data_19960 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19960 _Entry.Title ; Solution structure of the human chemokine CCL19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-09 _Entry.Accession_date 2014-05-09 _Entry.Last_release_date 2015-06-08 _Entry.Original_release_date 2015-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 C. Veldkamp . T. . 19960 2 F. Peterson . C. . 19960 3 S. Gabel-Eissens . J. . 19960 4 M. Gillitzer . L. . 19960 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 1 'not applicable' 'not applicable' . 19960 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCL19 . 19960 CCL21 . 19960 CCR7 . 19960 'chemokine receptors' . 19960 chemokines . 19960 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19960 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 19960 '15N chemical shifts' 77 19960 '1H chemical shifts' 557 19960 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-08 . original BMRB . 19960 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MP1 'BMRB Entry Tracking System' 19960 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19960 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the human chemokine CCL19 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 C. Veldkamp . T.. . 19960 1 2 F. Peterson . C. . 19960 1 3 S. Gabel-Eissens . J. . 19960 1 4 M. Gillitzer . L. . 19960 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19960 _Assembly.ID 1 _Assembly.Name 'Human Chemokine CCL19' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human Chemokine CCL19' 1 $Human_Chemokine_CCL19 A . yes native no no . . . 19960 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . 19960 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 19960 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_Chemokine_CCL19 _Entity.Sf_category entity _Entity.Sf_framecode Human_Chemokine_CCL19 _Entity.Entry_ID 19960 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_Chemokine_CCL19 _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 ; GTNDAEDCCLSVTQKPIPGY IVRNFHYLLIKDGCRVPAVV FTTLRGRQLCAPPDQPWVER IIQRLQRTSAKMKRRSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CCL19 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8814.347 _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 2MP1 . "Solution Structure Of The Human Chemokine Ccl19" . . . . . 100.00 77 100.00 100.00 5.66e-49 . . . . 19960 1 2 no DBJ BAA20383 . "EBI1-ligand chemokine [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 3 no DBJ BAG34886 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 4 no DBJ BAJ20579 . "chemokine (C-C motif) ligand 19 [synthetic construct]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 5 no EMBL CAA11307 . "EBI1-ligand chemokine [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 6 no EMBL CAG33149 . "CCL19 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 7 no GB AAC23905 . "beta chemokine Exodus-3 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 8 no GB AAC50944 . "macrophage inflammatory protein 3 beta [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 9 no GB AAH27968 . "Chemokine (C-C motif) ligand 19 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 10 no GB AAS20190 . "macrophage inflamatory protein 3 beta [synthetic construct]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 11 no GB ABK41949 . "chemokine (C-C motif) ligand 19 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 12 no REF NP_006265 . "C-C motif chemokine 19 precursor [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 13 no REF XP_001164037 . "PREDICTED: C-C motif chemokine 19 [Pan troglodytes]" . . . . . 100.00 98 98.70 100.00 6.68e-49 . . . . 19960 1 14 no REF XP_002819711 . "PREDICTED: C-C motif chemokine 19 isoform X2 [Pongo abelii]" . . . . . 100.00 98 97.40 97.40 6.82e-47 . . . . 19960 1 15 no REF XP_003829861 . "PREDICTED: C-C motif chemokine 19 [Pan paniscus]" . . . . . 100.00 98 98.70 100.00 6.68e-49 . . . . 19960 1 16 no REF XP_004048020 . "PREDICTED: c-C motif chemokine 19 [Gorilla gorilla gorilla]" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 1 17 no SP Q99731 . "RecName: Full=C-C motif chemokine 19; AltName: Full=Beta-chemokine exodus-3; AltName: Full=CK beta-11; AltName: Full=Epstein-Ba" . . . . . 100.00 98 100.00 100.00 2.04e-49 . . . . 19960 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 . 19960 1 2 . THR . 19960 1 3 . ASN . 19960 1 4 . ASP . 19960 1 5 . ALA . 19960 1 6 . GLU . 19960 1 7 . ASP . 19960 1 8 . CYS . 19960 1 9 . CYS . 19960 1 10 . LEU . 19960 1 11 . SER . 19960 1 12 . VAL . 19960 1 13 . THR . 19960 1 14 . GLN . 19960 1 15 . LYS . 19960 1 16 . PRO . 19960 1 17 . ILE . 19960 1 18 . PRO . 19960 1 19 . GLY . 19960 1 20 . TYR . 19960 1 21 . ILE . 19960 1 22 . VAL . 19960 1 23 . ARG . 19960 1 24 . ASN . 19960 1 25 . PHE . 19960 1 26 . HIS . 19960 1 27 . TYR . 19960 1 28 . LEU . 19960 1 29 . LEU . 19960 1 30 . ILE . 19960 1 31 . LYS . 19960 1 32 . ASP . 19960 1 33 . GLY . 19960 1 34 . CYS . 19960 1 35 . ARG . 19960 1 36 . VAL . 19960 1 37 . PRO . 19960 1 38 . ALA . 19960 1 39 . VAL . 19960 1 40 . VAL . 19960 1 41 . PHE . 19960 1 42 . THR . 19960 1 43 . THR . 19960 1 44 . LEU . 19960 1 45 . ARG . 19960 1 46 . GLY . 19960 1 47 . ARG . 19960 1 48 . GLN . 19960 1 49 . LEU . 19960 1 50 . CYS . 19960 1 51 . ALA . 19960 1 52 . PRO . 19960 1 53 . PRO . 19960 1 54 . ASP . 19960 1 55 . GLN . 19960 1 56 . PRO . 19960 1 57 . TRP . 19960 1 58 . VAL . 19960 1 59 . GLU . 19960 1 60 . ARG . 19960 1 61 . ILE . 19960 1 62 . ILE . 19960 1 63 . GLN . 19960 1 64 . ARG . 19960 1 65 . LEU . 19960 1 66 . GLN . 19960 1 67 . ARG . 19960 1 68 . THR . 19960 1 69 . SER . 19960 1 70 . ALA . 19960 1 71 . LYS . 19960 1 72 . MET . 19960 1 73 . LYS . 19960 1 74 . ARG . 19960 1 75 . ARG . 19960 1 76 . SER . 19960 1 77 . SER . 19960 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 19960 1 . THR 2 2 19960 1 . ASN 3 3 19960 1 . ASP 4 4 19960 1 . ALA 5 5 19960 1 . GLU 6 6 19960 1 . ASP 7 7 19960 1 . CYS 8 8 19960 1 . CYS 9 9 19960 1 . LEU 10 10 19960 1 . SER 11 11 19960 1 . VAL 12 12 19960 1 . THR 13 13 19960 1 . GLN 14 14 19960 1 . LYS 15 15 19960 1 . PRO 16 16 19960 1 . ILE 17 17 19960 1 . PRO 18 18 19960 1 . GLY 19 19 19960 1 . TYR 20 20 19960 1 . ILE 21 21 19960 1 . VAL 22 22 19960 1 . ARG 23 23 19960 1 . ASN 24 24 19960 1 . PHE 25 25 19960 1 . HIS 26 26 19960 1 . TYR 27 27 19960 1 . LEU 28 28 19960 1 . LEU 29 29 19960 1 . ILE 30 30 19960 1 . LYS 31 31 19960 1 . ASP 32 32 19960 1 . GLY 33 33 19960 1 . CYS 34 34 19960 1 . ARG 35 35 19960 1 . VAL 36 36 19960 1 . PRO 37 37 19960 1 . ALA 38 38 19960 1 . VAL 39 39 19960 1 . VAL 40 40 19960 1 . PHE 41 41 19960 1 . THR 42 42 19960 1 . THR 43 43 19960 1 . LEU 44 44 19960 1 . ARG 45 45 19960 1 . GLY 46 46 19960 1 . ARG 47 47 19960 1 . GLN 48 48 19960 1 . LEU 49 49 19960 1 . CYS 50 50 19960 1 . ALA 51 51 19960 1 . PRO 52 52 19960 1 . PRO 53 53 19960 1 . ASP 54 54 19960 1 . GLN 55 55 19960 1 . PRO 56 56 19960 1 . TRP 57 57 19960 1 . VAL 58 58 19960 1 . GLU 59 59 19960 1 . ARG 60 60 19960 1 . ILE 61 61 19960 1 . ILE 62 62 19960 1 . GLN 63 63 19960 1 . ARG 64 64 19960 1 . LEU 65 65 19960 1 . GLN 66 66 19960 1 . ARG 67 67 19960 1 . THR 68 68 19960 1 . SER 69 69 19960 1 . ALA 70 70 19960 1 . LYS 71 71 19960 1 . MET 72 72 19960 1 . LYS 73 73 19960 1 . ARG 74 74 19960 1 . ARG 75 75 19960 1 . SER 76 76 19960 1 . SER 77 77 19960 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 19960 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Human_Chemokine_CCL19 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19960 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 19960 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Human_Chemokine_CCL19 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE30-SMT3 . . . 19960 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 19960 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.515mM CCL19-U-15N/13C pH 5.6 25mM deuterated MES buffer' _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 'Human Chemokine CCL19' '[U-100% 13C; U-100% 15N]' . . 1 $Human_Chemokine_CCL19 . . 0.515 . . mM . . . . 19960 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 19960 1 3 'dueterated MES' '[U-100% 2H]' . . . . . . 25 . . mM . . . . 19960 1 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 19960 _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' 6 . mM 19960 1 pH 5.6 . pH 19960 1 pressure 1 . atm 19960 1 temperature 298 . K 19960 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 19960 _Software.ID 1 _Software.Name Xplor-NIH _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 19960 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19960 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 19960 _Software.ID 2 _Software.Name TopSpin _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 19960 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19960 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19960 _Software.ID 3 _Software.Name nmrPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 19960 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19960 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19960 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 19960 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19960 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 19960 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 19960 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19960 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19960 _Software.ID 6 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R.' . . 19960 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19960 6 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 19960 _Software.ID 7 _Software.Name Cyana _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 19960 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 19960 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 19960 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19960 _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 NMR_spectrometer Bruker DRX . 600 . 1 $citations 19960 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 19960 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 19960 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 19960 1 3 '3D 13C-separated NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 19960 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 19960 _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 . . . . . . . . . 19960 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19960 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19960 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19960 _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 '3D 15N-separated NOESY' . . . 19960 1 2 '3D 13C-separated NOESY' . . . 19960 1 3 '3D 13C-separated NOESY (AROMATIC)' . . . 19960 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 4.030 0.02 . 1 . . . A 1 GLY HA2 . 19960 1 2 . 1 1 1 1 GLY HA3 H 1 4.030 0.02 . 1 . . . A 1 GLY HA3 . 19960 1 3 . 1 1 1 1 GLY CA C 13 43.816 0.1 . 1 . . . A 1 GLY CA . 19960 1 4 . 1 1 2 2 THR H H 1 8.668 0.02 . 1 . . . A 2 THR H . 19960 1 5 . 1 1 2 2 THR HA H 1 4.390 0.02 . 1 . . . A 2 THR HA . 19960 1 6 . 1 1 2 2 THR HB H 1 4.289 0.02 . 1 . . . A 2 THR HB . 19960 1 7 . 1 1 2 2 THR HG21 H 1 1.278 0.02 . 1 . . . A 2 THR QG2 . 19960 1 8 . 1 1 2 2 THR HG22 H 1 1.278 0.02 . 1 . . . A 2 THR QG2 . 19960 1 9 . 1 1 2 2 THR HG23 H 1 1.278 0.02 . 1 . . . A 2 THR QG2 . 19960 1 10 . 1 1 2 2 THR CA C 13 62.880 0.1 . 1 . . . A 2 THR CA . 19960 1 11 . 1 1 2 2 THR CB C 13 69.901 0.1 . 1 . . . A 2 THR CB . 19960 1 12 . 1 1 2 2 THR CG2 C 13 21.888 0.1 . 1 . . . A 2 THR CG2 . 19960 1 13 . 1 1 2 2 THR N N 15 114.055 0.1 . 1 . . . A 2 THR N . 19960 1 14 . 1 1 3 3 ASN H H 1 8.692 0.02 . 1 . . . A 3 ASN H . 19960 1 15 . 1 1 3 3 ASN HA H 1 4.835 0.02 . 1 . . . A 3 ASN HA . 19960 1 16 . 1 1 3 3 ASN HB2 H 1 2.946 0.02 . 2 . . . A 3 ASN HB2 . 19960 1 17 . 1 1 3 3 ASN HB3 H 1 2.818 0.02 . 2 . . . A 3 ASN HB3 . 19960 1 18 . 1 1 3 3 ASN HD21 H 1 7.678 0.02 . 2 . . . A 3 ASN HD21 . 19960 1 19 . 1 1 3 3 ASN HD22 H 1 6.981 0.02 . 2 . . . A 3 ASN HD22 . 19960 1 20 . 1 1 3 3 ASN CA C 13 53.515 0.1 . 1 . . . A 3 ASN CA . 19960 1 21 . 1 1 3 3 ASN CB C 13 39.132 0.1 . 1 . . . A 3 ASN CB . 19960 1 22 . 1 1 3 3 ASN N N 15 120.488 0.1 . 1 . . . A 3 ASN N . 19960 1 23 . 1 1 3 3 ASN ND2 N 15 112.363 0.1 . 1 . . . A 3 ASN ND2 . 19960 1 24 . 1 1 4 4 ASP H H 1 8.247 0.02 . 1 . . . A 4 ASP H . 19960 1 25 . 1 1 4 4 ASP HA H 1 4.662 0.02 . 1 . . . A 4 ASP HA . 19960 1 26 . 1 1 4 4 ASP HB2 H 1 2.776 0.02 . 2 . . . A 4 ASP HB2 . 19960 1 27 . 1 1 4 4 ASP HB3 H 1 2.702 0.02 . 2 . . . A 4 ASP HB3 . 19960 1 28 . 1 1 4 4 ASP CA C 13 54.853 0.1 . 1 . . . A 4 ASP CA . 19960 1 29 . 1 1 4 4 ASP CB C 13 41.473 0.1 . 1 . . . A 4 ASP CB . 19960 1 30 . 1 1 4 4 ASP N N 15 120.690 0.1 . 1 . . . A 4 ASP N . 19960 1 31 . 1 1 5 5 ALA H H 1 8.243 0.02 . 1 . . . A 5 ALA H . 19960 1 32 . 1 1 5 5 ALA HA H 1 4.370 0.02 . 1 . . . A 5 ALA HA . 19960 1 33 . 1 1 5 5 ALA HB1 H 1 1.453 0.02 . 1 . . . A 5 ALA QB . 19960 1 34 . 1 1 5 5 ALA HB2 H 1 1.453 0.02 . 1 . . . A 5 ALA QB . 19960 1 35 . 1 1 5 5 ALA HB3 H 1 1.453 0.02 . 1 . . . A 5 ALA QB . 19960 1 36 . 1 1 5 5 ALA CA C 13 52.958 0.1 . 1 . . . A 5 ALA CA . 19960 1 37 . 1 1 5 5 ALA CB C 13 19.623 0.1 . 1 . . . A 5 ALA CB . 19960 1 38 . 1 1 5 5 ALA N N 15 123.647 0.1 . 1 . . . A 5 ALA N . 19960 1 39 . 1 1 6 6 GLU H H 1 8.335 0.02 . 1 . . . A 6 GLU H . 19960 1 40 . 1 1 6 6 GLU HA H 1 4.329 0.02 . 1 . . . A 6 GLU HA . 19960 1 41 . 1 1 6 6 GLU HB2 H 1 2.115 0.02 . 2 . . . A 6 GLU HB2 . 19960 1 42 . 1 1 6 6 GLU HB3 H 1 1.992 0.02 . 2 . . . A 6 GLU HB3 . 19960 1 43 . 1 1 6 6 GLU HG2 H 1 2.346 0.02 . 1 . . . A 6 GLU HG2 . 19960 1 44 . 1 1 6 6 GLU HG3 H 1 2.346 0.02 . 1 . . . A 6 GLU HG3 . 19960 1 45 . 1 1 6 6 GLU CA C 13 56.860 0.1 . 1 . . . A 6 GLU CA . 19960 1 46 . 1 1 6 6 GLU CB C 13 30.436 0.1 . 1 . . . A 6 GLU CB . 19960 1 47 . 1 1 6 6 GLU CG C 13 35.978 0.1 . 1 . . . A 6 GLU CG . 19960 1 48 . 1 1 6 6 GLU N N 15 119.584 0.1 . 1 . . . A 6 GLU N . 19960 1 49 . 1 1 7 7 ASP H H 1 8.377 0.02 . 1 . . . A 7 ASP H . 19960 1 50 . 1 1 7 7 ASP HA H 1 4.723 0.02 . 1 . . . A 7 ASP HA . 19960 1 51 . 1 1 7 7 ASP HB2 H 1 2.806 0.02 . 2 . . . A 7 ASP HB2 . 19960 1 52 . 1 1 7 7 ASP HB3 H 1 2.681 0.02 . 2 . . . A 7 ASP HB3 . 19960 1 53 . 1 1 7 7 ASP CA C 13 54.407 0.1 . 1 . . . A 7 ASP CA . 19960 1 54 . 1 1 7 7 ASP CB C 13 41.473 0.1 . 1 . . . A 7 ASP CB . 19960 1 55 . 1 1 7 7 ASP N N 15 120.581 0.1 . 1 . . . A 7 ASP N . 19960 1 56 . 1 1 8 8 CYS H H 1 8.036 0.02 . 1 . . . A 8 CYS H . 19960 1 57 . 1 1 8 8 CYS HA H 1 4.514 0.02 . 1 . . . A 8 CYS HA . 19960 1 58 . 1 1 8 8 CYS HB2 H 1 3.352 0.02 . 2 . . . A 8 CYS HB2 . 19960 1 59 . 1 1 8 8 CYS HB3 H 1 2.787 0.02 . 2 . . . A 8 CYS HB3 . 19960 1 60 . 1 1 8 8 CYS CA C 13 55.968 0.1 . 1 . . . A 8 CYS CA . 19960 1 61 . 1 1 8 8 CYS CB C 13 39.801 0.1 . 1 . . . A 8 CYS CB . 19960 1 62 . 1 1 8 8 CYS N N 15 116.978 0.1 . 1 . . . A 8 CYS N . 19960 1 63 . 1 1 9 9 CYS H H 1 8.519 0.02 . 1 . . . A 9 CYS H . 19960 1 64 . 1 1 9 9 CYS HA H 1 4.627 0.02 . 1 . . . A 9 CYS HA . 19960 1 65 . 1 1 9 9 CYS HB2 H 1 3.093 0.02 . 1 . . . A 9 CYS HB2 . 19960 1 66 . 1 1 9 9 CYS HB3 H 1 3.093 0.02 . 1 . . . A 9 CYS HB3 . 19960 1 67 . 1 1 9 9 CYS CA C 13 57.640 0.1 . 1 . . . A 9 CYS CA . 19960 1 68 . 1 1 9 9 CYS CB C 13 44.200 0.1 . 1 . . . A 9 CYS CB . 19960 1 69 . 1 1 9 9 CYS N N 15 119.855 0.1 . 1 . . . A 9 CYS N . 19960 1 70 . 1 1 10 10 LEU H H 1 8.941 0.02 . 1 . . . A 10 LEU H . 19960 1 71 . 1 1 10 10 LEU HA H 1 4.389 0.02 . 1 . . . A 10 LEU HA . 19960 1 72 . 1 1 10 10 LEU HB2 H 1 1.769 0.02 . 2 . . . A 10 LEU HB2 . 19960 1 73 . 1 1 10 10 LEU HB3 H 1 1.705 0.02 . 2 . . . A 10 LEU HB3 . 19960 1 74 . 1 1 10 10 LEU HG H 1 1.750 0.02 . 1 . . . A 10 LEU HG . 19960 1 75 . 1 1 10 10 LEU HD11 H 1 1.010 0.02 . 2 . . . A 10 LEU QD1 . 19960 1 76 . 1 1 10 10 LEU HD12 H 1 1.010 0.02 . 2 . . . A 10 LEU QD1 . 19960 1 77 . 1 1 10 10 LEU HD13 H 1 1.010 0.02 . 2 . . . A 10 LEU QD1 . 19960 1 78 . 1 1 10 10 LEU HD21 H 1 0.914 0.02 . 2 . . . A 10 LEU QD2 . 19960 1 79 . 1 1 10 10 LEU HD22 H 1 0.914 0.02 . 2 . . . A 10 LEU QD2 . 19960 1 80 . 1 1 10 10 LEU HD23 H 1 0.914 0.02 . 2 . . . A 10 LEU QD2 . 19960 1 81 . 1 1 10 10 LEU CA C 13 56.024 0.1 . 1 . . . A 10 LEU CA . 19960 1 82 . 1 1 10 10 LEU CB C 13 42.811 0.1 . 1 . . . A 10 LEU CB . 19960 1 83 . 1 1 10 10 LEU CG C 13 27.797 0.1 . 1 . . . A 10 LEU CG . 19960 1 84 . 1 1 10 10 LEU CD1 C 13 25.183 0.1 . 1 . . . A 10 LEU CD1 . 19960 1 85 . 1 1 10 10 LEU CD2 C 13 23.365 0.1 . 1 . . . A 10 LEU CD2 . 19960 1 86 . 1 1 10 10 LEU N N 15 122.580 0.1 . 1 . . . A 10 LEU N . 19960 1 87 . 1 1 11 11 SER H H 1 7.825 0.02 . 1 . . . A 11 SER H . 19960 1 88 . 1 1 11 11 SER HA H 1 4.603 0.02 . 1 . . . A 11 SER HA . 19960 1 89 . 1 1 11 11 SER HB2 H 1 3.930 0.02 . 1 . . . A 11 SER HB2 . 19960 1 90 . 1 1 11 11 SER HB3 H 1 3.930 0.02 . 1 . . . A 11 SER HB3 . 19960 1 91 . 1 1 11 11 SER CA C 13 57.027 0.1 . 1 . . . A 11 SER CA . 19960 1 92 . 1 1 11 11 SER CB C 13 65.107 0.1 . 1 . . . A 11 SER CB . 19960 1 93 . 1 1 11 11 SER N N 15 111.403 0.1 . 1 . . . A 11 SER N . 19960 1 94 . 1 1 12 12 VAL H H 1 8.348 0.02 . 1 . . . A 12 VAL H . 19960 1 95 . 1 1 12 12 VAL HA H 1 4.598 0.02 . 1 . . . A 12 VAL HA . 19960 1 96 . 1 1 12 12 VAL HB H 1 1.886 0.02 . 1 . . . A 12 VAL HB . 19960 1 97 . 1 1 12 12 VAL HG11 H 1 0.817 0.02 . 2 . . . A 12 VAL QG1 . 19960 1 98 . 1 1 12 12 VAL HG12 H 1 0.817 0.02 . 2 . . . A 12 VAL QG1 . 19960 1 99 . 1 1 12 12 VAL HG13 H 1 0.817 0.02 . 2 . . . A 12 VAL QG1 . 19960 1 100 . 1 1 12 12 VAL HG21 H 1 0.890 0.02 . 2 . . . A 12 VAL QG2 . 19960 1 101 . 1 1 12 12 VAL HG22 H 1 0.890 0.02 . 2 . . . A 12 VAL QG2 . 19960 1 102 . 1 1 12 12 VAL HG23 H 1 0.890 0.02 . 2 . . . A 12 VAL QG2 . 19960 1 103 . 1 1 12 12 VAL CA C 13 60.037 0.1 . 1 . . . A 12 VAL CA . 19960 1 104 . 1 1 12 12 VAL CB C 13 35.230 0.1 . 1 . . . A 12 VAL CB . 19960 1 105 . 1 1 12 12 VAL CG1 C 13 22.456 0.1 . 1 . . . A 12 VAL CG1 . 19960 1 106 . 1 1 12 12 VAL CG2 C 13 19.389 0.1 . 1 . . . A 12 VAL CG2 . 19960 1 107 . 1 1 12 12 VAL N N 15 114.616 0.1 . 1 . . . A 12 VAL N . 19960 1 108 . 1 1 13 13 THR H H 1 8.519 0.02 . 1 . . . A 13 THR H . 19960 1 109 . 1 1 13 13 THR HA H 1 4.575 0.02 . 1 . . . A 13 THR HA . 19960 1 110 . 1 1 13 13 THR HB H 1 4.465 0.02 . 1 . . . A 13 THR HB . 19960 1 111 . 1 1 13 13 THR HG21 H 1 1.620 0.02 . 1 . . . A 13 THR QG2 . 19960 1 112 . 1 1 13 13 THR HG22 H 1 1.620 0.02 . 1 . . . A 13 THR QG2 . 19960 1 113 . 1 1 13 13 THR HG23 H 1 1.620 0.02 . 1 . . . A 13 THR QG2 . 19960 1 114 . 1 1 13 13 THR CA C 13 62.211 0.1 . 1 . . . A 13 THR CA . 19960 1 115 . 1 1 13 13 THR CB C 13 70.124 0.1 . 1 . . . A 13 THR CB . 19960 1 116 . 1 1 13 13 THR CG2 C 13 20.979 0.1 . 1 . . . A 13 THR CG2 . 19960 1 117 . 1 1 13 13 THR N N 15 118.420 0.1 . 1 . . . A 13 THR N . 19960 1 118 . 1 1 14 14 GLN H H 1 8.572 0.02 . 1 . . . A 14 GLN H . 19960 1 119 . 1 1 14 14 GLN HA H 1 4.649 0.02 . 1 . . . A 14 GLN HA . 19960 1 120 . 1 1 14 14 GLN HB2 H 1 2.462 0.02 . 2 . . . A 14 GLN HB2 . 19960 1 121 . 1 1 14 14 GLN HB3 H 1 2.052 0.02 . 2 . . . A 14 GLN HB3 . 19960 1 122 . 1 1 14 14 GLN HG2 H 1 2.606 0.02 . 2 . . . A 14 GLN HG2 . 19960 1 123 . 1 1 14 14 GLN HG3 H 1 2.537 0.02 . 2 . . . A 14 GLN HG3 . 19960 1 124 . 1 1 14 14 GLN HE21 H 1 7.612 0.02 . 2 . . . A 14 GLN HE21 . 19960 1 125 . 1 1 14 14 GLN HE22 H 1 7.007 0.02 . 2 . . . A 14 GLN HE22 . 19960 1 126 . 1 1 14 14 GLN CA C 13 56.024 0.1 . 1 . . . A 14 GLN CA . 19960 1 127 . 1 1 14 14 GLN CB C 13 29.991 0.1 . 1 . . . A 14 GLN CB . 19960 1 128 . 1 1 14 14 GLN CG C 13 34.046 0.1 . 1 . . . A 14 GLN CG . 19960 1 129 . 1 1 14 14 GLN N N 15 122.597 0.1 . 1 . . . A 14 GLN N . 19960 1 130 . 1 1 14 14 GLN NE2 N 15 112.706 0.1 . 1 . . . A 14 GLN NE2 . 19960 1 131 . 1 1 15 15 LYS H H 1 7.931 0.02 . 1 . . . A 15 LYS H . 19960 1 132 . 1 1 15 15 LYS HA H 1 4.606 0.02 . 1 . . . A 15 LYS HA . 19960 1 133 . 1 1 15 15 LYS HB2 H 1 1.736 0.02 . 2 . . . A 15 LYS HB2 . 19960 1 134 . 1 1 15 15 LYS HB3 H 1 1.679 0.02 . 2 . . . A 15 LYS HB3 . 19960 1 135 . 1 1 15 15 LYS HG2 H 1 1.413 0.02 . 1 . . . A 15 LYS HG2 . 19960 1 136 . 1 1 15 15 LYS HG3 H 1 1.413 0.02 . 1 . . . A 15 LYS HG3 . 19960 1 137 . 1 1 15 15 LYS HD2 H 1 1.706 0.02 . 1 . . . A 15 LYS HD2 . 19960 1 138 . 1 1 15 15 LYS HD3 H 1 1.706 0.02 . 1 . . . A 15 LYS HD3 . 19960 1 139 . 1 1 15 15 LYS HE2 H 1 3.030 0.02 . 1 . . . A 15 LYS HE2 . 19960 1 140 . 1 1 15 15 LYS HE3 H 1 3.030 0.02 . 1 . . . A 15 LYS HE3 . 19960 1 141 . 1 1 15 15 LYS CA C 13 53.516 0.1 . 1 . . . A 15 LYS CA . 19960 1 142 . 1 1 15 15 LYS CB C 13 33.131 0.1 . 1 . . . A 15 LYS CB . 19960 1 143 . 1 1 15 15 LYS CG C 13 24.719 0.1 . 1 . . . A 15 LYS CG . 19960 1 144 . 1 1 15 15 LYS CD C 13 29.249 0.1 . 1 . . . A 15 LYS CD . 19960 1 145 . 1 1 15 15 LYS CE C 13 42.191 0.1 . 1 . . . A 15 LYS CE . 19960 1 146 . 1 1 15 15 LYS N N 15 123.136 0.1 . 1 . . . A 15 LYS N . 19960 1 147 . 1 1 16 16 PRO HA H 1 4.870 0.02 . 1 . . . A 16 PRO HA . 19960 1 148 . 1 1 16 16 PRO HB2 H 1 2.463 0.02 . 2 . . . A 16 PRO HB2 . 19960 1 149 . 1 1 16 16 PRO HB3 H 1 2.064 0.02 . 2 . . . A 16 PRO HB3 . 19960 1 150 . 1 1 16 16 PRO HG2 H 1 2.285 0.02 . 2 . . . A 16 PRO HG2 . 19960 1 151 . 1 1 16 16 PRO HG3 H 1 2.162 0.02 . 2 . . . A 16 PRO HG3 . 19960 1 152 . 1 1 16 16 PRO HD2 H 1 4.175 0.02 . 2 . . . A 16 PRO HD2 . 19960 1 153 . 1 1 16 16 PRO HD3 H 1 3.555 0.02 . 2 . . . A 16 PRO HD3 . 19960 1 154 . 1 1 16 16 PRO CA C 13 60.310 0.1 . 1 . . . A 16 PRO CA . 19960 1 155 . 1 1 16 16 PRO CB C 13 31.837 0.1 . 1 . . . A 16 PRO CB . 19960 1 156 . 1 1 16 16 PRO CG C 13 27.954 0.1 . 1 . . . A 16 PRO CG . 19960 1 157 . 1 1 16 16 PRO CD C 13 50.604 0.1 . 1 . . . A 16 PRO CD . 19960 1 158 . 1 1 17 17 ILE HA H 1 4.378 0.02 . 1 . . . A 17 ILE HA . 19960 1 159 . 1 1 17 17 ILE HB H 1 1.616 0.02 . 1 . . . A 17 ILE HB . 19960 1 160 . 1 1 17 17 ILE HG12 H 1 1.573 0.02 . 2 . . . A 17 ILE HG12 . 19960 1 161 . 1 1 17 17 ILE HG13 H 1 1.087 0.02 . 2 . . . A 17 ILE HG13 . 19960 1 162 . 1 1 17 17 ILE HG21 H 1 0.839 0.02 . 1 . . . A 17 ILE QG2 . 19960 1 163 . 1 1 17 17 ILE HG22 H 1 0.839 0.02 . 1 . . . A 17 ILE QG2 . 19960 1 164 . 1 1 17 17 ILE HG23 H 1 0.839 0.02 . 1 . . . A 17 ILE QG2 . 19960 1 165 . 1 1 17 17 ILE HD11 H 1 0.889 0.02 . 1 . . . A 17 ILE QD1 . 19960 1 166 . 1 1 17 17 ILE HD12 H 1 0.889 0.02 . 1 . . . A 17 ILE QD1 . 19960 1 167 . 1 1 17 17 ILE HD13 H 1 0.889 0.02 . 1 . . . A 17 ILE QD1 . 19960 1 168 . 1 1 17 17 ILE CA C 13 57.722 0.1 . 1 . . . A 17 ILE CA . 19960 1 169 . 1 1 17 17 ILE CB C 13 40.250 0.1 . 1 . . . A 17 ILE CB . 19960 1 170 . 1 1 17 17 ILE CG1 C 13 26.337 0.1 . 1 . . . A 17 ILE CG1 . 19960 1 171 . 1 1 17 17 ILE CG2 C 13 17.600 0.1 . 1 . . . A 17 ILE CG2 . 19960 1 172 . 1 1 17 17 ILE CD1 C 13 15.335 0.1 . 1 . . . A 17 ILE CD1 . 19960 1 173 . 1 1 18 18 PRO HA H 1 4.306 0.02 . 1 . . . A 18 PRO HA . 19960 1 174 . 1 1 18 18 PRO HB2 H 1 2.167 0.02 . 2 . . . A 18 PRO HB2 . 19960 1 175 . 1 1 18 18 PRO HB3 H 1 1.354 0.02 . 2 . . . A 18 PRO HB3 . 19960 1 176 . 1 1 18 18 PRO HG2 H 1 1.937 0.02 . 1 . . . A 18 PRO HG2 . 19960 1 177 . 1 1 18 18 PRO HG3 H 1 1.937 0.02 . 1 . . . A 18 PRO HG3 . 19960 1 178 . 1 1 18 18 PRO HD2 H 1 3.705 0.02 . 2 . . . A 18 PRO HD2 . 19960 1 179 . 1 1 18 18 PRO HD3 H 1 3.460 0.02 . 2 . . . A 18 PRO HD3 . 19960 1 180 . 1 1 18 18 PRO CA C 13 62.545 0.1 . 1 . . . A 18 PRO CA . 19960 1 181 . 1 1 18 18 PRO CB C 13 32.332 0.1 . 1 . . . A 18 PRO CB . 19960 1 182 . 1 1 18 18 PRO CG C 13 27.797 0.1 . 1 . . . A 18 PRO CG . 19960 1 183 . 1 1 18 18 PRO CD C 13 50.600 0.1 . 1 . . . A 18 PRO CD . 19960 1 184 . 1 1 19 19 GLY H H 1 8.523 0.02 . 1 . . . A 19 GLY H . 19960 1 185 . 1 1 19 19 GLY HA2 H 1 4.030 0.02 . 2 . . . A 19 GLY HA2 . 19960 1 186 . 1 1 19 19 GLY HA3 H 1 3.532 0.02 . 2 . . . A 19 GLY HA3 . 19960 1 187 . 1 1 19 19 GLY CA C 13 47.941 0.1 . 1 . . . A 19 GLY CA . 19960 1 188 . 1 1 19 19 GLY N N 15 109.460 0.1 . 1 . . . A 19 GLY N . 19960 1 189 . 1 1 20 20 TYR H H 1 7.429 0.02 . 1 . . . A 20 TYR H . 19960 1 190 . 1 1 20 20 TYR HA H 1 4.516 0.02 . 1 . . . A 20 TYR HA . 19960 1 191 . 1 1 20 20 TYR HB2 H 1 3.370 0.02 . 2 . . . A 20 TYR HB2 . 19960 1 192 . 1 1 20 20 TYR HB3 H 1 3.038 0.02 . 2 . . . A 20 TYR HB3 . 19960 1 193 . 1 1 20 20 TYR HD1 H 1 7.145 0.02 . 1 . . . A 20 TYR HD1 . 19960 1 194 . 1 1 20 20 TYR HD2 H 1 7.145 0.02 . 1 . . . A 20 TYR HD2 . 19960 1 195 . 1 1 20 20 TYR HE1 H 1 6.886 0.02 . 1 . . . A 20 TYR HE1 . 19960 1 196 . 1 1 20 20 TYR HE2 H 1 6.886 0.02 . 1 . . . A 20 TYR HE2 . 19960 1 197 . 1 1 20 20 TYR CA C 13 58.643 0.1 . 1 . . . A 20 TYR CA . 19960 1 198 . 1 1 20 20 TYR CB C 13 37.125 0.1 . 1 . . . A 20 TYR CB . 19960 1 199 . 1 1 20 20 TYR CD2 C 13 133.600 0.1 . 1 . . . A 20 TYR CD2 . 19960 1 200 . 1 1 20 20 TYR CE2 C 13 119.105 0.1 . 1 . . . A 20 TYR CE2 . 19960 1 201 . 1 1 20 20 TYR N N 15 114.046 0.1 . 1 . . . A 20 TYR N . 19960 1 202 . 1 1 21 21 ILE H H 1 6.841 0.02 . 1 . . . A 21 ILE H . 19960 1 203 . 1 1 21 21 ILE HA H 1 4.547 0.02 . 1 . . . A 21 ILE HA . 19960 1 204 . 1 1 21 21 ILE HB H 1 2.269 0.02 . 1 . . . A 21 ILE HB . 19960 1 205 . 1 1 21 21 ILE HG12 H 1 1.455 0.02 . 2 . . . A 21 ILE HG12 . 19960 1 206 . 1 1 21 21 ILE HG13 H 1 1.087 0.02 . 2 . . . A 21 ILE HG13 . 19960 1 207 . 1 1 21 21 ILE HG21 H 1 0.754 0.02 . 1 . . . A 21 ILE QG2 . 19960 1 208 . 1 1 21 21 ILE HG22 H 1 0.754 0.02 . 1 . . . A 21 ILE QG2 . 19960 1 209 . 1 1 21 21 ILE HG23 H 1 0.754 0.02 . 1 . . . A 21 ILE QG2 . 19960 1 210 . 1 1 21 21 ILE HD11 H 1 0.906 0.02 . 1 . . . A 21 ILE QD1 . 19960 1 211 . 1 1 21 21 ILE HD12 H 1 0.906 0.02 . 1 . . . A 21 ILE QD1 . 19960 1 212 . 1 1 21 21 ILE HD13 H 1 0.906 0.02 . 1 . . . A 21 ILE QD1 . 19960 1 213 . 1 1 21 21 ILE CA C 13 61.430 0.1 . 1 . . . A 21 ILE CA . 19960 1 214 . 1 1 21 21 ILE CB C 13 39.132 0.1 . 1 . . . A 21 ILE CB . 19960 1 215 . 1 1 21 21 ILE CG1 C 13 26.320 0.1 . 1 . . . A 21 ILE CG1 . 19960 1 216 . 1 1 21 21 ILE CG2 C 13 17.798 0.1 . 1 . . . A 21 ILE CG2 . 19960 1 217 . 1 1 21 21 ILE CD1 C 13 14.276 0.1 . 1 . . . A 21 ILE CD1 . 19960 1 218 . 1 1 21 21 ILE N N 15 114.194 0.1 . 1 . . . A 21 ILE N . 19960 1 219 . 1 1 22 22 VAL H H 1 7.445 0.02 . 1 . . . A 22 VAL H . 19960 1 220 . 1 1 22 22 VAL HA H 1 3.825 0.02 . 1 . . . A 22 VAL HA . 19960 1 221 . 1 1 22 22 VAL HB H 1 1.982 0.02 . 1 . . . A 22 VAL HB . 19960 1 222 . 1 1 22 22 VAL HG11 H 1 0.574 0.02 . 2 . . . A 22 VAL QG1 . 19960 1 223 . 1 1 22 22 VAL HG12 H 1 0.574 0.02 . 2 . . . A 22 VAL QG1 . 19960 1 224 . 1 1 22 22 VAL HG13 H 1 0.574 0.02 . 2 . . . A 22 VAL QG1 . 19960 1 225 . 1 1 22 22 VAL HG21 H 1 0.918 0.02 . 2 . . . A 22 VAL QG2 . 19960 1 226 . 1 1 22 22 VAL HG22 H 1 0.918 0.02 . 2 . . . A 22 VAL QG2 . 19960 1 227 . 1 1 22 22 VAL HG23 H 1 0.918 0.02 . 2 . . . A 22 VAL QG2 . 19960 1 228 . 1 1 22 22 VAL CA C 13 64.608 0.1 . 1 . . . A 22 VAL CA . 19960 1 229 . 1 1 22 22 VAL CB C 13 32.332 0.1 . 1 . . . A 22 VAL CB . 19960 1 230 . 1 1 22 22 VAL CG1 C 13 22.570 0.1 . 1 . . . A 22 VAL CG1 . 19960 1 231 . 1 1 22 22 VAL CG2 C 13 23.748 0.1 . 1 . . . A 22 VAL CG2 . 19960 1 232 . 1 1 22 22 VAL N N 15 121.459 0.1 . 1 . . . A 22 VAL N . 19960 1 233 . 1 1 23 23 ARG H H 1 9.418 0.02 . 1 . . . A 23 ARG H . 19960 1 234 . 1 1 23 23 ARG HA H 1 4.599 0.02 . 1 . . . A 23 ARG HA . 19960 1 235 . 1 1 23 23 ARG HB2 H 1 1.732 0.02 . 2 . . . A 23 ARG HB2 . 19960 1 236 . 1 1 23 23 ARG HB3 H 1 1.675 0.02 . 2 . . . A 23 ARG HB3 . 19960 1 237 . 1 1 23 23 ARG HG2 H 1 1.677 0.02 . 2 . . . A 23 ARG HG2 . 19960 1 238 . 1 1 23 23 ARG HG3 H 1 1.590 0.02 . 2 . . . A 23 ARG HG3 . 19960 1 239 . 1 1 23 23 ARG HD2 H 1 3.308 0.02 . 2 . . . A 23 ARG HD2 . 19960 1 240 . 1 1 23 23 ARG HD3 H 1 3.239 0.02 . 2 . . . A 23 ARG HD3 . 19960 1 241 . 1 1 23 23 ARG CA C 13 56.302 0.1 . 1 . . . A 23 ARG CA . 19960 1 242 . 1 1 23 23 ARG CB C 13 33.455 0.1 . 1 . . . A 23 ARG CB . 19960 1 243 . 1 1 23 23 ARG CG C 13 26.774 0.1 . 1 . . . A 23 ARG CG . 19960 1 244 . 1 1 23 23 ARG CD C 13 43.818 0.1 . 1 . . . A 23 ARG CD . 19960 1 245 . 1 1 23 23 ARG N N 15 125.455 0.1 . 1 . . . A 23 ARG N . 19960 1 246 . 1 1 24 24 ASN H H 1 8.007 0.02 . 1 . . . A 24 ASN H . 19960 1 247 . 1 1 24 24 ASN HA H 1 5.074 0.02 . 1 . . . A 24 ASN HA . 19960 1 248 . 1 1 24 24 ASN HB2 H 1 2.963 0.02 . 2 . . . A 24 ASN HB2 . 19960 1 249 . 1 1 24 24 ASN HB3 H 1 2.873 0.02 . 2 . . . A 24 ASN HB3 . 19960 1 250 . 1 1 24 24 ASN HD21 H 1 7.676 0.02 . 2 . . . A 24 ASN HD21 . 19960 1 251 . 1 1 24 24 ASN HD22 H 1 7.001 0.02 . 2 . . . A 24 ASN HD22 . 19960 1 252 . 1 1 24 24 ASN CA C 13 52.735 0.1 . 1 . . . A 24 ASN CA . 19960 1 253 . 1 1 24 24 ASN CB C 13 42.254 0.1 . 1 . . . A 24 ASN CB . 19960 1 254 . 1 1 24 24 ASN N N 15 114.237 0.1 . 1 . . . A 24 ASN N . 19960 1 255 . 1 1 24 24 ASN ND2 N 15 113.200 0.1 . 1 . . . A 24 ASN ND2 . 19960 1 256 . 1 1 25 25 PHE H H 1 8.592 0.02 . 1 . . . A 25 PHE H . 19960 1 257 . 1 1 25 25 PHE HA H 1 6.029 0.02 . 1 . . . A 25 PHE HA . 19960 1 258 . 1 1 25 25 PHE HB2 H 1 2.944 0.02 . 2 . . . A 25 PHE HB2 . 19960 1 259 . 1 1 25 25 PHE HB3 H 1 2.632 0.02 . 2 . . . A 25 PHE HB3 . 19960 1 260 . 1 1 25 25 PHE HD1 H 1 7.165 0.02 . 1 . . . A 25 PHE HD1 . 19960 1 261 . 1 1 25 25 PHE HD2 H 1 7.165 0.02 . 1 . . . A 25 PHE HD2 . 19960 1 262 . 1 1 25 25 PHE HE1 H 1 6.752 0.02 . 1 . . . A 25 PHE HE1 . 19960 1 263 . 1 1 25 25 PHE HE2 H 1 6.752 0.02 . 1 . . . A 25 PHE HE2 . 19960 1 264 . 1 1 25 25 PHE HZ H 1 7.392 0.02 . 1 . . . A 25 PHE HZ . 19960 1 265 . 1 1 25 25 PHE CA C 13 56.135 0.1 . 1 . . . A 25 PHE CA . 19960 1 266 . 1 1 25 25 PHE CB C 13 44.483 0.1 . 1 . . . A 25 PHE CB . 19960 1 267 . 1 1 25 25 PHE CD1 C 13 131.530 0.1 . 1 . . . A 25 PHE CD1 . 19960 1 268 . 1 1 25 25 PHE CE1 C 13 131.530 0.1 . 1 . . . A 25 PHE CE1 . 19960 1 269 . 1 1 25 25 PHE CZ C 13 131.271 0.1 . 1 . . . A 25 PHE CZ . 19960 1 270 . 1 1 25 25 PHE N N 15 117.196 0.1 . 1 . . . A 25 PHE N . 19960 1 271 . 1 1 26 26 HIS H H 1 8.392 0.02 . 1 . . . A 26 HIS H . 19960 1 272 . 1 1 26 26 HIS HA H 1 4.416 0.02 . 1 . . . A 26 HIS HA . 19960 1 273 . 1 1 26 26 HIS HB2 H 1 3.219 0.02 . 2 . . . A 26 HIS HB2 . 19960 1 274 . 1 1 26 26 HIS HB3 H 1 3.154 0.02 . 2 . . . A 26 HIS HB3 . 19960 1 275 . 1 1 26 26 HIS HD2 H 1 7.097 0.02 . 1 . . . A 26 HIS HD2 . 19960 1 276 . 1 1 26 26 HIS HE1 H 1 8.474 0.02 . 1 . . . A 26 HIS HE1 . 19960 1 277 . 1 1 26 26 HIS CA C 13 55.355 0.1 . 1 . . . A 26 HIS CA . 19960 1 278 . 1 1 26 26 HIS CB C 13 31.551 0.1 . 1 . . . A 26 HIS CB . 19960 1 279 . 1 1 26 26 HIS CD2 C 13 120.400 0.1 . 1 . . . A 26 HIS CD2 . 19960 1 280 . 1 1 26 26 HIS CE1 C 13 136.707 0.1 . 1 . . . A 26 HIS CE1 . 19960 1 281 . 1 1 26 26 HIS N N 15 114.697 0.1 . 1 . . . A 26 HIS N . 19960 1 282 . 1 1 27 27 TYR H H 1 9.153 0.02 . 1 . . . A 27 TYR H . 19960 1 283 . 1 1 27 27 TYR HA H 1 4.813 0.02 . 1 . . . A 27 TYR HA . 19960 1 284 . 1 1 27 27 TYR HB2 H 1 2.998 0.02 . 1 . . . A 27 TYR HB2 . 19960 1 285 . 1 1 27 27 TYR HB3 H 1 2.998 0.02 . 1 . . . A 27 TYR HB3 . 19960 1 286 . 1 1 27 27 TYR HD1 H 1 7.238 0.02 . 1 . . . A 27 TYR HD1 . 19960 1 287 . 1 1 27 27 TYR HD2 H 1 7.238 0.02 . 1 . . . A 27 TYR HD2 . 19960 1 288 . 1 1 27 27 TYR HE1 H 1 6.852 0.02 . 1 . . . A 27 TYR HE1 . 19960 1 289 . 1 1 27 27 TYR HE2 H 1 6.852 0.02 . 1 . . . A 27 TYR HE2 . 19960 1 290 . 1 1 27 27 TYR CA C 13 59.535 0.1 . 1 . . . A 27 TYR CA . 19960 1 291 . 1 1 27 27 TYR CB C 13 40.024 0.1 . 1 . . . A 27 TYR CB . 19960 1 292 . 1 1 27 27 TYR CD2 C 13 133.083 0.1 . 1 . . . A 27 TYR CD2 . 19960 1 293 . 1 1 27 27 TYR CE2 C 13 118.329 0.1 . 1 . . . A 27 TYR CE2 . 19960 1 294 . 1 1 27 27 TYR N N 15 122.979 0.1 . 1 . . . A 27 TYR N . 19960 1 295 . 1 1 28 28 LEU H H 1 8.840 0.02 . 1 . . . A 28 LEU H . 19960 1 296 . 1 1 28 28 LEU HA H 1 4.730 0.02 . 1 . . . A 28 LEU HA . 19960 1 297 . 1 1 28 28 LEU HB2 H 1 1.834 0.02 . 2 . . . A 28 LEU HB2 . 19960 1 298 . 1 1 28 28 LEU HB3 H 1 1.620 0.02 . 2 . . . A 28 LEU HB3 . 19960 1 299 . 1 1 28 28 LEU HG H 1 1.511 0.02 . 1 . . . A 28 LEU HG . 19960 1 300 . 1 1 28 28 LEU HD11 H 1 0.972 0.02 . 2 . . . A 28 LEU QD1 . 19960 1 301 . 1 1 28 28 LEU HD12 H 1 0.972 0.02 . 2 . . . A 28 LEU QD1 . 19960 1 302 . 1 1 28 28 LEU HD13 H 1 0.972 0.02 . 2 . . . A 28 LEU QD1 . 19960 1 303 . 1 1 28 28 LEU HD21 H 1 1.003 0.02 . 2 . . . A 28 LEU QD2 . 19960 1 304 . 1 1 28 28 LEU HD22 H 1 1.003 0.02 . 2 . . . A 28 LEU QD2 . 19960 1 305 . 1 1 28 28 LEU HD23 H 1 1.003 0.02 . 2 . . . A 28 LEU QD2 . 19960 1 306 . 1 1 28 28 LEU CA C 13 54.630 0.1 . 1 . . . A 28 LEU CA . 19960 1 307 . 1 1 28 28 LEU CB C 13 44.595 0.1 . 1 . . . A 28 LEU CB . 19960 1 308 . 1 1 28 28 LEU CG C 13 27.001 0.1 . 1 . . . A 28 LEU CG . 19960 1 309 . 1 1 28 28 LEU CD1 C 13 26.888 0.1 . 1 . . . A 28 LEU CD1 . 19960 1 310 . 1 1 28 28 LEU CD2 C 13 24.161 0.1 . 1 . . . A 28 LEU CD2 . 19960 1 311 . 1 1 28 28 LEU N N 15 125.472 0.1 . 1 . . . A 28 LEU N . 19960 1 312 . 1 1 29 29 LEU H H 1 9.435 0.02 . 1 . . . A 29 LEU H . 19960 1 313 . 1 1 29 29 LEU HA H 1 4.710 0.02 . 1 . . . A 29 LEU HA . 19960 1 314 . 1 1 29 29 LEU HB2 H 1 1.956 0.02 . 2 . . . A 29 LEU HB2 . 19960 1 315 . 1 1 29 29 LEU HB3 H 1 1.756 0.02 . 2 . . . A 29 LEU HB3 . 19960 1 316 . 1 1 29 29 LEU HG H 1 1.775 0.02 . 1 . . . A 29 LEU HG . 19960 1 317 . 1 1 29 29 LEU HD11 H 1 0.890 0.02 . 2 . . . A 29 LEU QD1 . 19960 1 318 . 1 1 29 29 LEU HD12 H 1 0.890 0.02 . 2 . . . A 29 LEU QD1 . 19960 1 319 . 1 1 29 29 LEU HD13 H 1 0.890 0.02 . 2 . . . A 29 LEU QD1 . 19960 1 320 . 1 1 29 29 LEU HD21 H 1 0.957 0.02 . 2 . . . A 29 LEU QD2 . 19960 1 321 . 1 1 29 29 LEU HD22 H 1 0.957 0.02 . 2 . . . A 29 LEU QD2 . 19960 1 322 . 1 1 29 29 LEU HD23 H 1 0.957 0.02 . 2 . . . A 29 LEU QD2 . 19960 1 323 . 1 1 29 29 LEU CA C 13 53.794 0.1 . 1 . . . A 29 LEU CA . 19960 1 324 . 1 1 29 29 LEU CB C 13 43.814 0.1 . 1 . . . A 29 LEU CB . 19960 1 325 . 1 1 29 29 LEU CG C 13 27.797 0.1 . 1 . . . A 29 LEU CG . 19960 1 326 . 1 1 29 29 LEU CD1 C 13 25.524 0.1 . 1 . . . A 29 LEU CD1 . 19960 1 327 . 1 1 29 29 LEU CD2 C 13 22.911 0.1 . 1 . . . A 29 LEU CD2 . 19960 1 328 . 1 1 29 29 LEU N N 15 123.976 0.1 . 1 . . . A 29 LEU N . 19960 1 329 . 1 1 30 30 ILE H H 1 8.195 0.02 . 1 . . . A 30 ILE H . 19960 1 330 . 1 1 30 30 ILE HA H 1 4.365 0.02 . 1 . . . A 30 ILE HA . 19960 1 331 . 1 1 30 30 ILE HB H 1 1.929 0.02 . 1 . . . A 30 ILE HB . 19960 1 332 . 1 1 30 30 ILE HG12 H 1 1.527 0.02 . 2 . . . A 30 ILE HG12 . 19960 1 333 . 1 1 30 30 ILE HG13 H 1 1.356 0.02 . 2 . . . A 30 ILE HG13 . 19960 1 334 . 1 1 30 30 ILE HG21 H 1 0.952 0.02 . 1 . . . A 30 ILE QG2 . 19960 1 335 . 1 1 30 30 ILE HG22 H 1 0.952 0.02 . 1 . . . A 30 ILE QG2 . 19960 1 336 . 1 1 30 30 ILE HG23 H 1 0.952 0.02 . 1 . . . A 30 ILE QG2 . 19960 1 337 . 1 1 30 30 ILE HD11 H 1 0.913 0.02 . 1 . . . A 30 ILE QD1 . 19960 1 338 . 1 1 30 30 ILE HD12 H 1 0.913 0.02 . 1 . . . A 30 ILE QD1 . 19960 1 339 . 1 1 30 30 ILE HD13 H 1 0.913 0.02 . 1 . . . A 30 ILE QD1 . 19960 1 340 . 1 1 30 30 ILE CA C 13 64.273 0.1 . 1 . . . A 30 ILE CA . 19960 1 341 . 1 1 30 30 ILE CB C 13 37.348 0.1 . 1 . . . A 30 ILE CB . 19960 1 342 . 1 1 30 30 ILE CG1 C 13 29.047 0.1 . 1 . . . A 30 ILE CG1 . 19960 1 343 . 1 1 30 30 ILE CG2 C 13 17.584 0.1 . 1 . . . A 30 ILE CG2 . 19960 1 344 . 1 1 30 30 ILE CD1 C 13 12.684 0.1 . 1 . . . A 30 ILE CD1 . 19960 1 345 . 1 1 30 30 ILE N N 15 123.633 0.1 . 1 . . . A 30 ILE N . 19960 1 346 . 1 1 31 31 LYS H H 1 8.269 0.02 . 1 . . . A 31 LYS H . 19960 1 347 . 1 1 31 31 LYS HA H 1 4.317 0.02 . 1 . . . A 31 LYS HA . 19960 1 348 . 1 1 31 31 LYS HB2 H 1 1.912 0.02 . 1 . . . A 31 LYS HB2 . 19960 1 349 . 1 1 31 31 LYS HB3 H 1 1.912 0.02 . 1 . . . A 31 LYS HB3 . 19960 1 350 . 1 1 31 31 LYS HG2 H 1 1.445 0.02 . 2 . . . A 31 LYS HG2 . 19960 1 351 . 1 1 31 31 LYS HG3 H 1 1.367 0.02 . 2 . . . A 31 LYS HG3 . 19960 1 352 . 1 1 31 31 LYS HD2 H 1 1.732 0.02 . 2 . . . A 31 LYS HD2 . 19960 1 353 . 1 1 31 31 LYS HD3 H 1 1.666 0.02 . 2 . . . A 31 LYS HD3 . 19960 1 354 . 1 1 31 31 LYS HE2 H 1 3.044 0.02 . 2 . . . A 31 LYS HE2 . 19960 1 355 . 1 1 31 31 LYS HE3 H 1 2.997 0.02 . 2 . . . A 31 LYS HE3 . 19960 1 356 . 1 1 31 31 LYS CA C 13 57.919 0.1 . 1 . . . A 31 LYS CA . 19960 1 357 . 1 1 31 31 LYS CB C 13 31.886 0.1 . 1 . . . A 31 LYS CB . 19960 1 358 . 1 1 31 31 LYS CG C 13 24.274 0.1 . 1 . . . A 31 LYS CG . 19960 1 359 . 1 1 31 31 LYS CD C 13 29.501 0.1 . 1 . . . A 31 LYS CD . 19960 1 360 . 1 1 31 31 LYS CE C 13 42.454 0.1 . 1 . . . A 31 LYS CE . 19960 1 361 . 1 1 31 31 LYS N N 15 119.398 0.1 . 1 . . . A 31 LYS N . 19960 1 362 . 1 1 32 32 ASP H H 1 7.641 0.02 . 1 . . . A 32 ASP H . 19960 1 363 . 1 1 32 32 ASP HA H 1 4.752 0.02 . 1 . . . A 32 ASP HA . 19960 1 364 . 1 1 32 32 ASP HB2 H 1 2.899 0.02 . 2 . . . A 32 ASP HB2 . 19960 1 365 . 1 1 32 32 ASP HB3 H 1 2.986 0.02 . 2 . . . A 32 ASP HB3 . 19960 1 366 . 1 1 32 32 ASP CA C 13 55.689 0.1 . 1 . . . A 32 ASP CA . 19960 1 367 . 1 1 32 32 ASP CB C 13 42.031 0.1 . 1 . . . A 32 ASP CB . 19960 1 368 . 1 1 32 32 ASP N N 15 118.993 0.1 . 1 . . . A 32 ASP N . 19960 1 369 . 1 1 33 33 GLY H H 1 8.234 0.02 . 1 . . . A 33 GLY H . 19960 1 370 . 1 1 33 33 GLY HA2 H 1 4.370 0.02 . 2 . . . A 33 GLY HA2 . 19960 1 371 . 1 1 33 33 GLY HA3 H 1 3.812 0.02 . 2 . . . A 33 GLY HA3 . 19960 1 372 . 1 1 33 33 GLY CA C 13 45.266 0.1 . 1 . . . A 33 GLY CA . 19960 1 373 . 1 1 33 33 GLY N N 15 106.885 0.1 . 1 . . . A 33 GLY N . 19960 1 374 . 1 1 34 34 CYS H H 1 7.352 0.02 . 1 . . . A 34 CYS H . 19960 1 375 . 1 1 34 34 CYS HA H 1 5.036 0.02 . 1 . . . A 34 CYS HA . 19960 1 376 . 1 1 34 34 CYS HB2 H 1 3.408 0.02 . 2 . . . A 34 CYS HB2 . 19960 1 377 . 1 1 34 34 CYS HB3 H 1 2.330 0.02 . 2 . . . A 34 CYS HB3 . 19960 1 378 . 1 1 34 34 CYS CA C 13 52.512 0.1 . 1 . . . A 34 CYS CA . 19960 1 379 . 1 1 34 34 CYS CB C 13 38.017 0.1 . 1 . . . A 34 CYS CB . 19960 1 380 . 1 1 34 34 CYS N N 15 118.799 0.1 . 1 . . . A 34 CYS N . 19960 1 381 . 1 1 35 35 ARG H H 1 8.433 0.02 . 1 . . . A 35 ARG H . 19960 1 382 . 1 1 35 35 ARG HA H 1 4.232 0.02 . 1 . . . A 35 ARG HA . 19960 1 383 . 1 1 35 35 ARG HB2 H 1 1.921 0.02 . 1 . . . A 35 ARG HB2 . 19960 1 384 . 1 1 35 35 ARG HB3 H 1 1.921 0.02 . 1 . . . A 35 ARG HB3 . 19960 1 385 . 1 1 35 35 ARG HG2 H 1 1.758 0.02 . 1 . . . A 35 ARG HG2 . 19960 1 386 . 1 1 35 35 ARG HG3 H 1 1.758 0.02 . 1 . . . A 35 ARG HG3 . 19960 1 387 . 1 1 35 35 ARG HD2 H 1 3.283 0.02 . 1 . . . A 35 ARG HD2 . 19960 1 388 . 1 1 35 35 ARG HD3 H 1 3.283 0.02 . 1 . . . A 35 ARG HD3 . 19960 1 389 . 1 1 35 35 ARG CA C 13 58.030 0.1 . 1 . . . A 35 ARG CA . 19960 1 390 . 1 1 35 35 ARG CB C 13 31.105 0.1 . 1 . . . A 35 ARG CB . 19960 1 391 . 1 1 35 35 ARG CG C 13 27.797 0.1 . 1 . . . A 35 ARG CG . 19960 1 392 . 1 1 35 35 ARG CD C 13 43.590 0.1 . 1 . . . A 35 ARG CD . 19960 1 393 . 1 1 35 35 ARG N N 15 121.464 0.1 . 1 . . . A 35 ARG N . 19960 1 394 . 1 1 36 36 VAL H H 1 8.106 0.02 . 1 . . . A 36 VAL H . 19960 1 395 . 1 1 36 36 VAL HA H 1 4.450 0.02 . 1 . . . A 36 VAL HA . 19960 1 396 . 1 1 36 36 VAL HB H 1 2.161 0.02 . 1 . . . A 36 VAL HB . 19960 1 397 . 1 1 36 36 VAL HG11 H 1 0.883 0.02 . 2 . . . A 36 VAL QG1 . 19960 1 398 . 1 1 36 36 VAL HG12 H 1 0.883 0.02 . 2 . . . A 36 VAL QG1 . 19960 1 399 . 1 1 36 36 VAL HG13 H 1 0.883 0.02 . 2 . . . A 36 VAL QG1 . 19960 1 400 . 1 1 36 36 VAL HG21 H 1 0.803 0.02 . 2 . . . A 36 VAL QG2 . 19960 1 401 . 1 1 36 36 VAL HG22 H 1 0.803 0.02 . 2 . . . A 36 VAL QG2 . 19960 1 402 . 1 1 36 36 VAL HG23 H 1 0.803 0.02 . 2 . . . A 36 VAL QG2 . 19960 1 403 . 1 1 36 36 VAL CA C 13 59.016 0.1 . 1 . . . A 36 VAL CA . 19960 1 404 . 1 1 36 36 VAL CB C 13 33.131 0.1 . 1 . . . A 36 VAL CB . 19960 1 405 . 1 1 36 36 VAL CG1 C 13 20.512 0.1 . 1 . . . A 36 VAL CG1 . 19960 1 406 . 1 1 36 36 VAL CG2 C 13 21.159 0.1 . 1 . . . A 36 VAL CG2 . 19960 1 407 . 1 1 36 36 VAL N N 15 119.987 0.1 . 1 . . . A 36 VAL N . 19960 1 408 . 1 1 37 37 PRO HA H 1 4.640 0.02 . 1 . . . A 37 PRO HA . 19960 1 409 . 1 1 37 37 PRO HB2 H 1 2.351 0.02 . 2 . . . A 37 PRO HB2 . 19960 1 410 . 1 1 37 37 PRO HB3 H 1 1.985 0.02 . 2 . . . A 37 PRO HB3 . 19960 1 411 . 1 1 37 37 PRO HG2 H 1 2.184 0.02 . 2 . . . A 37 PRO HG2 . 19960 1 412 . 1 1 37 37 PRO HG3 H 1 2.063 0.02 . 2 . . . A 37 PRO HG3 . 19960 1 413 . 1 1 37 37 PRO HD2 H 1 3.841 0.02 . 2 . . . A 37 PRO HD2 . 19960 1 414 . 1 1 37 37 PRO HD3 H 1 3.772 0.02 . 2 . . . A 37 PRO HD3 . 19960 1 415 . 1 1 37 37 PRO CA C 13 62.545 0.1 . 1 . . . A 37 PRO CA . 19960 1 416 . 1 1 37 37 PRO CB C 13 33.224 0.1 . 1 . . . A 37 PRO CB . 19960 1 417 . 1 1 37 37 PRO CG C 13 27.569 0.1 . 1 . . . A 37 PRO CG . 19960 1 418 . 1 1 37 37 PRO CD C 13 50.600 0.1 . 1 . . . A 37 PRO CD . 19960 1 419 . 1 1 38 38 ALA H H 1 8.294 0.02 . 1 . . . A 38 ALA H . 19960 1 420 . 1 1 38 38 ALA HA H 1 4.796 0.02 . 1 . . . A 38 ALA HA . 19960 1 421 . 1 1 38 38 ALA HB1 H 1 1.378 0.02 . 1 . . . A 38 ALA QB . 19960 1 422 . 1 1 38 38 ALA HB2 H 1 1.378 0.02 . 1 . . . A 38 ALA QB . 19960 1 423 . 1 1 38 38 ALA HB3 H 1 1.378 0.02 . 1 . . . A 38 ALA QB . 19960 1 424 . 1 1 38 38 ALA CA C 13 52.010 0.1 . 1 . . . A 38 ALA CA . 19960 1 425 . 1 1 38 38 ALA CB C 13 25.085 0.1 . 1 . . . A 38 ALA CB . 19960 1 426 . 1 1 38 38 ALA N N 15 120.571 0.1 . 1 . . . A 38 ALA N . 19960 1 427 . 1 1 39 39 VAL H H 1 8.610 0.02 . 1 . . . A 39 VAL H . 19960 1 428 . 1 1 39 39 VAL HA H 1 4.157 0.02 . 1 . . . A 39 VAL HA . 19960 1 429 . 1 1 39 39 VAL HB H 1 1.243 0.02 . 1 . . . A 39 VAL HB . 19960 1 430 . 1 1 39 39 VAL HG11 H 1 0.473 0.02 . 2 . . . A 39 VAL QG1 . 19960 1 431 . 1 1 39 39 VAL HG12 H 1 0.473 0.02 . 2 . . . A 39 VAL QG1 . 19960 1 432 . 1 1 39 39 VAL HG13 H 1 0.473 0.02 . 2 . . . A 39 VAL QG1 . 19960 1 433 . 1 1 39 39 VAL HG21 H 1 -0.037 0.02 . 2 . . . A 39 VAL QG2 . 19960 1 434 . 1 1 39 39 VAL HG22 H 1 -0.037 0.02 . 2 . . . A 39 VAL QG2 . 19960 1 435 . 1 1 39 39 VAL HG23 H 1 -0.037 0.02 . 2 . . . A 39 VAL QG2 . 19960 1 436 . 1 1 39 39 VAL CA C 13 61.542 0.1 . 1 . . . A 39 VAL CA . 19960 1 437 . 1 1 39 39 VAL CB C 13 33.892 0.1 . 1 . . . A 39 VAL CB . 19960 1 438 . 1 1 39 39 VAL CG1 C 13 22.456 0.1 . 1 . . . A 39 VAL CG1 . 19960 1 439 . 1 1 39 39 VAL CG2 C 13 20.979 0.1 . 1 . . . A 39 VAL CG2 . 19960 1 440 . 1 1 39 39 VAL N N 15 119.399 0.1 . 1 . . . A 39 VAL N . 19960 1 441 . 1 1 40 40 VAL H H 1 8.757 0.02 . 1 . . . A 40 VAL H . 19960 1 442 . 1 1 40 40 VAL HA H 1 4.778 0.02 . 1 . . . A 40 VAL HA . 19960 1 443 . 1 1 40 40 VAL HB H 1 1.279 0.02 . 1 . . . A 40 VAL HB . 19960 1 444 . 1 1 40 40 VAL HG11 H 1 0.851 0.02 . 2 . . . A 40 VAL QG1 . 19960 1 445 . 1 1 40 40 VAL HG12 H 1 0.851 0.02 . 2 . . . A 40 VAL QG1 . 19960 1 446 . 1 1 40 40 VAL HG13 H 1 0.851 0.02 . 2 . . . A 40 VAL QG1 . 19960 1 447 . 1 1 40 40 VAL HG21 H 1 0.807 0.02 . 2 . . . A 40 VAL QG2 . 19960 1 448 . 1 1 40 40 VAL HG22 H 1 0.807 0.02 . 2 . . . A 40 VAL QG2 . 19960 1 449 . 1 1 40 40 VAL HG23 H 1 0.807 0.02 . 2 . . . A 40 VAL QG2 . 19960 1 450 . 1 1 40 40 VAL CA C 13 60.706 0.1 . 1 . . . A 40 VAL CA . 19960 1 451 . 1 1 40 40 VAL CB C 13 33.001 0.1 . 1 . . . A 40 VAL CB . 19960 1 452 . 1 1 40 40 VAL CG1 C 13 22.002 0.1 . 1 . . . A 40 VAL CG1 . 19960 1 453 . 1 1 40 40 VAL CG2 C 13 21.661 0.1 . 1 . . . A 40 VAL CG2 . 19960 1 454 . 1 1 40 40 VAL N N 15 125.524 0.1 . 1 . . . A 40 VAL N . 19960 1 455 . 1 1 41 41 PHE H H 1 9.418 0.02 . 1 . . . A 41 PHE H . 19960 1 456 . 1 1 41 41 PHE HA H 1 5.686 0.02 . 1 . . . A 41 PHE HA . 19960 1 457 . 1 1 41 41 PHE HB2 H 1 3.165 0.02 . 2 . . . A 41 PHE HB2 . 19960 1 458 . 1 1 41 41 PHE HB3 H 1 2.983 0.02 . 2 . . . A 41 PHE HB3 . 19960 1 459 . 1 1 41 41 PHE HD1 H 1 7.308 0.02 . 1 . . . A 41 PHE HD1 . 19960 1 460 . 1 1 41 41 PHE HD2 H 1 7.308 0.02 . 1 . . . A 41 PHE HD2 . 19960 1 461 . 1 1 41 41 PHE HE1 H 1 6.954 0.02 . 1 . . . A 41 PHE HE1 . 19960 1 462 . 1 1 41 41 PHE HE2 H 1 6.954 0.02 . 1 . . . A 41 PHE HE2 . 19960 1 463 . 1 1 41 41 PHE HZ H 1 7.268 0.02 . 1 . . . A 41 PHE HZ . 19960 1 464 . 1 1 41 41 PHE CA C 13 55.522 0.1 . 1 . . . A 41 PHE CA . 19960 1 465 . 1 1 41 41 PHE CB C 13 41.696 0.1 . 1 . . . A 41 PHE CB . 19960 1 466 . 1 1 41 41 PHE CD2 C 13 131.271 0.1 . 1 . . . A 41 PHE CD2 . 19960 1 467 . 1 1 41 41 PHE CE2 C 13 131.271 0.1 . 1 . . . A 41 PHE CE2 . 19960 1 468 . 1 1 41 41 PHE CZ C 13 130.236 0.1 . 1 . . . A 41 PHE CZ . 19960 1 469 . 1 1 41 41 PHE N N 15 127.897 0.1 . 1 . . . A 41 PHE N . 19960 1 470 . 1 1 42 42 THR H H 1 8.532 0.02 . 1 . . . A 42 THR H . 19960 1 471 . 1 1 42 42 THR HA H 1 5.525 0.02 . 1 . . . A 42 THR HA . 19960 1 472 . 1 1 42 42 THR HB H 1 3.961 0.02 . 1 . . . A 42 THR HB . 19960 1 473 . 1 1 42 42 THR HG21 H 1 1.395 0.02 . 1 . . . A 42 THR QG2 . 19960 1 474 . 1 1 42 42 THR HG22 H 1 1.395 0.02 . 1 . . . A 42 THR QG2 . 19960 1 475 . 1 1 42 42 THR HG23 H 1 1.395 0.02 . 1 . . . A 42 THR QG2 . 19960 1 476 . 1 1 42 42 THR CA C 13 61.653 0.1 . 1 . . . A 42 THR CA . 19960 1 477 . 1 1 42 42 THR CB C 13 70.347 0.1 . 1 . . . A 42 THR CB . 19960 1 478 . 1 1 42 42 THR CG2 C 13 21.888 0.1 . 1 . . . A 42 THR CG2 . 19960 1 479 . 1 1 42 42 THR N N 15 118.170 0.1 . 1 . . . A 42 THR N . 19960 1 480 . 1 1 43 43 THR H H 1 9.514 0.02 . 1 . . . A 43 THR H . 19960 1 481 . 1 1 43 43 THR HA H 1 5.420 0.02 . 1 . . . A 43 THR HA . 19960 1 482 . 1 1 43 43 THR HB H 1 4.948 0.02 . 1 . . . A 43 THR HB . 19960 1 483 . 1 1 43 43 THR HG21 H 1 1.228 0.02 . 1 . . . A 43 THR QG2 . 19960 1 484 . 1 1 43 43 THR HG22 H 1 1.228 0.02 . 1 . . . A 43 THR QG2 . 19960 1 485 . 1 1 43 43 THR HG23 H 1 1.228 0.02 . 1 . . . A 43 THR QG2 . 19960 1 486 . 1 1 43 43 THR CA C 13 61.123 0.1 . 1 . . . A 43 THR CA . 19960 1 487 . 1 1 43 43 THR CB C 13 71.537 0.1 . 1 . . . A 43 THR CB . 19960 1 488 . 1 1 43 43 THR CG2 C 13 21.547 0.1 . 1 . . . A 43 THR CG2 . 19960 1 489 . 1 1 43 43 THR N N 15 118.792 0.1 . 1 . . . A 43 THR N . 19960 1 490 . 1 1 44 44 LEU H H 1 8.782 0.02 . 1 . . . A 44 LEU H . 19960 1 491 . 1 1 44 44 LEU HA H 1 4.089 0.02 . 1 . . . A 44 LEU HA . 19960 1 492 . 1 1 44 44 LEU HB2 H 1 1.985 0.02 . 2 . . . A 44 LEU HB2 . 19960 1 493 . 1 1 44 44 LEU HB3 H 1 1.723 0.02 . 2 . . . A 44 LEU HB3 . 19960 1 494 . 1 1 44 44 LEU HG H 1 1.776 0.02 . 1 . . . A 44 LEU HG . 19960 1 495 . 1 1 44 44 LEU HD11 H 1 1.112 0.02 . 2 . . . A 44 LEU QD1 . 19960 1 496 . 1 1 44 44 LEU HD12 H 1 1.112 0.02 . 2 . . . A 44 LEU QD1 . 19960 1 497 . 1 1 44 44 LEU HD13 H 1 1.112 0.02 . 2 . . . A 44 LEU QD1 . 19960 1 498 . 1 1 44 44 LEU HD21 H 1 0.958 0.02 . 2 . . . A 44 LEU QD2 . 19960 1 499 . 1 1 44 44 LEU HD22 H 1 0.958 0.02 . 2 . . . A 44 LEU QD2 . 19960 1 500 . 1 1 44 44 LEU HD23 H 1 0.958 0.02 . 2 . . . A 44 LEU QD2 . 19960 1 501 . 1 1 44 44 LEU CA C 13 58.420 0.1 . 1 . . . A 44 LEU CA . 19960 1 502 . 1 1 44 44 LEU CB C 13 42.031 0.1 . 1 . . . A 44 LEU CB . 19960 1 503 . 1 1 44 44 LEU CG C 13 27.683 0.1 . 1 . . . A 44 LEU CG . 19960 1 504 . 1 1 44 44 LEU CD1 C 13 25.524 0.1 . 1 . . . A 44 LEU CD1 . 19960 1 505 . 1 1 44 44 LEU CD2 C 13 23.138 0.1 . 1 . . . A 44 LEU CD2 . 19960 1 506 . 1 1 44 44 LEU N N 15 120.736 0.1 . 1 . . . A 44 LEU N . 19960 1 507 . 1 1 45 45 ARG H H 1 7.924 0.02 . 1 . . . A 45 ARG H . 19960 1 508 . 1 1 45 45 ARG HA H 1 4.523 0.02 . 1 . . . A 45 ARG HA . 19960 1 509 . 1 1 45 45 ARG HB2 H 1 2.215 0.02 . 2 . . . A 45 ARG HB2 . 19960 1 510 . 1 1 45 45 ARG HB3 H 1 1.881 0.02 . 2 . . . A 45 ARG HB3 . 19960 1 511 . 1 1 45 45 ARG HG2 H 1 1.850 0.02 . 2 . . . A 45 ARG HG2 . 19960 1 512 . 1 1 45 45 ARG HG3 H 1 1.748 0.02 . 2 . . . A 45 ARG HG3 . 19960 1 513 . 1 1 45 45 ARG HD2 H 1 3.328 0.02 . 1 . . . A 45 ARG HD2 . 19960 1 514 . 1 1 45 45 ARG HD3 H 1 3.328 0.02 . 1 . . . A 45 ARG HD3 . 19960 1 515 . 1 1 45 45 ARG CA C 13 56.247 0.1 . 1 . . . A 45 ARG CA . 19960 1 516 . 1 1 45 45 ARG CB C 13 30.325 0.1 . 1 . . . A 45 ARG CB . 19960 1 517 . 1 1 45 45 ARG CG C 13 28.365 0.1 . 1 . . . A 45 ARG CG . 19960 1 518 . 1 1 45 45 ARG CD C 13 43.818 0.1 . 1 . . . A 45 ARG CD . 19960 1 519 . 1 1 45 45 ARG N N 15 114.893 0.1 . 1 . . . A 45 ARG N . 19960 1 520 . 1 1 46 46 GLY H H 1 8.183 0.02 . 1 . . . A 46 GLY H . 19960 1 521 . 1 1 46 46 GLY HA2 H 1 4.307 0.02 . 2 . . . A 46 GLY HA2 . 19960 1 522 . 1 1 46 46 GLY HA3 H 1 3.599 0.02 . 2 . . . A 46 GLY HA3 . 19960 1 523 . 1 1 46 46 GLY CA C 13 45.823 0.1 . 1 . . . A 46 GLY CA . 19960 1 524 . 1 1 46 46 GLY N N 15 108.124 0.1 . 1 . . . A 46 GLY N . 19960 1 525 . 1 1 47 47 ARG H H 1 7.379 0.02 . 1 . . . A 47 ARG H . 19960 1 526 . 1 1 47 47 ARG HA H 1 4.496 0.02 . 1 . . . A 47 ARG HA . 19960 1 527 . 1 1 47 47 ARG HB2 H 1 1.920 0.02 . 2 . . . A 47 ARG HB2 . 19960 1 528 . 1 1 47 47 ARG HB3 H 1 1.872 0.02 . 2 . . . A 47 ARG HB3 . 19960 1 529 . 1 1 47 47 ARG HG2 H 1 1.615 0.02 . 1 . . . A 47 ARG HG2 . 19960 1 530 . 1 1 47 47 ARG HG3 H 1 1.615 0.02 . 1 . . . A 47 ARG HG3 . 19960 1 531 . 1 1 47 47 ARG HD2 H 1 3.289 0.02 . 1 . . . A 47 ARG HD2 . 19960 1 532 . 1 1 47 47 ARG HD3 H 1 3.289 0.02 . 1 . . . A 47 ARG HD3 . 19960 1 533 . 1 1 47 47 ARG CA C 13 56.024 0.1 . 1 . . . A 47 ARG CA . 19960 1 534 . 1 1 47 47 ARG CB C 13 31.328 0.1 . 1 . . . A 47 ARG CB . 19960 1 535 . 1 1 47 47 ARG CG C 13 28.024 0.1 . 1 . . . A 47 ARG CG . 19960 1 536 . 1 1 47 47 ARG CD C 13 43.931 0.1 . 1 . . . A 47 ARG CD . 19960 1 537 . 1 1 47 47 ARG N N 15 119.974 0.1 . 1 . . . A 47 ARG N . 19960 1 538 . 1 1 48 48 GLN H H 1 8.637 0.02 . 1 . . . A 48 GLN H . 19960 1 539 . 1 1 48 48 GLN HA H 1 5.507 0.02 . 1 . . . A 48 GLN HA . 19960 1 540 . 1 1 48 48 GLN HB2 H 1 2.073 0.02 . 2 . . . A 48 GLN HB2 . 19960 1 541 . 1 1 48 48 GLN HB3 H 1 1.891 0.02 . 2 . . . A 48 GLN HB3 . 19960 1 542 . 1 1 48 48 GLN HG2 H 1 2.444 0.02 . 2 . . . A 48 GLN HG2 . 19960 1 543 . 1 1 48 48 GLN HG3 H 1 2.373 0.02 . 2 . . . A 48 GLN HG3 . 19960 1 544 . 1 1 48 48 GLN HE21 H 1 7.364 0.02 . 2 . . . A 48 GLN HE21 . 19960 1 545 . 1 1 48 48 GLN HE22 H 1 6.911 0.02 . 2 . . . A 48 GLN HE22 . 19960 1 546 . 1 1 48 48 GLN CA C 13 55.076 0.1 . 1 . . . A 48 GLN CA . 19960 1 547 . 1 1 48 48 GLN CB C 13 30.548 0.1 . 1 . . . A 48 GLN CB . 19960 1 548 . 1 1 48 48 GLN CG C 13 34.614 0.1 . 1 . . . A 48 GLN CG . 19960 1 549 . 1 1 48 48 GLN N N 15 121.273 0.1 . 1 . . . A 48 GLN N . 19960 1 550 . 1 1 48 48 GLN NE2 N 15 111.686 0.1 . 1 . . . A 48 GLN NE2 . 19960 1 551 . 1 1 49 49 LEU H H 1 9.307 0.02 . 1 . . . A 49 LEU H . 19960 1 552 . 1 1 49 49 LEU HA H 1 4.889 0.02 . 1 . . . A 49 LEU HA . 19960 1 553 . 1 1 49 49 LEU HB2 H 1 1.791 0.02 . 1 . . . A 49 LEU HB2 . 19960 1 554 . 1 1 49 49 LEU HB3 H 1 1.791 0.02 . 1 . . . A 49 LEU HB3 . 19960 1 555 . 1 1 49 49 LEU HG H 1 1.756 0.02 . 1 . . . A 49 LEU HG . 19960 1 556 . 1 1 49 49 LEU HD11 H 1 1.032 0.02 . 1 . . . A 49 LEU QD1 . 19960 1 557 . 1 1 49 49 LEU HD12 H 1 1.032 0.02 . 1 . . . A 49 LEU QD1 . 19960 1 558 . 1 1 49 49 LEU HD13 H 1 1.032 0.02 . 1 . . . A 49 LEU QD1 . 19960 1 559 . 1 1 49 49 LEU HD21 H 1 1.032 0.02 . 1 . . . A 49 LEU QD2 . 19960 1 560 . 1 1 49 49 LEU HD22 H 1 1.032 0.02 . 1 . . . A 49 LEU QD2 . 19960 1 561 . 1 1 49 49 LEU HD23 H 1 1.032 0.02 . 1 . . . A 49 LEU QD2 . 19960 1 562 . 1 1 49 49 LEU CA C 13 54.073 0.1 . 1 . . . A 49 LEU CA . 19960 1 563 . 1 1 49 49 LEU CB C 13 45.821 0.1 . 1 . . . A 49 LEU CB . 19960 1 564 . 1 1 49 49 LEU CG C 13 27.342 0.1 . 1 . . . A 49 LEU CG . 19960 1 565 . 1 1 49 49 LEU CD1 C 13 26.547 0.1 . 1 . . . A 49 LEU CD1 . 19960 1 566 . 1 1 49 49 LEU CD2 C 13 24.502 0.1 . 1 . . . A 49 LEU CD2 . 19960 1 567 . 1 1 49 49 LEU N N 15 124.631 0.1 . 1 . . . A 49 LEU N . 19960 1 568 . 1 1 50 50 CYS H H 1 8.937 0.02 . 1 . . . A 50 CYS H . 19960 1 569 . 1 1 50 50 CYS HA H 1 5.208 0.02 . 1 . . . A 50 CYS HA . 19960 1 570 . 1 1 50 50 CYS HB2 H 1 3.854 0.02 . 2 . . . A 50 CYS HB2 . 19960 1 571 . 1 1 50 50 CYS HB3 H 1 2.971 0.02 . 2 . . . A 50 CYS HB3 . 19960 1 572 . 1 1 50 50 CYS CA C 13 57.250 0.1 . 1 . . . A 50 CYS CA . 19960 1 573 . 1 1 50 50 CYS CB C 13 48.720 0.1 . 1 . . . A 50 CYS CB . 19960 1 574 . 1 1 50 50 CYS N N 15 122.252 0.1 . 1 . . . A 50 CYS N . 19960 1 575 . 1 1 51 51 ALA H H 1 9.779 0.02 . 1 . . . A 51 ALA H . 19960 1 576 . 1 1 51 51 ALA HA H 1 5.210 0.02 . 1 . . . A 51 ALA HA . 19960 1 577 . 1 1 51 51 ALA HB1 H 1 1.277 0.02 . 1 . . . A 51 ALA QB . 19960 1 578 . 1 1 51 51 ALA HB2 H 1 1.277 0.02 . 1 . . . A 51 ALA QB . 19960 1 579 . 1 1 51 51 ALA HB3 H 1 1.277 0.02 . 1 . . . A 51 ALA QB . 19960 1 580 . 1 1 51 51 ALA CA C 13 49.957 0.1 . 1 . . . A 51 ALA CA . 19960 1 581 . 1 1 51 51 ALA CB C 13 22.130 0.1 . 1 . . . A 51 ALA CB . 19960 1 582 . 1 1 51 51 ALA N N 15 128.706 0.1 . 1 . . . A 51 ALA N . 19960 1 583 . 1 1 52 52 PRO HA H 1 1.498 0.02 . 1 . . . A 52 PRO HA . 19960 1 584 . 1 1 52 52 PRO HB2 H 1 1.118 0.02 . 2 . . . A 52 PRO HB2 . 19960 1 585 . 1 1 52 52 PRO HB3 H 1 0.961 0.02 . 2 . . . A 52 PRO HB3 . 19960 1 586 . 1 1 52 52 PRO HG2 H 1 1.630 0.02 . 2 . . . A 52 PRO HG2 . 19960 1 587 . 1 1 52 52 PRO HG3 H 1 0.769 0.02 . 2 . . . A 52 PRO HG3 . 19960 1 588 . 1 1 52 52 PRO HD2 H 1 3.620 0.02 . 2 . . . A 52 PRO HD2 . 19960 1 589 . 1 1 52 52 PRO HD3 H 1 3.273 0.02 . 2 . . . A 52 PRO HD3 . 19960 1 590 . 1 1 52 52 PRO CA C 13 62.252 0.1 . 1 . . . A 52 PRO CA . 19960 1 591 . 1 1 52 52 PRO CB C 13 32.161 0.1 . 1 . . . A 52 PRO CB . 19960 1 592 . 1 1 52 52 PRO CG C 13 26.984 0.1 . 1 . . . A 52 PRO CG . 19960 1 593 . 1 1 52 52 PRO CD C 13 50.604 0.1 . 1 . . . A 52 PRO CD . 19960 1 594 . 1 1 53 53 PRO HA H 1 4.200 0.02 . 1 . . . A 53 PRO HA . 19960 1 595 . 1 1 53 53 PRO HB2 H 1 2.049 0.02 . 1 . . . A 53 PRO HB2 . 19960 1 596 . 1 1 53 53 PRO HB3 H 1 2.049 0.02 . 1 . . . A 53 PRO HB3 . 19960 1 597 . 1 1 53 53 PRO HG2 H 1 1.927 0.02 . 2 . . . A 53 PRO HG2 . 19960 1 598 . 1 1 53 53 PRO HG3 H 1 1.764 0.02 . 2 . . . A 53 PRO HG3 . 19960 1 599 . 1 1 53 53 PRO HD2 H 1 4.022 0.02 . 2 . . . A 53 PRO HD2 . 19960 1 600 . 1 1 53 53 PRO HD3 H 1 3.762 0.02 . 2 . . . A 53 PRO HD3 . 19960 1 601 . 1 1 53 53 PRO CA C 13 64.217 0.1 . 1 . . . A 53 PRO CA . 19960 1 602 . 1 1 53 53 PRO CB C 13 32.666 0.1 . 1 . . . A 53 PRO CB . 19960 1 603 . 1 1 53 53 PRO CG C 13 27.797 0.1 . 1 . . . A 53 PRO CG . 19960 1 604 . 1 1 53 53 PRO CD C 13 50.600 0.1 . 1 . . . A 53 PRO CD . 19960 1 605 . 1 1 54 54 ASP H H 1 8.256 0.02 . 1 . . . A 54 ASP H . 19960 1 606 . 1 1 54 54 ASP HA H 1 4.596 0.02 . 1 . . . A 54 ASP HA . 19960 1 607 . 1 1 54 54 ASP HB2 H 1 2.921 0.02 . 2 . . . A 54 ASP HB2 . 19960 1 608 . 1 1 54 54 ASP HB3 H 1 2.596 0.02 . 2 . . . A 54 ASP HB3 . 19960 1 609 . 1 1 54 54 ASP CA C 13 53.571 0.1 . 1 . . . A 54 ASP CA . 19960 1 610 . 1 1 54 54 ASP CB C 13 40.581 0.1 . 1 . . . A 54 ASP CB . 19960 1 611 . 1 1 54 54 ASP N N 15 112.983 0.1 . 1 . . . A 54 ASP N . 19960 1 612 . 1 1 55 55 GLN H H 1 6.526 0.02 . 1 . . . A 55 GLN H . 19960 1 613 . 1 1 55 55 GLN HA H 1 4.755 0.02 . 1 . . . A 55 GLN HA . 19960 1 614 . 1 1 55 55 GLN HB2 H 1 2.110 0.02 . 2 . . . A 55 GLN HB2 . 19960 1 615 . 1 1 55 55 GLN HB3 H 1 1.249 0.02 . 2 . . . A 55 GLN HB3 . 19960 1 616 . 1 1 55 55 GLN HG2 H 1 2.598 0.02 . 2 . . . A 55 GLN HG2 . 19960 1 617 . 1 1 55 55 GLN HG3 H 1 2.462 0.02 . 2 . . . A 55 GLN HG3 . 19960 1 618 . 1 1 55 55 GLN HE21 H 1 7.742 0.02 . 2 . . . A 55 GLN HE21 . 19960 1 619 . 1 1 55 55 GLN HE22 H 1 7.099 0.02 . 2 . . . A 55 GLN HE22 . 19960 1 620 . 1 1 55 55 GLN CA C 13 52.869 0.1 . 1 . . . A 55 GLN CA . 19960 1 621 . 1 1 55 55 GLN CB C 13 29.896 0.1 . 1 . . . A 55 GLN CB . 19960 1 622 . 1 1 55 55 GLN CG C 13 33.779 0.1 . 1 . . . A 55 GLN CG . 19960 1 623 . 1 1 55 55 GLN N N 15 117.051 0.1 . 1 . . . A 55 GLN N . 19960 1 624 . 1 1 55 55 GLN NE2 N 15 114.504 0.1 . 1 . . . A 55 GLN NE2 . 19960 1 625 . 1 1 56 56 PRO HA H 1 4.376 0.02 . 1 . . . A 56 PRO HA . 19960 1 626 . 1 1 56 56 PRO HB2 H 1 2.500 0.02 . 2 . . . A 56 PRO HB2 . 19960 1 627 . 1 1 56 56 PRO HB3 H 1 2.286 0.02 . 2 . . . A 56 PRO HB3 . 19960 1 628 . 1 1 56 56 PRO HG2 H 1 2.380 0.02 . 2 . . . A 56 PRO HG2 . 19960 1 629 . 1 1 56 56 PRO HG3 H 1 2.182 0.02 . 2 . . . A 56 PRO HG3 . 19960 1 630 . 1 1 56 56 PRO HD2 H 1 4.064 0.02 . 1 . . . A 56 PRO HD2 . 19960 1 631 . 1 1 56 56 PRO HD3 H 1 4.064 0.02 . 1 . . . A 56 PRO HD3 . 19960 1 632 . 1 1 56 56 PRO CA C 13 65.860 0.1 . 1 . . . A 56 PRO CA . 19960 1 633 . 1 1 56 56 PRO CB C 13 32.220 0.1 . 1 . . . A 56 PRO CB . 19960 1 634 . 1 1 56 56 PRO CG C 13 27.569 0.1 . 1 . . . A 56 PRO CG . 19960 1 635 . 1 1 56 56 PRO CD C 13 51.089 0.1 . 1 . . . A 56 PRO CD . 19960 1 636 . 1 1 57 57 TRP H H 1 8.031 0.02 . 1 . . . A 57 TRP H . 19960 1 637 . 1 1 57 57 TRP HA H 1 4.434 0.02 . 1 . . . A 57 TRP HA . 19960 1 638 . 1 1 57 57 TRP HB2 H 1 3.686 0.02 . 2 . . . A 57 TRP HB2 . 19960 1 639 . 1 1 57 57 TRP HB3 H 1 3.410 0.02 . 2 . . . A 57 TRP HB3 . 19960 1 640 . 1 1 57 57 TRP HD1 H 1 7.856 0.02 . 1 . . . A 57 TRP HD1 . 19960 1 641 . 1 1 57 57 TRP HE1 H 1 10.636 0.02 . 1 . . . A 57 TRP HE1 . 19960 1 642 . 1 1 57 57 TRP HE3 H 1 7.566 0.02 . 1 . . . A 57 TRP HE3 . 19960 1 643 . 1 1 57 57 TRP HZ2 H 1 7.335 0.02 . 1 . . . A 57 TRP HZ2 . 19960 1 644 . 1 1 57 57 TRP HZ3 H 1 6.950 0.02 . 1 . . . A 57 TRP HZ3 . 19960 1 645 . 1 1 57 57 TRP HH2 H 1 7.114 0.02 . 1 . . . A 57 TRP HH2 . 19960 1 646 . 1 1 57 57 TRP CA C 13 59.368 0.1 . 1 . . . A 57 TRP CA . 19960 1 647 . 1 1 57 57 TRP CB C 13 27.092 0.1 . 1 . . . A 57 TRP CB . 19960 1 648 . 1 1 57 57 TRP CD1 C 13 129.459 0.1 . 1 . . . A 57 TRP CD1 . 19960 1 649 . 1 1 57 57 TRP CE3 C 13 121.953 0.1 . 1 . . . A 57 TRP CE3 . 19960 1 650 . 1 1 57 57 TRP CZ2 C 13 115.740 0.1 . 1 . . . A 57 TRP CZ2 . 19960 1 651 . 1 1 57 57 TRP CZ3 C 13 121.176 0.1 . 1 . . . A 57 TRP CZ3 . 19960 1 652 . 1 1 57 57 TRP CH2 C 13 124.541 0.1 . 1 . . . A 57 TRP CH2 . 19960 1 653 . 1 1 57 57 TRP N N 15 114.116 0.1 . 1 . . . A 57 TRP N . 19960 1 654 . 1 1 57 57 TRP NE1 N 15 130.864 0.1 . 1 . . . A 57 TRP NE1 . 19960 1 655 . 1 1 58 58 VAL H H 1 6.362 0.02 . 1 . . . A 58 VAL H . 19960 1 656 . 1 1 58 58 VAL HA H 1 3.260 0.02 . 1 . . . A 58 VAL HA . 19960 1 657 . 1 1 58 58 VAL HB H 1 1.891 0.02 . 1 . . . A 58 VAL HB . 19960 1 658 . 1 1 58 58 VAL HG11 H 1 0.691 0.02 . 2 . . . A 58 VAL QG1 . 19960 1 659 . 1 1 58 58 VAL HG12 H 1 0.691 0.02 . 2 . . . A 58 VAL QG1 . 19960 1 660 . 1 1 58 58 VAL HG13 H 1 0.691 0.02 . 2 . . . A 58 VAL QG1 . 19960 1 661 . 1 1 58 58 VAL HG21 H 1 -0.377 0.02 . 2 . . . A 58 VAL QG2 . 19960 1 662 . 1 1 58 58 VAL HG22 H 1 -0.377 0.02 . 2 . . . A 58 VAL QG2 . 19960 1 663 . 1 1 58 58 VAL HG23 H 1 -0.377 0.02 . 2 . . . A 58 VAL QG2 . 19960 1 664 . 1 1 58 58 VAL CA C 13 66.336 0.1 . 1 . . . A 58 VAL CA . 19960 1 665 . 1 1 58 58 VAL CB C 13 32.332 0.1 . 1 . . . A 58 VAL CB . 19960 1 666 . 1 1 58 58 VAL CG1 C 13 20.411 0.1 . 1 . . . A 58 VAL CG1 . 19960 1 667 . 1 1 58 58 VAL CG2 C 13 20.512 0.1 . 1 . . . A 58 VAL CG2 . 19960 1 668 . 1 1 58 58 VAL N N 15 124.419 0.1 . 1 . . . A 58 VAL N . 19960 1 669 . 1 1 59 59 GLU H H 1 7.437 0.02 . 1 . . . A 59 GLU H . 19960 1 670 . 1 1 59 59 GLU HA H 1 3.883 0.02 . 1 . . . A 59 GLU HA . 19960 1 671 . 1 1 59 59 GLU HB2 H 1 2.110 0.02 . 1 . . . A 59 GLU HB2 . 19960 1 672 . 1 1 59 59 GLU HB3 H 1 2.110 0.02 . 1 . . . A 59 GLU HB3 . 19960 1 673 . 1 1 59 59 GLU HG2 H 1 2.340 0.02 . 2 . . . A 59 GLU HG2 . 19960 1 674 . 1 1 59 59 GLU HG3 H 1 2.249 0.02 . 2 . . . A 59 GLU HG3 . 19960 1 675 . 1 1 59 59 GLU CA C 13 59.480 0.1 . 1 . . . A 59 GLU CA . 19960 1 676 . 1 1 59 59 GLU CB C 13 29.210 0.1 . 1 . . . A 59 GLU CB . 19960 1 677 . 1 1 59 59 GLU CG C 13 35.637 0.1 . 1 . . . A 59 GLU CG . 19960 1 678 . 1 1 59 59 GLU N N 15 119.116 0.1 . 1 . . . A 59 GLU N . 19960 1 679 . 1 1 60 60 ARG H H 1 8.173 0.02 . 1 . . . A 60 ARG H . 19960 1 680 . 1 1 60 60 ARG HA H 1 4.105 0.02 . 1 . . . A 60 ARG HA . 19960 1 681 . 1 1 60 60 ARG HB2 H 1 1.997 0.02 . 1 . . . A 60 ARG HB2 . 19960 1 682 . 1 1 60 60 ARG HB3 H 1 1.997 0.02 . 1 . . . A 60 ARG HB3 . 19960 1 683 . 1 1 60 60 ARG HG2 H 1 1.915 0.02 . 2 . . . A 60 ARG HG2 . 19960 1 684 . 1 1 60 60 ARG HG3 H 1 1.770 0.02 . 2 . . . A 60 ARG HG3 . 19960 1 685 . 1 1 60 60 ARG HD2 H 1 3.389 0.02 . 1 . . . A 60 ARG HD2 . 19960 1 686 . 1 1 60 60 ARG HD3 H 1 3.389 0.02 . 1 . . . A 60 ARG HD3 . 19960 1 687 . 1 1 60 60 ARG CA C 13 59.758 0.1 . 1 . . . A 60 ARG CA . 19960 1 688 . 1 1 60 60 ARG CB C 13 30.882 0.1 . 1 . . . A 60 ARG CB . 19960 1 689 . 1 1 60 60 ARG CG C 13 28.365 0.1 . 1 . . . A 60 ARG CG . 19960 1 690 . 1 1 60 60 ARG CD C 13 44.158 0.1 . 1 . . . A 60 ARG CD . 19960 1 691 . 1 1 60 60 ARG N N 15 116.840 0.1 . 1 . . . A 60 ARG N . 19960 1 692 . 1 1 61 61 ILE H H 1 7.246 0.02 . 1 . . . A 61 ILE H . 19960 1 693 . 1 1 61 61 ILE HA H 1 3.784 0.02 . 1 . . . A 61 ILE HA . 19960 1 694 . 1 1 61 61 ILE HB H 1 1.965 0.02 . 1 . . . A 61 ILE HB . 19960 1 695 . 1 1 61 61 ILE HG12 H 1 2.253 0.02 . 2 . . . A 61 ILE HG12 . 19960 1 696 . 1 1 61 61 ILE HG13 H 1 0.959 0.02 . 2 . . . A 61 ILE HG13 . 19960 1 697 . 1 1 61 61 ILE HG21 H 1 0.573 0.02 . 1 . . . A 61 ILE QG2 . 19960 1 698 . 1 1 61 61 ILE HG22 H 1 0.573 0.02 . 1 . . . A 61 ILE QG2 . 19960 1 699 . 1 1 61 61 ILE HG23 H 1 0.573 0.02 . 1 . . . A 61 ILE QG2 . 19960 1 700 . 1 1 61 61 ILE HD11 H 1 0.908 0.02 . 1 . . . A 61 ILE QD1 . 19960 1 701 . 1 1 61 61 ILE HD12 H 1 0.908 0.02 . 1 . . . A 61 ILE QD1 . 19960 1 702 . 1 1 61 61 ILE HD13 H 1 0.908 0.02 . 1 . . . A 61 ILE QD1 . 19960 1 703 . 1 1 61 61 ILE CA C 13 66.001 0.1 . 1 . . . A 61 ILE CA . 19960 1 704 . 1 1 61 61 ILE CB C 13 38.352 0.1 . 1 . . . A 61 ILE CB . 19960 1 705 . 1 1 61 61 ILE CG1 C 13 29.728 0.1 . 1 . . . A 61 ILE CG1 . 19960 1 706 . 1 1 61 61 ILE CG2 C 13 18.184 0.1 . 1 . . . A 61 ILE CG2 . 19960 1 707 . 1 1 61 61 ILE CD1 C 13 14.162 0.1 . 1 . . . A 61 ILE CD1 . 19960 1 708 . 1 1 61 61 ILE N N 15 120.525 0.1 . 1 . . . A 61 ILE N . 19960 1 709 . 1 1 62 62 ILE H H 1 7.897 0.02 . 1 . . . A 62 ILE H . 19960 1 710 . 1 1 62 62 ILE HA H 1 3.061 0.02 . 1 . . . A 62 ILE HA . 19960 1 711 . 1 1 62 62 ILE HB H 1 1.646 0.02 . 1 . . . A 62 ILE HB . 19960 1 712 . 1 1 62 62 ILE HG12 H 1 1.517 0.02 . 2 . . . A 62 ILE HG12 . 19960 1 713 . 1 1 62 62 ILE HG13 H 1 -0.132 0.02 . 2 . . . A 62 ILE HG13 . 19960 1 714 . 1 1 62 62 ILE HG21 H 1 0.379 0.02 . 1 . . . A 62 ILE QG2 . 19960 1 715 . 1 1 62 62 ILE HG22 H 1 0.379 0.02 . 1 . . . A 62 ILE QG2 . 19960 1 716 . 1 1 62 62 ILE HG23 H 1 0.379 0.02 . 1 . . . A 62 ILE QG2 . 19960 1 717 . 1 1 62 62 ILE HD11 H 1 0.493 0.02 . 1 . . . A 62 ILE QD1 . 19960 1 718 . 1 1 62 62 ILE HD12 H 1 0.493 0.02 . 1 . . . A 62 ILE QD1 . 19960 1 719 . 1 1 62 62 ILE HD13 H 1 0.493 0.02 . 1 . . . A 62 ILE QD1 . 19960 1 720 . 1 1 62 62 ILE CA C 13 66.614 0.1 . 1 . . . A 62 ILE CA . 19960 1 721 . 1 1 62 62 ILE CB C 13 37.909 0.1 . 1 . . . A 62 ILE CB . 19960 1 722 . 1 1 62 62 ILE CG1 C 13 29.047 0.1 . 1 . . . A 62 ILE CG1 . 19960 1 723 . 1 1 62 62 ILE CG2 C 13 16.306 0.1 . 1 . . . A 62 ILE CG2 . 19960 1 724 . 1 1 62 62 ILE CD1 C 13 14.276 0.1 . 1 . . . A 62 ILE CD1 . 19960 1 725 . 1 1 62 62 ILE N N 15 120.093 0.1 . 1 . . . A 62 ILE N . 19960 1 726 . 1 1 63 63 GLN H H 1 8.373 0.02 . 1 . . . A 63 GLN H . 19960 1 727 . 1 1 63 63 GLN HA H 1 4.076 0.02 . 1 . . . A 63 GLN HA . 19960 1 728 . 1 1 63 63 GLN HB2 H 1 2.156 0.02 . 1 . . . A 63 GLN HB2 . 19960 1 729 . 1 1 63 63 GLN HB3 H 1 2.156 0.02 . 1 . . . A 63 GLN HB3 . 19960 1 730 . 1 1 63 63 GLN HG2 H 1 2.622 0.02 . 2 . . . A 63 GLN HG2 . 19960 1 731 . 1 1 63 63 GLN HG3 H 1 2.469 0.02 . 2 . . . A 63 GLN HG3 . 19960 1 732 . 1 1 63 63 GLN HE21 H 1 7.584 0.02 . 2 . . . A 63 GLN HE21 . 19960 1 733 . 1 1 63 63 GLN HE22 H 1 6.849 0.02 . 2 . . . A 63 GLN HE22 . 19960 1 734 . 1 1 63 63 GLN CA C 13 59.312 0.1 . 1 . . . A 63 GLN CA . 19960 1 735 . 1 1 63 63 GLN CB C 13 28.541 0.1 . 1 . . . A 63 GLN CB . 19960 1 736 . 1 1 63 63 GLN CG C 13 34.426 0.1 . 1 . . . A 63 GLN CG . 19960 1 737 . 1 1 63 63 GLN N N 15 116.841 0.1 . 1 . . . A 63 GLN N . 19960 1 738 . 1 1 63 63 GLN NE2 N 15 111.783 0.1 . 1 . . . A 63 GLN NE2 . 19960 1 739 . 1 1 64 64 ARG H H 1 7.605 0.02 . 1 . . . A 64 ARG H . 19960 1 740 . 1 1 64 64 ARG HA H 1 4.165 0.02 . 1 . . . A 64 ARG HA . 19960 1 741 . 1 1 64 64 ARG HB2 H 1 2.165 0.02 . 2 . . . A 64 ARG HB2 . 19960 1 742 . 1 1 64 64 ARG HB3 H 1 2.039 0.02 . 2 . . . A 64 ARG HB3 . 19960 1 743 . 1 1 64 64 ARG HG2 H 1 1.826 0.02 . 2 . . . A 64 ARG HG2 . 19960 1 744 . 1 1 64 64 ARG HG3 H 1 1.673 0.02 . 2 . . . A 64 ARG HG3 . 19960 1 745 . 1 1 64 64 ARG HD2 H 1 3.341 0.02 . 2 . . . A 64 ARG HD2 . 19960 1 746 . 1 1 64 64 ARG HD3 H 1 3.209 0.02 . 2 . . . A 64 ARG HD3 . 19960 1 747 . 1 1 64 64 ARG CA C 13 59.868 0.1 . 1 . . . A 64 ARG CA . 19960 1 748 . 1 1 64 64 ARG CB C 13 29.768 0.1 . 1 . . . A 64 ARG CB . 19960 1 749 . 1 1 64 64 ARG CG C 13 27.569 0.1 . 1 . . . A 64 ARG CG . 19960 1 750 . 1 1 64 64 ARG CD C 13 43.800 0.1 . 1 . . . A 64 ARG CD . 19960 1 751 . 1 1 64 64 ARG N N 15 119.677 0.1 . 1 . . . A 64 ARG N . 19960 1 752 . 1 1 65 65 LEU H H 1 8.296 0.02 . 1 . . . A 65 LEU H . 19960 1 753 . 1 1 65 65 LEU HA H 1 4.246 0.02 . 1 . . . A 65 LEU HA . 19960 1 754 . 1 1 65 65 LEU HB2 H 1 2.115 0.02 . 2 . . . A 65 LEU HB2 . 19960 1 755 . 1 1 65 65 LEU HB3 H 1 1.830 0.02 . 2 . . . A 65 LEU HB3 . 19960 1 756 . 1 1 65 65 LEU HG H 1 1.905 0.02 . 1 . . . A 65 LEU HG . 19960 1 757 . 1 1 65 65 LEU HD11 H 1 0.921 0.02 . 1 . . . A 65 LEU QD1 . 19960 1 758 . 1 1 65 65 LEU HD12 H 1 0.921 0.02 . 1 . . . A 65 LEU QD1 . 19960 1 759 . 1 1 65 65 LEU HD13 H 1 0.921 0.02 . 1 . . . A 65 LEU QD1 . 19960 1 760 . 1 1 65 65 LEU HD21 H 1 0.921 0.02 . 1 . . . A 65 LEU QD2 . 19960 1 761 . 1 1 65 65 LEU HD22 H 1 0.921 0.02 . 1 . . . A 65 LEU QD2 . 19960 1 762 . 1 1 65 65 LEU HD23 H 1 0.921 0.02 . 1 . . . A 65 LEU QD2 . 19960 1 763 . 1 1 65 65 LEU CA C 13 57.907 0.1 . 1 . . . A 65 LEU CA . 19960 1 764 . 1 1 65 65 LEU CB C 13 42.142 0.1 . 1 . . . A 65 LEU CB . 19960 1 765 . 1 1 65 65 LEU CG C 13 27.683 0.1 . 1 . . . A 65 LEU CG . 19960 1 766 . 1 1 65 65 LEU CD1 C 13 23.365 0.1 . 1 . . . A 65 LEU CD1 . 19960 1 767 . 1 1 65 65 LEU CD2 C 13 23.138 0.1 . 1 . . . A 65 LEU CD2 . 19960 1 768 . 1 1 65 65 LEU N N 15 120.900 0.1 . 1 . . . A 65 LEU N . 19960 1 769 . 1 1 66 66 GLN H H 1 8.607 0.02 . 1 . . . A 66 GLN H . 19960 1 770 . 1 1 66 66 GLN HA H 1 4.422 0.02 . 1 . . . A 66 GLN HA . 19960 1 771 . 1 1 66 66 GLN HB2 H 1 2.333 0.02 . 2 . . . A 66 GLN HB2 . 19960 1 772 . 1 1 66 66 GLN HB3 H 1 2.244 0.02 . 2 . . . A 66 GLN HB3 . 19960 1 773 . 1 1 66 66 GLN HG2 H 1 2.758 0.02 . 2 . . . A 66 GLN HG2 . 19960 1 774 . 1 1 66 66 GLN HG3 H 1 2.608 0.02 . 2 . . . A 66 GLN HG3 . 19960 1 775 . 1 1 66 66 GLN HE21 H 1 7.468 0.02 . 2 . . . A 66 GLN HE21 . 19960 1 776 . 1 1 66 66 GLN HE22 H 1 6.972 0.02 . 2 . . . A 66 GLN HE22 . 19960 1 777 . 1 1 66 66 GLN CA C 13 58.309 0.1 . 1 . . . A 66 GLN CA . 19960 1 778 . 1 1 66 66 GLN CB C 13 29.433 0.1 . 1 . . . A 66 GLN CB . 19960 1 779 . 1 1 66 66 GLN CG C 13 35.069 0.1 . 1 . . . A 66 GLN CG . 19960 1 780 . 1 1 66 66 GLN N N 15 118.564 0.1 . 1 . . . A 66 GLN N . 19960 1 781 . 1 1 66 66 GLN NE2 N 15 111.231 0.1 . 1 . . . A 66 GLN NE2 . 19960 1 782 . 1 1 67 67 ARG H H 1 8.021 0.02 . 1 . . . A 67 ARG H . 19960 1 783 . 1 1 67 67 ARG HA H 1 4.401 0.02 . 1 . . . A 67 ARG HA . 19960 1 784 . 1 1 67 67 ARG HB2 H 1 2.074 0.02 . 1 . . . A 67 ARG HB2 . 19960 1 785 . 1 1 67 67 ARG HB3 H 1 2.074 0.02 . 1 . . . A 67 ARG HB3 . 19960 1 786 . 1 1 67 67 ARG HG2 H 1 1.923 0.02 . 2 . . . A 67 ARG HG2 . 19960 1 787 . 1 1 67 67 ARG HG3 H 1 1.807 0.02 . 2 . . . A 67 ARG HG3 . 19960 1 788 . 1 1 67 67 ARG HD2 H 1 3.322 0.02 . 1 . . . A 67 ARG HD2 . 19960 1 789 . 1 1 67 67 ARG HD3 H 1 3.322 0.02 . 1 . . . A 67 ARG HD3 . 19960 1 790 . 1 1 67 67 ARG CA C 13 58.309 0.1 . 1 . . . A 67 ARG CA . 19960 1 791 . 1 1 67 67 ARG CB C 13 30.882 0.1 . 1 . . . A 67 ARG CB . 19960 1 792 . 1 1 67 67 ARG CG C 13 27.797 0.1 . 1 . . . A 67 ARG CG . 19960 1 793 . 1 1 67 67 ARG CD C 13 44.158 0.1 . 1 . . . A 67 ARG CD . 19960 1 794 . 1 1 67 67 ARG N N 15 119.572 0.1 . 1 . . . A 67 ARG N . 19960 1 795 . 1 1 68 68 THR H H 1 8.125 0.02 . 1 . . . A 68 THR H . 19960 1 796 . 1 1 68 68 THR HA H 1 4.396 0.02 . 1 . . . A 68 THR HA . 19960 1 797 . 1 1 68 68 THR HB H 1 4.441 0.02 . 1 . . . A 68 THR HB . 19960 1 798 . 1 1 68 68 THR HG21 H 1 1.379 0.02 . 1 . . . A 68 THR QG2 . 19960 1 799 . 1 1 68 68 THR HG22 H 1 1.379 0.02 . 1 . . . A 68 THR QG2 . 19960 1 800 . 1 1 68 68 THR HG23 H 1 1.379 0.02 . 1 . . . A 68 THR QG2 . 19960 1 801 . 1 1 68 68 THR CA C 13 63.772 0.1 . 1 . . . A 68 THR CA . 19960 1 802 . 1 1 68 68 THR CB C 13 70.124 0.1 . 1 . . . A 68 THR CB . 19960 1 803 . 1 1 68 68 THR CG2 C 13 22.343 0.1 . 1 . . . A 68 THR CG2 . 19960 1 804 . 1 1 68 68 THR N N 15 113.497 0.1 . 1 . . . A 68 THR N . 19960 1 805 . 1 1 69 69 SER H H 1 8.222 0.02 . 1 . . . A 69 SER H . 19960 1 806 . 1 1 69 69 SER HA H 1 4.526 0.02 . 1 . . . A 69 SER HA . 19960 1 807 . 1 1 69 69 SER HB2 H 1 4.114 0.02 . 2 . . . A 69 SER HB2 . 19960 1 808 . 1 1 69 69 SER HB3 H 1 4.055 0.02 . 2 . . . A 69 SER HB3 . 19960 1 809 . 1 1 69 69 SER CA C 13 59.758 0.1 . 1 . . . A 69 SER CA . 19960 1 810 . 1 1 69 69 SER CB C 13 63.881 0.1 . 1 . . . A 69 SER CB . 19960 1 811 . 1 1 69 69 SER N N 15 117.718 0.1 . 1 . . . A 69 SER N . 19960 1 812 . 1 1 70 70 ALA H H 1 8.248 0.02 . 1 . . . A 70 ALA H . 19960 1 813 . 1 1 70 70 ALA HA H 1 4.382 0.02 . 1 . . . A 70 ALA HA . 19960 1 814 . 1 1 70 70 ALA HB1 H 1 1.544 0.02 . 1 . . . A 70 ALA QB . 19960 1 815 . 1 1 70 70 ALA HB2 H 1 1.544 0.02 . 1 . . . A 70 ALA QB . 19960 1 816 . 1 1 70 70 ALA HB3 H 1 1.544 0.02 . 1 . . . A 70 ALA QB . 19960 1 817 . 1 1 70 70 ALA CA C 13 53.738 0.1 . 1 . . . A 70 ALA CA . 19960 1 818 . 1 1 70 70 ALA CB C 13 19.288 0.1 . 1 . . . A 70 ALA CB . 19960 1 819 . 1 1 70 70 ALA N N 15 125.249 0.1 . 1 . . . A 70 ALA N . 19960 1 820 . 1 1 71 71 LYS H H 1 8.110 0.02 . 1 . . . A 71 LYS H . 19960 1 821 . 1 1 71 71 LYS HA H 1 4.338 0.02 . 1 . . . A 71 LYS HA . 19960 1 822 . 1 1 71 71 LYS HB2 H 1 1.960 0.02 . 2 . . . A 71 LYS HB2 . 19960 1 823 . 1 1 71 71 LYS HB3 H 1 1.901 0.02 . 2 . . . A 71 LYS HB3 . 19960 1 824 . 1 1 71 71 LYS HG2 H 1 1.549 0.02 . 1 . . . A 71 LYS HG2 . 19960 1 825 . 1 1 71 71 LYS HG3 H 1 1.549 0.02 . 1 . . . A 71 LYS HG3 . 19960 1 826 . 1 1 71 71 LYS HD2 H 1 1.789 0.02 . 1 . . . A 71 LYS HD2 . 19960 1 827 . 1 1 71 71 LYS HD3 H 1 1.789 0.02 . 1 . . . A 71 LYS HD3 . 19960 1 828 . 1 1 71 71 LYS HE2 H 1 3.093 0.02 . 1 . . . A 71 LYS HE2 . 19960 1 829 . 1 1 71 71 LYS HE3 H 1 3.093 0.02 . 1 . . . A 71 LYS HE3 . 19960 1 830 . 1 1 71 71 LYS CA C 13 57.306 0.1 . 1 . . . A 71 LYS CA . 19960 1 831 . 1 1 71 71 LYS CB C 13 32.889 0.1 . 1 . . . A 71 LYS CB . 19960 1 832 . 1 1 71 71 LYS CG C 13 25.411 0.1 . 1 . . . A 71 LYS CG . 19960 1 833 . 1 1 71 71 LYS CD C 13 29.501 0.1 . 1 . . . A 71 LYS CD . 19960 1 834 . 1 1 71 71 LYS CE C 13 42.681 0.1 . 1 . . . A 71 LYS CE . 19960 1 835 . 1 1 71 71 LYS N N 15 119.035 0.1 . 1 . . . A 71 LYS N . 19960 1 836 . 1 1 72 72 MET H H 1 8.139 0.02 . 1 . . . A 72 MET H . 19960 1 837 . 1 1 72 72 MET HA H 1 4.521 0.02 . 1 . . . A 72 MET HA . 19960 1 838 . 1 1 72 72 MET HB2 H 1 2.655 0.02 . 2 . . . A 72 MET HB2 . 19960 1 839 . 1 1 72 72 MET HB3 H 1 2.174 0.02 . 2 . . . A 72 MET HB3 . 19960 1 840 . 1 1 72 72 MET HG2 H 1 2.738 0.02 . 2 . . . A 72 MET HG2 . 19960 1 841 . 1 1 72 72 MET HG3 H 1 2.192 0.02 . 2 . . . A 72 MET HG3 . 19960 1 842 . 1 1 72 72 MET CA C 13 56.135 0.1 . 1 . . . A 72 MET CA . 19960 1 843 . 1 1 72 72 MET CB C 13 32.753 0.1 . 1 . . . A 72 MET CB . 19960 1 844 . 1 1 72 72 MET CG C 13 32.682 0.1 . 1 . . . A 72 MET CG . 19960 1 845 . 1 1 72 72 MET N N 15 120.059 0.1 . 1 . . . A 72 MET N . 19960 1 846 . 1 1 73 73 LYS H H 1 8.228 0.02 . 1 . . . A 73 LYS H . 19960 1 847 . 1 1 73 73 LYS HA H 1 4.376 0.02 . 1 . . . A 73 LYS HA . 19960 1 848 . 1 1 73 73 LYS HB2 H 1 1.919 0.02 . 1 . . . A 73 LYS HB2 . 19960 1 849 . 1 1 73 73 LYS HB3 H 1 1.919 0.02 . 1 . . . A 73 LYS HB3 . 19960 1 850 . 1 1 73 73 LYS HG2 H 1 1.560 0.02 . 1 . . . A 73 LYS HG2 . 19960 1 851 . 1 1 73 73 LYS HG3 H 1 1.560 0.02 . 1 . . . A 73 LYS HG3 . 19960 1 852 . 1 1 73 73 LYS HD2 H 1 1.784 0.02 . 1 . . . A 73 LYS HD2 . 19960 1 853 . 1 1 73 73 LYS HD3 H 1 1.784 0.02 . 1 . . . A 73 LYS HD3 . 19960 1 854 . 1 1 73 73 LYS HE2 H 1 3.097 0.02 . 1 . . . A 73 LYS HE2 . 19960 1 855 . 1 1 73 73 LYS HE3 H 1 3.097 0.02 . 1 . . . A 73 LYS HE3 . 19960 1 856 . 1 1 73 73 LYS CA C 13 56.915 0.1 . 1 . . . A 73 LYS CA . 19960 1 857 . 1 1 73 73 LYS CB C 13 33.112 0.1 . 1 . . . A 73 LYS CB . 19960 1 858 . 1 1 73 73 LYS CG C 13 25.297 0.1 . 1 . . . A 73 LYS CG . 19960 1 859 . 1 1 73 73 LYS CD C 13 29.501 0.1 . 1 . . . A 73 LYS CD . 19960 1 860 . 1 1 73 73 LYS CE C 13 42.454 0.1 . 1 . . . A 73 LYS CE . 19960 1 861 . 1 1 73 73 LYS N N 15 122.391 0.1 . 1 . . . A 73 LYS N . 19960 1 862 . 1 1 74 74 ARG H H 1 8.311 0.02 . 1 . . . A 74 ARG H . 19960 1 863 . 1 1 74 74 ARG HA H 1 4.430 0.02 . 1 . . . A 74 ARG HA . 19960 1 864 . 1 1 74 74 ARG HB2 H 1 1.913 0.02 . 1 . . . A 74 ARG HB2 . 19960 1 865 . 1 1 74 74 ARG HB3 H 1 1.913 0.02 . 1 . . . A 74 ARG HB3 . 19960 1 866 . 1 1 74 74 ARG HG2 H 1 1.739 0.02 . 1 . . . A 74 ARG HG2 . 19960 1 867 . 1 1 74 74 ARG HG3 H 1 1.739 0.02 . 1 . . . A 74 ARG HG3 . 19960 1 868 . 1 1 74 74 ARG HD2 H 1 3.298 0.02 . 1 . . . A 74 ARG HD2 . 19960 1 869 . 1 1 74 74 ARG HD3 H 1 3.298 0.02 . 1 . . . A 74 ARG HD3 . 19960 1 870 . 1 1 74 74 ARG CA C 13 56.470 0.1 . 1 . . . A 74 ARG CA . 19960 1 871 . 1 1 74 74 ARG CB C 13 31.217 0.1 . 1 . . . A 74 ARG CB . 19960 1 872 . 1 1 74 74 ARG CG C 13 27.797 0.1 . 1 . . . A 74 ARG CG . 19960 1 873 . 1 1 74 74 ARG CD C 13 43.931 0.1 . 1 . . . A 74 ARG CD . 19960 1 874 . 1 1 74 74 ARG N N 15 122.328 0.1 . 1 . . . A 74 ARG N . 19960 1 875 . 1 1 75 75 ARG H H 1 8.460 0.02 . 1 . . . A 75 ARG H . 19960 1 876 . 1 1 75 75 ARG HA H 1 4.488 0.02 . 1 . . . A 75 ARG HA . 19960 1 877 . 1 1 75 75 ARG HB2 H 1 1.933 0.02 . 1 . . . A 75 ARG HB2 . 19960 1 878 . 1 1 75 75 ARG HB3 H 1 1.933 0.02 . 1 . . . A 75 ARG HB3 . 19960 1 879 . 1 1 75 75 ARG HG2 H 1 1.761 0.02 . 1 . . . A 75 ARG HG2 . 19960 1 880 . 1 1 75 75 ARG HG3 H 1 1.761 0.02 . 1 . . . A 75 ARG HG3 . 19960 1 881 . 1 1 75 75 ARG HD2 H 1 3.290 0.02 . 1 . . . A 75 ARG HD2 . 19960 1 882 . 1 1 75 75 ARG HD3 H 1 3.290 0.02 . 1 . . . A 75 ARG HD3 . 19960 1 883 . 1 1 75 75 ARG CA C 13 56.470 0.1 . 1 . . . A 75 ARG CA . 19960 1 884 . 1 1 75 75 ARG CB C 13 31.328 0.1 . 1 . . . A 75 ARG CB . 19960 1 885 . 1 1 75 75 ARG CG C 13 27.342 0.1 . 1 . . . A 75 ARG CG . 19960 1 886 . 1 1 75 75 ARG CD C 13 43.931 0.1 . 1 . . . A 75 ARG CD . 19960 1 887 . 1 1 75 75 ARG N N 15 122.788 0.1 . 1 . . . A 75 ARG N . 19960 1 888 . 1 1 76 76 SER H H 1 8.467 0.02 . 1 . . . A 76 SER H . 19960 1 889 . 1 1 76 76 SER HA H 1 4.581 0.02 . 1 . . . A 76 SER HA . 19960 1 890 . 1 1 76 76 SER HB2 H 1 3.987 0.02 . 1 . . . A 76 SER HB2 . 19960 1 891 . 1 1 76 76 SER HB3 H 1 3.987 0.02 . 1 . . . A 76 SER HB3 . 19960 1 892 . 1 1 76 76 SER CA C 13 58.699 0.1 . 1 . . . A 76 SER CA . 19960 1 893 . 1 1 76 76 SER CB C 13 64.550 0.1 . 1 . . . A 76 SER CB . 19960 1 894 . 1 1 76 76 SER N N 15 117.676 0.1 . 1 . . . A 76 SER N . 19960 1 895 . 1 1 77 77 SER H H 1 8.046 0.02 . 1 . . . A 77 SER H . 19960 1 896 . 1 1 77 77 SER HA H 1 4.342 0.02 . 1 . . . A 77 SER HA . 19960 1 897 . 1 1 77 77 SER HB2 H 1 3.925 0.02 . 1 . . . A 77 SER HB2 . 19960 1 898 . 1 1 77 77 SER HB3 H 1 3.925 0.02 . 1 . . . A 77 SER HB3 . 19960 1 899 . 1 1 77 77 SER CA C 13 60.310 0.1 . 1 . . . A 77 SER CA . 19960 1 900 . 1 1 77 77 SER CB C 13 64.517 0.1 . 1 . . . A 77 SER CB . 19960 1 901 . 1 1 77 77 SER N N 15 122.974 0.1 . 1 . . . A 77 SER N . 19960 1 stop_ save_