1 . . . . 17 SER HN . 17266 1 195 . 1 1 17 17 SER HA H 1 5.065 . . 1 . . . . 17 SER HA . 17266 1 196 . 1 1 17 17 SER HB2 H 1 3.932 . . 1 . . . . 17 SER HB2 . 17266 1 197 . 1 1 17 17 SER HB3 H 1 3.713 . . 1 . . . . 17 SER HB3 . 17266 1 198 . 1 1 17 17 SER C C 13 171.488 . . 1 . . . . 17 SER C . 17266 1 199 . 1 1 17 17 SER CA C 13 57.262 . . 1 . . . . 17 SER CA . 17266 1 200 . 1 1 17 17 SER CB C 13 65.402 . . 1 . . . . 17 SER CB . 17266 1 201 . 1 1 17 17 SER N N 15 112.954 . . 1 . . . . 17 SER N . 17266 1 202 . 1 1 18 18 LEU H H 1 8.961 . . 1 . . . . 18 LEU HN . 17266 1 203 . 1 1 18 18 LEU HA H 1 4.908 . . 1 . . . . 18 LEU HA . 17266 1 204 . 1 1 18 18 LEU HB2 H 1 1.648 . . 2 . . . . 18 LEU HB2 . 17266 1 205 . 1 1 18 18 LEU HB3 H 1 1.432 . . 2 . . . . 18 LEU HB3 . 17266 1 206 . 1 1 18 18 LEU HD11 H 1 0.721 . . 2 . . . . 18 LEU HD11 . 17266 1 207 . 1 1 18 18 LEU HD12 H 1 0.721 . . 2 . . . . 18 LEU HD11 . 17266 1 208 . 1 1 18 18 LEU HD13 H 1 0.721 . . 2 . . . . 18 LEU HD11 . 17266 1 209 . 1 1 18 18 LEU HD21 H 1 0.923 . . 2 . . . . 18 LEU HD21 . 17266 1 210 . 1 1 18 18 LEU HD22 H 1 0.923 . . 2 . . . . 18 LEU HD21 . 17266 1 211 . 1 1 18 18 LEU HD23 H 1 0.923 . . 2 . . . . 18 LEU HD21 . 17266 1 212 . 1 1 18 18 LEU HG H 1 1.606 . . 1 . . . . 18 LEU HG . 17266 1 213 . 1 1 18 18 LEU C C 13 174.678 . . 1 . . . . 18 LEU C . 17266 1 214 . 1 1 18 18 LEU CA C 13 54.212 . . 1 . . . . 18 LEU CA . 17266 1 215 . 1 1 18 18 LEU CB C 13 46.135 . . 1 . . . . 18 LEU CB . 17266 1 216 . 1 1 18 18 LEU CD1 C 13 26.159 . . 1 . . . . 18 LEU CD1 . 17266 1 217 . 1 1 18 18 LEU CD2 C 13 26.198 . . 1 . . . . 18 LEU CD2 . 17266 1 218 . 1 1 18 18 LEU N N 15 116.709 . . 1 . . . . 18 LEU N . 17266 1 219 . 1 1 19 19 ILE H H 1 8.486 . . 1 . . . . 19 ILE HN . 17266 1 220 . 1 1 19 19 ILE HA H 1 4.845 . . 1 . . . . 19 ILE HA . 17266 1 221 . 1 1 19 19 ILE HB H 1 1.798 . . 1 . . . . 19 ILE HB . 17266 1 222 . 1 1 19 19 ILE HD11 H 1 0.657 . . 1 . . . . 19 ILE HD11 . 17266 1 223 . 1 1 19 19 ILE HD12 H 1 0.657 . . 1 . . . . 19 ILE HD11 . 17266 1 224 . 1 1 19 19 ILE HD13 H 1 0.657 . . 1 . . . . 19 ILE HD11 . 17266 1 225 . 1 1 19 19 ILE HG12 H 1 1.459 . . 1 . . . . 19 ILE HG12 . 17266 1 226 . 1 1 19 19 ILE HG13 H 1 0.866 . . 1 . . . . 19 ILE HG13 . 17266 1 227 . 1 1 19 19 ILE HG21 H 1 0.607 . . 1 . . . . 19 ILE HG21 . 17266 1 228 . 1 1 19 19 ILE HG22 H 1 0.607 . . 1 . . . . 19 ILE HG21 . 17266 1 229 . 1 1 19 19 ILE HG23 H 1 0.607 . . 1 . . . . 19 ILE HG21 . 17266 1 230 . 1 1 19 19 ILE C C 13 176.122 . . 1 . . . . 19 ILE C . 17266 1 231 . 1 1 19 19 ILE CA C 13 60.999 . . 1 . . . . 19 ILE CA . 17266 1 232 . 1 1 19 19 ILE CB C 13 37.189 . . 1 . . . . 19 ILE CB . 17266 1 233 . 1 1 19 19 ILE CD1 C 13 11.994 . . 1 . . . . 19 ILE CD1 . 17266 1 234 . 1 1 19 19 ILE CG1 C 13 27.858 . . 1 . . . . 19 ILE CG1 . 17266 1 235 . 1 1 19 19 ILE CG2 C 13 18.551 . . 1 . . . . 19 ILE CG2 . 17266 1 236 . 1 1 19 19 ILE N N 15 122.310 . . 1 . . . . 19 ILE N . 17266 1 237 . 1 1 20 20 ILE H H 1 9.170 . . 1 . . . . 20 ILE HN . 17266 1 238 . 1 1 20 20 ILE HA H 1 4.517 . . 1 . . . . 20 ILE HA . 17266 1 239 . 1 1 20 20 ILE HB H 1 1.620 . . 1 . . . . 20 ILE HB . 17266 1 240 . 1 1 20 20 ILE HD11 H 1 -0.534 . . 1 . . . . 20 ILE HD11 . 17266 1 241 . 1 1 20 20 ILE HD12 H 1 -0.534 . . 1 . . . . 20 ILE HD11 . 17266 1 242 . 1 1 20 20 ILE HD13 H 1 -0.534 . . 1 . . . . 20 ILE HD11 . 17266 1 243 . 1 1 20 20 ILE HG12 H 1 1.410 . . 1 . . . . 20 ILE HG12 . 17266 1 244 . 1 1 20 20 ILE HG13 H 1 0.322 . . 1 . . . . 20 ILE HG13 . 17266 1 245 . 1 1 20 20 ILE HG21 H 1 0.425 . . 1 . . . . 20 ILE HG21 . 17266 1 246 . 1 1 20 20 ILE HG22 H 1 0.425 . . 1 . . . . 20 ILE HG21 . 17266 1 247 . 1 1 20 20 ILE HG23 H 1 0.425 . . 1 . . . . 20 ILE HG21 . 17266 1 248 . 1 1 20 20 ILE C C 13 174.058 . . 1 . . . . 20 ILE C . 17266 1 249 . 1 1 20 20 ILE CA C 13 60.423 . . 1 . . . . 20 ILE CA . 17266 1 250 . 1 1 20 20 ILE CB C 13 41.985 . . 1 . . . . 20 ILE CB . 17266 1 251 . 1 1 20 20 ILE CD1 C 13 10.752 . . 1 . . . . 20 ILE CD1 . 17266 1 252 . 1 1 20 20 ILE CG1 C 13 28.073 . . 1 . . . . 20 ILE CG1 . 17266 1 253 . 1 1 20 20 ILE CG2 C 13 17.201 . . 1 . . . . 20 ILE CG2 . 17266 1 254 . 1 1 20 20 ILE N N 15 128.132 . . 1 . . . . 20 ILE N . 17266 1 255 . 1 1 21 21 ALA H H 1 8.698 . . 1 . . . . 21 ALA HN . 17266 1 256 . 1 1 21 21 ALA HA H 1 4.999 . . 1 . . . . 21 ALA HA . 17266 1 257 . 1 1 21 21 ALA HB1 H 1 1.284 . . 1 . . . . 21 ALA HB1 . 17266 1 258 . 1 1 21 21 ALA HB2 H 1 1.284 . . 1 . . . . 21 ALA HB1 . 17266 1 259 . 1 1 21 21 ALA HB3 H 1 1.284 . . 1 . . . . 21 ALA HB1 . 17266 1 260 . 1 1 21 21 ALA C C 13 176.500 . . 1 . . . . 21 ALA C . 17266 1 261 . 1 1 21 21 ALA CA C 13 51.047 . . 1 . . . . 21 ALA CA . 17266 1 262 . 1 1 21 21 ALA CB C 13 18.372 . . 1 . . . . 21 ALA CB . 17266 1 263 . 1 1 21 21 ALA N N 15 130.783 . . 1 . . . . 21 ALA N . 17266 1 264 . 1 1 22 22 HIS H H 1 9.068 . . 1 . . . . 22 HIS HN . 17266 1 265 . 1 1 22 22 HIS HA H 1 5.628 . . 1 . . . . 22 HIS HA . 17266 1 266 . 1 1 22 22 HIS HB2 H 1 3.667 . . 1 . . . . 22 HIS HB2 . 17266 1 267 . 1 1 22 22 HIS HB3 H 1 3.050 . . 1 . . . . 22 HIS HB3 . 17266 1 268 . 1 1 22 22 HIS HD2 H 1 7.090 . . 1 . . . . 22 HIS HD2 . 17266 1 269 . 1 1 22 22 HIS HE1 H 1 8.142 . . 1 . . . . 22 HIS HE1 . 17266 1 270 . 1 1 22 22 HIS C C 13 175.707 . . 1 . . . . 22 HIS C . 17266 1 271 . 1 1 22 22 HIS CA C 13 54.371 . . 1 . . . . 22 HIS CA . 17266 1 272 . 1 1 22 22 HIS CB C 13 33.581 . . 1 . . . . 22 HIS CB . 17266 1 273 . 1 1 22 22 HIS CE1 C 13 140.976 . . 1 . . . . 22 HIS CE1 . 17266 1 274 . 1 1 22 22 HIS N N 15 125.063 . . 1 . . . . 22 HIS N . 17266 1 275 . 1 1 22 22 HIS ND1 N 15 167.231 . . 1 . . . . 22 HIS ND1 . 17266 1 276 . 1 1 22 22 HIS NE2 N 15 257.572 . . 1 . . . . 22 HIS NE2 . 17266 1 277 . 1 1 23 23 GLU H H 1 8.253 . . 1 . . . . 23 GLU HN . 17266 1 278 . 1 1 23 23 GLU HA H 1 4.503 . . 1 . . . . 23 GLU HA . 17266 1 279 . 1 1 23 23 GLU HB2 H 1 2.385 . . 1 . . . . 23 GLU HB2 . 17266 1 280 . 1 1 23 23 GLU HB3 H 1 2.159 . . 2 . . . . 23 GLU HB3 . 17266 1 281 . 1 1 23 23 GLU HG2 H 1 2.390 . . 1 . . . . 23 GLU HG2 . 17266 1 282 . 1 1 23 23 GLU HG3 H 1 2.454 . . 1 . . . . 23 GLU HG3 . 17266 1 283 . 1 1 23 23 GLU C C 13 176.306 . . 1 . . . . 23 GLU C . 17266 1 284 . 1 1 23 23 GLU CA C 13 55.647 . . 1 . . . . 23 GLU CA . 17266 1 285 . 1 1 23 23 GLU CB C 13 30.202 . . 1 . . . . 23 GLU CB . 17266 1 286 . 1 1 23 23 GLU CG C 13 37.148 . . 1 . . . . 23 GLU CG . 17266 1 287 . 1 1 23 23 GLU N N 15 119.492 . . 1 . . . . 23 GLU N . 17266 1 288 . 1 1 24 24 ALA H H 1 8.906 . . 1 . . . . 24 ALA HN . 17266 1 289 . 1 1 24 24 ALA HA H 1 4.088 . . 1 . . . . 24 ALA HA . 17266 1 290 . 1 1 24 24 ALA HB1 H 1 1.559 . . 1 . . . . 24 ALA HB1 . 17266 1 291 . 1 1 24 24 ALA HB2 H 1 1.559 . . 1 . . . . 24 ALA HB1 . 17266 1 292 . 1 1 24 24 ALA HB3 H 1 1.559 . . 1 . . . . 24 ALA HB1 . 17266 1 293 . 1 1 24 24 ALA C C 13 177.678 . . 1 . . . . 24 ALA C . 17266 1 294 . 1 1 24 24 ALA CA C 13 54.030 . . 1 . . . . 24 ALA CA . 17266 1 295 . 1 1 24 24 ALA CB C 13 18.765 . . 1 . . . . 24 ALA CB . 17266 1 296 . 1 1 24 24 ALA N N 15 122.594 . . 1 . . . . 24 ALA N . 17266 1 297 . 1 1 25 25 ILE H H 1 8.448 . . 1 . . . . 25 ILE HN . 17266 1 298 . 1 1 25 25 ILE HA H 1 4.794 . . 1 . . . . 25 ILE HA . 17266 1 299 . 1 1 25 25 ILE HB H 1 1.987 . . 1 . . . . 25 ILE HB . 17266 1 300 . 1 1 25 25 ILE HD11 H 1 0.613 . . 1 . . . . 25 ILE HD11 . 17266 1 301 . 1 1 25 25 ILE HD12 H 1 0.613 . . 1 . . . . 25 ILE HD11 . 17266 1 302 . 1 1 25 25 ILE HD13 H 1 0.613 . . 1 . . . . 25 ILE HD11 . 17266 1 303 . 1 1 25 25 ILE HG12 H 1 2.141 . . 1 . . . . 25 ILE HG12 . 17266 1 304 . 1 1 25 25 ILE HG13 H 1 1.033 . . 1 . . . . 25 ILE HG13 . 17266 1 305 . 1 1 25 25 ILE HG21 H 1 0.806 . . 1 . . . . 25 ILE HG21 . 17266 1 306 . 1 1 25 25 ILE HG22 H 1 0.806 . . 1 . . . . 25 ILE HG21 . 17266 1 307 . 1 1 25 25 ILE HG23 H 1 0.806 . . 1 . . . . 25 ILE HG21 . 17266 1 308 . 1 1 25 25 ILE CA C 13 58.644 . . 1 . . . . 25 ILE CA . 17266 1 309 . 1 1 25 25 ILE CB C 13 39.399 . . 1 . . . . 25 ILE CB . 17266 1 310 . 1 1 25 25 ILE CD1 C 13 14.353 . . 1 . . . . 25 ILE CD1 . 17266 1 311 . 1 1 25 25 ILE CG1 C 13 26.113 . . 1 . . . . 25 ILE CG1 . 17266 1 312 . 1 1 25 25 ILE CG2 C 13 18.623 . . 1 . . . . 25 ILE CG2 . 17266 1 313 . 1 1 25 25 ILE N N 15 119.652 . . 1 . . . . 25 ILE N . 17266 1 314 . 1 1 26 26 PRO HA H 1 4.393 . . 1 . . . . 26 PRO HA . 17266 1 315 . 1 1 26 26 PRO HB2 H 1 2.386 . . 1 . . . . 26 PRO HB2 . 17266 1 316 . 1 1 26 26 PRO HB3 H 1 2.028 . . 1 . . . . 26 PRO HB3 . 17266 1 317 . 1 1 26 26 PRO HD2 H 1 4.010 . . 1 . . . . 26 PRO HD2 . 17266 1 318 . 1 1 26 26 PRO HD3 H 1 3.570 . . 1 . . . . 26 PRO HD3 . 17266 1 319 . 1 1 26 26 PRO HG2 H 1 2.180 . . 1 . . . . 26 PRO HG2 . 17266 1 320 . 1 1 26 26 PRO HG3 H 1 2.008 . . 1 . . . . 26 PRO HG3 . 17266 1 321 . 1 1 26 26 PRO C C 13 180.219 . . 1 . . . . 26 PRO C . 17266 1 322 . 1 1 26 26 PRO CA C 13 65.602 . . 1 . . . . 26 PRO CA . 17266 1 323 . 1 1 26 26 PRO CB C 13 31.780 . . 1 . . . . 26 PRO CB . 17266 1 324 . 1 1 26 26 PRO CD C 13 50.625 . . 1 . . . . 26 PRO CD . 17266 1 325 . 1 1 26 26 PRO CG C 13 27.461 . . 1 . . . . 26 PRO CG . 17266 1 326 . 1 1 27 27 SER H H 1 8.708 . . 1 . . . . 27 SER HN . 17266 1 327 . 1 1 27 27 SER HA H 1 4.095 . . 1 . . . . 27 SER HA . 17266 1 328 . 1 1 27 27 SER HB2 H 1 3.844 . . 1 . . . . 27 SER HB2 . 17266 1 329 . 1 1 27 27 SER HB3 H 1 4.102 . . 1 . . . . 27 SER HB3 . 17266 1 330 . 1 1 27 27 SER C C 13 175.121 . . 1 . . . . 27 SER C . 17266 1 331 . 1 1 27 27 SER CA C 13 61.598 . . 1 . . . . 27 SER CA . 17266 1 332 . 1 1 27 27 SER CB C 13 60.764 . . 1 . . . . 27 SER CB . 17266 1 333 . 1 1 27 27 SER N N 15 113.534 . . 1 . . . . 27 SER N . 17266 1 334 . 1 1 28 28 ALA H H 1 6.959 . . 1 . . . . 28 ALA HN . 17266 1 335 . 1 1 28 28 ALA HA H 1 3.875 . . 1 . . . . 28 ALA HA . 17266 1 336 . 1 1 28 28 ALA HB1 H 1 -0.194 . . 1 . . . . 28 ALA HB1 . 17266 1 337 . 1 1 28 28 ALA HB2 H 1 -0.194 . . 1 . . . . 28 ALA HB1 . 17266 1 338 . 1 1 28 28 ALA HB3 H 1 -0.194 . . 1 . . . . 28 ALA HB1 . 17266 1 339 . 1 1 28 28 ALA C C 13 174.898 . . 1 . . . . 28 ALA C . 17266 1 340 . 1 1 28 28 ALA CA C 13 51.010 . . 1 . . . . 28 ALA CA . 17266 1 341 . 1 1 28 28 ALA CB C 13 16.944 . . 1 . . . . 28 ALA CB . 17266 1 342 . 1 1 28 28 ALA N N 15 123.853 . . 1 . . . . 28 ALA N . 17266 1 343 . 1 1 29 29 GLN H H 1 7.849 . . 1 . . . . 29 GLN HN . 17266 1 344 . 1 1 29 29 GLN HA H 1 3.854 . . 1 . . . . 29 GLN HA . 17266 1 345 . 1 1 29 29 GLN HB2 H 1 2.286 . . 1 . . . . 29 GLN HB2 . 17266 1 346 . 1 1 29 29 GLN HB3 H 1 2.349 . . 2 . . . . 29 GLN HB3 . 17266 1 347 . 1 1 29 29 GLN HE21 H 1 7.512 . . 2 . . . . 29 GLN HE21 . 17266 1 348 . 1 1 29 29 GLN HE22 H 1 6.771 . . 1 . . . . 29 GLN HE22 . 17266 1 349 . 1 1 29 29 GLN HG2 H 1 2.294 . . 1 . . . . 29 GLN HG2 . 17266 1 350 . 1 1 29 29 GLN HG3 H 1 2.244 . . 1 . . . . 29 GLN HG3 . 17266 1 351 . 1 1 29 29 GLN C C 13 175.475 . . 1 . . . . 29 GLN C . 17266 1 352 . 1 1 29 29 GLN CA C 13 56.926 . . 1 . . . . 29 GLN CA . 17266 1 353 . 1 1 29 29 GLN CB C 13 26.408 . . 1 . . . . 29 GLN CB . 17266 1 354 . 1 1 29 29 GLN CG C 13 34.607 . . 1 . . . . 29 GLN CG . 17266 1 355 . 1 1 29 29 GLN N N 15 112.571 . . 1 . . . . 29 GLN N . 17266 1 356 . 1 1 29 29 GLN NE2 N 15 112.293 . . 1 . . . . 29 GLN NE2 . 17266 1 357 . 1 1 30 30 TRP H H 1 7.503 . . 1 . . . . 30 TRP HN . 17266 1 358 . 1 1 30 30 TRP HA H 1 5.333 . . 1 . . . . 30 TRP HA . 17266 1 359 . 1 1 30 30 TRP HB2 H 1 3.550 . . 1 . . . . 30 TRP HB2 . 17266 1 360 . 1 1 30 30 TRP HB3 H 1 3.111 . . 1 . . . . 30 TRP HB3 . 17266 1 361 . 1 1 30 30 TRP HD1 H 1 6.975 . . 1 . . . . 30 TRP HD1 . 17266 1 362 . 1 1 30 30 TRP HE1 H 1 9.856 . . 1 . . . . 30 TRP HE1 . 17266 1 363 . 1 1 30 30 TRP HE3 H 1 7.313 . . 1 . . . . 30 TRP HE3 . 17266 1 364 . 1 1 30 30 TRP HH2 H 1 6.745 . . 1 . . . . 30 TRP HH2 . 17266 1 365 . 1 1 30 30 TRP HZ2 H 1 7.421 . . 1 . . . . 30 TRP HZ2 . 17266 1 366 . 1 1 30 30 TRP HZ3 H 1 6.546 . . 1 . . . . 30 TRP HZ3 . 17266 1 367 . 1 1 30 30 TRP C C 13 178.584 . . 1 . . . . 30 TRP C . 17266 1 368 . 1 1 30 30 TRP CA C 13 54.075 . . 1 . . . . 30 TRP CA . 17266 1 369 . 1 1 30 30 TRP CB C 13 32.975 . . 1 . . . . 30 TRP CB . 17266 1 370 . 1 1 30 30 TRP CD1 C 13 125.989 . . 1 . . . . 30 TRP CD1 . 17266 1 371 . 1 1 30 30 TRP CE3 C 13 121.741 . . 1 . . . . 30 TRP CE3 . 17266 1 372 . 1 1 30 30 TRP CH2 C 13 125.082 . . 1 . . . . 30 TRP CH2 . 17266 1 373 . 1 1 30 30 TRP CZ2 C 13 115.107 . . 1 . . . . 30 TRP CZ2 . 17266 1 374 . 1 1 30 30 TRP CZ3 C 13 122.861 . . 1 . . . . 30 TRP CZ3 . 17266 1 375 . 1 1 30 30 TRP N N 15 117.705 . . 1 . . . . 30 TRP N . 17266 1 376 . 1 1 30 30 TRP NE1 N 15 126.170 . . 1 . . . . 30 TRP NE1 . 17266 1 377 . 1 1 31 31 GLY H H 1 8.874 . . 1 . . . . 31 GLY HN . 17266 1 378 . 1 1 31 31 GLY HA2 H 1 3.727 . . 1 . . . . 31 GLY HA2 . 17266 1 379 . 1 1 31 31 GLY HA3 H 1 4.318 . . 1 . . . . 31 GLY HA3 . 17266 1 380 . 1 1 31 31 GLY C C 13 171.440 . . 1 . . . . 31 GLY C . 17266 1 381 . 1 1 31 31 GLY CA C 13 43.905 . . 1 . . . . 31 GLY CA . 17266 1 382 . 1 1 31 31 GLY N N 15 112.933 . . 1 . . . . 31 GLY N . 17266 1 383 . 1 1 32 32 ALA H H 1 8.199 . . 1 . . . . 32 ALA HN . 17266 1 384 . 1 1 32 32 ALA HA H 1 4.117 . . 1 . . . . 32 ALA HA . 17266 1 385 . 1 1 32 32 ALA HB1 H 1 1.375 . . 1 . . . . 32 ALA HB1 . 17266 1 386 . 1 1 32 32 ALA HB2 H 1 1.375 . . 1 . . . . 32 ALA HB1 . 17266 1 387 . 1 1 32 32 ALA HB3 H 1 1.375 . . 1 . . . . 32 ALA HB1 . 17266 1 388 . 1 1 32 32 ALA C C 13 177.821 . . 1 . . . . 32 ALA C . 17266 1 389 . 1 1 32 32 ALA CA C 13 53.154 . . 1 . . . . 32 ALA CA . 17266 1 390 . 1 1 32 32 ALA CB C 13 18.709 . . 1 . . . . 32 ALA CB . 17266 1 391 . 1 1 32 32 ALA N N 15 120.183 . . 1 . . . . 32 ALA N . 17266 1 392 . 1 1 33 33 MET H H 1 6.912 . . 1 . . . . 33 MET HN . 17266 1 393 . 1 1 33 33 MET HA H 1 4.405 . . 1 . . . . 33 MET HA . 17266 1 394 . 1 1 33 33 MET HB2 H 1 1.965 . . 1 . . . . 33 MET HB2 . 17266 1 395 . 1 1 33 33 MET HB3 H 1 1.965 . . 2 . . . . 33 MET HB3 . 17266 1 396 . 1 1 33 33 MET HE1 H 1 1.683 . . 1 . . . . 33 MET HE1 . 17266 1 397 . 1 1 33 33 MET HE2 H 1 1.683 . . 1 . . . . 33 MET HE1 . 17266 1 398 . 1 1 33 33 MET HE3 H 1 1.683 . . 1 . . . . 33 MET HE1 . 17266 1 399 . 1 1 33 33 MET HG2 H 1 2.396 . . 1 . . . . 33 MET HG2 . 17266 1 400 . 1 1 33 33 MET HG3 H 1 2.275 . . 1 . . . . 33 MET HG3 . 17266 1 401 . 1 1 33 33 MET C C 13 172.763 . . 1 . . . . 33 MET C . 17266 1 402 . 1 1 33 33 MET CA C 13 55.075 . . 1 . . . . 33 MET CA . 17266 1 403 . 1 1 33 33 MET CB C 13 36.292 . . 1 . . . . 33 MET CB . 17266 1 404 . 1 1 33 33 MET CE C 13 16.763 . . 1 . . . . 33 MET CE . 17266 1 405 . 1 1 33 33 MET CG C 13 31.859 . . 1 . . . . 33 MET CG . 17266 1 406 . 1 1 33 33 MET N N 15 121.629 . . 1 . . . . 33 MET N . 17266 1 407 . 1 1 34 34 THR H H 1 7.938 . . 1 . . . . 34 THR HN . 17266 1 408 . 1 1 34 34 THR HA H 1 5.087 . . 1 . . . . 34 THR HA . 17266 1 409 . 1 1 34 34 THR HB H 1 3.785 . . 1 . . . . 34 THR HB . 17266 1 410 . 1 1 34 34 THR HG21 H 1 0.881 . . 1 . . . . 34 THR HG21 . 17266 1 411 . 1 1 34 34 THR HG22 H 1 0.881 . . 1 . . . . 34 THR HG21 . 17266 1 412 . 1 1 34 34 THR HG23 H 1 0.881 . . 1 . . . . 34 THR HG21 . 17266 1 413 . 1 1 34 34 THR C C 13 173.622 . . 1 . . . . 34 THR C . 17266 1 414 . 1 1 34 34 THR CA C 13 61.784 . . 1 . . . . 34 THR CA . 17266 1 415 . 1 1 34 34 THR CB C 13 69.470 . . 1 . . . . 34 THR CB . 17266 1 416 . 1 1 34 34 THR CG2 C 13 22.468 . . 1 . . . . 34 THR CG2 . 17266 1 417 . 1 1 34 34 THR N N 15 114.723 . . 1 . . . . 34 THR N . 17266 1 418 . 1 1 35 35 MET H H 1 8.615 . . 1 . . . . 35 MET HN . 17266 1 419 . 1 1 35 35 MET HA H 1 4.591 . . 1 . . . . 35 MET HA . 17266 1 420 . 1 1 35 35 MET HB2 H 1 1.960 . . 1 . . . . 35 MET HB2 . 17266 1 421 . 1 1 35 35 MET HB3 H 1 1.695 . . 1 . . . . 35 MET HB3 . 17266 1 422 . 1 1 35 35 MET HE1 H 1 1.475 . . 1 . . . . 35 MET HE1 . 17266 1 423 . 1 1 35 35 MET HE2 H 1 1.475 . . 1 . . . . 35 MET HE1 . 17266 1 424 . 1 1 35 35 MET HE3 H 1 1.475 . . 1 . . . . 35 MET HE1 . 17266 1 425 . 1 1 35 35 MET HG2 H 1 2.046 . . 1 . . . . 35 MET HG2 . 17266 1 426 . 1 1 35 35 MET HG3 H 1 1.882 . . 1 . . . . 35 MET HG3 . 17266 1 427 . 1 1 35 35 MET C C 13 172.055 . . 1 . . . . 35 MET C . 17266 1 428 . 1 1 35 35 MET CA C 13 53.356 . . 1 . . . . 35 MET CA . 17266 1 429 . 1 1 35 35 MET CB C 13 36.669 . . 1 . . . . 35 MET CB . 17266 1 430 . 1 1 35 35 MET CE C 13 16.593 . . 1 . . . . 35 MET CE . 17266 1 431 . 1 1 35 35 MET CG C 13 32.217 . . 1 . . . . 35 MET CG . 17266 1 432 . 1 1 35 35 MET N N 15 126.084 . . 1 . . . . 35 MET N . 17266 1 433 . 1 1 36 36 GLU H H 1 7.953 . . 1 . . . . 36 GLU HN . 17266 1 434 . 1 1 36 36 GLU HA H 1 4.840 . . 1 . . . . 36 GLU HA . 17266 1 435 . 1 1 36 36 GLU HB2 H 1 1.861 . . 1 . . . . 36 GLU HB2 . 17266 1 436 . 1 1 36 36 GLU HB3 H 1 1.632 . . 1 . . . . 36 GLU HB3 . 17266 1 437 . 1 1 36 36 GLU HG2 H 1 2.036 . . 2 . . . . 36 GLU HG2 . 17266 1 438 . 1 1 36 36 GLU HG3 H 1 1.916 . . 2 . . . . 36 GLU HG3 . 17266 1 439 . 1 1 36 36 GLU C C 13 174.101 . . 1 . . . . 36 GLU C . 17266 1 440 . 1 1 36 36 GLU CA C 13 55.012 . . 1 . . . . 36 GLU CA . 17266 1 441 . 1 1 36 36 GLU CB C 13 31.374 . . 1 . . . . 36 GLU CB . 17266 1 442 . 1 1 36 36 GLU CG C 13 36.523 . . 1 . . . . 36 GLU CG . 17266 1 443 . 1 1 36 36 GLU N N 15 123.947 . . 1 . . . . 36 GLU N . 17266 1 444 . 1 1 37 37 PHE H H 1 9.128 . . 1 . . . . 37 PHE HN . 17266 1 445 . 1 1 37 37 PHE HA H 1 4.633 . . 1 . . . . 37 PHE HA . 17266 1 446 . 1 1 37 37 PHE HB2 H 1 2.528 . . 1 . . . . 37 PHE HB2 . 17266 1 447 . 1 1 37 37 PHE HB3 H 1 2.630 . . 1 . . . . 37 PHE HB3 . 17266 1 448 . 1 1 37 37 PHE HD1 H 1 6.694 . . 3 . . . . 37 PHE HD1 . 17266 1 449 . 1 1 37 37 PHE HD2 H 1 6.694 . . 3 . . . . 37 PHE HD2 . 17266 1 450 . 1 1 37 37 PHE HE1 H 1 6.234 . . 3 . . . . 37 PHE HE1 . 17266 1 451 . 1 1 37 37 PHE HE2 H 1 6.234 . . 3 . . . . 37 PHE HE2 . 17266 1 452 . 1 1 37 37 PHE HZ H 1 6.830 . . 1 . . . . 37 PHE HZ . 17266 1 453 . 1 1 37 37 PHE C C 13 174.960 . . 1 . . . . 37 PHE C . 17266 1 454 . 1 1 37 37 PHE CA C 13 56.563 . . 1 . . . . 37 PHE CA . 17266 1 455 . 1 1 37 37 PHE CB C 13 42.853 . . 1 . . . . 37 PHE CB . 17266 1 456 . 1 1 37 37 PHE CD1 C 13 133.176 . . 3 . . . . 37 PHE CD1 . 17266 1 457 . 1 1 37 37 PHE CD2 C 13 133.178 . . 3 . . . . 37 PHE CD2 . 17266 1 458 . 1 1 37 37 PHE CE1 C 13 131.897 . . 3 . . . . 37 PHE CE1 . 17266 1 459 . 1 1 37 37 PHE CE2 C 13 131.897 . . 3 . . . . 37 PHE CE2 . 17266 1 460 . 1 1 37 37 PHE CZ C 13 130.187 . . 1 . . . . 37 PHE CZ . 17266 1 461 . 1 1 37 37 PHE N N 15 123.284 . . 1 . . . . 37 PHE N . 17266 1 462 . 1 1 38 38 ALA H H 1 8.853 . . 1 . . . . 38 ALA HN . 17266 1 463 . 1 1 38 38 ALA HA H 1 4.330 . . 1 . . . . 38 ALA HA . 17266 1 464 . 1 1 38 38 ALA HB1 H 1 1.646 . . 1 . . . . 38 ALA HB1 . 17266 1 465 . 1 1 38 38 ALA HB2 H 1 1.646 . . 1 . . . . 38 ALA HB1 . 17266 1 466 . 1 1 38 38 ALA HB3 H 1 1.646 . . 1 . . . . 38 ALA HB1 . 17266 1 467 . 1 1 38 38 ALA C C 13 176.568 . . 1 . . . . 38 ALA C . 17266 1 468 . 1 1 38 38 ALA CA C 13 52.508 . . 1 . . . . 38 ALA CA . 17266 1 469 . 1 1 38 38 ALA CB C 13 19.544 . . 1 . . . . 38 ALA CB . 17266 1 470 . 1 1 38 38 ALA N N 15 125.112 . . 1 . . . . 38 ALA N . 17266 1 471 . 1 1 39 39 ALA H H 1 7.997 . . 1 . . . . 39 ALA HN . 17266 1 472 . 1 1 39 39 ALA HA H 1 4.170 . . 1 . . . . 39 ALA HA . 17266 1 473 . 1 1 39 39 ALA HB1 H 1 1.152 . . 1 . . . . 39 ALA HB1 . 17266 1 474 . 1 1 39 39 ALA HB2 H 1 1.152 . . 1 . . . . 39 ALA HB1 . 17266 1 475 . 1 1 39 39 ALA HB3 H 1 1.152 . . 1 . . . . 39 ALA HB1 . 17266 1 476 . 1 1 39 39 ALA CA C 13 50.740 . . 1 . . . . 39 ALA CA . 17266 1 477 . 1 1 39 39 ALA CB C 13 17.200 . . 1 . . . . 39 ALA CB . 17266 1 478 . 1 1 39 39 ALA N N 15 122.169 . . 1 . . . . 39 ALA N . 17266 1 479 . 1 1 40 40 PRO HA H 1 4.247 . . 1 . . . . 40 PRO HA . 17266 1 480 . 1 1 40 40 PRO HB2 H 1 2.396 . . 2 . . . . 40 PRO HB2 . 17266 1 481 . 1 1 40 40 PRO HB3 H 1 1.946 . . 2 . . . . 40 PRO HB3 . 17266 1 482 . 1 1 40 40 PRO HD2 H 1 3.876 . . 2 . . . . 40 PRO HD2 . 17266 1 483 . 1 1 40 40 PRO HD3 H 1 3.876 . . 2 . . . . 40 PRO HD3 . 17266 1 484 . 1 1 40 40 PRO HG2 H 1 2.166 . . 2 . . . . 40 PRO HG2 . 17266 1 485 . 1 1 40 40 PRO HG3 H 1 2.081 . . 2 . . . . 40 PRO HG3 . 17266 1 486 . 1 1 40 40 PRO CA C 13 65.540 . . 1 . . . . 40 PRO CA . 17266 1 487 . 1 1 40 40 PRO CB C 13 31.957 . . 1 . . . . 40 PRO CB . 17266 1 488 . 1 1 40 40 PRO CD C 13 50.716 . . 1 . . . . 40 PRO CD . 17266 1 489 . 1 1 40 40 PRO CG C 13 27.607 . . 1 . . . . 40 PRO CG . 17266 1 490 . 1 1 41 41 PRO HA H 1 4.241 . . 1 . . . . 41 PRO HA . 17266 1 491 . 1 1 41 41 PRO HB2 H 1 1.939 . . 1 . . . . 41 PRO HB2 . 17266 1 492 . 1 1 41 41 PRO HB3 H 1 2.376 . . 2 . . . . 41 PRO HB3 . 17266 1 493 . 1 1 41 41 PRO HD2 H 1 3.878 . . 1 . . . . 41 PRO HD2 . 17266 1 494 . 1 1 41 41 PRO HD3 H 1 3.878 . . 1 . . . . 41 PRO HD3 . 17266 1 495 . 1 1 41 41 PRO HG2 H 1 2.152 . . 1 . . . . 41 PRO HG2 . 17266 1 496 . 1 1 41 41 PRO HG3 H 1 2.072 . . 1 . . . . 41 PRO HG3 . 17266 1 497 . 1 1 41 41 PRO C C 13 177.670 . . 1 . . . . 41 PRO C . 17266 1 498 . 1 1 41 41 PRO CA C 13 65.518 . . 1 . . . . 41 PRO CA . 17266 1 499 . 1 1 41 41 PRO CB C 13 31.747 . . 1 . . . . 41 PRO CB . 17266 1 500 . 1 1 41 41 PRO CD C 13 50.817 . . 1 . . . . 41 PRO CD . 17266 1 501 . 1 1 41 41 PRO CG C 13 27.609 . . 1 . . . . 41 PRO CG . 17266 1 502 . 1 1 42 42 ALA H H 1 8.001 . . 1 . . . . 42 ALA HN . 17266 1 503 . 1 1 42 42 ALA HA H 1 4.314 . . 1 . . . . 42 ALA HA . 17266 1 504 . 1 1 42 42 ALA HB1 H 1 1.381 . . 1 . . . . 42 ALA HB1 . 17266 1 505 . 1 1 42 42 ALA HB2 H 1 1.381 . . 1 . . . . 42 ALA HB1 . 17266 1 506 . 1 1 42 42 ALA HB3 H 1 1.381 . . 1 . . . . 42 ALA HB1 . 17266 1 507 . 1 1 42 42 ALA C C 13 177.696 . . 1 . . . . 42 ALA C . 17266 1 508 . 1 1 42 42 ALA CA C 13 52.672 . . 1 . . . . 42 ALA CA . 17266 1 509 . 1 1 42 42 ALA CB C 13 18.870 . . 1 . . . . 42 ALA CB . 17266 1 510 . 1 1 42 42 ALA N N 15 116.161 . . 1 . . . . 42 ALA N . 17266 1 511 . 1 1 43 43 GLY H H 1 7.995 . . 1 . . . . 43 GLY HN . 17266 1 512 . 1 1 43 43 GLY HA2 H 1 3.584 . . 1 . . . . 43 GLY HA2 . 17266 1 513 . 1 1 43 43 GLY HA3 H 1 4.411 . . 1 . . . . 43 GLY HA3 . 17266 1 514 . 1 1 43 43 GLY C C 13 173.104 . . 1 . . . . 43 GLY C . 17266 1 515 . 1 1 43 43 GLY CA C 13 43.498 . . 1 . . . . 43 GLY CA . 17266 1 516 . 1 1 43 43 GLY N N 15 106.546 . . 1 . . . . 43 GLY N . 17266 1 517 . 1 1 44 44 LEU H H 1 8.579 . . 1 . . . . 44 LEU HN . 17266 1 518 . 1 1 44 44 LEU HA H 1 4.367 . . 1 . . . . 44 LEU HA . 17266 1 519 . 1 1 44 44 LEU HB2 H 1 1.651 . . 1 . . . . 44 LEU HB2 . 17266 1 520 . 1 1 44 44 LEU HB3 H 1 1.340 . . 1 . . . . 44 LEU HB3 . 17266 1 521 . 1 1 44 44 LEU HD11 H 1 0.748 . . 2 . . . . 44 LEU HD11 . 17266 1 522 . 1 1 44 44 LEU HD12 H 1 0.748 . . 2 . . . . 44 LEU HD11 . 17266 1 523 . 1 1 44 44 LEU HD13 H 1 0.748 . . 2 . . . . 44 LEU HD11 . 17266 1 524 . 1 1 44 44 LEU HD21 H 1 0.853 . . 1 . . . . 44 LEU HD21 . 17266 1 525 . 1 1 44 44 LEU HD22 H 1 0.853 . . 1 . . . . 44 LEU HD21 . 17266 1 526 . 1 1 44 44 LEU HD23 H 1 0.853 . . 1 . . . . 44 LEU HD21 . 17266 1 527 . 1 1 44 44 LEU HG H 1 1.650 . . 1 . . . . 44 LEU HG . 17266 1 528 . 1 1 44 44 LEU CA C 13 52.588 . . 1 . . . . 44 LEU CA . 17266 1 529 . 1 1 44 44 LEU CB C 13 41.934 . . 1 . . . . 44 LEU CB . 17266 1 530 . 1 1 44 44 LEU CD1 C 13 24.226 . . 1 . . . . 44 LEU CD1 . 17266 1 531 . 1 1 44 44 LEU CD2 C 13 25.829 . . 1 . . . . 44 LEU CD2 . 17266 1 532 . 1 1 44 44 LEU CG C 13 27.000 . . 1 . . . . 44 LEU CG . 17266 1 533 . 1 1 44 44 LEU N N 15 119.953 . . 1 . . . . 44 LEU N . 17266 1 534 . 1 1 45 45 PRO HA H 1 4.459 . . 1 . . . . 45 PRO HA . 17266 1 535 . 1 1 45 45 PRO HB2 H 1 1.867 . . 1 . . . . 45 PRO HB2 . 17266 1 536 . 1 1 45 45 PRO HB3 H 1 2.385 . . 1 . . . . 45 PRO HB3 . 17266 1 537 . 1 1 45 45 PRO HD2 H 1 3.313 . . 1 . . . . 45 PRO HD2 . 17266 1 538 . 1 1 45 45 PRO HD3 H 1 3.810 . . 1 . . . . 45 PRO HD3 . 17266 1 539 . 1 1 45 45 PRO HG2 H 1 2.162 . . 1 . . . . 45 PRO HG2 . 17266 1 540 . 1 1 45 45 PRO HG3 H 1 2.023 . . 1 . . . . 45 PRO HG3 . 17266 1 541 . 1 1 45 45 PRO C C 13 176.150 . . 1 . . . . 45 PRO C . 17266 1 542 . 1 1 45 45 PRO CA C 13 62.717 . . 1 . . . . 45 PRO CA . 17266 1 543 . 1 1 45 45 PRO CB C 13 31.988 . . 1 . . . . 45 PRO CB . 17266 1 544 . 1 1 45 45 PRO CD C 13 50.141 . . 1 . . . . 45 PRO CD . 17266 1 545 . 1 1 45 45 PRO CG C 13 27.564 . . 1 . . . . 45 PRO CG . 17266 1 546 . 1 1 46 46 GLN H H 1 8.497 . . 1 . . . . 46 GLN HN . 17266 1 547 . 1 1 46 46 GLN HA H 1 4.172 . . 1 . . . . 46 GLN HA . 17266 1 548 . 1 1 46 46 GLN HB2 H 1 2.075 . . 1 . . . . 46 GLN HB2 . 17266 1 549 . 1 1 46 46 GLN HB3 H 1 1.976 . . 2 . . . . 46 GLN HB3 . 17266 1 550 . 1 1 46 46 GLN HE21 H 1 7.556 . . 2 . . . . 46 GLN HE21 . 17266 1 551 . 1 1 46 46 GLN HE22 H 1 6.890 . . 1 . . . . 46 GLN HE22 . 17266 1 552 . 1 1 46 46 GLN HG2 H 1 2.437 . . 1 . . . . 46 GLN HG2 . 17266 1 553 . 1 1 46 46 GLN HG3 H 1 2.437 . . 1 . . . . 46 GLN HG3 . 17266 1 554 . 1 1 46 46 GLN C C 13 177.414 . . 1 . . . . 46 GLN C . 17266 1 555 . 1 1 46 46 GLN CA C 13 56.520 . . 1 . . . . 46 GLN CA . 17266 1 556 . 1 1 46 46 GLN CB C 13 29.286 . . 1 . . . . 46 GLN CB . 17266 1 557 . 1 1 46 46 GLN CG C 13 34.157 . . 1 . . . . 46 GLN CG . 17266 1 558 . 1 1 46 46 GLN N N 15 120.391 . . 1 . . . . 46 GLN N . 17266 1 559 . 1 1 46 46 GLN NE2 N 15 112.727 . . 1 . . . . 46 GLN NE2 . 17266 1 560 . 1 1 47 47 GLY H H 1 8.703 . . 1 . . . . 47 GLY HN . 17266 1 561 . 1 1 47 47 GLY HA2 H 1 3.698 . . 1 . . . . 47 GLY HA2 . 17266 1 562 . 1 1 47 47 GLY HA3 H 1 4.097 . . 1 . . . . 47 GLY HA3 . 17266 1 563 . 1 1 47 47 GLY C C 13 174.531 . . 1 . . . . 47 GLY C . 17266 1 564 . 1 1 47 47 GLY CA C 13 45.631 . . 1 . . . . 47 GLY CA . 17266 1 565 . 1 1 47 47 GLY N N 15 109.143 . . 1 . . . . 47 GLY N . 17266 1 566 . 1 1 48 48 LEU H H 1 7.351 . . 1 . . . . 48 LEU HN . 17266 1 567 . 1 1 48 48 LEU HA H 1 4.359 . . 1 . . . . 48 LEU HA . 17266 1 568 . 1 1 48 48 LEU HB2 H 1 1.724 . . 2 . . . . 48 LEU HB2 . 17266 1 569 . 1 1 48 48 LEU HB3 H 1 1.099 . . 2 . . . . 48 LEU HB3 . 17266 1 570 . 1 1 48 48 LEU HD11 H 1 0.707 . . 1 . . . . 48 LEU HD11 . 17266 1 571 . 1 1 48 48 LEU HD12 H 1 0.707 . . 1 . . . . 48 LEU HD11 . 17266 1 572 . 1 1 48 48 LEU HD13 H 1 0.707 . . 1 . . . . 48 LEU HD11 . 17266 1 573 . 1 1 48 48 LEU HD21 H 1 0.780 . . 2 . . . . 48 LEU HD21 . 17266 1 574 . 1 1 48 48 LEU HD22 H 1 0.780 . . 2 . . . . 48 LEU HD21 . 17266 1 575 . 1 1 48 48 LEU HD23 H 1 0.780 . . 2 . . . . 48 LEU HD21 . 17266 1 576 . 1 1 48 48 LEU HG H 1 1.586 . . 1 . . . . 48 LEU HG . 17266 1 577 . 1 1 48 48 LEU C C 13 176.051 . . 1 . . . . 48 LEU C . 17266 1 578 . 1 1 48 48 LEU CA C 13 54.954 . . 1 . . . . 48 LEU CA . 17266 1 579 . 1 1 48 48 LEU CB C 13 42.885 . . 1 . . . . 48 LEU CB . 17266 1 580 . 1 1 48 48 LEU CD1 C 13 23.046 . . 1 . . . . 48 LEU CD1 . 17266 1 581 . 1 1 48 48 LEU CD2 C 13 26.539 . . 1 . . . . 48 LEU CD2 . 17266 1 582 . 1 1 48 48 LEU CG C 13 26.421 . . 1 . . . . 48 LEU CG . 17266 1 583 . 1 1 48 48 LEU N N 15 119.647 . . 1 . . . . 48 LEU N . 17266 1 584 . 1 1 49 49 LYS H H 1 8.672 . . 1 . . . . 49 LYS HN . 17266 1 585 . 1 1 49 49 LYS HA H 1 4.514 . . 1 . . . . 49 LYS HA . 17266 1 586 . 1 1 49 49 LYS HB2 H 1 1.719 . . 1 . . . . 49 LYS HB2 . 17266 1 587 . 1 1 49 49 LYS HB3 H 1 1.671 . . 1 . . . . 49 LYS HB3 . 17266 1 588 . 1 1 49 49 LYS HD2 H 1 1.647 . . 1 . . . . 49 LYS HD2 . 17266 1 589 . 1 1 49 49 LYS HD3 H 1 1.644 . . 1 . . . . 49 LYS HD3 . 17266 1 590 . 1 1 49 49 LYS HE2 H 1 3.006 . . 1 . . . . 49 LYS HE2 . 17266 1 591 . 1 1 49 49 LYS HE3 H 1 3.006 . . 2 . . . . 49 LYS HE3 . 17266 1 592 . 1 1 49 49 LYS HG2 H 1 1.456 . . 1 . . . . 49 LYS HG2 . 17266 1 593 . 1 1 49 49 LYS HG3 H 1 1.268 . . 1 . . . . 49 LYS HG3 . 17266 1 594 . 1 1 49 49 LYS C C 13 175.264 . . 1 . . . . 49 LYS C . 17266 1 595 . 1 1 49 49 LYS CA C 13 54.517 . . 1 . . . . 49 LYS CA . 17266 1 596 . 1 1 49 49 LYS CB C 13 36.017 . . 1 . . . . 49 LYS CB . 17266 1 597 . 1 1 49 49 LYS CD C 13 29.059 . . 1 . . . . 49 LYS CD . 17266 1 598 . 1 1 49 49 LYS CE C 13 41.986 . . 1 . . . . 49 LYS CE . 17266 1 599 . 1 1 49 49 LYS CG C 13 23.528 . . 1 . . . . 49 LYS CG . 17266 1 600 . 1 1 49 49 LYS N N 15 121.086 . . 1 . . . . 49 LYS N . 17266 1 601 . 1 1 50 50 ALA H H 1 8.589 . . 1 . . . . 50 ALA HN . 17266 1 602 . 1 1 50 50 ALA HA H 1 3.601 . . 1 . . . . 50 ALA HA . 17266 1 603 . 1 1 50 50 ALA HB1 H 1 1.251 . . 1 . . . . 50 ALA HB1 . 17266 1 604 . 1 1 50 50 ALA HB2 H 1 1.251 . . 1 . . . . 50 ALA HB1 . 17266 1 605 . 1 1 50 50 ALA HB3 H 1 1.251 . . 1 . . . . 50 ALA HB1 . 17266 1 606 . 1 1 50 50 ALA C C 13 177.957 . . 1 . . . . 50 ALA C . 17266 1 607 . 1 1 50 50 ALA CA C 13 53.838 . . 1 . . . . 50 ALA CA . 17266 1 608 . 1 1 50 50 ALA CB C 13 17.520 . . 1 . . . . 50 ALA CB . 17266 1 609 . 1 1 50 50 ALA N N 15 122.795 . . 1 . . . . 50 ALA N . 17266 1 610 . 1 1 51 51 GLY H H 1 9.106 . . 1 . . . . 51 GLY HN . 17266 1 611 . 1 1 51 51 GLY HA2 H 1 3.571 . . 1 . . . . 51 GLY HA2 . 17266 1 612 . 1 1 51 51 GLY HA3 H 1 4.467 . . 1 . . . . 51 GLY HA3 . 17266 1 613 . 1 1 51 51 GLY C C 13 174.637 . . 1 . . . . 51 GLY C . 17266 1 614 . 1 1 51 51 GLY CA C 13 44.768 . . 1 . . . . 51 GLY CA . 17266 1 615 . 1 1 51 51 GLY N N 15 112.752 . . 1 . . . . 51 GLY N . 17266 1 616 . 1 1 52 52 ASP H H 1 7.975 . . 1 . . . . 52 ASP HN . 17266 1 617 . 1 1 52 52 ASP HA H 1 4.551 . . 1 . . . . 52 ASP HA . 17266 1 618 . 1 1 52 52 ASP HB2 H 1 2.767 . . 1 . . . . 52 ASP HB2 . 17266 1 619 . 1 1 52 52 ASP HB3 H 1 2.420 . . 1 . . . . 52 ASP HB3 . 17266 1 620 . 1 1 52 52 ASP C C 13 176.276 . . 1 . . . . 52 ASP C . 17266 1 621 . 1 1 52 52 ASP CA C 13 55.811 . . 1 . . . . 52 ASP CA . 17266 1 622 . 1 1 52 52 ASP CB C 13 40.841 . . 1 . . . . 52 ASP CB . 17266 1 623 . 1 1 52 52 ASP N N 15 121.581 . . 1 . . . . 52 ASP N . 17266 1 624 . 1 1 53 53 ARG H H 1 8.735 . . 1 . . . . 53 ARG HN . 17266 1 625 . 1 1 53 53 ARG HA H 1 5.032 . . 1 . . . . 53 ARG HA . 17266 1 626 . 1 1 53 53 ARG HB2 H 1 1.993 . . 1 . . . . 53 ARG HB2 . 17266 1 627 . 1 1 53 53 ARG HB3 H 1 1.765 . . 1 . . . . 53 ARG HB3 . 17266 1 628 . 1 1 53 53 ARG HD2 H 1 3.205 . . 1 . . . . 53 ARG HD2 . 17266 1 629 . 1 1 53 53 ARG HD3 H 1 3.205 . . 2 . . . . 53 ARG HD3 . 17266 1 630 . 1 1 53 53 ARG HE H 1 8.710 . . 1 . . . . 53 ARG HE . 17266 1 631 . 1 1 53 53 ARG HG2 H 1 1.760 . . 1 . . . . 53 ARG HG2 . 17266 1 632 . 1 1 53 53 ARG HG3 H 1 1.534 . . 1 . . . . 53 ARG HG3 . 17266 1 633 . 1 1 53 53 ARG C C 13 176.809 . . 1 . . . . 53 ARG C . 17266 1 634 . 1 1 53 53 ARG CA C 13 55.627 . . 1 . . . . 53 ARG CA . 17266 1 635 . 1 1 53 53 ARG CB C 13 30.550 . . 1 . . . . 53 ARG CB . 17266 1 636 . 1 1 53 53 ARG CD C 13 43.507 . . 1 . . . . 53 ARG CD . 17266 1 637 . 1 1 53 53 ARG CG C 13 28.242 . . 1 . . . . 53 ARG CG . 17266 1 638 . 1 1 53 53 ARG N N 15 122.765 . . 1 . . . . 53 ARG N . 17266 1 639 . 1 1 53 53 ARG NE N 15 92.454 . . 1 . . . . 53 ARG NE . 17266 1 640 . 1 1 54 54 VAL H H 1 9.279 . . 1 . . . . 54 VAL HN . 17266 1 641 . 1 1 54 54 VAL HA H 1 5.157 . . 1 . . . . 54 VAL HA . 17266 1 642 . 1 1 54 54 VAL HB H 1 2.013 . . 1 . . . . 54 VAL HB . 17266 1 643 . 1 1 54 54 VAL HG11 H 1 0.559 . . 1 . . . . 54 VAL HG11 . 17266 1 644 . 1 1 54 54 VAL HG12 H 1 0.559 . . 1 . . . . 54 VAL HG11 . 17266 1 645 . 1 1 54 54 VAL HG13 H 1 0.559 . . 1 . . . . 54 VAL HG11 . 17266 1 646 . 1 1 54 54 VAL HG21 H 1 0.661 . . 1 . . . . 54 VAL HG21 . 17266 1 647 . 1 1 54 54 VAL HG22 H 1 0.661 . . 1 . . . . 54 VAL HG21 . 17266 1 648 . 1 1 54 54 VAL HG23 H 1 0.661 . . 1 . . . . 54 VAL HG21 . 17266 1 649 . 1 1 54 54 VAL C C 13 174.056 . . 1 . . . . 54 VAL C . 17266 1 650 . 1 1 54 54 VAL CA C 13 58.721 . . 1 . . . . 54 VAL CA . 17266 1 651 . 1 1 54 54 VAL CB C 13 35.963 . . 1 . . . . 54 VAL CB . 17266 1 652 . 1 1 54 54 VAL CG1 C 13 17.551 . . 1 . . . . 54 VAL CG1 . 17266 1 653 . 1 1 54 54 VAL CG2 C 13 22.684 . . 1 . . . . 54 VAL CG2 . 17266 1 654 . 1 1 54 54 VAL N N 15 116.753 . . 1 . . . . 54 VAL N . 17266 1 655 . 1 1 55 55 ALA H H 1 8.829 . . 1 . . . . 55 ALA HN . 17266 1 656 . 1 1 55 55 ALA HA H 1 5.244 . . 1 . . . . 55 ALA HA . 17266 1 657 . 1 1 55 55 ALA HB1 H 1 1.406 . . 1 . . . . 55 ALA HB1 . 17266 1 658 . 1 1 55 55 ALA HB2 H 1 1.406 . . 1 . . . . 55 ALA HB1 . 17266 1 659 . 1 1 55 55 ALA HB3 H 1 1.406 . . 1 . . . . 55 ALA HB1 . 17266 1 660 . 1 1 55 55 ALA C C 13 176.904 . . 1 . . . . 55 ALA C . 17266 1 661 . 1 1 55 55 ALA CA C 13 50.835 . . 1 . . . . 55 ALA CA . 17266 1 662 . 1 1 55 55 ALA CB C 13 20.601 . . 1 . . . . 55 ALA CB . 17266 1 663 . 1 1 55 55 ALA N N 15 124.266 . . 1 . . . . 55 ALA N . 17266 1 664 . 1 1 56 56 PHE H H 1 9.060 . . 1 . . . . 56 PHE HN . 17266 1 665 . 1 1 56 56 PHE HA H 1 5.351 . . 1 . . . . 56 PHE HA . 17266 1 666 . 1 1 56 56 PHE HB2 H 1 3.241 . . 1 . . . . 56 PHE HB2 . 17266 1 667 . 1 1 56 56 PHE HB3 H 1 2.765 . . 1 . . . . 56 PHE HB3 . 17266 1 668 . 1 1 56 56 PHE HD1 H 1 6.596 . . 3 . . . . 56 PHE HD1 . 17266 1 669 . 1 1 56 56 PHE HD2 H 1 6.596 . . 3 . . . . 56 PHE HD2 . 17266 1 670 . 1 1 56 56 PHE HE1 H 1 6.224 . . 3 . . . . 56 PHE HE1 . 17266 1 671 . 1 1 56 56 PHE HE2 H 1 6.224 . . 3 . . . . 56 PHE HE2 . 17266 1 672 . 1 1 56 56 PHE HZ H 1 6.468 . . 1 . . . . 56 PHE HZ . 17266 1 673 . 1 1 56 56 PHE C C 13 171.460 . . 1 . . . . 56 PHE C . 17266 1 674 . 1 1 56 56 PHE CA C 13 55.359 . . 1 . . . . 56 PHE CA . 17266 1 675 . 1 1 56 56 PHE CB C 13 41.657 . . 1 . . . . 56 PHE CB . 17266 1 676 . 1 1 56 56 PHE CD1 C 13 133.054 . . 3 . . . . 56 PHE CD1 . 17266 1 677 . 1 1 56 56 PHE CD2 C 13 133.054 . . 3 . . . . 56 PHE CD2 . 17266 1 678 . 1 1 56 56 PHE CE1 C 13 131.771 . . 3 . . . . 56 PHE CE1 . 17266 1 679 . 1 1 56 56 PHE CE2 C 13 131.771 . . 3 . . . . 56 PHE CE2 . 17266 1 680 . 1 1 56 56 PHE CZ C 13 129.938 . . 1 . . . . 56 PHE CZ . 17266 1 681 . 1 1 56 56 PHE N N 15 120.596 . . 1 . . . . 56 PHE N . 17266 1 682 . 1 1 57 57 SER H H 1 8.957 . . 1 . . . . 57 SER HN . 17266 1 683 . 1 1 57 57 SER HA H 1 5.831 . . 1 . . . . 57 SER HA . 17266 1 684 . 1 1 57 57 SER HB2 H 1 3.765 . . 2 . . . . 57 SER HB2 . 17266 1 685 . 1 1 57 57 SER HB3 H 1 3.648 . . 2 . . . . 57 SER HB3 . 17266 1 686 . 1 1 57 57 SER C C 13 174.737 . . 1 . . . . 57 SER C . 17266 1 687 . 1 1 57 57 SER CA C 13 55.638 . . 1 . . . . 57 SER CA . 17266 1 688 . 1 1 57 57 SER CB C 13 67.285 . . 1 . . . . 57 SER CB . 17266 1 689 . 1 1 57 57 SER N N 15 114.097 . . 1 . . . . 57 SER N . 17266 1 690 . 1 1 58 58 PHE H H 1 9.046 . . 1 . . . . 58 PHE HN . 17266 1 691 . 1 1 58 58 PHE HA H 1 5.683 . . 1 . . . . 58 PHE HA . 17266 1 692 . 1 1 58 58 PHE HB2 H 1 3.121 . . 2 . . . . 58 PHE HB2 . 17266 1 693 . 1 1 58 58 PHE HB3 H 1 3.034 . . 2 . . . . 58 PHE HB3 . 17266 1 694 . 1 1 58 58 PHE HD1 H 1 6.832 . . 3 . . . . 58 PHE HD1 . 17266 1 695 . 1 1 58 58 PHE HD2 H 1 6.832 . . 3 . . . . 58 PHE HD2 . 17266 1 696 . 1 1 58 58 PHE HE1 H 1 6.634 . . 3 . . . . 58 PHE HE1 . 17266 1 697 . 1 1 58 58 PHE HE2 H 1 6.634 . . 3 . . . . 58 PHE HE2 . 17266 1 698 . 1 1 58 58 PHE HZ H 1 6.314 . . 1 . . . . 58 PHE HZ . 17266 1 699 . 1 1 58 58 PHE C C 13 171.287 . . 1 . . . . 58 PHE C . 17266 1 700 . 1 1 58 58 PHE CA C 13 56.363 . . 1 . . . . 58 PHE CA . 17266 1 701 . 1 1 58 58 PHE CB C 13 42.651 . . 1 . . . . 58 PHE CB . 17266 1 702 . 1 1 58 58 PHE CD1 C 13 133.548 . . 3 . . . . 58 PHE CD1 . 17266 1 703 . 1 1 58 58 PHE CD2 C 13 133.548 . . 3 . . . . 58 PHE CD2 . 17266 1 704 . 1 1 58 58 PHE CE1 C 13 131.995 . . 3 . . . . 58 PHE CE1 . 17266 1 705 . 1 1 58 58 PHE CE2 C 13 131.995 . . 3 . . . . 58 PHE CE2 . 17266 1 706 . 1 1 58 58 PHE N N 15 117.762 . . 1 . . . . 58 PHE N . 17266 1 707 . 1 1 59 59 ARG H H 1 9.016 . . 1 . . . . 59 ARG HN . 17266 1 708 . 1 1 59 59 ARG HA H 1 4.885 . . 1 . . . . 59 ARG HA . 17266 1 709 . 1 1 59 59 ARG HB2 H 1 1.749 . . 2 . . . . 59 ARG HB2 . 17266 1 710 . 1 1 59 59 ARG HB3 H 1 1.648 . . 2 . . . . 59 ARG HB3 . 17266 1 711 . 1 1 59 59 ARG HD2 H 1 3.130 . . 2 . . . . 59 ARG HD2 . 17266 1 712 . 1 1 59 59 ARG HD3 H 1 3.130 . . 2 . . . . 59 ARG HD3 . 17266 1 713 . 1 1 59 59 ARG HG2 H 1 1.452 . . 1 . . . . 59 ARG HG2 . 17266 1 714 . 1 1 59 59 ARG HG3 H 1 1.452 . . 2 . . . . 59 ARG HG3 . 17266 1 715 . 1 1 59 59 ARG C C 13 175.164 . . 1 . . . . 59 ARG C . 17266 1 716 . 1 1 59 59 ARG CA C 13 53.977 . . 1 . . . . 59 ARG CA . 17266 1 717 . 1 1 59 59 ARG CB C 13 34.522 . . 1 . . . . 59 ARG CB . 17266 1 718 . 1 1 59 59 ARG CD C 13 43.432 . . 1 . . . . 59 ARG CD . 17266 1 719 . 1 1 59 59 ARG CG C 13 28.114 . . 1 . . . . 59 ARG CG . 17266 1 720 . 1 1 59 59 ARG N N 15 117.633 . . 1 . . . . 59 ARG N . 17266 1 721 . 1 1 60 60 LEU H H 1 9.054 . . 1 . . . . 60 LEU HN . 17266 1 722 . 1 1 60 60 LEU HA H 1 5.158 . . 1 . . . . 60 LEU HA . 17266 1 723 . 1 1 60 60 LEU HB2 H 1 1.574 . . 1 . . . . 60 LEU HB2 . 17266 1 724 . 1 1 60 60 LEU HB3 H 1 1.715 . . 1 . . . . 60 LEU HB3 . 17266 1 725 . 1 1 60 60 LEU HD11 H 1 1.006 . . 1 . . . . 60 LEU HD11 . 17266 1 726 . 1 1 60 60 LEU HD12 H 1 1.006 . . 1 . . . . 60 LEU HD11 . 17266 1 727 . 1 1 60 60 LEU HD13 H 1 1.006 . . 1 . . . . 60 LEU HD11 . 17266 1 728 . 1 1 60 60 LEU HD21 H 1 0.906 . . 1 . . . . 60 LEU HD21 . 17266 1 729 . 1 1 60 60 LEU HD22 H 1 0.906 . . 1 . . . . 60 LEU HD21 . 17266 1 730 . 1 1 60 60 LEU HD23 H 1 0.906 . . 1 . . . . 60 LEU HD21 . 17266 1 731 . 1 1 60 60 LEU HG H 1 1.653 . . 1 . . . . 60 LEU HG . 17266 1 732 . 1 1 60 60 LEU C C 13 176.512 . . 1 . . . . 60 LEU C . 17266 1 733 . 1 1 60 60 LEU CA C 13 53.968 . . 1 . . . . 60 LEU CA . 17266 1 734 . 1 1 60 60 LEU CB C 13 44.145 . . 1 . . . . 60 LEU CB . 17266 1 735 . 1 1 60 60 LEU CD1 C 13 24.099 . . 1 . . . . 60 LEU CD1 . 17266 1 736 . 1 1 60 60 LEU CD2 C 13 24.866 . . 1 . . . . 60 LEU CD2 . 17266 1 737 . 1 1 60 60 LEU CG C 13 27.492 . . 1 . . . . 60 LEU CG . 17266 1 738 . 1 1 60 60 LEU N N 15 122.949 . . 1 . . . . 60 LEU N . 17266 1 739 . 1 1 61 61 ASP H H 1 8.542 . . 1 . . . . 61 ASP HN . 17266 1 740 . 1 1 61 61 ASP HA H 1 4.953 . . 1 . . . . 61 ASP HA . 17266 1 741 . 1 1 61 61 ASP HB2 H 1 3.179 . . 1 . . . . 61 ASP HB2 . 17266 1 742 . 1 1 61 61 ASP HB3 H 1 2.844 . . 1 . . . . 61 ASP HB3 . 17266 1 743 . 1 1 61 61 ASP CA C 13 52.372 . . 1 . . . . 61 ASP CA . 17266 1 744 . 1 1 61 61 ASP CB C 13 41.237 . . 1 . . . . 61 ASP CB . 17266 1 745 . 1 1 61 61 ASP N N 15 125.799 . . 1 . . . . 61 ASP N . 17266 1 746 . 1 1 62 62 PRO HA H 1 4.344 . . 1 . . . . 62 PRO HA . 17266 1 747 . 1 1 62 62 PRO HB2 H 1 2.324 . . 1 . . . . 62 PRO HB2 . 17266 1 748 . 1 1 62 62 PRO HB3 H 1 1.393 . . 1 . . . . 62 PRO HB3 . 17266 1 749 . 1 1 62 62 PRO HD2 H 1 3.594 . . 1 . . . . 62 PRO HD2 . 17266 1 750 . 1 1 62 62 PRO HD3 H 1 3.883 . . 1 . . . . 62 PRO HD3 . 17266 1 751 . 1 1 62 62 PRO HG2 H 1 1.951 . . 1 . . . . 62 PRO HG2 . 17266 1 752 . 1 1 62 62 PRO HG3 H 1 1.951 . . 1 . . . . 62 PRO HG3 . 17266 1 753 . 1 1 62 62 PRO C C 13 177.038 . . 1 . . . . 62 PRO C . 17266 1 754 . 1 1 62 62 PRO CA C 13 64.898 . . 1 . . . . 62 PRO CA . 17266 1 755 . 1 1 62 62 PRO CB C 13 32.106 . . 1 . . . . 62 PRO CB . 17266 1 756 . 1 1 62 62 PRO CD C 13 51.529 . . 1 . . . . 62 PRO CD . 17266 1 757 . 1 1 62 62 PRO CG C 13 27.839 . . 1 . . . . 62 PRO CG . 17266 1 758 . 1 1 63 63 HIS H H 1 8.371 . . 1 . . . . 63 HIS HN . 17266 1 759 . 1 1 63 63 HIS HA H 1 4.770 . . 1 . . . . 63 HIS HA . 17266 1 760 . 1 1 63 63 HIS HB2 H 1 3.479 . . 2 . . . . 63 HIS HB2 . 17266 1 761 . 1 1 63 63 HIS HB3 H 1 3.240 . . 2 . . . . 63 HIS HB3 . 17266 1 762 . 1 1 63 63 HIS HD2 H 1 7.211 . . 1 . . . . 63 HIS HD2 . 17266 1 763 . 1 1 63 63 HIS HE1 H 1 8.404 . . 1 . . . . 63 HIS HE1 . 17266 1 764 . 1 1 63 63 HIS C C 13 175.016 . . 1 . . . . 63 HIS C . 17266 1 765 . 1 1 63 63 HIS CA C 13 54.999 . . 1 . . . . 63 HIS CA . 17266 1 766 . 1 1 63 63 HIS CB C 13 29.067 . . 1 . . . . 63 HIS CB . 17266 1 767 . 1 1 63 63 HIS CD2 C 13 120.892 . . 1 . . . . 63 HIS CD2 . 17266 1 768 . 1 1 63 63 HIS CE1 C 13 137.920 . . 1 . . . . 63 HIS CE1 . 17266 1 769 . 1 1 63 63 HIS N N 15 114.217 . . 1 . . . . 63 HIS N . 17266 1 770 . 1 1 63 63 HIS ND1 N 15 187.364 . . 1 . . . . 63 HIS ND1 . 17266 1 771 . 1 1 63 63 HIS NE2 N 15 176.179 . . 1 . . . . 63 HIS NE2 . 17266 1 772 . 1 1 64 64 GLY H H 1 8.330 . . 1 . . . . 64 GLY HN . 17266 1 773 . 1 1 64 64 GLY HA2 H 1 4.242 . . 1 . . . . 64 GLY HA2 . 17266 1 774 . 1 1 64 64 GLY HA3 H 1 3.797 . . 1 . . . . 64 GLY HA3 . 17266 1 775 . 1 1 64 64 GLY C C 13 174.501 . . 1 . . . . 64 GLY C . 17266 1 776 . 1 1 64 64 GLY CA C 13 45.800 . . 1 . . . . 64 GLY CA . 17266 1 777 . 1 1 64 64 GLY N N 15 108.432 . . 1 . . . . 64 GLY N . 17266 1 778 . 1 1 65 65 MET H H 1 8.311 . . 1 . . . . 65 MET HN . 17266 1 779 . 1 1 65 65 MET HA H 1 4.508 . . 1 . . . . 65 MET HA . 17266 1 780 . 1 1 65 65 MET HB2 H 1 2.078 . . 1 . . . . 65 MET HB2 . 17266 1 781 . 1 1 65 65 MET HB3 H 1 2.078 . . 1 . . . . 65 MET HB3 . 17266 1 782 . 1 1 65 65 MET HE1 H 1 2.030 . . 1 . . . . 65 MET HE1 . 17266 1 783 . 1 1 65 65 MET HE2 H 1 2.030 . . 1 . . . . 65 MET HE1 . 17266 1 784 . 1 1 65 65 MET HE3 H 1 2.030 . . 1 . . . . 65 MET HE1 . 17266 1 785 . 1 1 65 65 MET HG2 H 1 2.565 . . 2 . . . . 65 MET HG2 . 17266 1 786 . 1 1 65 65 MET HG3 H 1 2.484 . . 1 . . . . 65 MET HG3 . 17266 1 787 . 1 1 65 65 MET C C 13 176.321 . . 1 . . . . 65 MET C . 17266 1 788 . 1 1 65 65 MET CA C 13 55.081 . . 1 . . . . 65 MET CA . 17266 1 789 . 1 1 65 65 MET CB C 13 32.769 . . 1 . . . . 65 MET CB . 17266 1 790 . 1 1 65 65 MET CE C 13 17.074 . . 1 . . . . 65 MET CE . 17266 1 791 . 1 1 65 65 MET CG C 13 32.096 . . 1 . . . . 65 MET CG . 17266 1 792 . 1 1 65 65 MET N N 15 120.813 . . 1 . . . . 65 MET N . 17266 1 793 . 1 1 66 66 ALA H H 1 9.066 . . 1 . . . . 66 ALA HN . 17266 1 794 . 1 1 66 66 ALA HA H 1 5.349 . . 1 . . . . 66 ALA HA . 17266 1 795 . 1 1 66 66 ALA HB1 H 1 1.380 . . 1 . . . . 66 ALA HB1 . 17266 1 796 . 1 1 66 66 ALA HB2 H 1 1.380 . . 1 . . . . 66 ALA HB1 . 17266 1 797 . 1 1 66 66 ALA HB3 H 1 1.380 . . 1 . . . . 66 ALA HB1 . 17266 1 798 . 1 1 66 66 ALA C C 13 177.029 . . 1 . . . . 66 ALA C . 17266 1 799 . 1 1 66 66 ALA CA C 13 51.887 . . 1 . . . . 66 ALA CA . 17266 1 800 . 1 1 66 66 ALA CB C 13 22.369 . . 1 . . . . 66 ALA CB . 17266 1 801 . 1 1 66 66 ALA N N 15 130.271 . . 1 . . . . 66 ALA N . 17266 1 802 . 1 1 67 67 THR H H 1 9.166 . . 1 . . . . 67 THR HN . 17266 1 803 . 1 1 67 67 THR HA H 1 4.746 . . 1 . . . . 67 THR HA . 17266 1 804 . 1 1 67 67 THR HB H 1 3.949 . . 1 . . . . 67 THR HB . 17266 1 805 . 1 1 67 67 THR HG21 H 1 1.285 . . 1 . . . . 67 THR HG21 . 17266 1 806 . 1 1 67 67 THR HG22 H 1 1.285 . . 1 . . . . 67 THR HG21 . 17266 1 807 . 1 1 67 67 THR HG23 H 1 1.285 . . 1 . . . . 67 THR HG21 . 17266 1 808 . 1 1 67 67 THR C C 13 174.141 . . 1 . . . . 67 THR C . 17266 1 809 . 1 1 67 67 THR CA C 13 62.551 . . 1 . . . . 67 THR CA . 17266 1 810 . 1 1 67 67 THR CB C 13 71.156 . . 1 . . . . 67 THR CB . 17266 1 811 . 1 1 67 67 THR CG2 C 13 20.879 . . 1 . . . . 67 THR CG2 . 17266 1 812 . 1 1 67 67 THR N N 15 119.732 . . 1 . . . . 67 THR N . 17266 1 813 . 1 1 68 68 LEU H H 1 9.328 . . 1 . . . . 68 LEU HN . 17266 1 814 . 1 1 68 68 LEU HA H 1 4.533 . . 1 . . . . 68 LEU HA . 17266 1 815 . 1 1 68 68 LEU HB2 H 1 1.785 . . 1 . . . . 68 LEU HB2 . 17266 1 816 . 1 1 68 68 LEU HB3 H 1 1.201 . . 1 . . . . 68 LEU HB3 . 17266 1 817 . 1 1 68 68 LEU HD11 H 1 0.598 . . 1 . . . . 68 LEU HD11 . 17266 1 818 . 1 1 68 68 LEU HD12 H 1 0.598 . . 1 . . . . 68 LEU HD11 . 17266 1 819 . 1 1 68 68 LEU HD13 H 1 0.598 . . 1 . . . . 68 LEU HD11 . 17266 1 820 . 1 1 68 68 LEU HD21 H 1 0.619 . . 2 . . . . 68 LEU HD21 . 17266 1 821 . 1 1 68 68 LEU HD22 H 1 0.619 . . 2 . . . . 68 LEU HD21 . 17266 1 822 . 1 1 68 68 LEU HD23 H 1 0.619 . . 2 . . . . 68 LEU HD21 . 17266 1 823 . 1 1 68 68 LEU C C 13 175.423 . . 1 . . . . 68 LEU C . 17266 1 824 . 1 1 68 68 LEU CA C 13 56.337 . . 1 . . . . 68 LEU CA . 17266 1 825 . 1 1 68 68 LEU CB C 13 43.354 . . 1 . . . . 68 LEU CB . 17266 1 826 . 1 1 68 68 LEU CD1 C 13 24.264 . . 1 . . . . 68 LEU CD1 . 17266 1 827 . 1 1 68 68 LEU CD2 C 13 26.334 . . 1 . . . . 68 LEU CD2 . 17266 1 828 . 1 1 68 68 LEU CG C 13 26.334 . . 1 . . . . 68 LEU CG . 17266 1 829 . 1 1 68 68 LEU N N 15 126.607 . . 1 . . . . 68 LEU N . 17266 1 830 . 1 1 69 69 VAL H H 1 9.019 . . 1 . . . . 69 VAL HN . 17266 1 831 . 1 1 69 69 VAL HA H 1 4.096 . . 1 . . . . 69 VAL HA . 17266 1 832 . 1 1 69 69 VAL HB H 1 1.985 . . 1 . . . . 69 VAL HB . 17266 1 833 . 1 1 69 69 VAL HG11 H 1 0.893 . . 1 . . . . 69 VAL HG11 . 17266 1 834 . 1 1 69 69 VAL HG12 H 1 0.893 . . 1 . . . . 69 VAL HG11 . 17266 1 835 . 1 1 69 69 VAL HG13 H 1 0.893 . . 1 . . . . 69 VAL HG11 . 17266 1 836 . 1 1 69 69 VAL C C 13 176.415 . . 1 . . . . 69 VAL C . 17266 1 837 . 1 1 69 69 VAL CA C 13 64.455 . . 1 . . . . 69 VAL CA . 17266 1 838 . 1 1 69 69 VAL CB C 13 32.659 . . 1 . . . . 69 VAL CB . 17266 1 839 . 1 1 69 69 VAL CG1 C 13 21.299 . . 1 . . . . 69 VAL CG1 . 17266 1 840 . 1 1 69 69 VAL CG2 C 13 21.299 . . 1 . . . . 69 VAL CG2 . 17266 1 841 . 1 1 69 69 VAL N N 15 121.437 . . 1 . . . . 69 VAL N . 17266 1 842 . 1 1 70 70 THR H H 1 7.389 . . 1 . . . . 70 THR HN . 17266 1 843 . 1 1 70 70 THR HA H 1 4.770 . . 1 . . . . 70 THR HA . 17266 1 844 . 1 1 70 70 THR HB H 1 4.119 . . 1 . . . . 70 THR HB . 17266 1 845 . 1 1 70 70 THR HG21 H 1 1.132 . . 1 . . . . 70 THR HG21 . 17266 1 846 . 1 1 70 70 THR HG22 H 1 1.132 . . 1 . . . . 70 THR HG21 . 17266 1 847 . 1 1 70 70 THR HG23 H 1 1.132 . . 1 . . . . 70 THR HG21 . 17266 1 848 . 1 1 70 70 THR C C 13 172.795 . . 1 . . . . 70 THR C . 17266 1 849 . 1 1 70 70 THR CA C 13 60.176 . . 1 . . . . 70 THR CA . 17266 1 850 . 1 1 70 70 THR CB C 13 72.391 . . 1 . . . . 70 THR CB . 17266 1 851 . 1 1 70 70 THR CG2 C 13 21.549 . . 1 . . . . 70 THR CG2 . 17266 1 852 . 1 1 70 70 THR N N 15 109.090 . . 1 . . . . 70 THR N . 17266 1 853 . 1 1 71 71 VAL H H 1 8.424 . . 1 . . . . 71 VAL HN . 17266 1 854 . 1 1 71 71 VAL HA H 1 4.669 . . 1 . . . . 71 VAL HA . 17266 1 855 . 1 1 71 71 VAL HB H 1 2.138 . . 1 . . . . 71 VAL HB . 17266 1 856 . 1 1 71 71 VAL HG11 H 1 0.800 . . 1 . . . . 71 VAL HG11 . 17266 1 857 . 1 1 71 71 VAL HG12 H 1 0.800 . . 1 . . . . 71 VAL HG11 . 17266 1 858 . 1 1 71 71 VAL HG13 H 1 0.800 . . 1 . . . . 71 VAL HG11 . 17266 1 859 . 1 1 71 71 VAL HG21 H 1 0.762 . . 1 . . . . 71 VAL HG21 . 17266 1 860 . 1 1 71 71 VAL HG22 H 1 0.762 . . 1 . . . . 71 VAL HG21 . 17266 1 861 . 1 1 71 71 VAL HG23 H 1 0.762 . . 1 . . . . 71 VAL HG21 . 17266 1 862 . 1 1 71 71 VAL C C 13 172.025 . . 1 . . . . 71 VAL C . 17266 1 863 . 1 1 71 71 VAL CA C 13 61.546 . . 1 . . . . 71 VAL CA . 17266 1 864 . 1 1 71 71 VAL CB C 13 33.759 . . 1 . . . . 71 VAL CB . 17266 1 865 . 1 1 71 71 VAL CG1 C 13 19.848 . . 1 . . . . 71 VAL CG1 . 17266 1 866 . 1 1 71 71 VAL CG2 C 13 21.678 . . 1 . . . . 71 VAL CG2 . 17266 1 867 . 1 1 71 71 VAL N N 15 118.684 . . 1 . . . . 71 VAL N . 17266 1 868 . 1 1 72 72 ALA H H 1 8.908 . . 1 . . . . 72 ALA HN . 17266 1 869 . 1 1 72 72 ALA HA H 1 4.950 . . 1 . . . . 72 ALA HA . 17266 1 870 . 1 1 72 72 ALA HB1 H 1 1.403 . . 1 . . . . 72 ALA HB1 . 17266 1 871 . 1 1 72 72 ALA HB2 H 1 1.403 . . 1 . . . . 72 ALA HB1 . 17266 1 872 . 1 1 72 72 ALA HB3 H 1 1.403 . . 1 . . . . 72 ALA HB1 . 17266 1 873 . 1 1 72 72 ALA CA C 13 49.817 . . 1 . . . . 72 ALA CA . 17266 1 874 . 1 1 72 72 ALA CB C 13 21.067 . . 1 . . . . 72 ALA CB . 17266 1 875 . 1 1 72 72 ALA N N 15 129.044 . . 1 . . . . 72 ALA N . 17266 1 876 . 1 1 73 73 PRO HB2 H 1 2.326 . . 1 . . . . 73 PRO HB2 . 17266 1 877 . 1 1 73 73 PRO HB3 H 1 1.890 . . 2 . . . . 73 PRO HB3 . 17266 1 878 . 1 1 73 73 PRO HD2 H 1 3.744 . . 1 . . . . 73 PRO HD2 . 17266 1 879 . 1 1 73 73 PRO HD3 H 1 3.653 . . 2 . . . . 73 PRO HD3 . 17266 1 880 . 1 1 73 73 PRO HG2 H 1 2.140 . . 2 . . . . 73 PRO HG2 . 17266 1 881 . 1 1 73 73 PRO HG3 H 1 1.940 . . 2 . . . . 73 PRO HG3 . 17266 1 882 . 1 1 73 73 PRO C C 13 176.418 . . 1 . . . . 73 PRO C . 17266 1 883 . 1 1 73 73 PRO CA C 13 63.077 . . 1 . . . . 73 PRO CA . 17266 1 884 . 1 1 73 73 PRO CB C 13 32.124 . . 1 . . . . 73 PRO CB . 17266 1 885 . 1 1 73 73 PRO CD C 13 50.915 . . 1 . . . . 73 PRO CD . 17266 1 886 . 1 1 73 73 PRO CG C 13 27.780 . . 1 . . . . 73 PRO CG . 17266 1 887 . 1 1 74 74 GLN H H 1 8.390 . . 1 . . . . 74 GLN HN . 17266 1 888 . 1 1 74 74 GLN HA H 1 4.415 . . 1 . . . . 74 GLN HA . 17266 1 889 . 1 1 74 74 GLN HB2 H 1 1.746 . . 1 . . . . 74 GLN HB2 . 17266 1 890 . 1 1 74 74 GLN HB3 H 1 1.927 . . 1 . . . . 74 GLN HB3 . 17266 1 891 . 1 1 74 74 GLN HE21 H 1 7.366 . . 2 . . . . 74 GLN HE21 . 17266 1 892 . 1 1 74 74 GLN HE22 H 1 6.918 . . 1 . . . . 74 GLN HE22 . 17266 1 893 . 1 1 74 74 GLN HG2 H 1 2.236 . . 1 . . . . 74 GLN HG2 . 17266 1 894 . 1 1 74 74 GLN HG3 H 1 2.082 . . 1 . . . . 74 GLN HG3 . 17266 1 895 . 1 1 74 74 GLN C C 13 175.480 . . 1 . . . . 74 GLN C . 17266 1 896 . 1 1 74 74 GLN CA C 13 55.682 . . 1 . . . . 74 GLN CA . 17266 1 897 . 1 1 74 74 GLN CB C 13 30.106 . . 1 . . . . 74 GLN CB . 17266 1 898 . 1 1 74 74 GLN CG C 13 34.110 . . 1 . . . . 74 GLN CG . 17266 1 899 . 1 1 74 74 GLN N N 15 123.501 . . 1 . . . . 74 GLN N . 17266 1 900 . 1 1 74 74 GLN NE2 N 15 111.744 . . 1 . . . . 74 GLN NE2 . 17266 1 901 . 1 1 75 75 VAL H H 1 8.391 . . 1 . . . . 75 VAL HN . 17266 1 902 . 1 1 75 75 VAL HA H 1 4.131 . . 1 . . . . 75 VAL HA . 17266 1 903 . 1 1 75 75 VAL HB H 1 2.042 . . 1 . . . . 75 VAL HB . 17266 1 904 . 1 1 75 75 VAL HG11 H 1 0.918 . . 1 . . . . 75 VAL HG11 . 17266 1 905 . 1 1 75 75 VAL HG12 H 1 0.918 . . 1 . . . . 75 VAL HG11 . 17266 1 906 . 1 1 75 75 VAL HG13 H 1 0.918 . . 1 . . . . 75 VAL HG11 . 17266 1 907 . 1 1 75 75 VAL HG21 H 1 0.926 . . 1 . . . . 75 VAL HG21 . 17266 1 908 . 1 1 75 75 VAL HG22 H 1 0.926 . . 1 . . . . 75 VAL HG21 . 17266 1 909 . 1 1 75 75 VAL HG23 H 1 0.926 . . 1 . . . . 75 VAL HG21 . 17266 1 910 . 1 1 75 75 VAL C C 13 175.928 . . 1 . . . . 75 VAL C . 17266 1 911 . 1 1 75 75 VAL CA C 13 62.241 . . 1 . . . . 75 VAL CA . 17266 1 912 . 1 1 75 75 VAL CB C 13 32.977 . . 1 . . . . 75 VAL CB . 17266 1 913 . 1 1 75 75 VAL CG1 C 13 20.448 . . 1 . . . . 75 VAL CG1 . 17266 1 914 . 1 1 75 75 VAL CG2 C 13 21.181 . . 1 . . . . 75 VAL CG2 . 17266 1 915 . 1 1 75 75 VAL N N 15 123.501 . . 1 . . . . 75 VAL N . 17266 1 916 . 1 1 76 76 GLN H H 1 8.612 . . 1 . . . . 76 GLN HN . 17266 1 917 . 1 1 76 76 GLN HA H 1 4.411 . . 1 . . . . 76 GLN HA . 17266 1 918 . 1 1 76 76 GLN HB2 H 1 2.080 . . 1 . . . . 76 GLN HB2 . 17266 1 919 . 1 1 76 76 GLN HB3 H 1 1.968 . . 1 . . . . 76 GLN HB3 . 17266 1 920 . 1 1 76 76 GLN HE21 H 1 7.556 . . 2 . . . . 76 GLN HE21 . 17266 1 921 . 1 1 76 76 GLN HE22 H 1 6.877 . . 2 . . . . 76 GLN HE22 . 17266 1 922 . 1 1 76 76 GLN HG2 H 1 2.342 . . 1 . . . . 76 GLN HG2 . 17266 1 923 . 1 1 76 76 GLN HG3 H 1 2.342 . . 1 . . . . 76 GLN HG3 . 17266 1 924 . 1 1 76 76 GLN C C 13 175.915 . . 1 . . . . 76 GLN C . 17266 1 925 . 1 1 76 76 GLN CA C 13 55.700 . . 1 . . . . 76 GLN CA . 17266 1 926 . 1 1 76 76 GLN CB C 13 30.050 . . 1 . . . . 76 GLN CB . 17266 1 927 . 1 1 76 76 GLN CG C 13 33.950 . . 1 . . . . 76 GLN CG . 17266 1 928 . 1 1 76 76 GLN N N 15 124.796 . . 1 . . . . 76 GLN N . 17266 1 929 . 1 1 76 76 GLN NE2 N 15 112.339 . . 1 . . . . 76 GLN NE2 . 17266 1 930 . 1 1 77 77 THR H H 1 8.250 . . 1 . . . . 77 THR HN . 17266 1 931 . 1 1 77 77 THR HA H 1 4.288 . . 1 . . . . 77 THR HA . 17266 1 932 . 1 1 77 77 THR HB H 1 4.179 . . 1 . . . . 77 THR HB . 17266 1 933 . 1 1 77 77 THR HG21 H 1 1.181 . . 1 . . . . 77 THR HG21 . 17266 1 934 . 1 1 77 77 THR HG22 H 1 1.181 . . 1 . . . . 77 THR HG21 . 17266 1 935 . 1 1 77 77 THR HG23 H 1 1.181 . . 1 . . . . 77 THR HG21 . 17266 1 936 . 1 1 77 77 THR C C 13 174.226 . . 1 . . . . 77 THR C . 17266 1 937 . 1 1 77 77 THR CA C 13 61.984 . . 1 . . . . 77 THR CA . 17266 1 938 . 1 1 77 77 THR CB C 13 69.876 . . 1 . . . . 77 THR CB . 17266 1 939 . 1 1 77 77 THR CG2 C 13 21.600 . . 1 . . . . 77 THR CG2 . 17266 1 940 . 1 1 77 77 THR N N 15 116.719 . . 1 . . . . 77 THR N . 17266 1 941 . 1 1 78 78 ALA H H 1 8.434 . . 1 . . . . 78 ALA HN . 17266 1 942 . 1 1 78 78 ALA HA H 1 4.315 . . 1 . . . . 78 ALA HA . 17266 1 943 . 1 1 78 78 ALA HB1 H 1 1.381 . . 1 . . . . 78 ALA HB1 . 17266 1 944 . 1 1 78 78 ALA HB2 H 1 1.381 . . 1 . . . . 78 ALA HB1 . 17266 1 945 . 1 1 78 78 ALA HB3 H 1 1.381 . . 1 . . . . 78 ALA HB1 . 17266 1 946 . 1 1 78 78 ALA C C 13 178.072 . . 1 . . . . 78 ALA C . 17266 1 947 . 1 1 78 78 ALA CA C 13 52.662 . . 1 . . . . 78 ALA CA . 17266 1 948 . 1 1 78 78 ALA CB C 13 19.345 . . 1 . . . . 78 ALA CB . 17266 1 949 . 1 1 78 78 ALA N N 15 126.908 . . 1 . . . . 78 ALA N . 17266 1 950 . 1 1 79 79 GLY H H 1 8.403 . . 1 . . . . 79 GLY HN . 17266 1 951 . 1 1 79 79 GLY HA2 H 1 3.905 . . 2 . . . . 79 GLY HA2 . 17266 1 952 . 1 1 79 79 GLY HA3 H 1 3.904 . . 1 . . . . 79 GLY HA3 . 17266 1 953 . 1 1 79 79 GLY C C 13 173.649 . . 1 . . . . 79 GLY C . 17266 1 954 . 1 1 79 79 GLY CA C 13 45.110 . . 1 . . . . 79 GLY CA . 17266 1 955 . 1 1 79 79 GLY N N 15 108.812 . . 1 . . . . 79 GLY N . 17266 1 956 . 1 1 80 80 ALA H H 1 8.066 . . 1 . . . . 80 ALA HN . 17266 1 957 . 1 1 80 80 ALA HA H 1 4.286 . . 1 . . . . 80 ALA HA . 17266 1 958 . 1 1 80 80 ALA HB1 H 1 1.333 . . 1 . . . . 80 ALA HB1 . 17266 1 959 . 1 1 80 80 ALA HB2 H 1 1.333 . . 1 . . . . 80 ALA HB1 . 17266 1 960 . 1 1 80 80 ALA HB3 H 1 1.333 . . 1 . . . . 80 ALA HB1 . 17266 1 961 . 1 1 80 80 ALA C C 13 177.357 . . 1 . . . . 80 ALA C . 17266 1 962 . 1 1 80 80 ALA CA C 13 52.284 . . 1 . . . . 80 ALA CA . 17266 1 963 . 1 1 80 80 ALA CB C 13 19.564 . . 1 . . . . 80 ALA CB . 17266 1 964 . 1 1 80 80 ALA N N 15 123.671 . . 1 . . . . 80 ALA N . 17266 1 965 . 1 1 81 81 LYS H H 1 8.293 . . 1 . . . . 81 LYS HN . 17266 1 966 . 1 1 81 81 LYS HA H 1 5.316 . . 1 . . . . 81 LYS HA . 17266 1 967 . 1 1 81 81 LYS CA C 13 54.018 . . 1 . . . . 81 LYS CA . 17266 1 968 . 1 1 81 81 LYS CB C 13 32.605 . . 1 . . . . 81 LYS CB . 17266 1 969 . 1 1 81 81 LYS N N 15 122.652 . . 1 . . . . 81 LYS N . 17266 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17266 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 17 'Heteronuclear NOE' . . . 17266 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $NMRView . . 17266 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU H H 1 . 1 1 3 3 GLU N N 15 0.3768 0.0272 . . 1 3 E HN 1 3 E N 17266 1 2 . 1 1 4 4 HIS H H 1 . 1 1 4 4 HIS N N 15 0.6773 0.0457 . . 1 4 H HN 1 4 H N 17266 1 3 . 1 1 5 5 ARG H H 1 . 1 1 5 5 ARG N N 15 0.7286 0.0408 . . 1 5 R HN 1 5 R N 17266 1 4 . 1 1 6 6 ALA H H 1 . 1 1 6 6 ALA N N 15 0.7586 0.0377 . . 1 6 A HN 1 6 A N 17266 1 5 . 1 1 7 7 VAL H H 1 . 1 1 7 7 VAL N N 15 0.7396 0.0396 . . 1 7 V HN 1 7 V N 17266 1 6 . 1 1 8 8 GLY H H 1 . 1 1 8 8 GLY N N 15 0.7613 0.0373 . . 1 8 G HN 1 8 G N 17266 1 7 . 1 1 9 9 ARG H H 1 . 1 1 9 9 ARG N N 15 0.7502 0.0434 . . 1 9 R HN 1 9 R N 17266 1 8 . 1 1 10 10 ILE H H 1 . 1 1 10 10 ILE N N 15 0.7651 0.0429 . . 1 10 I HN 1 10 I N 17266 1 9 . 1 1 11 11 GLN H H 1 . 1 1 11 11 GLN N N 15 0.7689 0.0586 . . 1 11 Q HN 1 11 Q N 17266 1 10 . 1 1 12 12 SER H H 1 . 1 1 12 12 SER N N 15 0.7411 0.0353 . . 1 12 S HN 1 12 S N 17266 1 11 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.7580 0.0377 . . 1 13 I HN 1 13 I N 17266 1 12 . 1 1 15 15 GLU H H 1 . 1 1 15 15 GLU N N 15 0.6265 0.0260 . . 1 15 E HN 1 15 E N 17266 1 13 . 1 1 16 16 ARG H H 1 . 1 1 16 16 ARG N N 15 0.6057 0.0394 . . 1 16 R HN 1 16 R N 17266 1 14 . 1 1 17 17 SER H H 1 . 1 1 17 17 SER N N 15 0.7437 0.0307 . . 1 17 S HN 1 17 S N 17266 1 15 . 1 1 18 18 LEU H H 1 . 1 1 18 18 LEU N N 15 0.7574 0.0454 . . 1 18 L HN 1 18 L N 17266 1 16 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.7544 0.0431 . . 1 19 I HN 1 19 I N 17266 1 17 . 1 1 20 20 ILE H H 1 . 1 1 20 20 ILE N N 15 0.7694 0.0553 . . 1 20 I HN 1 20 I N 17266 1 18 . 1 1 21 21 ALA H H 1 . 1 1 21 21 ALA N N 15 0.7700 0.0528 . . 1 21 A HN 1 21 A N 17266 1 19 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.7754 0.0578 . . 1 22 H HN 1 22 H N 17266 1 20 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.7403 0.0582 . . 1 23 E HN 1 23 E N 17266 1 21 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.7435 0.0428 . . 1 24 A HN 1 24 A N 17266 1 22 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.7332 0.0471 . . 1 25 I HN 1 25 I N 17266 1 23 . 1 1 27 27 SER H H 1 . 1 1 27 27 SER N N 15 0.7557 0.0532 . . 1 27 S HN 1 27 S N 17266 1 24 . 1 1 28 28 ALA H H 1 . 1 1 28 28 ALA N N 15 0.7423 0.1032 . . 1 28 A HN 1 28 A N 17266 1 25 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.7205 0.0535 . . 1 29 Q HN 1 29 Q N 17266 1 26 . 1 1 30 30 TRP H H 1 . 1 1 30 30 TRP N N 15 0.7562 0.0433 . . 1 30 W HN 1 30 W N 17266 1 27 . 1 1 30 30 TRP HE1 H 1 . 1 1 30 30 TRP N N 15 0.6657 0.0278 . . 1 30 W HE1 1 30 W N 17266 1 28 . 1 1 31 31 GLY H H 1 . 1 1 31 31 GLY N N 15 0.7281 0.0670 . . 1 31 G HN 1 31 G N 17266 1 29 . 1 1 32 32 ALA H H 1 . 1 1 32 32 ALA N N 15 0.7425 0.0374 . . 1 32 A HN 1 32 A N 17266 1 30 . 1 1 33 33 MET H H 1 . 1 1 33 33 MET N N 15 0.7503 0.1459 . . 1 33 M HN 1 33 M N 17266 1 31 . 1 1 34 34 THR H H 1 . 1 1 34 34 THR N N 15 0.7161 0.0416 . . 1 34 T HN 1 34 T N 17266 1 32 . 1 1 35 35 MET H H 1 . 1 1 35 35 MET N N 15 0.7588 0.0513 . . 1 35 M HN 1 35 M N 17266 1 33 . 1 1 36 36 GLU H H 1 . 1 1 36 36 GLU N N 15 0.7640 0.0479 . . 1 36 E HN 1 36 E N 17266 1 34 . 1 1 37 37 PHE H H 1 . 1 1 37 37 PHE N N 15 0.7591 0.0557 . . 1 37 F HN 1 37 F N 17266 1 35 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.7405 0.0413 . . 1 38 A HN 1 38 A N 17266 1 36 . 1 1 39 39 ALA H H 1 . 1 1 39 39 ALA N N 15 0.7425 0.0360 . . 1 39 A HN 1 39 A N 17266 1 37 . 1 1 42 42 ALA H H 1 . 1 1 42 42 ALA N N 15 0.6565 0.0277 . . 1 42 A HN 1 42 A N 17266 1 38 . 1 1 43 43 GLY H H 1 . 1 1 43 43 GLY N N 15 0.6817 0.0316 . . 1 43 G HN 1 43 G N 17266 1 39 . 1 1 44 44 LEU H H 1 . 1 1 44 44 LEU N N 15 0.6717 0.0285 . . 1 44 L HN 1 44 L N 17266 1 40 . 1 1 46 46 GLN H H 1 . 1 1 46 46 GLN N N 15 0.6692 0.0268 . . 1 46 Q HN 1 46 Q N 17266 1 41 . 1 1 47 47 GLY H H 1 . 1 1 47 47 GLY N N 15 0.6535 0.0356 . . 1 47 G HN 1 47 G N 17266 1 42 . 1 1 48 48 LEU H H 1 . 1 1 48 48 LEU N N 15 0.6765 0.0299 . . 1 48 L HN 1 48 L N 17266 1 43 . 1 1 49 49 LYS H H 1 . 1 1 49 49 LYS N N 15 0.7128 0.0363 . . 1 49 K HN 1 49 K N 17266 1 44 . 1 1 50 50 ALA H H 1 . 1 1 50 50 ALA N N 15 0.7511 0.0302 . . 1 50 A HN 1 50 A N 17266 1 45 . 1 1 51 51 GLY H H 1 . 1 1 51 51 GLY N N 15 0.7451 0.0457 . . 1 51 G HN 1 51 G N 17266 1 46 . 1 1 52 52 ASP H H 1 . 1 1 52 52 ASP N N 15 0.7516 0.0296 . . 1 52 D HN 1 52 D N 17266 1 47 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.7244 0.0377 . . 1 53 R HN 1 53 R N 17266 1 48 . 1 1 54 54 VAL H H 1 . 1 1 54 54 VAL N N 15 0.7586 0.0452 . . 1 54 V HN 1 54 V N 17266 1 49 . 1 1 55 55 ALA H H 1 . 1 1 55 55 ALA N N 15 0.7598 0.0447 . . 1 55 A HN 1 55 A N 17266 1 50 . 1 1 56 56 PHE H H 1 . 1 1 56 56 PHE N N 15 0.7707 0.0384 . . 1 56 F HN 1 56 F N 17266 1 51 . 1 1 57 57 SER H H 1 . 1 1 57 57 SER N N 15 0.7963 0.0465 . . 1 57 S HN 1 57 S N 17266 1 52 . 1 1 60 60 LEU H H 1 . 1 1 60 60 LEU N N 15 0.7207 0.0447 . . 1 60 L HN 1 60 L N 17266 1 53 . 1 1 61 61 ASP H H 1 . 1 1 61 61 ASP N N 15 0.6964 0.0381 . . 1 61 D HN 1 61 D N 17266 1 54 . 1 1 63 63 HIS H H 1 . 1 1 63 63 HIS N N 15 0.6138 0.0380 . . 1 63 H HN 1 63 H N 17266 1 55 . 1 1 64 64 GLY H H 1 . 1 1 64 64 GLY N N 15 0.6429 0.0366 . . 1 64 G HN 1 64 G N 17266 1 56 . 1 1 65 65 MET H H 1 . 1 1 65 65 MET N N 15 0.6080 0.0369 . . 1 65 M HN 1 65 M N 17266 1 57 . 1 1 66 66 ALA H H 1 . 1 1 66 66 ALA N N 15 0.6598 0.0412 . . 1 66 A HN 1 66 A N 17266 1 58 . 1 1 67 67 THR H H 1 . 1 1 67 67 THR N N 15 0.7667 0.0492 . . 1 67 T HN 1 67 T N 17266 1 59 . 1 1 68 68 LEU H H 1 . 1 1 68 68 LEU N N 15 0.7739 0.0500 . . 1 68 L HN 1 68 L N 17266 1 60 . 1 1 69 69 VAL H H 1 . 1 1 69 69 VAL N N 15 0.7521 0.0611 . . 1 69 V HN 1 69 V N 17266 1 61 . 1 1 70 70 THR H H 1 . 1 1 70 70 THR N N 15 0.7203 0.0394 . . 1 70 T HN 1 70 T N 17266 1 62 . 1 1 71 71 VAL H H 1 . 1 1 71 71 VAL N N 15 0.7365 0.0347 . . 1 71 V HN 1 71 V N 17266 1 63 . 1 1 72 72 ALA H H 1 . 1 1 72 72 ALA N N 15 0.7601 0.0398 . . 1 72 A HN 1 72 A N 17266 1 64 . 1 1 77 77 THR H H 1 . 1 1 77 77 THR N N 15 -0.0002 -0.0179 . . 1 77 T HN 1 77 T N 17266 1 65 . 1 1 78 78 ALA H H 1 . 1 1 78 78 ALA N N 15 -0.2565 -0.0176 . . 1 78 A HN 1 78 A N 17266 1 66 . 1 1 79 79 GLY H H 1 . 1 1 79 79 GLY N N 15 -0.6038 -0.0231 . . 1 79 G HN 1 79 G N 17266 1 67 . 1 1 80 80 ALA H H 1 . 1 1 80 80 ALA N N 15 -0.6712 -0.0214 . . 1 80 A HN 1 80 A N 17266 1 68 . 1 1 81 81 LYS H H 1 . 1 1 81 81 LYS N N 15 -1.2025 -0.0279 . . 1 81 K HN 1 81 K N 17266 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 17266 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 'T1 relaxation' . . . 17266 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $NMRView . . 17266 1 7 $Curvefit . . 17266 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU H H 1 1.4986 0.0089 . . 3 E HN 17266 1 2 . 1 1 4 4 HIS H H 1 1.6717 0.0170 . . 4 H HN 17266 1 3 . 1 1 5 5 ARG H H 1 1.6687 0.0145 . . 5 R HN 17266 1 4 . 1 1 6 6 ALA H H 1 1.7704 0.0124 . . 6 A HN 17266 1 5 . 1 1 7 7 VAL H H 1 1.7642 0.0142 . . 7 V HN 17266 1 6 . 1 1 8 8 GLY H H 1 1.8553 0.0170 . . 8 G HN 17266 1 7 . 1 1 9 9 ARG H H 1 1.7393 0.0149 . . 9 R HN 17266 1 8 . 1 1 10 10 ILE H H 1 1.7146 0.0181 . . 10 I HN 17266 1 9 . 1 1 11 11 GLN H H 1 1.7941 0.0247 . . 11 Q HN 17266 1 10 . 1 1 12 12 SER H H 1 1.7657 0.0123 . . 12 S HN 17266 1 11 . 1 1 13 13 ILE H H 1 1.7386 0.0135 . . 13 I HN 17266 1 12 . 1 1 15 15 GLU H H 1 1.5787 0.0082 . . 15 E HN 17266 1 13 . 1 1 17 17 SER H H 1 1.7615 0.0094 . . 17 S HN 17266 1 14 . 1 1 18 18 LEU H H 1 1.7485 0.0169 . . 18 L HN 17266 1 15 . 1 1 19 19 ILE H H 1 1.7216 0.0144 . . 19 I HN 17266 1 16 . 1 1 20 20 ILE H H 1 1.6923 0.0225 . . 20 I HN 17266 1 17 . 1 1 21 21 ALA H H 1 1.7333 0.0194 . . 21 A HN 17266 1 18 . 1 1 22 22 HIS H H 1 1.7402 0.0258 . . 22 H HN 17266 1 19 . 1 1 23 23 GLU H H 1 1.8490 0.0237 . . 23 E HN 17266 1 20 . 1 1 24 24 ALA H H 1 1.7197 0.0168 . . 24 A HN 17266 1 21 . 1 1 25 25 ILE H H 1 1.6978 0.0188 . . 25 I HN 17266 1 22 . 1 1 27 27 SER H H 1 1.7671 0.0222 . . 27 S HN 17266 1 23 . 1 1 28 28 ALA H H 1 1.6558 0.0451 . . 28 A HN 17266 1 24 . 1 1 29 29 GLN H H 1 1.7091 0.0235 . . 29 Q HN 17266 1 25 . 1 1 30 30 TRP H H 1 1.7146 0.0163 . . 30 W HN 17266 1 26 . 1 1 30 30 TRP HE1 H 1 1.2643 0.0096 . . 30 W HE1 17266 1 27 . 1 1 31 31 GLY H H 1 1.6354 0.0279 . . 31 G HN 17266 1 28 . 1 1 32 32 ALA H H 1 1.6925 0.0136 . . 32 A HN 17266 1 29 . 1 1 33 33 MET H H 1 1.6808 0.0684 . . 33 M HN 17266 1 30 . 1 1 34 34 THR H H 1 1.6515 0.0144 . . 34 T HN 17266 1 31 . 1 1 35 35 MET H H 1 1.6720 0.0187 . . 35 M HN 17266 1 32 . 1 1 36 36 GLU H H 1 1.6696 0.0172 . . 36 E HN 17266 1 33 . 1 1 37 37 PHE H H 1 1.7036 0.0218 . . 37 F HN 17266 1 34 . 1 1 38 38 ALA H H 1 1.7745 0.0162 . . 38 A HN 17266 1 35 . 1 1 39 39 ALA H H 1 1.7895 0.0132 . . 39 A HN 17266 1 36 . 1 1 42 42 ALA H H 1 1.6230 0.0096 . . 42 A HN 17266 1 37 . 1 1 43 43 GLY H H 1 1.6132 0.0107 . . 43 G HN 17266 1 38 . 1 1 44 44 LEU H H 1 1.5506 0.0084 . . 44 L HN 17266 1 39 . 1 1 46 46 GLN H H 1 1.6125 0.0095 . . 46 Q HN 17266 1 40 . 1 1 47 47 GLY H H 1 1.6214 0.0133 . . 47 G HN 17266 1 41 . 1 1 48 48 LEU H H 1 1.5320 0.0084 . . 48 L HN 17266 1 42 . 1 1 49 49 LYS H H 1 1.7070 0.0142 . . 49 K HN 17266 1 43 . 1 1 50 50 ALA H H 1 1.7595 0.0111 . . 50 A HN 17266 1 44 . 1 1 51 51 GLY H H 1 1.6684 0.0168 . . 51 G HN 17266 1 45 . 1 1 52 52 ASP H H 1 1.8249 0.0118 . . 52 D HN 17266 1 46 . 1 1 53 53 ARG H H 1 1.5839 0.0118 . . 53 R HN 17266 1 47 . 1 1 54 54 VAL H H 1 1.8619 0.0164 . . 54 V HN 17266 1 48 . 1 1 55 55 ALA H H 1 1.8248 0.0183 . . 55 A HN 17266 1 49 . 1 1 56 56 PHE H H 1 1.8452 0.0146 . . 56 F HN 17266 1 50 . 1 1 57 57 SER H H 1 1.8655 0.0179 . . 57 S HN 17266 1 51 . 1 1 60 60 LEU H H 1 1.7295 0.0185 . . 60 L HN 17266 1 52 . 1 1 61 61 ASP H H 1 1.7248 0.0130 . . 61 D HN 17266 1 53 . 1 1 63 63 HIS H H 1 1.6499 0.0157 . . 63 H HN 17266 1 54 . 1 1 64 64 GLY H H 1 1.7222 0.0132 . . 64 G HN 17266 1 55 . 1 1 65 65 MET H H 1 1.6838 0.0128 . . 65 M HN 17266 1 56 . 1 1 66 66 ALA H H 1 1.7513 0.0173 . . 66 A HN 17266 1 57 . 1 1 67 67 THR H H 1 1.7754 0.0187 . . 67 T HN 17266 1 58 . 1 1 68 68 LEU H H 1 1.8429 0.0227 . . 68 L HN 17266 1 59 . 1 1 69 69 VAL H H 1 1.7634 0.0253 . . 69 V HN 17266 1 60 . 1 1 70 70 THR H H 1 1.6650 0.0129 . . 70 T HN 17266 1 61 . 1 1 71 71 VAL H H 1 1.7552 0.0112 . . 71 V HN 17266 1 62 . 1 1 72 72 ALA H H 1 1.8033 0.0163 . . 72 A HN 17266 1 63 . 1 1 75 75 VAL H H 1 1.6501 0.0062 . . 75 V HN 17266 1 64 . 1 1 81 81 LYS H H 1 0.9669 0.0034 . . 81 K HN 17266 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 17266 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 'T1rho relaxation' . . . 17266 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $NMRView . . 17266 1 7 $Curvefit . . 17266 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLU H H 1 0.0409 5.6068 . . . . 3 E HN 17266 1 2 . 1 1 4 4 HIS H H 1 0.0981 8.3264 . . . . 4 H HN 17266 1 3 . 1 1 5 5 ARG H H 1 0.0742 7.8474 . . . . 5 R HN 17266 1 4 . 1 1 6 6 ALA H H 1 0.0651 8.2622 . . . . 6 A HN 17266 1 5 . 1 1 7 7 VAL H H 1 0.0805 8.1860 . . . . 7 V HN 17266 1 6 . 1 1 8 8 GLY H H 1 0.0974 9.9036 . . . . 8 G HN 17266 1 7 . 1 1 9 9 ARG H H 1 0.0829 8.4493 . . . . 9 R HN 17266 1 8 . 1 1 10 10 ILE H H 1 0.1070 9.4452 . . . . 10 I HN 17266 1 9 . 1 1 11 11 GLN H H 1 0.1675 9.7952 . . . . 11 Q HN 17266 1 10 . 1 1 12 12 SER H H 1 0.0671 8.2092 . . . . 12 S HN 17266 1 11 . 1 1 13 13 ILE H H 1 0.0659 8.0413 . . . . 13 I HN 17266 1 12 . 1 1 15 15 GLU H H 1 0.0469 7.1693 . . . . 15 E HN 17266 1 13 . 1 1 16 16 ARG H H 1 0.1114 9.5114 . . . . 16 R HN 17266 1 14 . 1 1 17 17 SER H H 1 0.0543 8.4008 . . . . 17 S HN 17266 1 15 . 1 1 18 18 LEU H H 1 0.0917 8.7724 . . . . 18 L HN 17266 1 16 . 1 1 19 19 ILE H H 1 0.0921 8.6035 . . . . 19 I HN 17266 1 17 . 1 1 20 20 ILE H H 1 0.1376 9.8397 . . . . 20 I HN 17266 1 18 . 1 1 21 21 ALA H H 1 0.1547 10.3643 . . . . 21 A HN 17266 1 19 . 1 1 22 22 HIS H H 1 0.1729 11.1372 . . . . 22 H HN 17266 1 20 . 1 1 23 23 GLU H H 1 0.1339 9.4307 . . . . 23 E HN 17266 1 21 . 1 1 24 24 ALA H H 1 0.1110 10.7837 . . . . 24 A HN 17266 1 22 . 1 1 25 25 ILE H H 1 0.0941 8.5008 . . . . 25 I HN 17266 1 23 . 1 1 27 27 SER H H 1 0.1873 9.1499 . . . . 27 S HN 17266 1 24 . 1 1 28 28 ALA H H 1 0.2983 9.4365 . . . . 28 A HN 17266 1 25 . 1 1 29 29 GLN H H 1 0.2387 14.8292 . . . . 29 Q HN 17266 1 26 . 1 1 30 30 TRP H H 1 0.0838 8.9000 . . . . 30 W HN 17266 1 27 . 1 1 30 30 TRP HE1 H 1 0.0624 9.0071 . . . . 30 W HE1 17266 1 28 . 1 1 31 31 GLY H H 1 0.2208 10.9972 . . . . 31 G HN 17266 1 29 . 1 1 32 32 ALA H H 1 0.0914 9.4000 . . . . 32 A HN 17266 1 30 . 1 1 33 33 MET H H 1 0.4536 10.7833 . . . . 33 M HN 17266 1 31 . 1 1 34 34 THR H H 1 0.0988 8.3534 . . . . 34 T HN 17266 1 32 . 1 1 35 35 MET H H 1 0.1758 12.7898 . . . . 35 M HN 17266 1 33 . 1 1 36 36 GLU H H 1 0.1149 8.8776 . . . . 36 E HN 17266 1 34 . 1 1 37 37 PHE H H 1 0.1179 8.7238 . . . . 37 F HN 17266 1 35 . 1 1 38 38 ALA H H 1 0.1009 8.7840 . . . . 38 A HN 17266 1 36 . 1 1 39 39 ALA H H 1 0.0693 8.3283 . . . . 39 A HN 17266 1 37 . 1 1 42 42 ALA H H 1 0.0457 7.0144 . . . . 42 A HN 17266 1 38 . 1 1 43 43 GLY H H 1 0.0686 8.0092 . . . . 43 G HN 17266 1 39 . 1 1 44 44 LEU H H 1 0.0453 6.9608 . . . . 44 L HN 17266 1 40 . 1 1 46 46 GLN H H 1 0.0388 6.7500 . . . . 46 Q HN 17266 1 41 . 1 1 47 47 GLY H H 1 0.0781 7.0702 . . . . 47 G HN 17266 1 42 . 1 1 48 48 LEU H H 1 0.0433 7.4616 . . . . 48 L HN 17266 1 43 . 1 1 49 49 LYS H H 1 0.0602 7.7046 . . . . 49 K HN 17266 1 44 . 1 1 50 50 ALA H H 1 0.0481 7.9840 . . . . 50 A HN 17266 1 45 . 1 1 51 51 GLY H H 1 0.1060 8.9701 . . . . 51 G HN 17266 1 46 . 1 1 52 52 ASP H H 1 0.0715 8.9599 . . . . 52 D HN 17266 1 47 . 1 1 53 53 ARG H H 1 0.0729 8.4544 . . . . 53 R HN 17266 1 48 . 1 1 54 54 VAL H H 1 0.0836 8.3374 . . . . 54 V HN 17266 1 49 . 1 1 55 55 ALA H H 1 0.0842 8.4178 . . . . 55 A HN 17266 1 50 . 1 1 56 56 PHE H H 1 0.0726 8.3536 . . . . 56 F HN 17266 1 51 . 1 1 57 57 SER H H 1 0.0947 8.5612 . . . . 57 S HN 17266 1 52 . 1 1 60 60 LEU H H 1 0.0897 7.8152 . . . . 60 L HN 17266 1 53 . 1 1 61 61 ASP H H 1 0.0655 7.8188 . . . . 61 D HN 17266 1 54 . 1 1 63 63 HIS H H 1 0.0690 6.9014 . . . . 63 H HN 17266 1 55 . 1 1 64 64 GLY H H 1 0.0715 7.2090 . . . . 64 G HN 17266 1 56 . 1 1 65 65 MET H H 1 0.0625 7.5056 . . . . 65 M HN 17266 1 57 . 1 1 66 66 ALA H H 1 0.0915 8.1412 . . . . 66 A HN 17266 1 58 . 1 1 67 67 THR H H 1 0.0943 8.3693 . . . . 67 T HN 17266 1 59 . 1 1 68 68 LEU H H 1 0.1133 8.9284 . . . . 68 L HN 17266 1 60 . 1 1 69 69 VAL H H 1 0.1393 8.7236 . . . . 69 V HN 17266 1 61 . 1 1 70 70 THR H H 1 0.0744 7.7801 . . . . 70 T HN 17266 1 62 . 1 1 71 71 VAL H H 1 0.0526 7.6919 . . . . 71 V HN 17266 1 63 . 1 1 72 72 ALA H H 1 0.0825 8.7778 . . . . 72 A HN 17266 1 64 . 1 1 76 76 GLN H H 1 0.0252 4.2071 . . . . 76 Q HN 17266 1 65 . 1 1 78 78 ALA H H 1 0.0185 2.4889 . . . . 78 A HN 17266 1 66 . 1 1 80 80 ALA H H 1 0.0142 1.6971 . . . . 80 A HN 17266 1 stop_ save_