data_52209 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52209 _Entry.Title ; Chemical shifts of constitutively monomeric CXCL12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-16 _Entry.Accession_date 2023-11-16 _Entry.Last_release_date 2023-11-16 _Entry.Original_release_date 2023-11-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Malisa Mantonico . V. . . 52209 2 Giacomo Quilici . . . . 52209 3 Giovanna Musco . . . . 52209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 52209 '15N chemical shifts' 62 52209 '1H chemical shifts' 433 52209 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-02-22 2023-11-16 update BMRB 'update entry citation' 52209 1 . . 2024-01-06 2023-11-16 original author 'original release' 52209 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25694 'Structure of constitutively monomeric CXCL12 in complex with the CXCR4 N-terminus' 52209 PDB 2n55 'Structure of constitutively monomeric CXCL12 in complex with the CXCR4 N-terminus' 52209 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52209 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38331917 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The acidic intrinsically disordered region of the inflammatory mediator HMGB1 mediates fuzzy interactions with CXCL12 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1201 _Citation.Page_last 1201 _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Malisa Vittoria' Mantonico M. V. . . 52209 1 2 Federica 'De Leo' F. . . . 52209 1 3 Giacomo Quilici G. . . . 52209 1 4 'Liam Sean' Colley L. S. . . 52209 1 5 Francesco 'De Marchis' F. . . . 52209 1 6 Massimo Crippa M. . . . 52209 1 7 Rosanna Mezzapelle R. . . . 52209 1 8 Tim Schulte T. . . . 52209 1 9 Chiara Zucchelli C. . . . 52209 1 10 Chiara Pastorello C. . . . 52209 1 11 Camilla Carmeno C. . . . 52209 1 12 Francesca Caprioglio F. . . . 52209 1 13 Stefano Ricagno S. . . . 52209 1 14 Gabriele Giachin G. . . . 52209 1 15 Michela Ghitti M. . . . 52209 1 16 'Marco Emilio' Bianchi M. E. . . 52209 1 17 Giovanna Musco G. . . . 52209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52209 _Assembly.ID 1 _Assembly.Name CXCL12-LM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 CXCL12-LM 1 $entity_1 . . yes native no no . . . 52209 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_asym_ID_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_asym_ID_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 10 10 SG . 1 . 1 CYS 35 35 SG . . . 9 CYS SG . . . 34 CYS SG 52209 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 51 51 SG . . . 11 CYS SG . . . 50 CYS SG 52209 1 3 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 59 59 SG . . . 55 CYS SG . . . 58 CYS SG 52209 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2n55 . . 'solution NMR' . . . 52209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPVSLSYRCPCRFFESHVA RANVKHLKILNTPNCALQIV ARLKNNNRQVCIDPKCKWCQ EYLEKALNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq KPVSLSYRCPCRFFESHVARANVKHLKILNTPNCALQIVARLKNNNRQVCIDPKCKWCQEYLEKALNK _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'L55C I58C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 2n55 . . . . . . . . . . . . . . . . 52209 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 0 MET . 52209 1 2 1 LYS . 52209 1 3 2 PRO . 52209 1 4 3 VAL . 52209 1 5 4 SER . 52209 1 6 5 LEU . 52209 1 7 6 SER . 52209 1 8 7 TYR . 52209 1 9 8 ARG . 52209 1 10 9 CYS . 52209 1 11 10 PRO . 52209 1 12 11 CYS . 52209 1 13 12 ARG . 52209 1 14 13 PHE . 52209 1 15 14 PHE . 52209 1 16 15 GLU . 52209 1 17 16 SER . 52209 1 18 17 HIS . 52209 1 19 18 VAL . 52209 1 20 19 ALA . 52209 1 21 20 ARG . 52209 1 22 21 ALA . 52209 1 23 22 ASN . 52209 1 24 23 VAL . 52209 1 25 24 LYS . 52209 1 26 25 HIS . 52209 1 27 26 LEU . 52209 1 28 27 LYS . 52209 1 29 28 ILE . 52209 1 30 29 LEU . 52209 1 31 30 ASN . 52209 1 32 31 THR . 52209 1 33 32 PRO . 52209 1 34 33 ASN . 52209 1 35 34 CYS . 52209 1 36 35 ALA . 52209 1 37 36 LEU . 52209 1 38 37 GLN . 52209 1 39 38 ILE . 52209 1 40 39 VAL . 52209 1 41 40 ALA . 52209 1 42 41 ARG . 52209 1 43 42 LEU . 52209 1 44 43 LYS . 52209 1 45 44 ASN . 52209 1 46 45 ASN . 52209 1 47 46 ASN . 52209 1 48 47 ARG . 52209 1 49 48 GLN . 52209 1 50 49 VAL . 52209 1 51 50 CYS . 52209 1 52 51 ILE . 52209 1 53 52 ASP . 52209 1 54 53 PRO . 52209 1 55 54 LYS . 52209 1 56 55 CYS . 52209 1 57 56 LYS . 52209 1 58 57 TRP . 52209 1 59 58 CYS . 52209 1 60 59 GLN . 52209 1 61 60 GLU . 52209 1 62 61 TYR . 52209 1 63 62 LEU . 52209 1 64 63 GLU . 52209 1 65 64 LYS . 52209 1 66 65 ALA . 52209 1 67 66 LEU . 52209 1 68 67 ASN . 52209 1 69 68 LYS . 52209 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52209 1 . LYS 2 2 52209 1 . PRO 3 3 52209 1 . VAL 4 4 52209 1 . SER 5 5 52209 1 . LEU 6 6 52209 1 . SER 7 7 52209 1 . TYR 8 8 52209 1 . ARG 9 9 52209 1 . CYS 10 10 52209 1 . PRO 11 11 52209 1 . CYS 12 12 52209 1 . ARG 13 13 52209 1 . PHE 14 14 52209 1 . PHE 15 15 52209 1 . GLU 16 16 52209 1 . SER 17 17 52209 1 . HIS 18 18 52209 1 . VAL 19 19 52209 1 . ALA 20 20 52209 1 . ARG 21 21 52209 1 . ALA 22 22 52209 1 . ASN 23 23 52209 1 . VAL 24 24 52209 1 . LYS 25 25 52209 1 . HIS 26 26 52209 1 . LEU 27 27 52209 1 . LYS 28 28 52209 1 . ILE 29 29 52209 1 . LEU 30 30 52209 1 . ASN 31 31 52209 1 . THR 32 32 52209 1 . PRO 33 33 52209 1 . ASN 34 34 52209 1 . CYS 35 35 52209 1 . ALA 36 36 52209 1 . LEU 37 37 52209 1 . GLN 38 38 52209 1 . ILE 39 39 52209 1 . VAL 40 40 52209 1 . ALA 41 41 52209 1 . ARG 42 42 52209 1 . LEU 43 43 52209 1 . LYS 44 44 52209 1 . ASN 45 45 52209 1 . ASN 46 46 52209 1 . ASN 47 47 52209 1 . ARG 48 48 52209 1 . GLN 49 49 52209 1 . VAL 50 50 52209 1 . CYS 51 51 52209 1 . ILE 52 52 52209 1 . ASP 53 53 52209 1 . PRO 54 54 52209 1 . LYS 55 55 52209 1 . CYS 56 56 52209 1 . LYS 57 57 52209 1 . TRP 58 58 52209 1 . CYS 59 59 52209 1 . GLN 60 60 52209 1 . GLU 61 61 52209 1 . TYR 62 62 52209 1 . LEU 63 63 52209 1 . GLU 64 64 52209 1 . LYS 65 65 52209 1 . ALA 66 66 52209 1 . LEU 67 67 52209 1 . ASN 68 68 52209 1 . LYS 69 69 52209 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52209 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52209 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52209 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET30a . . . 52209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52209 _Sample.ID 1 _Sample.Name 'Constitutively monomeric CXCL12 (CXCL12-LM)' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 CXCL12-LM '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 52209 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52209 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52209 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52209 1 5 DSS 'natural abundance' . . . . . . 0.15 . . mM . . . . 52209 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 52209 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'In vitro physiological conditions' _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' 150 . mM 52209 1 pH 7.3 . pH 52209 1 pressure 1 . atm 52209 1 temperature 298 . K 52209 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52209 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52209 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52209 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 2 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 3 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 4 '3D CBCACONH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 5 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 6 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52209 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52209 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CXCL12-LM _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 52209 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52209 1 N 15 na nitrogen . . . . na 0 na direct 1 . . . . . 52209 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CS_CXCL12-LM _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52209 1 2 '2D 1H-13C HSQC' . . . 52209 1 3 '3D HNCA' . . . 52209 1 4 '3D CBCACONH' . . . 52209 1 5 '3D CBCA(CO)NH' . . . 52209 1 6 '3D HNCO' . . . 52209 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52209 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 PRO HA H 1 4.457 0.004 . 1 . . . . . 2 PRO HA . 52209 1 2 . 1 . 1 3 3 PRO HB2 H 1 2.278 0.005 . 2 . . . . . 2 PRO HB2 . 52209 1 3 . 1 . 1 3 3 PRO HB3 H 1 1.878 0.006 . 2 . . . . . 2 PRO HB3 . 52209 1 4 . 1 . 1 3 3 PRO HG2 H 1 2.025 0.005 . 1 . . . . . 2 PRO HG2 . 52209 1 5 . 1 . 1 3 3 PRO HG3 H 1 2.025 0.005 . 1 . . . . . 2 PRO HG3 . 52209 1 6 . 1 . 1 3 3 PRO HD2 H 1 3.864 0.006 . 2 . . . . . 2 PRO HD2 . 52209 1 7 . 1 . 1 3 3 PRO HD3 H 1 3.647 0.002 . 2 . . . . . 2 PRO HD3 . 52209 1 8 . 1 . 1 3 3 PRO C C 13 177.047 0.000 . 1 . . . . . 2 PRO C . 52209 1 9 . 1 . 1 3 3 PRO CA C 13 63.038 0.056 . 1 . . . . . 2 PRO CA . 52209 1 10 . 1 . 1 3 3 PRO CB C 13 32.157 0.034 . 1 . . . . . 2 PRO CB . 52209 1 11 . 1 . 1 3 3 PRO CG C 13 27.573 0.011 . 1 . . . . . 2 PRO CG . 52209 1 12 . 1 . 1 3 3 PRO CD C 13 50.862 0.015 . 1 . . . . . 2 PRO CD . 52209 1 13 . 1 . 1 4 4 VAL H H 1 8.259 0.001 . 1 . . . . . 3 VAL H . 52209 1 14 . 1 . 1 4 4 VAL HA H 1 4.081 0.006 . 1 . . . . . 3 VAL HA . 52209 1 15 . 1 . 1 4 4 VAL HB H 1 2.054 0.005 . 1 . . . . . 3 VAL HB . 52209 1 16 . 1 . 1 4 4 VAL HG11 H 1 0.945 0.004 . 2 . . . . . 3 VAL HG11 . 52209 1 17 . 1 . 1 4 4 VAL HG12 H 1 0.945 0.004 . 2 . . . . . 3 VAL HG12 . 52209 1 18 . 1 . 1 4 4 VAL HG13 H 1 0.945 0.004 . 2 . . . . . 3 VAL HG13 . 52209 1 19 . 1 . 1 4 4 VAL HG21 H 1 0.948 0.002 . 2 . . . . . 3 VAL HG21 . 52209 1 20 . 1 . 1 4 4 VAL HG22 H 1 0.948 0.002 . 2 . . . . . 3 VAL HG22 . 52209 1 21 . 1 . 1 4 4 VAL HG23 H 1 0.948 0.002 . 2 . . . . . 3 VAL HG23 . 52209 1 22 . 1 . 1 4 4 VAL C C 13 176.418 0.000 . 1 . . . . . 3 VAL C . 52209 1 23 . 1 . 1 4 4 VAL CA C 13 62.438 0.069 . 1 . . . . . 3 VAL CA . 52209 1 24 . 1 . 1 4 4 VAL CB C 13 32.843 0.038 . 1 . . . . . 3 VAL CB . 52209 1 25 . 1 . 1 4 4 VAL CG2 C 13 21.071 0.013 . 1 . . . . . 3 VAL CG2 . 52209 1 26 . 1 . 1 4 4 VAL N N 15 121.377 0.008 . 1 . . . . . 3 VAL N . 52209 1 27 . 1 . 1 5 5 SER H H 1 8.319 0.002 . 1 . . . . . 4 SER H . 52209 1 28 . 1 . 1 5 5 SER HA H 1 4.445 0.008 . 1 . . . . . 4 SER HA . 52209 1 29 . 1 . 1 5 5 SER HB2 H 1 3.825 0.008 . 1 . . . . . 4 SER HB2 . 52209 1 30 . 1 . 1 5 5 SER HB3 H 1 3.825 0.008 . 1 . . . . . 4 SER HB3 . 52209 1 31 . 1 . 1 5 5 SER C C 13 174.645 0.000 . 1 . . . . . 4 SER C . 52209 1 32 . 1 . 1 5 5 SER CA C 13 58.002 0.057 . 1 . . . . . 4 SER CA . 52209 1 33 . 1 . 1 5 5 SER CB C 13 63.749 0.030 . 1 . . . . . 4 SER CB . 52209 1 34 . 1 . 1 5 5 SER N N 15 119.818 0.015 . 1 . . . . . 4 SER N . 52209 1 35 . 1 . 1 6 6 LEU H H 1 8.315 0.002 . 1 . . . . . 5 LEU H . 52209 1 36 . 1 . 1 6 6 LEU HA H 1 4.350 0.000 . 1 . . . . . 5 LEU HA . 52209 1 37 . 1 . 1 6 6 LEU HB2 H 1 1.603 0.000 . 2 . . . . . 5 LEU HB2 . 52209 1 38 . 1 . 1 6 6 LEU HB3 H 1 1.523 0.000 . 2 . . . . . 5 LEU HB3 . 52209 1 39 . 1 . 1 6 6 LEU HG H 1 1.658 0.000 . 1 . . . . . 5 LEU HG . 52209 1 40 . 1 . 1 6 6 LEU HD11 H 1 0.888 0.000 . 2 . . . . . 5 LEU HD11 . 52209 1 41 . 1 . 1 6 6 LEU HD12 H 1 0.888 0.000 . 2 . . . . . 5 LEU HD12 . 52209 1 42 . 1 . 1 6 6 LEU HD13 H 1 0.888 0.000 . 2 . . . . . 5 LEU HD13 . 52209 1 43 . 1 . 1 6 6 LEU HD21 H 1 0.851 0.000 . 2 . . . . . 5 LEU HD21 . 52209 1 44 . 1 . 1 6 6 LEU HD22 H 1 0.851 0.000 . 2 . . . . . 5 LEU HD22 . 52209 1 45 . 1 . 1 6 6 LEU HD23 H 1 0.851 0.000 . 2 . . . . . 5 LEU HD23 . 52209 1 46 . 1 . 1 6 6 LEU C C 13 177.393 0.000 . 1 . . . . . 5 LEU C . 52209 1 47 . 1 . 1 6 6 LEU CA C 13 55.337 0.046 . 1 . . . . . 5 LEU CA . 52209 1 48 . 1 . 1 6 6 LEU CB C 13 42.394 0.040 . 1 . . . . . 5 LEU CB . 52209 1 49 . 1 . 1 6 6 LEU CG C 13 27.289 0.000 . 1 . . . . . 5 LEU CG . 52209 1 50 . 1 . 1 6 6 LEU N N 15 125.449 0.014 . 1 . . . . . 5 LEU N . 52209 1 51 . 1 . 1 7 7 SER H H 1 8.159 0.003 . 1 . . . . . 6 SER H . 52209 1 52 . 1 . 1 7 7 SER HA H 1 4.381 0.004 . 1 . . . . . 6 SER HA . 52209 1 53 . 1 . 1 7 7 SER HB2 H 1 3.776 0.009 . 1 . . . . . 6 SER HB2 . 52209 1 54 . 1 . 1 7 7 SER HB3 H 1 3.776 0.009 . 1 . . . . . 6 SER HB3 . 52209 1 55 . 1 . 1 7 7 SER C C 13 174.258 0.000 . 1 . . . . . 6 SER C . 52209 1 56 . 1 . 1 7 7 SER CA C 13 58.300 0.050 . 1 . . . . . 6 SER CA . 52209 1 57 . 1 . 1 7 7 SER CB C 13 63.736 0.040 . 1 . . . . . 6 SER CB . 52209 1 58 . 1 . 1 7 7 SER N N 15 116.505 0.021 . 1 . . . . . 6 SER N . 52209 1 59 . 1 . 1 8 8 TYR H H 1 8.002 0.002 . 1 . . . . . 7 TYR H . 52209 1 60 . 1 . 1 8 8 TYR HA H 1 4.535 0.004 . 1 . . . . . 7 TYR HA . 52209 1 61 . 1 . 1 8 8 TYR HB2 H 1 3.054 0.004 . 2 . . . . . 7 TYR HB2 . 52209 1 62 . 1 . 1 8 8 TYR HB3 H 1 2.920 0.002 . 2 . . . . . 7 TYR HB3 . 52209 1 63 . 1 . 1 8 8 TYR HD1 H 1 7.115 0.002 . 1 . . . . . 7 TYR HD1 . 52209 1 64 . 1 . 1 8 8 TYR HD2 H 1 7.115 0.002 . 1 . . . . . 7 TYR HD2 . 52209 1 65 . 1 . 1 8 8 TYR HE1 H 1 6.817 0.008 . 1 . . . . . 7 TYR HE1 . 52209 1 66 . 1 . 1 8 8 TYR HE2 H 1 6.817 0.008 . 1 . . . . . 7 TYR HE2 . 52209 1 67 . 1 . 1 8 8 TYR C C 13 175.536 0.000 . 1 . . . . . 7 TYR C . 52209 1 68 . 1 . 1 8 8 TYR CA C 13 57.906 0.061 . 1 . . . . . 7 TYR CA . 52209 1 69 . 1 . 1 8 8 TYR CB C 13 38.856 0.056 . 1 . . . . . 7 TYR CB . 52209 1 70 . 1 . 1 8 8 TYR CE1 C 13 118.302 0.000 . 1 . . . . . 7 TYR CE1 . 52209 1 71 . 1 . 1 8 8 TYR CE2 C 13 118.302 0.000 . 1 . . . . . 7 TYR CE2 . 52209 1 72 . 1 . 1 8 8 TYR N N 15 122.779 0.014 . 1 . . . . . 7 TYR N . 52209 1 73 . 1 . 1 9 9 ARG H H 1 8.119 0.001 . 1 . . . . . 8 ARG H . 52209 1 74 . 1 . 1 9 9 ARG HA H 1 4.284 0.006 . 1 . . . . . 8 ARG HA . 52209 1 75 . 1 . 1 9 9 ARG HB2 H 1 1.799 0.016 . 2 . . . . . 8 ARG HB2 . 52209 1 76 . 1 . 1 9 9 ARG HB3 H 1 1.684 0.009 . 2 . . . . . 8 ARG HB3 . 52209 1 77 . 1 . 1 9 9 ARG HG2 H 1 1.517 0.008 . 2 . . . . . 8 ARG HG2 . 52209 1 78 . 1 . 1 9 9 ARG HG3 H 1 1.667 0.013 . 2 . . . . . 8 ARG HG3 . 52209 1 79 . 1 . 1 9 9 ARG HD2 H 1 3.145 0.004 . 1 . . . . . 8 ARG HD2 . 52209 1 80 . 1 . 1 9 9 ARG HD3 H 1 3.145 0.004 . 1 . . . . . 8 ARG HD3 . 52209 1 81 . 1 . 1 9 9 ARG C C 13 175.927 0.000 . 1 . . . . . 8 ARG C . 52209 1 82 . 1 . 1 9 9 ARG CA C 13 56.020 0.052 . 1 . . . . . 8 ARG CA . 52209 1 83 . 1 . 1 9 9 ARG CB C 13 30.774 0.096 . 1 . . . . . 8 ARG CB . 52209 1 84 . 1 . 1 9 9 ARG CG C 13 27.137 0.066 . 1 . . . . . 8 ARG CG . 52209 1 85 . 1 . 1 9 9 ARG CD C 13 43.420 0.015 . 1 . . . . . 8 ARG CD . 52209 1 86 . 1 . 1 9 9 ARG N N 15 122.699 0.017 . 1 . . . . . 8 ARG N . 52209 1 87 . 1 . 1 10 10 CYS H H 1 8.135 0.002 . 1 . . . . . 9 CYS H . 52209 1 88 . 1 . 1 10 10 CYS CA C 13 53.074 0.063 . 1 . . . . . 9 CYS CA . 52209 1 89 . 1 . 1 10 10 CYS CB C 13 39.938 0.000 . 1 . . . . . 9 CYS CB . 52209 1 90 . 1 . 1 10 10 CYS N N 15 121.688 0.019 . 1 . . . . . 9 CYS N . 52209 1 91 . 1 . 1 11 11 PRO HA H 1 4.330 0.005 . 1 . . . . . 10 PRO HA . 52209 1 92 . 1 . 1 11 11 PRO HB2 H 1 1.894 0.011 . 2 . . . . . 10 PRO HB2 . 52209 1 93 . 1 . 1 11 11 PRO HB3 H 1 2.277 0.003 . 2 . . . . . 10 PRO HB3 . 52209 1 94 . 1 . 1 11 11 PRO HG2 H 1 2.039 0.012 . 1 . . . . . 10 PRO HG2 . 52209 1 95 . 1 . 1 11 11 PRO HG3 H 1 2.039 0.012 . 1 . . . . . 10 PRO HG3 . 52209 1 96 . 1 . 1 11 11 PRO C C 13 177.419 0.000 . 1 . . . . . 10 PRO C . 52209 1 97 . 1 . 1 11 11 PRO CA C 13 64.790 0.042 . 1 . . . . . 10 PRO CA . 52209 1 98 . 1 . 1 11 11 PRO CB C 13 32.105 0.051 . 1 . . . . . 10 PRO CB . 52209 1 99 . 1 . 1 11 11 PRO CG C 13 27.637 0.056 . 1 . . . . . 10 PRO CG . 52209 1 100 . 1 . 1 11 11 PRO CD C 13 50.965 0.000 . 1 . . . . . 10 PRO CD . 52209 1 101 . 1 . 1 12 12 CYS H H 1 8.211 0.003 . 1 . . . . . 11 CYS H . 52209 1 102 . 1 . 1 12 12 CYS CA C 13 54.067 0.064 . 1 . . . . . 11 CYS CA . 52209 1 103 . 1 . 1 12 12 CYS CB C 13 42.248 0.000 . 1 . . . . . 11 CYS CB . 52209 1 104 . 1 . 1 12 12 CYS N N 15 114.994 0.018 . 1 . . . . . 11 CYS N . 52209 1 105 . 1 . 1 13 13 ARG HA H 1 4.033 0.006 . 1 . . . . . 12 ARG HA . 52209 1 106 . 1 . 1 13 13 ARG HB2 H 1 1.514 0.004 . 1 . . . . . 12 ARG HB2 . 52209 1 107 . 1 . 1 13 13 ARG HB3 H 1 1.514 0.005 . 1 . . . . . 12 ARG HB3 . 52209 1 108 . 1 . 1 13 13 ARG HG2 H 1 1.323 0.005 . 2 . . . . . 12 ARG HG2 . 52209 1 109 . 1 . 1 13 13 ARG HG3 H 1 1.217 0.004 . 2 . . . . . 12 ARG HG3 . 52209 1 110 . 1 . 1 13 13 ARG HD2 H 1 2.997 0.006 . 1 . . . . . 12 ARG HD2 . 52209 1 111 . 1 . 1 13 13 ARG HD3 H 1 2.997 0.005 . 1 . . . . . 12 ARG HD3 . 52209 1 112 . 1 . 1 13 13 ARG C C 13 175.112 0.000 . 1 . . . . . 12 ARG C . 52209 1 113 . 1 . 1 13 13 ARG CA C 13 56.865 0.024 . 1 . . . . . 12 ARG CA . 52209 1 114 . 1 . 1 13 13 ARG CB C 13 31.251 0.047 . 1 . . . . . 12 ARG CB . 52209 1 115 . 1 . 1 13 13 ARG CG C 13 26.937 0.056 . 1 . . . . . 12 ARG CG . 52209 1 116 . 1 . 1 13 13 ARG CD C 13 43.325 0.070 . 1 . . . . . 12 ARG CD . 52209 1 117 . 1 . 1 14 14 PHE H H 1 7.504 0.002 . 1 . . . . . 13 PHE H . 52209 1 118 . 1 . 1 14 14 PHE HA H 1 4.593 0.006 . 1 . . . . . 13 PHE HA . 52209 1 119 . 1 . 1 14 14 PHE HB2 H 1 3.137 0.005 . 2 . . . . . 13 PHE HB2 . 52209 1 120 . 1 . 1 14 14 PHE HB3 H 1 2.834 0.007 . 2 . . . . . 13 PHE HB3 . 52209 1 121 . 1 . 1 14 14 PHE HD1 H 1 7.212 0.002 . 1 . . . . . 13 PHE HD1 . 52209 1 122 . 1 . 1 14 14 PHE HD2 H 1 7.212 0.002 . 1 . . . . . 13 PHE HD2 . 52209 1 123 . 1 . 1 14 14 PHE HE1 H 1 7.349 0.001 . 1 . . . . . 13 PHE HE1 . 52209 1 124 . 1 . 1 14 14 PHE HE2 H 1 7.349 0.001 . 1 . . . . . 13 PHE HE2 . 52209 1 125 . 1 . 1 14 14 PHE HZ H 1 7.305 0.000 . 1 . . . . . 13 PHE HZ . 52209 1 126 . 1 . 1 14 14 PHE C C 13 174.264 0.000 . 1 . . . . . 13 PHE C . 52209 1 127 . 1 . 1 14 14 PHE CA C 13 55.813 0.062 . 1 . . . . . 13 PHE CA . 52209 1 128 . 1 . 1 14 14 PHE CB C 13 41.130 0.137 . 1 . . . . . 13 PHE CB . 52209 1 129 . 1 . 1 14 14 PHE N N 15 116.812 0.020 . 1 . . . . . 13 PHE N . 52209 1 130 . 1 . 1 15 15 PHE H H 1 8.473 0.001 . 1 . . . . . 14 PHE H . 52209 1 131 . 1 . 1 15 15 PHE HA H 1 4.942 0.002 . 1 . . . . . 14 PHE HA . 52209 1 132 . 1 . 1 15 15 PHE HB2 H 1 2.846 0.010 . 2 . . . . . 14 PHE HB2 . 52209 1 133 . 1 . 1 15 15 PHE HB3 H 1 2.826 0.002 . 2 . . . . . 14 PHE HB3 . 52209 1 134 . 1 . 1 15 15 PHE HD1 H 1 7.027 0.001 . 1 . . . . . 14 PHE HD1 . 52209 1 135 . 1 . 1 15 15 PHE HD2 H 1 7.027 0.001 . 1 . . . . . 14 PHE HD2 . 52209 1 136 . 1 . 1 15 15 PHE HE1 H 1 7.285 0.004 . 1 . . . . . 14 PHE HE1 . 52209 1 137 . 1 . 1 15 15 PHE HE2 H 1 7.285 0.004 . 1 . . . . . 14 PHE HE2 . 52209 1 138 . 1 . 1 15 15 PHE HZ H 1 7.224 0.005 . 1 . . . . . 14 PHE HZ . 52209 1 139 . 1 . 1 15 15 PHE C C 13 175.607 0.000 . 1 . . . . . 14 PHE C . 52209 1 140 . 1 . 1 15 15 PHE CA C 13 55.795 0.078 . 1 . . . . . 14 PHE CA . 52209 1 141 . 1 . 1 15 15 PHE CB C 13 41.242 0.154 . 1 . . . . . 14 PHE CB . 52209 1 142 . 1 . 1 15 15 PHE CD1 C 13 131.499 0.000 . 1 . . . . . 14 PHE CD1 . 52209 1 143 . 1 . 1 15 15 PHE CD2 C 13 131.499 0.000 . 1 . . . . . 14 PHE CD2 . 52209 1 144 . 1 . 1 15 15 PHE N N 15 120.617 0.009 . 1 . . . . . 14 PHE N . 52209 1 145 . 1 . 1 16 16 GLU H H 1 8.911 0.002 . 1 . . . . . 15 GLU H . 52209 1 146 . 1 . 1 16 16 GLU HA H 1 4.595 0.004 . 1 . . . . . 15 GLU HA . 52209 1 147 . 1 . 1 16 16 GLU HB2 H 1 2.077 0.008 . 2 . . . . . 15 GLU HB2 . 52209 1 148 . 1 . 1 16 16 GLU HB3 H 1 1.842 0.008 . 2 . . . . . 15 GLU HB3 . 52209 1 149 . 1 . 1 16 16 GLU HG2 H 1 2.375 0.008 . 2 . . . . . 15 GLU HG2 . 52209 1 150 . 1 . 1 16 16 GLU HG3 H 1 2.262 0.008 . 2 . . . . . 15 GLU HG3 . 52209 1 151 . 1 . 1 16 16 GLU C C 13 176.866 0.000 . 1 . . . . . 15 GLU C . 52209 1 152 . 1 . 1 16 16 GLU CA C 13 55.370 0.062 . 1 . . . . . 15 GLU CA . 52209 1 153 . 1 . 1 16 16 GLU CB C 13 31.133 0.032 . 1 . . . . . 15 GLU CB . 52209 1 154 . 1 . 1 16 16 GLU CG C 13 36.055 0.082 . 1 . . . . . 15 GLU CG . 52209 1 155 . 1 . 1 16 16 GLU N N 15 122.830 0.017 . 1 . . . . . 15 GLU N . 52209 1 156 . 1 . 1 17 17 SER H H 1 8.882 0.004 . 1 . . . . . 16 SER H . 52209 1 157 . 1 . 1 17 17 SER HB2 H 1 3.698 0.000 . 1 . . . . . 16 SER HB2 . 52209 1 158 . 1 . 1 17 17 SER HB3 H 1 3.698 0.000 . 1 . . . . . 16 SER HB3 . 52209 1 159 . 1 . 1 17 17 SER CA C 13 59.587 0.016 . 1 . . . . . 16 SER CA . 52209 1 160 . 1 . 1 17 17 SER CB C 13 64.075 0.066 . 1 . . . . . 16 SER CB . 52209 1 161 . 1 . 1 17 17 SER N N 15 120.491 0.023 . 1 . . . . . 16 SER N . 52209 1 162 . 1 . 1 18 18 HIS H H 1 8.560 0.007 . 1 . . . . . 17 HIS H . 52209 1 163 . 1 . 1 18 18 HIS HA H 1 4.620 0.009 . 1 . . . . . 17 HIS HA . 52209 1 164 . 1 . 1 18 18 HIS HB2 H 1 3.175 0.011 . 1 . . . . . 17 HIS HB2 . 52209 1 165 . 1 . 1 18 18 HIS HB3 H 1 3.175 0.011 . 1 . . . . . 17 HIS HB3 . 52209 1 166 . 1 . 1 18 18 HIS HD2 H 1 7.083 0.011 . 1 . . . . . 17 HIS HD2 . 52209 1 167 . 1 . 1 18 18 HIS HE1 H 1 7.942 0.016 . 1 . . . . . 17 HIS HE1 . 52209 1 168 . 1 . 1 18 18 HIS C C 13 174.574 0.000 . 1 . . . . . 17 HIS C . 52209 1 169 . 1 . 1 18 18 HIS CA C 13 56.608 0.075 . 1 . . . . . 17 HIS CA . 52209 1 170 . 1 . 1 18 18 HIS CB C 13 29.904 0.107 . 1 . . . . . 17 HIS CB . 52209 1 171 . 1 . 1 18 18 HIS CD2 C 13 119.912 0.009 . 1 . . . . . 17 HIS CD2 . 52209 1 172 . 1 . 1 18 18 HIS CE1 C 13 138.291 0.045 . 1 . . . . . 17 HIS CE1 . 52209 1 173 . 1 . 1 18 18 HIS N N 15 119.666 0.048 . 1 . . . . . 17 HIS N . 52209 1 174 . 1 . 1 19 19 VAL H H 1 7.773 0.005 . 1 . . . . . 18 VAL H . 52209 1 175 . 1 . 1 19 19 VAL HA H 1 4.137 0.006 . 1 . . . . . 18 VAL HA . 52209 1 176 . 1 . 1 19 19 VAL HB H 1 1.971 0.005 . 1 . . . . . 18 VAL HB . 52209 1 177 . 1 . 1 19 19 VAL HG11 H 1 0.902 0.000 . 1 . . . . . 18 VAL HG11 . 52209 1 178 . 1 . 1 19 19 VAL HG12 H 1 0.902 0.000 . 1 . . . . . 18 VAL HG12 . 52209 1 179 . 1 . 1 19 19 VAL HG13 H 1 0.902 0.000 . 1 . . . . . 18 VAL HG13 . 52209 1 180 . 1 . 1 19 19 VAL HG21 H 1 0.902 0.002 . 1 . . . . . 18 VAL HG21 . 52209 1 181 . 1 . 1 19 19 VAL HG22 H 1 0.902 0.002 . 1 . . . . . 18 VAL HG22 . 52209 1 182 . 1 . 1 19 19 VAL HG23 H 1 0.902 0.002 . 1 . . . . . 18 VAL HG23 . 52209 1 183 . 1 . 1 19 19 VAL CA C 13 61.720 0.056 . 1 . . . . . 18 VAL CA . 52209 1 184 . 1 . 1 19 19 VAL CB C 13 33.785 0.046 . 1 . . . . . 18 VAL CB . 52209 1 185 . 1 . 1 19 19 VAL N N 15 122.650 0.023 . 1 . . . . . 18 VAL N . 52209 1 186 . 1 . 1 20 20 ALA H H 1 8.813 0.002 . 1 . . . . . 19 ALA H . 52209 1 187 . 1 . 1 20 20 ALA HA H 1 4.502 0.003 . 1 . . . . . 19 ALA HA . 52209 1 188 . 1 . 1 20 20 ALA HB1 H 1 1.418 0.003 . 1 . . . . . 19 ALA HB1 . 52209 1 189 . 1 . 1 20 20 ALA HB2 H 1 1.418 0.003 . 1 . . . . . 19 ALA HB2 . 52209 1 190 . 1 . 1 20 20 ALA HB3 H 1 1.418 0.003 . 1 . . . . . 19 ALA HB3 . 52209 1 191 . 1 . 1 20 20 ALA C C 13 178.097 0.000 . 1 . . . . . 19 ALA C . 52209 1 192 . 1 . 1 20 20 ALA CA C 13 51.492 0.048 . 1 . . . . . 19 ALA CA . 52209 1 193 . 1 . 1 20 20 ALA CB C 13 18.799 0.044 . 1 . . . . . 19 ALA CB . 52209 1 194 . 1 . 1 20 20 ALA N N 15 132.859 0.021 . 1 . . . . . 19 ALA N . 52209 1 195 . 1 . 1 21 21 ARG H H 1 8.159 0.002 . 1 . . . . . 20 ARG H . 52209 1 196 . 1 . 1 21 21 ARG HA H 1 2.840 0.006 . 1 . . . . . 20 ARG HA . 52209 1 197 . 1 . 1 21 21 ARG HB2 H 1 1.125 0.003 . 2 . . . . . 20 ARG HB2 . 52209 1 198 . 1 . 1 21 21 ARG HB3 H 1 0.149 0.005 . 2 . . . . . 20 ARG HB3 . 52209 1 199 . 1 . 1 21 21 ARG HG2 H 1 1.027 0.006 . 2 . . . . . 20 ARG HG2 . 52209 1 200 . 1 . 1 21 21 ARG HG3 H 1 0.653 0.003 . 2 . . . . . 20 ARG HG3 . 52209 1 201 . 1 . 1 21 21 ARG C C 13 178.372 0.000 . 1 . . . . . 20 ARG C . 52209 1 202 . 1 . 1 21 21 ARG CA C 13 58.308 0.066 . 1 . . . . . 20 ARG CA . 52209 1 203 . 1 . 1 21 21 ARG CB C 13 28.478 0.052 . 1 . . . . . 20 ARG CB . 52209 1 204 . 1 . 1 21 21 ARG CG C 13 26.262 0.090 . 1 . . . . . 20 ARG CG . 52209 1 205 . 1 . 1 21 21 ARG CD C 13 42.354 0.000 . 1 . . . . . 20 ARG CD . 52209 1 206 . 1 . 1 21 21 ARG N N 15 126.534 0.014 . 1 . . . . . 20 ARG N . 52209 1 207 . 1 . 1 22 22 ALA H H 1 8.263 0.002 . 1 . . . . . 21 ALA H . 52209 1 208 . 1 . 1 22 22 ALA HA H 1 4.065 0.005 . 1 . . . . . 21 ALA HA . 52209 1 209 . 1 . 1 22 22 ALA HB1 H 1 1.283 0.006 . 1 . . . . . 21 ALA HB1 . 52209 1 210 . 1 . 1 22 22 ALA HB2 H 1 1.283 0.006 . 1 . . . . . 21 ALA HB2 . 52209 1 211 . 1 . 1 22 22 ALA HB3 H 1 1.283 0.006 . 1 . . . . . 21 ALA HB3 . 52209 1 212 . 1 . 1 22 22 ALA C C 13 177.794 0.000 . 1 . . . . . 21 ALA C . 52209 1 213 . 1 . 1 22 22 ALA CA C 13 53.559 0.036 . 1 . . . . . 21 ALA CA . 52209 1 214 . 1 . 1 22 22 ALA CB C 13 18.574 0.039 . 1 . . . . . 21 ALA CB . 52209 1 215 . 1 . 1 22 22 ALA N N 15 117.959 0.013 . 1 . . . . . 21 ALA N . 52209 1 216 . 1 . 1 23 23 ASN H H 1 7.754 0.001 . 1 . . . . . 22 ASN H . 52209 1 217 . 1 . 1 23 23 ASN HA H 1 4.935 0.004 . 1 . . . . . 22 ASN HA . 52209 1 218 . 1 . 1 23 23 ASN HB2 H 1 2.734 0.004 . 2 . . . . . 22 ASN HB2 . 52209 1 219 . 1 . 1 23 23 ASN HB3 H 1 3.080 0.006 . 2 . . . . . 22 ASN HB3 . 52209 1 220 . 1 . 1 23 23 ASN C C 13 175.056 0.000 . 1 . . . . . 22 ASN C . 52209 1 221 . 1 . 1 23 23 ASN CA C 13 52.533 0.068 . 1 . . . . . 22 ASN CA . 52209 1 222 . 1 . 1 23 23 ASN CB C 13 39.796 0.070 . 1 . . . . . 22 ASN CB . 52209 1 223 . 1 . 1 23 23 ASN N N 15 113.797 0.009 . 1 . . . . . 22 ASN N . 52209 1 224 . 1 . 1 24 24 VAL H H 1 7.401 0.003 . 1 . . . . . 23 VAL H . 52209 1 225 . 1 . 1 24 24 VAL HA H 1 4.603 0.002 . 1 . . . . . 23 VAL HA . 52209 1 226 . 1 . 1 24 24 VAL HB H 1 1.994 0.005 . 1 . . . . . 23 VAL HB . 52209 1 227 . 1 . 1 24 24 VAL HG11 H 1 0.743 0.001 . 2 . . . . . 23 VAL HG11 . 52209 1 228 . 1 . 1 24 24 VAL HG12 H 1 0.743 0.001 . 2 . . . . . 23 VAL HG12 . 52209 1 229 . 1 . 1 24 24 VAL HG13 H 1 0.743 0.001 . 2 . . . . . 23 VAL HG13 . 52209 1 230 . 1 . 1 24 24 VAL HG21 H 1 0.739 0.004 . 2 . . . . . 23 VAL HG21 . 52209 1 231 . 1 . 1 24 24 VAL HG22 H 1 0.739 0.004 . 2 . . . . . 23 VAL HG22 . 52209 1 232 . 1 . 1 24 24 VAL HG23 H 1 0.739 0.004 . 2 . . . . . 23 VAL HG23 . 52209 1 233 . 1 . 1 24 24 VAL C C 13 174.265 0.000 . 1 . . . . . 23 VAL C . 52209 1 234 . 1 . 1 24 24 VAL CA C 13 61.166 0.073 . 1 . . . . . 23 VAL CA . 52209 1 235 . 1 . 1 24 24 VAL CB C 13 33.993 0.079 . 1 . . . . . 23 VAL CB . 52209 1 236 . 1 . 1 24 24 VAL CG1 C 13 20.496 0.033 . 2 . . . . . 23 VAL CG1 . 52209 1 237 . 1 . 1 24 24 VAL CG2 C 13 22.928 0.026 . 2 . . . . . 23 VAL CG2 . 52209 1 238 . 1 . 1 24 24 VAL N N 15 117.340 0.021 . 1 . . . . . 23 VAL N . 52209 1 239 . 1 . 1 25 25 LYS H H 1 9.215 0.003 . 1 . . . . . 24 LYS H . 52209 1 240 . 1 . 1 25 25 LYS HA H 1 4.480 0.006 . 1 . . . . . 24 LYS HA . 52209 1 241 . 1 . 1 25 25 LYS HB2 H 1 1.495 0.006 . 1 . . . . . 24 LYS HB2 . 52209 1 242 . 1 . 1 25 25 LYS HB3 H 1 1.495 0.007 . 1 . . . . . 24 LYS HB3 . 52209 1 243 . 1 . 1 25 25 LYS HG2 H 1 0.984 0.003 . 2 . . . . . 24 LYS HG2 . 52209 1 244 . 1 . 1 25 25 LYS HG3 H 1 1.119 0.005 . 2 . . . . . 24 LYS HG3 . 52209 1 245 . 1 . 1 25 25 LYS HD2 H 1 1.511 0.003 . 1 . . . . . 24 LYS HD2 . 52209 1 246 . 1 . 1 25 25 LYS HD3 H 1 1.511 0.003 . 1 . . . . . 24 LYS HD3 . 52209 1 247 . 1 . 1 25 25 LYS HE2 H 1 2.800 0.011 . 2 . . . . . 24 LYS HE2 . 52209 1 248 . 1 . 1 25 25 LYS HE3 H 1 2.799 0.012 . 2 . . . . . 24 LYS HE3 . 52209 1 249 . 1 . 1 25 25 LYS C C 13 174.891 0.000 . 1 . . . . . 24 LYS C . 52209 1 250 . 1 . 1 25 25 LYS CA C 13 55.551 0.046 . 1 . . . . . 24 LYS CA . 52209 1 251 . 1 . 1 25 25 LYS CB C 13 35.350 0.065 . 1 . . . . . 24 LYS CB . 52209 1 252 . 1 . 1 25 25 LYS CG C 13 24.371 0.059 . 1 . . . . . 24 LYS CG . 52209 1 253 . 1 . 1 25 25 LYS CD C 13 29.951 0.002 . 1 . . . . . 24 LYS CD . 52209 1 254 . 1 . 1 25 25 LYS N N 15 123.653 0.028 . 1 . . . . . 24 LYS N . 52209 1 255 . 1 . 1 26 26 HIS H H 1 8.069 0.004 . 1 . . . . . 25 HIS H . 52209 1 256 . 1 . 1 26 26 HIS HA H 1 4.538 0.004 . 1 . . . . . 25 HIS HA . 52209 1 257 . 1 . 1 26 26 HIS HB2 H 1 3.135 0.002 . 2 . . . . . 25 HIS HB2 . 52209 1 258 . 1 . 1 26 26 HIS HB3 H 1 3.095 0.003 . 2 . . . . . 25 HIS HB3 . 52209 1 259 . 1 . 1 26 26 HIS HD2 H 1 6.905 0.008 . 1 . . . . . 25 HIS HD2 . 52209 1 260 . 1 . 1 26 26 HIS HE1 H 1 7.729 0.008 . 1 . . . . . 25 HIS HE1 . 52209 1 261 . 1 . 1 26 26 HIS C C 13 173.502 0.000 . 1 . . . . . 25 HIS C . 52209 1 262 . 1 . 1 26 26 HIS CA C 13 55.797 0.048 . 1 . . . . . 25 HIS CA . 52209 1 263 . 1 . 1 26 26 HIS CB C 13 31.298 0.144 . 1 . . . . . 25 HIS CB . 52209 1 264 . 1 . 1 26 26 HIS CD2 C 13 119.801 0.025 . 1 . . . . . 25 HIS CD2 . 52209 1 265 . 1 . 1 26 26 HIS CE1 C 13 138.573 0.010 . 1 . . . . . 25 HIS CE1 . 52209 1 266 . 1 . 1 26 26 HIS N N 15 116.809 0.014 . 1 . . . . . 25 HIS N . 52209 1 267 . 1 . 1 27 27 LEU H H 1 7.906 0.002 . 1 . . . . . 26 LEU H . 52209 1 268 . 1 . 1 27 27 LEU HA H 1 4.845 0.012 . 1 . . . . . 26 LEU HA . 52209 1 269 . 1 . 1 27 27 LEU HB2 H 1 1.360 0.003 . 1 . . . . . 26 LEU HB2 . 52209 1 270 . 1 . 1 27 27 LEU HB3 H 1 1.360 0.003 . 1 . . . . . 26 LEU HB3 . 52209 1 271 . 1 . 1 27 27 LEU HG H 1 1.315 0.005 . 1 . . . . . 26 LEU HG . 52209 1 272 . 1 . 1 27 27 LEU HD11 H 1 0.478 0.009 . 1 . . . . . 26 LEU HD11 . 52209 1 273 . 1 . 1 27 27 LEU HD12 H 1 0.478 0.009 . 1 . . . . . 26 LEU HD12 . 52209 1 274 . 1 . 1 27 27 LEU HD13 H 1 0.478 0.009 . 1 . . . . . 26 LEU HD13 . 52209 1 275 . 1 . 1 27 27 LEU C C 13 176.234 0.000 . 1 . . . . . 26 LEU C . 52209 1 276 . 1 . 1 27 27 LEU CA C 13 55.620 0.061 . 1 . . . . . 26 LEU CA . 52209 1 277 . 1 . 1 27 27 LEU CB C 13 44.837 0.095 . 1 . . . . . 26 LEU CB . 52209 1 278 . 1 . 1 27 27 LEU CG C 13 27.590 0.063 . 1 . . . . . 26 LEU CG . 52209 1 279 . 1 . 1 27 27 LEU CD1 C 13 25.529 0.002 . 1 . . . . . 26 LEU CD1 . 52209 1 280 . 1 . 1 27 27 LEU N N 15 122.205 0.010 . 1 . . . . . 26 LEU N . 52209 1 281 . 1 . 1 28 28 LYS H H 1 9.041 0.002 . 1 . . . . . 27 LYS H . 52209 1 282 . 1 . 1 28 28 LYS HA H 1 4.639 0.004 . 1 . . . . . 27 LYS HA . 52209 1 283 . 1 . 1 28 28 LYS HB2 H 1 1.799 0.026 . 2 . . . . . 27 LYS HB2 . 52209 1 284 . 1 . 1 28 28 LYS HB3 H 1 1.732 0.021 . 2 . . . . . 27 LYS HB3 . 52209 1 285 . 1 . 1 28 28 LYS HG2 H 1 1.400 0.007 . 2 . . . . . 27 LYS HG2 . 52209 1 286 . 1 . 1 28 28 LYS HG3 H 1 1.298 0.004 . 2 . . . . . 27 LYS HG3 . 52209 1 287 . 1 . 1 28 28 LYS HD2 H 1 1.678 0.008 . 2 . . . . . 27 LYS HD2 . 52209 1 288 . 1 . 1 28 28 LYS HD3 H 1 1.677 0.007 . 2 . . . . . 27 LYS HD3 . 52209 1 289 . 1 . 1 28 28 LYS HE2 H 1 2.898 0.004 . 1 . . . . . 27 LYS HE2 . 52209 1 290 . 1 . 1 28 28 LYS HE3 H 1 2.899 0.004 . 1 . . . . . 27 LYS HE3 . 52209 1 291 . 1 . 1 28 28 LYS C C 13 173.887 0.000 . 1 . . . . . 27 LYS C . 52209 1 292 . 1 . 1 28 28 LYS CA C 13 55.290 0.062 . 1 . . . . . 27 LYS CA . 52209 1 293 . 1 . 1 28 28 LYS CB C 13 36.127 0.059 . 1 . . . . . 27 LYS CB . 52209 1 294 . 1 . 1 28 28 LYS CG C 13 24.514 0.023 . 1 . . . . . 27 LYS CG . 52209 1 295 . 1 . 1 28 28 LYS CD C 13 29.698 0.000 . 1 . . . . . 27 LYS CD . 52209 1 296 . 1 . 1 28 28 LYS CE C 13 42.452 0.000 . 1 . . . . . 27 LYS CE . 52209 1 297 . 1 . 1 28 28 LYS N N 15 123.193 0.013 . 1 . . . . . 27 LYS N . 52209 1 298 . 1 . 1 29 29 ILE H H 1 8.435 0.002 . 1 . . . . . 28 ILE H . 52209 1 299 . 1 . 1 29 29 ILE HA H 1 4.710 0.004 . 1 . . . . . 28 ILE HA . 52209 1 300 . 1 . 1 29 29 ILE HB H 1 1.748 0.002 . 1 . . . . . 28 ILE HB . 52209 1 301 . 1 . 1 29 29 ILE HG12 H 1 1.019 0.003 . 2 . . . . . 28 ILE HG12 . 52209 1 302 . 1 . 1 29 29 ILE HG13 H 1 1.022 0.001 . 2 . . . . . 28 ILE HG13 . 52209 1 303 . 1 . 1 29 29 ILE HG21 H 1 0.811 0.001 . 1 . . . . . 28 ILE HG21 . 52209 1 304 . 1 . 1 29 29 ILE HG22 H 1 0.811 0.001 . 1 . . . . . 28 ILE HG22 . 52209 1 305 . 1 . 1 29 29 ILE HG23 H 1 0.811 0.001 . 1 . . . . . 28 ILE HG23 . 52209 1 306 . 1 . 1 29 29 ILE HD11 H 1 0.766 0.003 . 1 . . . . . 28 ILE HD11 . 52209 1 307 . 1 . 1 29 29 ILE HD12 H 1 0.766 0.003 . 1 . . . . . 28 ILE HD12 . 52209 1 308 . 1 . 1 29 29 ILE HD13 H 1 0.766 0.003 . 1 . . . . . 28 ILE HD13 . 52209 1 309 . 1 . 1 29 29 ILE CA C 13 60.284 0.063 . 1 . . . . . 28 ILE CA . 52209 1 310 . 1 . 1 29 29 ILE CB C 13 39.056 0.074 . 1 . . . . . 28 ILE CB . 52209 1 311 . 1 . 1 29 29 ILE N N 15 122.757 0.015 . 1 . . . . . 28 ILE N . 52209 1 312 . 1 . 1 30 30 LEU H H 1 9.116 0.002 . 1 . . . . . 29 LEU H . 52209 1 313 . 1 . 1 30 30 LEU HA H 1 4.618 0.006 . 1 . . . . . 29 LEU HA . 52209 1 314 . 1 . 1 30 30 LEU HB2 H 1 1.531 0.009 . 2 . . . . . 29 LEU HB2 . 52209 1 315 . 1 . 1 30 30 LEU HB3 H 1 1.632 0.007 . 2 . . . . . 29 LEU HB3 . 52209 1 316 . 1 . 1 30 30 LEU HD11 H 1 0.851 0.008 . 2 . . . . . 29 LEU HD11 . 52209 1 317 . 1 . 1 30 30 LEU HD12 H 1 0.851 0.008 . 2 . . . . . 29 LEU HD12 . 52209 1 318 . 1 . 1 30 30 LEU HD13 H 1 0.851 0.008 . 2 . . . . . 29 LEU HD13 . 52209 1 319 . 1 . 1 30 30 LEU HD21 H 1 0.880 0.013 . 2 . . . . . 29 LEU HD21 . 52209 1 320 . 1 . 1 30 30 LEU HD22 H 1 0.880 0.013 . 2 . . . . . 29 LEU HD22 . 52209 1 321 . 1 . 1 30 30 LEU HD23 H 1 0.880 0.013 . 2 . . . . . 29 LEU HD23 . 52209 1 322 . 1 . 1 30 30 LEU C C 13 175.312 0.000 . 1 . . . . . 29 LEU C . 52209 1 323 . 1 . 1 30 30 LEU CA C 13 54.022 0.048 . 1 . . . . . 29 LEU CA . 52209 1 324 . 1 . 1 30 30 LEU CB C 13 43.809 0.087 . 1 . . . . . 29 LEU CB . 52209 1 325 . 1 . 1 30 30 LEU CD1 C 13 24.685 0.034 . 1 . . . . . 29 LEU CD1 . 52209 1 326 . 1 . 1 30 30 LEU CD2 C 13 24.685 0.034 . 1 . . . . . 29 LEU CD2 . 52209 1 327 . 1 . 1 30 30 LEU N N 15 130.182 0.019 . 1 . . . . . 29 LEU N . 52209 1 328 . 1 . 1 31 31 ASN H H 1 8.777 0.003 . 1 . . . . . 30 ASN H . 52209 1 329 . 1 . 1 31 31 ASN HA H 1 5.104 0.003 . 1 . . . . . 30 ASN HA . 52209 1 330 . 1 . 1 31 31 ASN HB2 H 1 2.838 0.007 . 2 . . . . . 30 ASN HB2 . 52209 1 331 . 1 . 1 31 31 ASN HB3 H 1 2.480 0.005 . 2 . . . . . 30 ASN HB3 . 52209 1 332 . 1 . 1 31 31 ASN C C 13 174.281 0.000 . 1 . . . . . 30 ASN C . 52209 1 333 . 1 . 1 31 31 ASN CA C 13 52.100 0.053 . 1 . . . . . 30 ASN CA . 52209 1 334 . 1 . 1 31 31 ASN CB C 13 39.246 0.047 . 1 . . . . . 30 ASN CB . 52209 1 335 . 1 . 1 31 31 ASN N N 15 125.243 0.029 . 1 . . . . . 30 ASN N . 52209 1 336 . 1 . 1 32 32 THR H H 1 8.484 0.002 . 1 . . . . . 31 THR H . 52209 1 337 . 1 . 1 32 32 THR HA H 1 4.766 0.004 . 1 . . . . . 31 THR HA . 52209 1 338 . 1 . 1 32 32 THR HB H 1 4.138 0.002 . 1 . . . . . 31 THR HB . 52209 1 339 . 1 . 1 32 32 THR HG21 H 1 1.236 0.002 . 1 . . . . . 31 THR HG21 . 52209 1 340 . 1 . 1 32 32 THR HG22 H 1 1.236 0.002 . 1 . . . . . 31 THR HG22 . 52209 1 341 . 1 . 1 32 32 THR HG23 H 1 1.236 0.002 . 1 . . . . . 31 THR HG23 . 52209 1 342 . 1 . 1 32 32 THR CA C 13 59.332 0.046 . 1 . . . . . 31 THR CA . 52209 1 343 . 1 . 1 32 32 THR CB C 13 70.167 0.054 . 1 . . . . . 31 THR CB . 52209 1 344 . 1 . 1 32 32 THR CG2 C 13 21.965 0.022 . 1 . . . . . 31 THR CG2 . 52209 1 345 . 1 . 1 32 32 THR N N 15 119.617 0.015 . 1 . . . . . 31 THR N . 52209 1 346 . 1 . 1 33 33 PRO HA H 1 4.269 0.004 . 1 . . . . . 32 PRO HA . 52209 1 347 . 1 . 1 33 33 PRO HB2 H 1 2.295 0.012 . 2 . . . . . 32 PRO HB2 . 52209 1 348 . 1 . 1 33 33 PRO HB3 H 1 1.795 0.007 . 2 . . . . . 32 PRO HB3 . 52209 1 349 . 1 . 1 33 33 PRO HG2 H 1 2.060 0.017 . 2 . . . . . 32 PRO HG2 . 52209 1 350 . 1 . 1 33 33 PRO HG3 H 1 1.973 0.008 . 2 . . . . . 32 PRO HG3 . 52209 1 351 . 1 . 1 33 33 PRO C C 13 177.111 0.000 . 1 . . . . . 32 PRO C . 52209 1 352 . 1 . 1 33 33 PRO CA C 13 64.667 0.073 . 1 . . . . . 32 PRO CA . 52209 1 353 . 1 . 1 33 33 PRO CB C 13 32.052 0.082 . 1 . . . . . 32 PRO CB . 52209 1 354 . 1 . 1 33 33 PRO CG C 13 27.903 0.018 . 1 . . . . . 32 PRO CG . 52209 1 355 . 1 . 1 33 33 PRO CD C 13 51.205 0.000 . 1 . . . . . 32 PRO CD . 52209 1 356 . 1 . 1 34 34 ASN H H 1 8.396 0.003 . 1 . . . . . 33 ASN H . 52209 1 357 . 1 . 1 34 34 ASN HA H 1 4.455 0.005 . 1 . . . . . 33 ASN HA . 52209 1 358 . 1 . 1 34 34 ASN HB2 H 1 2.756 0.007 . 2 . . . . . 33 ASN HB2 . 52209 1 359 . 1 . 1 34 34 ASN HB3 H 1 2.751 0.001 . 2 . . . . . 33 ASN HB3 . 52209 1 360 . 1 . 1 34 34 ASN C C 13 174.441 0.000 . 1 . . . . . 33 ASN C . 52209 1 361 . 1 . 1 34 34 ASN CA C 13 54.525 0.057 . 1 . . . . . 33 ASN CA . 52209 1 362 . 1 . 1 34 34 ASN CB C 13 38.497 0.061 . 1 . . . . . 33 ASN CB . 52209 1 363 . 1 . 1 34 34 ASN N N 15 113.118 0.021 . 1 . . . . . 33 ASN N . 52209 1 364 . 1 . 1 35 35 CYS H H 1 7.631 0.001 . 1 . . . . . 34 CYS H . 52209 1 365 . 1 . 1 35 35 CYS HA H 1 4.892 0.000 . 1 . . . . . 34 CYS HA . 52209 1 366 . 1 . 1 35 35 CYS HB2 H 1 3.152 0.004 . 2 . . . . . 34 CYS HB2 . 52209 1 367 . 1 . 1 35 35 CYS HB3 H 1 2.869 0.006 . 2 . . . . . 34 CYS HB3 . 52209 1 368 . 1 . 1 35 35 CYS C C 13 173.683 0.000 . 1 . . . . . 34 CYS C . 52209 1 369 . 1 . 1 35 35 CYS CA C 13 54.353 0.070 . 1 . . . . . 34 CYS CA . 52209 1 370 . 1 . 1 35 35 CYS CB C 13 43.933 0.033 . 1 . . . . . 34 CYS CB . 52209 1 371 . 1 . 1 35 35 CYS N N 15 117.426 0.005 . 1 . . . . . 34 CYS N . 52209 1 372 . 1 . 1 36 36 ALA H H 1 8.417 0.001 . 1 . . . . . 35 ALA H . 52209 1 373 . 1 . 1 36 36 ALA HA H 1 4.270 0.005 . 1 . . . . . 35 ALA HA . 52209 1 374 . 1 . 1 36 36 ALA HB1 H 1 1.418 0.006 . 1 . . . . . 35 ALA HB1 . 52209 1 375 . 1 . 1 36 36 ALA HB2 H 1 1.418 0.006 . 1 . . . . . 35 ALA HB2 . 52209 1 376 . 1 . 1 36 36 ALA HB3 H 1 1.418 0.006 . 1 . . . . . 35 ALA HB3 . 52209 1 377 . 1 . 1 36 36 ALA C C 13 176.928 0.000 . 1 . . . . . 35 ALA C . 52209 1 378 . 1 . 1 36 36 ALA CA C 13 52.464 0.049 . 1 . . . . . 35 ALA CA . 52209 1 379 . 1 . 1 36 36 ALA CB C 13 18.796 0.053 . 1 . . . . . 35 ALA CB . 52209 1 380 . 1 . 1 36 36 ALA N N 15 126.103 0.018 . 1 . . . . . 35 ALA N . 52209 1 381 . 1 . 1 37 37 LEU H H 1 8.050 0.001 . 1 . . . . . 36 LEU H . 52209 1 382 . 1 . 1 37 37 LEU HA H 1 4.356 0.009 . 1 . . . . . 36 LEU HA . 52209 1 383 . 1 . 1 37 37 LEU HB2 H 1 1.525 0.008 . 2 . . . . . 36 LEU HB2 . 52209 1 384 . 1 . 1 37 37 LEU HB3 H 1 1.620 0.010 . 2 . . . . . 36 LEU HB3 . 52209 1 385 . 1 . 1 37 37 LEU HG H 1 1.592 0.006 . 1 . . . . . 36 LEU HG . 52209 1 386 . 1 . 1 37 37 LEU HD11 H 1 0.885 0.009 . 2 . . . . . 36 LEU HD11 . 52209 1 387 . 1 . 1 37 37 LEU HD12 H 1 0.885 0.009 . 2 . . . . . 36 LEU HD12 . 52209 1 388 . 1 . 1 37 37 LEU HD13 H 1 0.885 0.009 . 2 . . . . . 36 LEU HD13 . 52209 1 389 . 1 . 1 37 37 LEU HD21 H 1 0.859 0.012 . 2 . . . . . 36 LEU HD21 . 52209 1 390 . 1 . 1 37 37 LEU HD22 H 1 0.859 0.012 . 2 . . . . . 36 LEU HD22 . 52209 1 391 . 1 . 1 37 37 LEU HD23 H 1 0.859 0.012 . 2 . . . . . 36 LEU HD23 . 52209 1 392 . 1 . 1 37 37 LEU C C 13 176.394 0.000 . 1 . . . . . 36 LEU C . 52209 1 393 . 1 . 1 37 37 LEU CA C 13 56.666 0.040 . 1 . . . . . 36 LEU CA . 52209 1 394 . 1 . 1 37 37 LEU CB C 13 42.160 0.047 . 1 . . . . . 36 LEU CB . 52209 1 395 . 1 . 1 37 37 LEU CG C 13 27.403 0.020 . 1 . . . . . 36 LEU CG . 52209 1 396 . 1 . 1 37 37 LEU CD1 C 13 25.165 0.004 . 1 . . . . . 36 LEU CD1 . 52209 1 397 . 1 . 1 37 37 LEU CD2 C 13 25.165 0.004 . 1 . . . . . 36 LEU CD2 . 52209 1 398 . 1 . 1 37 37 LEU N N 15 122.768 0.014 . 1 . . . . . 36 LEU N . 52209 1 399 . 1 . 1 38 38 GLN H H 1 8.325 0.002 . 1 . . . . . 37 GLN H . 52209 1 400 . 1 . 1 38 38 GLN HA H 1 4.689 0.004 . 1 . . . . . 37 GLN HA . 52209 1 401 . 1 . 1 38 38 GLN HB2 H 1 2.139 0.011 . 2 . . . . . 37 GLN HB2 . 52209 1 402 . 1 . 1 38 38 GLN HB3 H 1 2.045 0.006 . 2 . . . . . 37 GLN HB3 . 52209 1 403 . 1 . 1 38 38 GLN HG2 H 1 2.310 0.007 . 2 . . . . . 37 GLN HG2 . 52209 1 404 . 1 . 1 38 38 GLN HG3 H 1 2.454 0.011 . 2 . . . . . 37 GLN HG3 . 52209 1 405 . 1 . 1 38 38 GLN C C 13 173.754 0.000 . 1 . . . . . 37 GLN C . 52209 1 406 . 1 . 1 38 38 GLN CA C 13 54.165 0.065 . 1 . . . . . 37 GLN CA . 52209 1 407 . 1 . 1 38 38 GLN CB C 13 32.391 0.062 . 1 . . . . . 37 GLN CB . 52209 1 408 . 1 . 1 38 38 GLN CG C 13 34.258 0.051 . 1 . . . . . 37 GLN CG . 52209 1 409 . 1 . 1 38 38 GLN N N 15 122.097 0.019 . 1 . . . . . 37 GLN N . 52209 1 410 . 1 . 1 39 39 ILE H H 1 9.093 0.004 . 1 . . . . . 38 ILE H . 52209 1 411 . 1 . 1 39 39 ILE HA H 1 4.691 0.006 . 1 . . . . . 38 ILE HA . 52209 1 412 . 1 . 1 39 39 ILE HB H 1 1.801 0.005 . 1 . . . . . 38 ILE HB . 52209 1 413 . 1 . 1 39 39 ILE HG12 H 1 0.872 0.007 . 2 . . . . . 38 ILE HG12 . 52209 1 414 . 1 . 1 39 39 ILE HG13 H 1 1.584 0.004 . 2 . . . . . 38 ILE HG13 . 52209 1 415 . 1 . 1 39 39 ILE HG21 H 1 0.737 0.001 . 1 . . . . . 38 ILE HG21 . 52209 1 416 . 1 . 1 39 39 ILE HG22 H 1 0.737 0.001 . 1 . . . . . 38 ILE HG22 . 52209 1 417 . 1 . 1 39 39 ILE HG23 H 1 0.737 0.001 . 1 . . . . . 38 ILE HG23 . 52209 1 418 . 1 . 1 39 39 ILE C C 13 174.848 0.000 . 1 . . . . . 38 ILE C . 52209 1 419 . 1 . 1 39 39 ILE CA C 13 60.985 0.081 . 1 . . . . . 38 ILE CA . 52209 1 420 . 1 . 1 39 39 ILE CB C 13 39.424 0.054 . 1 . . . . . 38 ILE CB . 52209 1 421 . 1 . 1 39 39 ILE CG1 C 13 27.757 0.000 . 1 . . . . . 38 ILE CG1 . 52209 1 422 . 1 . 1 39 39 ILE CG2 C 13 18.469 0.000 . 1 . . . . . 38 ILE CG2 . 52209 1 423 . 1 . 1 39 39 ILE CD1 C 13 14.557 0.000 . 1 . . . . . 38 ILE CD1 . 52209 1 424 . 1 . 1 39 39 ILE N N 15 124.202 0.027 . 1 . . . . . 38 ILE N . 52209 1 425 . 1 . 1 40 40 VAL H H 1 9.022 0.003 . 1 . . . . . 39 VAL H . 52209 1 426 . 1 . 1 40 40 VAL HA H 1 5.020 0.003 . 1 . . . . . 39 VAL HA . 52209 1 427 . 1 . 1 40 40 VAL HB H 1 1.934 0.003 . 1 . . . . . 39 VAL HB . 52209 1 428 . 1 . 1 40 40 VAL HG11 H 1 0.921 0.002 . 2 . . . . . 39 VAL HG11 . 52209 1 429 . 1 . 1 40 40 VAL HG12 H 1 0.921 0.002 . 2 . . . . . 39 VAL HG12 . 52209 1 430 . 1 . 1 40 40 VAL HG13 H 1 0.921 0.002 . 2 . . . . . 39 VAL HG13 . 52209 1 431 . 1 . 1 40 40 VAL HG21 H 1 0.924 0.000 . 2 . . . . . 39 VAL HG21 . 52209 1 432 . 1 . 1 40 40 VAL HG22 H 1 0.924 0.000 . 2 . . . . . 39 VAL HG22 . 52209 1 433 . 1 . 1 40 40 VAL HG23 H 1 0.924 0.000 . 2 . . . . . 39 VAL HG23 . 52209 1 434 . 1 . 1 40 40 VAL C C 13 174.665 0.000 . 1 . . . . . 39 VAL C . 52209 1 435 . 1 . 1 40 40 VAL CA C 13 60.603 0.068 . 1 . . . . . 39 VAL CA . 52209 1 436 . 1 . 1 40 40 VAL CB C 13 34.224 0.056 . 1 . . . . . 39 VAL CB . 52209 1 437 . 1 . 1 40 40 VAL CG1 C 13 21.565 0.031 . 2 . . . . . 39 VAL CG1 . 52209 1 438 . 1 . 1 40 40 VAL CG2 C 13 21.606 0.000 . 2 . . . . . 39 VAL CG2 . 52209 1 439 . 1 . 1 40 40 VAL N N 15 126.476 0.011 . 1 . . . . . 39 VAL N . 52209 1 440 . 1 . 1 41 41 ALA H H 1 9.214 0.002 . 1 . . . . . 40 ALA H . 52209 1 441 . 1 . 1 41 41 ALA HA H 1 5.221 0.004 . 1 . . . . . 40 ALA HA . 52209 1 442 . 1 . 1 41 41 ALA HB1 H 1 1.304 0.001 . 1 . . . . . 40 ALA HB1 . 52209 1 443 . 1 . 1 41 41 ALA HB2 H 1 1.304 0.001 . 1 . . . . . 40 ALA HB2 . 52209 1 444 . 1 . 1 41 41 ALA HB3 H 1 1.304 0.001 . 1 . . . . . 40 ALA HB3 . 52209 1 445 . 1 . 1 41 41 ALA C C 13 175.952 0.000 . 1 . . . . . 40 ALA C . 52209 1 446 . 1 . 1 41 41 ALA CA C 13 50.136 0.050 . 1 . . . . . 40 ALA CA . 52209 1 447 . 1 . 1 41 41 ALA CB C 13 23.900 0.057 . 1 . . . . . 40 ALA CB . 52209 1 448 . 1 . 1 41 41 ALA N N 15 127.792 0.017 . 1 . . . . . 40 ALA N . 52209 1 449 . 1 . 1 42 42 ARG H H 1 8.493 0.002 . 1 . . . . . 41 ARG H . 52209 1 450 . 1 . 1 42 42 ARG HA H 1 5.226 0.003 . 1 . . . . . 41 ARG HA . 52209 1 451 . 1 . 1 42 42 ARG HB2 H 1 1.453 0.002 . 2 . . . . . 41 ARG HB2 . 52209 1 452 . 1 . 1 42 42 ARG HB3 H 1 1.545 0.015 . 2 . . . . . 41 ARG HB3 . 52209 1 453 . 1 . 1 42 42 ARG HG2 H 1 1.653 0.004 . 2 . . . . . 41 ARG HG2 . 52209 1 454 . 1 . 1 42 42 ARG HG3 H 1 1.547 0.004 . 2 . . . . . 41 ARG HG3 . 52209 1 455 . 1 . 1 42 42 ARG HD2 H 1 3.068 0.003 . 2 . . . . . 41 ARG HD2 . 52209 1 456 . 1 . 1 42 42 ARG HD3 H 1 3.067 0.003 . 2 . . . . . 41 ARG HD3 . 52209 1 457 . 1 . 1 42 42 ARG C C 13 176.368 0.000 . 1 . . . . . 41 ARG C . 52209 1 458 . 1 . 1 42 42 ARG CA C 13 53.689 0.064 . 1 . . . . . 41 ARG CA . 52209 1 459 . 1 . 1 42 42 ARG CB C 13 32.567 0.067 . 1 . . . . . 41 ARG CB . 52209 1 460 . 1 . 1 42 42 ARG CG C 13 27.616 0.037 . 1 . . . . . 41 ARG CG . 52209 1 461 . 1 . 1 42 42 ARG CD C 13 42.970 0.074 . 1 . . . . . 41 ARG CD . 52209 1 462 . 1 . 1 42 42 ARG N N 15 118.600 0.010 . 1 . . . . . 41 ARG N . 52209 1 463 . 1 . 1 43 43 LEU H H 1 8.947 0.002 . 1 . . . . . 42 LEU H . 52209 1 464 . 1 . 1 43 43 LEU HA H 1 4.815 0.002 . 1 . . . . . 42 LEU HA . 52209 1 465 . 1 . 1 43 43 LEU HB2 H 1 2.213 0.007 . 2 . . . . . 42 LEU HB2 . 52209 1 466 . 1 . 1 43 43 LEU HB3 H 1 1.738 0.007 . 2 . . . . . 42 LEU HB3 . 52209 1 467 . 1 . 1 43 43 LEU HG H 1 1.797 0.004 . 1 . . . . . 42 LEU HG . 52209 1 468 . 1 . 1 43 43 LEU HD11 H 1 0.815 0.008 . 2 . . . . . 42 LEU HD11 . 52209 1 469 . 1 . 1 43 43 LEU HD12 H 1 0.815 0.008 . 2 . . . . . 42 LEU HD12 . 52209 1 470 . 1 . 1 43 43 LEU HD13 H 1 0.815 0.008 . 2 . . . . . 42 LEU HD13 . 52209 1 471 . 1 . 1 43 43 LEU HD21 H 1 1.017 0.004 . 2 . . . . . 42 LEU HD21 . 52209 1 472 . 1 . 1 43 43 LEU HD22 H 1 1.017 0.004 . 2 . . . . . 42 LEU HD22 . 52209 1 473 . 1 . 1 43 43 LEU HD23 H 1 1.017 0.004 . 2 . . . . . 42 LEU HD23 . 52209 1 474 . 1 . 1 43 43 LEU C C 13 178.641 0.000 . 1 . . . . . 42 LEU C . 52209 1 475 . 1 . 1 43 43 LEU CA C 13 54.407 0.066 . 1 . . . . . 42 LEU CA . 52209 1 476 . 1 . 1 43 43 LEU CB C 13 41.358 0.052 . 1 . . . . . 42 LEU CB . 52209 1 477 . 1 . 1 43 43 LEU CG C 13 27.168 0.079 . 1 . . . . . 42 LEU CG . 52209 1 478 . 1 . 1 43 43 LEU CD1 C 13 23.193 0.037 . 2 . . . . . 42 LEU CD1 . 52209 1 479 . 1 . 1 43 43 LEU CD2 C 13 25.801 0.085 . 2 . . . . . 42 LEU CD2 . 52209 1 480 . 1 . 1 43 43 LEU N N 15 125.165 0.017 . 1 . . . . . 42 LEU N . 52209 1 481 . 1 . 1 44 44 LYS H H 1 8.419 0.002 . 1 . . . . . 43 LYS H . 52209 1 482 . 1 . 1 44 44 LYS HA H 1 3.778 0.004 . 1 . . . . . 43 LYS HA . 52209 1 483 . 1 . 1 44 44 LYS HB2 H 1 1.835 0.011 . 2 . . . . . 43 LYS HB2 . 52209 1 484 . 1 . 1 44 44 LYS HB3 H 1 1.652 0.005 . 2 . . . . . 43 LYS HB3 . 52209 1 485 . 1 . 1 44 44 LYS CA C 13 59.343 0.043 . 1 . . . . . 43 LYS CA . 52209 1 486 . 1 . 1 44 44 LYS CB C 13 33.222 0.015 . 1 . . . . . 43 LYS CB . 52209 1 487 . 1 . 1 44 44 LYS N N 15 121.358 0.024 . 1 . . . . . 43 LYS N . 52209 1 488 . 1 . 1 45 45 ASN H H 1 8.668 0.004 . 1 . . . . . 44 ASN H . 52209 1 489 . 1 . 1 45 45 ASN HA H 1 4.435 0.002 . 1 . . . . . 44 ASN HA . 52209 1 490 . 1 . 1 45 45 ASN HB2 H 1 2.810 0.007 . 2 . . . . . 44 ASN HB2 . 52209 1 491 . 1 . 1 45 45 ASN HB3 H 1 2.916 0.006 . 2 . . . . . 44 ASN HB3 . 52209 1 492 . 1 . 1 45 45 ASN C C 13 176.069 0.000 . 1 . . . . . 44 ASN C . 52209 1 493 . 1 . 1 45 45 ASN CA C 13 55.521 0.033 . 1 . . . . . 44 ASN CA . 52209 1 494 . 1 . 1 45 45 ASN CB C 13 37.453 0.067 . 1 . . . . . 44 ASN CB . 52209 1 495 . 1 . 1 45 45 ASN N N 15 115.341 0.012 . 1 . . . . . 44 ASN N . 52209 1 496 . 1 . 1 46 46 ASN H H 1 7.434 0.003 . 1 . . . . . 45 ASN H . 52209 1 497 . 1 . 1 46 46 ASN HA H 1 4.709 0.005 . 1 . . . . . 45 ASN HA . 52209 1 498 . 1 . 1 46 46 ASN HB2 H 1 2.716 0.002 . 2 . . . . . 45 ASN HB2 . 52209 1 499 . 1 . 1 46 46 ASN HB3 H 1 3.041 0.007 . 2 . . . . . 45 ASN HB3 . 52209 1 500 . 1 . 1 46 46 ASN C C 13 175.530 0.000 . 1 . . . . . 45 ASN C . 52209 1 501 . 1 . 1 46 46 ASN CA C 13 52.640 0.053 . 1 . . . . . 45 ASN CA . 52209 1 502 . 1 . 1 46 46 ASN CB C 13 39.232 0.043 . 1 . . . . . 45 ASN CB . 52209 1 503 . 1 . 1 46 46 ASN N N 15 115.680 0.016 . 1 . . . . . 45 ASN N . 52209 1 504 . 1 . 1 47 47 ASN H H 1 8.043 0.004 . 1 . . . . . 46 ASN H . 52209 1 505 . 1 . 1 47 47 ASN HB2 H 1 2.697 0.000 . 2 . . . . . 46 ASN HB2 . 52209 1 506 . 1 . 1 47 47 ASN HB3 H 1 3.148 0.000 . 2 . . . . . 46 ASN HB3 . 52209 1 507 . 1 . 1 47 47 ASN C C 13 174.782 0.000 . 1 . . . . . 46 ASN C . 52209 1 508 . 1 . 1 47 47 ASN CA C 13 54.672 0.042 . 1 . . . . . 46 ASN CA . 52209 1 509 . 1 . 1 47 47 ASN CB C 13 39.075 0.082 . 1 . . . . . 46 ASN CB . 52209 1 510 . 1 . 1 47 47 ASN N N 15 116.982 0.015 . 1 . . . . . 46 ASN N . 52209 1 511 . 1 . 1 48 48 ARG H H 1 7.950 0.002 . 1 . . . . . 47 ARG H . 52209 1 512 . 1 . 1 48 48 ARG HA H 1 4.203 0.005 . 1 . . . . . 47 ARG HA . 52209 1 513 . 1 . 1 48 48 ARG HB2 H 1 1.729 0.009 . 2 . . . . . 47 ARG HB2 . 52209 1 514 . 1 . 1 48 48 ARG HB3 H 1 1.736 0.005 . 2 . . . . . 47 ARG HB3 . 52209 1 515 . 1 . 1 48 48 ARG HG2 H 1 1.569 0.003 . 2 . . . . . 47 ARG HG2 . 52209 1 516 . 1 . 1 48 48 ARG HG3 H 1 1.568 0.003 . 2 . . . . . 47 ARG HG3 . 52209 1 517 . 1 . 1 48 48 ARG HD2 H 1 3.192 0.009 . 2 . . . . . 47 ARG HD2 . 52209 1 518 . 1 . 1 48 48 ARG HD3 H 1 3.085 0.009 . 2 . . . . . 47 ARG HD3 . 52209 1 519 . 1 . 1 48 48 ARG C C 13 175.883 0.000 . 1 . . . . . 47 ARG C . 52209 1 520 . 1 . 1 48 48 ARG CA C 13 57.120 0.057 . 1 . . . . . 47 ARG CA . 52209 1 521 . 1 . 1 48 48 ARG CB C 13 31.610 0.066 . 1 . . . . . 47 ARG CB . 52209 1 522 . 1 . 1 48 48 ARG CG C 13 27.973 0.008 . 1 . . . . . 47 ARG CG . 52209 1 523 . 1 . 1 48 48 ARG CD C 13 43.762 0.053 . 1 . . . . . 47 ARG CD . 52209 1 524 . 1 . 1 48 48 ARG N N 15 120.737 0.012 . 1 . . . . . 47 ARG N . 52209 1 525 . 1 . 1 49 49 GLN H H 1 8.723 0.002 . 1 . . . . . 48 GLN H . 52209 1 526 . 1 . 1 49 49 GLN HA H 1 5.123 0.002 . 1 . . . . . 48 GLN HA . 52209 1 527 . 1 . 1 49 49 GLN HB2 H 1 2.056 0.007 . 2 . . . . . 48 GLN HB2 . 52209 1 528 . 1 . 1 49 49 GLN HB3 H 1 1.881 0.007 . 2 . . . . . 48 GLN HB3 . 52209 1 529 . 1 . 1 49 49 GLN HG2 H 1 2.198 0.010 . 2 . . . . . 48 GLN HG2 . 52209 1 530 . 1 . 1 49 49 GLN HG3 H 1 2.154 0.002 . 2 . . . . . 48 GLN HG3 . 52209 1 531 . 1 . 1 49 49 GLN C C 13 175.621 0.000 . 1 . . . . . 48 GLN C . 52209 1 532 . 1 . 1 49 49 GLN CA C 13 55.752 0.064 . 1 . . . . . 48 GLN CA . 52209 1 533 . 1 . 1 49 49 GLN CB C 13 30.584 0.036 . 1 . . . . . 48 GLN CB . 52209 1 534 . 1 . 1 49 49 GLN CG C 13 35.442 0.002 . 1 . . . . . 48 GLN CG . 52209 1 535 . 1 . 1 49 49 GLN N N 15 124.694 0.020 . 1 . . . . . 48 GLN N . 52209 1 536 . 1 . 1 50 50 VAL H H 1 9.133 0.002 . 1 . . . . . 49 VAL H . 52209 1 537 . 1 . 1 50 50 VAL HA H 1 4.739 0.004 . 1 . . . . . 49 VAL HA . 52209 1 538 . 1 . 1 50 50 VAL HB H 1 2.099 0.003 . 1 . . . . . 49 VAL HB . 52209 1 539 . 1 . 1 50 50 VAL HG11 H 1 0.769 0.003 . 2 . . . . . 49 VAL HG11 . 52209 1 540 . 1 . 1 50 50 VAL HG12 H 1 0.769 0.003 . 2 . . . . . 49 VAL HG12 . 52209 1 541 . 1 . 1 50 50 VAL HG13 H 1 0.769 0.003 . 2 . . . . . 49 VAL HG13 . 52209 1 542 . 1 . 1 50 50 VAL HG21 H 1 0.874 0.002 . 2 . . . . . 49 VAL HG21 . 52209 1 543 . 1 . 1 50 50 VAL HG22 H 1 0.874 0.002 . 2 . . . . . 49 VAL HG22 . 52209 1 544 . 1 . 1 50 50 VAL HG23 H 1 0.874 0.002 . 2 . . . . . 49 VAL HG23 . 52209 1 545 . 1 . 1 50 50 VAL C C 13 174.056 0.000 . 1 . . . . . 49 VAL C . 52209 1 546 . 1 . 1 50 50 VAL CA C 13 59.297 0.053 . 1 . . . . . 49 VAL CA . 52209 1 547 . 1 . 1 50 50 VAL CB C 13 35.726 0.094 . 1 . . . . . 49 VAL CB . 52209 1 548 . 1 . 1 50 50 VAL CG1 C 13 19.202 0.025 . 2 . . . . . 49 VAL CG1 . 52209 1 549 . 1 . 1 50 50 VAL CG2 C 13 21.690 0.005 . 2 . . . . . 49 VAL CG2 . 52209 1 550 . 1 . 1 50 50 VAL N N 15 121.385 0.011 . 1 . . . . . 49 VAL N . 52209 1 551 . 1 . 1 51 51 CYS H H 1 8.782 0.003 . 1 . . . . . 50 CYS H . 52209 1 552 . 1 . 1 51 51 CYS HA H 1 5.627 0.004 . 1 . . . . . 50 CYS HA . 52209 1 553 . 1 . 1 51 51 CYS HB2 H 1 3.556 0.004 . 2 . . . . . 50 CYS HB2 . 52209 1 554 . 1 . 1 51 51 CYS HB3 H 1 3.064 0.021 . 2 . . . . . 50 CYS HB3 . 52209 1 555 . 1 . 1 51 51 CYS C C 13 173.914 0.000 . 1 . . . . . 50 CYS C . 52209 1 556 . 1 . 1 51 51 CYS CA C 13 56.170 0.052 . 1 . . . . . 50 CYS CA . 52209 1 557 . 1 . 1 51 51 CYS CB C 13 44.972 0.066 . 1 . . . . . 50 CYS CB . 52209 1 558 . 1 . 1 51 51 CYS N N 15 121.202 0.024 . 1 . . . . . 50 CYS N . 52209 1 559 . 1 . 1 52 52 ILE H H 1 8.963 0.004 . 1 . . . . . 51 ILE H . 52209 1 560 . 1 . 1 52 52 ILE HA H 1 4.417 0.004 . 1 . . . . . 51 ILE HA . 52209 1 561 . 1 . 1 52 52 ILE HB H 1 1.548 0.005 . 1 . . . . . 51 ILE HB . 52209 1 562 . 1 . 1 52 52 ILE HG12 H 1 1.376 0.005 . 2 . . . . . 51 ILE HG12 . 52209 1 563 . 1 . 1 52 52 ILE HG13 H 1 1.035 0.004 . 2 . . . . . 51 ILE HG13 . 52209 1 564 . 1 . 1 52 52 ILE HG21 H 1 0.760 0.004 . 1 . . . . . 51 ILE HG21 . 52209 1 565 . 1 . 1 52 52 ILE HG22 H 1 0.760 0.004 . 1 . . . . . 51 ILE HG22 . 52209 1 566 . 1 . 1 52 52 ILE HG23 H 1 0.760 0.004 . 1 . . . . . 51 ILE HG23 . 52209 1 567 . 1 . 1 52 52 ILE C C 13 174.799 0.000 . 1 . . . . . 51 ILE C . 52209 1 568 . 1 . 1 52 52 ILE CA C 13 59.377 0.050 . 1 . . . . . 51 ILE CA . 52209 1 569 . 1 . 1 52 52 ILE CB C 13 39.324 0.062 . 1 . . . . . 51 ILE CB . 52209 1 570 . 1 . 1 52 52 ILE CG1 C 13 27.933 0.033 . 1 . . . . . 51 ILE CG1 . 52209 1 571 . 1 . 1 52 52 ILE CG2 C 13 17.503 0.028 . 1 . . . . . 51 ILE CG2 . 52209 1 572 . 1 . 1 52 52 ILE N N 15 125.131 0.016 . 1 . . . . . 51 ILE N . 52209 1 573 . 1 . 1 53 53 ASP H H 1 8.090 0.002 . 1 . . . . . 52 ASP H . 52209 1 574 . 1 . 1 53 53 ASP CA C 13 51.648 0.068 . 1 . . . . . 52 ASP CA . 52209 1 575 . 1 . 1 53 53 ASP CB C 13 42.782 0.000 . 1 . . . . . 52 ASP CB . 52209 1 576 . 1 . 1 53 53 ASP N N 15 128.359 0.020 . 1 . . . . . 52 ASP N . 52209 1 577 . 1 . 1 54 54 PRO HA H 1 4.055 0.002 . 1 . . . . . 53 PRO HA . 52209 1 578 . 1 . 1 54 54 PRO HB2 H 1 2.027 0.000 . 1 . . . . . 53 PRO HB2 . 52209 1 579 . 1 . 1 54 54 PRO HG2 H 1 1.880 0.000 . 2 . . . . . 53 PRO HG2 . 52209 1 580 . 1 . 1 54 54 PRO HG3 H 1 1.804 0.000 . 2 . . . . . 53 PRO HG3 . 52209 1 581 . 1 . 1 54 54 PRO C C 13 176.385 0.000 . 1 . . . . . 53 PRO C . 52209 1 582 . 1 . 1 54 54 PRO CA C 13 64.401 0.068 . 1 . . . . . 53 PRO CA . 52209 1 583 . 1 . 1 54 54 PRO CB C 13 32.049 0.063 . 1 . . . . . 53 PRO CB . 52209 1 584 . 1 . 1 54 54 PRO CG C 13 27.448 0.000 . 1 . . . . . 53 PRO CG . 52209 1 585 . 1 . 1 54 54 PRO CD C 13 50.950 0.000 . 1 . . . . . 53 PRO CD . 52209 1 586 . 1 . 1 55 55 LYS H H 1 8.088 0.002 . 1 . . . . . 54 LYS H . 52209 1 587 . 1 . 1 55 55 LYS HA H 1 4.195 0.005 . 1 . . . . . 54 LYS HA . 52209 1 588 . 1 . 1 55 55 LYS HB2 H 1 1.851 0.004 . 1 . . . . . 54 LYS HB2 . 52209 1 589 . 1 . 1 55 55 LYS HB3 H 1 1.851 0.004 . 1 . . . . . 54 LYS HB3 . 52209 1 590 . 1 . 1 55 55 LYS HG2 H 1 1.335 0.002 . 2 . . . . . 54 LYS HG2 . 52209 1 591 . 1 . 1 55 55 LYS HG3 H 1 1.275 0.001 . 2 . . . . . 54 LYS HG3 . 52209 1 592 . 1 . 1 55 55 LYS HD2 H 1 1.637 0.019 . 2 . . . . . 54 LYS HD2 . 52209 1 593 . 1 . 1 55 55 LYS HD3 H 1 1.624 0.000 . 2 . . . . . 54 LYS HD3 . 52209 1 594 . 1 . 1 55 55 LYS C C 13 176.897 0.000 . 1 . . . . . 54 LYS C . 52209 1 595 . 1 . 1 55 55 LYS CA C 13 55.545 0.050 . 1 . . . . . 54 LYS CA . 52209 1 596 . 1 . 1 55 55 LYS CB C 13 30.844 0.023 . 1 . . . . . 54 LYS CB . 52209 1 597 . 1 . 1 55 55 LYS CG C 13 25.020 0.000 . 1 . . . . . 54 LYS CG . 52209 1 598 . 1 . 1 55 55 LYS CD C 13 28.881 0.012 . 1 . . . . . 54 LYS CD . 52209 1 599 . 1 . 1 55 55 LYS CE C 13 41.962 0.000 . 1 . . . . . 54 LYS CE . 52209 1 600 . 1 . 1 55 55 LYS N N 15 117.450 0.014 . 1 . . . . . 54 LYS N . 52209 1 601 . 1 . 1 56 56 CYS H H 1 7.975 0.002 . 1 . . . . . 55 CYS H . 52209 1 602 . 1 . 1 56 56 CYS CA C 13 57.324 0.073 . 1 . . . . . 55 CYS CA . 52209 1 603 . 1 . 1 56 56 CYS CB C 13 41.335 0.000 . 1 . . . . . 55 CYS CB . 52209 1 604 . 1 . 1 56 56 CYS N N 15 120.675 0.015 . 1 . . . . . 55 CYS N . 52209 1 605 . 1 . 1 57 57 LYS HA H 1 4.097 0.007 . 1 . . . . . 56 LYS HA . 52209 1 606 . 1 . 1 57 57 LYS HB2 H 1 2.024 0.006 . 2 . . . . . 56 LYS HB2 . 52209 1 607 . 1 . 1 57 57 LYS HB3 H 1 2.026 0.006 . 2 . . . . . 56 LYS HB3 . 52209 1 608 . 1 . 1 57 57 LYS HG2 H 1 1.607 0.005 . 1 . . . . . 56 LYS HG2 . 52209 1 609 . 1 . 1 57 57 LYS HG3 H 1 1.607 0.005 . 1 . . . . . 56 LYS HG3 . 52209 1 610 . 1 . 1 57 57 LYS HD2 H 1 1.803 0.004 . 1 . . . . . 56 LYS HD2 . 52209 1 611 . 1 . 1 57 57 LYS HD3 H 1 1.803 0.004 . 1 . . . . . 56 LYS HD3 . 52209 1 612 . 1 . 1 57 57 LYS HE2 H 1 3.080 0.004 . 1 . . . . . 56 LYS HE2 . 52209 1 613 . 1 . 1 57 57 LYS HE3 H 1 3.080 0.004 . 1 . . . . . 56 LYS HE3 . 52209 1 614 . 1 . 1 57 57 LYS C C 13 178.048 0.000 . 1 . . . . . 56 LYS C . 52209 1 615 . 1 . 1 57 57 LYS CA C 13 60.484 0.051 . 1 . . . . . 56 LYS CA . 52209 1 616 . 1 . 1 57 57 LYS CB C 13 32.800 0.048 . 1 . . . . . 56 LYS CB . 52209 1 617 . 1 . 1 57 57 LYS CG C 13 25.006 0.043 . 1 . . . . . 56 LYS CG . 52209 1 618 . 1 . 1 57 57 LYS CD C 13 29.275 0.000 . 1 . . . . . 56 LYS CD . 52209 1 619 . 1 . 1 57 57 LYS CE C 13 42.429 0.000 . 1 . . . . . 56 LYS CE . 52209 1 620 . 1 . 1 58 58 TRP H H 1 7.169 0.004 . 1 . . . . . 57 TRP H . 52209 1 621 . 1 . 1 58 58 TRP HA H 1 4.919 0.003 . 1 . . . . . 57 TRP HA . 52209 1 622 . 1 . 1 58 58 TRP HB2 H 1 3.240 0.003 . 2 . . . . . 57 TRP HB2 . 52209 1 623 . 1 . 1 58 58 TRP HB3 H 1 3.759 0.002 . 2 . . . . . 57 TRP HB3 . 52209 1 624 . 1 . 1 58 58 TRP HD1 H 1 7.533 0.002 . 1 . . . . . 57 TRP HD1 . 52209 1 625 . 1 . 1 58 58 TRP HE1 H 1 10.418 0.000 . 1 . . . . . 57 TRP HE1 . 52209 1 626 . 1 . 1 58 58 TRP HE3 H 1 7.391 0.012 . 1 . . . . . 57 TRP HE3 . 52209 1 627 . 1 . 1 58 58 TRP HZ2 H 1 6.983 0.007 . 1 . . . . . 57 TRP HZ2 . 52209 1 628 . 1 . 1 58 58 TRP HZ3 H 1 6.442 0.014 . 1 . . . . . 57 TRP HZ3 . 52209 1 629 . 1 . 1 58 58 TRP HH2 H 1 6.652 0.009 . 1 . . . . . 57 TRP HH2 . 52209 1 630 . 1 . 1 58 58 TRP C C 13 177.842 0.000 . 1 . . . . . 57 TRP C . 52209 1 631 . 1 . 1 58 58 TRP CA C 13 55.579 0.045 . 1 . . . . . 57 TRP CA . 52209 1 632 . 1 . 1 58 58 TRP CB C 13 28.848 0.146 . 1 . . . . . 57 TRP CB . 52209 1 633 . 1 . 1 58 58 TRP CD1 C 13 128.594 0.035 . 1 . . . . . 57 TRP CD1 . 52209 1 634 . 1 . 1 58 58 TRP CE3 C 13 121.749 0.065 . 1 . . . . . 57 TRP CE3 . 52209 1 635 . 1 . 1 58 58 TRP CZ2 C 13 113.919 0.049 . 1 . . . . . 57 TRP CZ2 . 52209 1 636 . 1 . 1 58 58 TRP CZ3 C 13 121.446 0.137 . 1 . . . . . 57 TRP CZ3 . 52209 1 637 . 1 . 1 58 58 TRP CH2 C 13 124.287 0.025 . 1 . . . . . 57 TRP CH2 . 52209 1 638 . 1 . 1 58 58 TRP N N 15 115.157 0.019 . 1 . . . . . 57 TRP N . 52209 1 639 . 1 . 1 58 58 TRP NE1 N 15 131.616 0.000 . 1 . . . . . 57 TRP NE1 . 52209 1 640 . 1 . 1 59 59 CYS H H 1 7.777 0.002 . 1 . . . . . 58 CYS H . 52209 1 641 . 1 . 1 59 59 CYS HA H 1 3.879 0.003 . 1 . . . . . 58 CYS HA . 52209 1 642 . 1 . 1 59 59 CYS HB2 H 1 3.158 0.002 . 1 . . . . . 58 CYS HB2 . 52209 1 643 . 1 . 1 59 59 CYS HB3 H 1 3.158 0.002 . 1 . . . . . 58 CYS HB3 . 52209 1 644 . 1 . 1 59 59 CYS C C 13 175.377 0.000 . 1 . . . . . 58 CYS C . 52209 1 645 . 1 . 1 59 59 CYS CA C 13 65.141 0.072 . 1 . . . . . 58 CYS CA . 52209 1 646 . 1 . 1 59 59 CYS CB C 13 36.345 0.074 . 1 . . . . . 58 CYS CB . 52209 1 647 . 1 . 1 59 59 CYS N N 15 123.416 0.014 . 1 . . . . . 58 CYS N . 52209 1 648 . 1 . 1 60 60 GLN H H 1 8.127 0.002 . 1 . . . . . 59 GLN H . 52209 1 649 . 1 . 1 60 60 GLN HA H 1 3.944 0.002 . 1 . . . . . 59 GLN HA . 52209 1 650 . 1 . 1 60 60 GLN HB2 H 1 2.139 0.005 . 1 . . . . . 59 GLN HB2 . 52209 1 651 . 1 . 1 60 60 GLN HB3 H 1 2.139 0.005 . 1 . . . . . 59 GLN HB3 . 52209 1 652 . 1 . 1 60 60 GLN HG2 H 1 2.413 0.004 . 1 . . . . . 59 GLN HG2 . 52209 1 653 . 1 . 1 60 60 GLN HG3 H 1 2.413 0.004 . 1 . . . . . 59 GLN HG3 . 52209 1 654 . 1 . 1 60 60 GLN C C 13 178.266 0.000 . 1 . . . . . 59 GLN C . 52209 1 655 . 1 . 1 60 60 GLN CA C 13 59.554 0.039 . 1 . . . . . 59 GLN CA . 52209 1 656 . 1 . 1 60 60 GLN CB C 13 27.888 0.040 . 1 . . . . . 59 GLN CB . 52209 1 657 . 1 . 1 60 60 GLN CG C 13 33.778 0.054 . 1 . . . . . 59 GLN CG . 52209 1 658 . 1 . 1 60 60 GLN N N 15 120.202 0.015 . 1 . . . . . 59 GLN N . 52209 1 659 . 1 . 1 61 61 GLU H H 1 8.074 0.002 . 1 . . . . . 60 GLU H . 52209 1 660 . 1 . 1 61 61 GLU HA H 1 4.101 0.005 . 1 . . . . . 60 GLU HA . 52209 1 661 . 1 . 1 61 61 GLU HB2 H 1 2.175 0.005 . 2 . . . . . 60 GLU HB2 . 52209 1 662 . 1 . 1 61 61 GLU HB3 H 1 2.100 0.004 . 2 . . . . . 60 GLU HB3 . 52209 1 663 . 1 . 1 61 61 GLU HG2 H 1 2.376 0.007 . 2 . . . . . 60 GLU HG2 . 52209 1 664 . 1 . 1 61 61 GLU HG3 H 1 2.265 0.008 . 2 . . . . . 60 GLU HG3 . 52209 1 665 . 1 . 1 61 61 GLU C C 13 178.416 0.000 . 1 . . . . . 60 GLU C . 52209 1 666 . 1 . 1 61 61 GLU CA C 13 59.262 0.095 . 1 . . . . . 60 GLU CA . 52209 1 667 . 1 . 1 61 61 GLU CB C 13 29.634 0.032 . 1 . . . . . 60 GLU CB . 52209 1 668 . 1 . 1 61 61 GLU CG C 13 36.634 0.039 . 1 . . . . . 60 GLU CG . 52209 1 669 . 1 . 1 61 61 GLU N N 15 119.751 0.011 . 1 . . . . . 60 GLU N . 52209 1 670 . 1 . 1 62 62 TYR H H 1 7.702 0.002 . 1 . . . . . 61 TYR H . 52209 1 671 . 1 . 1 62 62 TYR HA H 1 4.304 0.004 . 1 . . . . . 61 TYR HA . 52209 1 672 . 1 . 1 62 62 TYR HB2 H 1 3.233 0.002 . 2 . . . . . 61 TYR HB2 . 52209 1 673 . 1 . 1 62 62 TYR HB3 H 1 3.407 0.001 . 2 . . . . . 61 TYR HB3 . 52209 1 674 . 1 . 1 62 62 TYR HD1 H 1 7.109 0.001 . 1 . . . . . 61 TYR HD1 . 52209 1 675 . 1 . 1 62 62 TYR HD2 H 1 7.109 0.001 . 1 . . . . . 61 TYR HD2 . 52209 1 676 . 1 . 1 62 62 TYR HE1 H 1 6.752 0.008 . 1 . . . . . 61 TYR HE1 . 52209 1 677 . 1 . 1 62 62 TYR HE2 H 1 6.752 0.008 . 1 . . . . . 61 TYR HE2 . 52209 1 678 . 1 . 1 62 62 TYR C C 13 177.628 0.000 . 1 . . . . . 61 TYR C . 52209 1 679 . 1 . 1 62 62 TYR CA C 13 61.224 0.048 . 1 . . . . . 61 TYR CA . 52209 1 680 . 1 . 1 62 62 TYR CB C 13 38.940 0.058 . 1 . . . . . 61 TYR CB . 52209 1 681 . 1 . 1 62 62 TYR CE1 C 13 118.313 0.000 . 1 . . . . . 61 TYR CE1 . 52209 1 682 . 1 . 1 62 62 TYR CE2 C 13 118.313 0.000 . 1 . . . . . 61 TYR CE2 . 52209 1 683 . 1 . 1 62 62 TYR N N 15 119.720 0.166 . 1 . . . . . 61 TYR N . 52209 1 684 . 1 . 1 63 63 LEU H H 1 8.336 0.004 . 1 . . . . . 62 LEU H . 52209 1 685 . 1 . 1 63 63 LEU HA H 1 3.796 0.004 . 1 . . . . . 62 LEU HA . 52209 1 686 . 1 . 1 63 63 LEU HB2 H 1 1.471 0.008 . 2 . . . . . 62 LEU HB2 . 52209 1 687 . 1 . 1 63 63 LEU HB3 H 1 1.476 0.004 . 2 . . . . . 62 LEU HB3 . 52209 1 688 . 1 . 1 63 63 LEU HG H 1 1.856 0.014 . 1 . . . . . 62 LEU HG . 52209 1 689 . 1 . 1 63 63 LEU HD11 H 1 0.854 0.004 . 2 . . . . . 62 LEU HD11 . 52209 1 690 . 1 . 1 63 63 LEU HD12 H 1 0.854 0.004 . 2 . . . . . 62 LEU HD12 . 52209 1 691 . 1 . 1 63 63 LEU HD13 H 1 0.854 0.004 . 2 . . . . . 62 LEU HD13 . 52209 1 692 . 1 . 1 63 63 LEU HD21 H 1 0.840 0.003 . 2 . . . . . 62 LEU HD21 . 52209 1 693 . 1 . 1 63 63 LEU HD22 H 1 0.840 0.003 . 2 . . . . . 62 LEU HD22 . 52209 1 694 . 1 . 1 63 63 LEU HD23 H 1 0.840 0.003 . 2 . . . . . 62 LEU HD23 . 52209 1 695 . 1 . 1 63 63 LEU C C 13 178.809 0.000 . 1 . . . . . 62 LEU C . 52209 1 696 . 1 . 1 63 63 LEU CA C 13 57.674 0.064 . 1 . . . . . 62 LEU CA . 52209 1 697 . 1 . 1 63 63 LEU CB C 13 42.012 0.045 . 1 . . . . . 62 LEU CB . 52209 1 698 . 1 . 1 63 63 LEU CG C 13 27.353 0.042 . 1 . . . . . 62 LEU CG . 52209 1 699 . 1 . 1 63 63 LEU CD1 C 13 25.833 0.003 . 2 . . . . . 62 LEU CD1 . 52209 1 700 . 1 . 1 63 63 LEU CD2 C 13 23.723 0.012 . 2 . . . . . 62 LEU CD2 . 52209 1 701 . 1 . 1 63 63 LEU N N 15 119.905 0.017 . 1 . . . . . 62 LEU N . 52209 1 702 . 1 . 1 64 64 GLU H H 1 8.003 0.001 . 1 . . . . . 63 GLU H . 52209 1 703 . 1 . 1 64 64 GLU HA H 1 3.958 0.005 . 1 . . . . . 63 GLU HA . 52209 1 704 . 1 . 1 64 64 GLU HB2 H 1 2.057 0.005 . 2 . . . . . 63 GLU HB2 . 52209 1 705 . 1 . 1 64 64 GLU HB3 H 1 2.126 0.003 . 2 . . . . . 63 GLU HB3 . 52209 1 706 . 1 . 1 64 64 GLU HG2 H 1 2.247 0.004 . 2 . . . . . 63 GLU HG2 . 52209 1 707 . 1 . 1 64 64 GLU HG3 H 1 2.395 0.010 . 2 . . . . . 63 GLU HG3 . 52209 1 708 . 1 . 1 64 64 GLU C C 13 178.669 0.000 . 1 . . . . . 63 GLU C . 52209 1 709 . 1 . 1 64 64 GLU CA C 13 59.045 0.031 . 1 . . . . . 63 GLU CA . 52209 1 710 . 1 . 1 64 64 GLU CB C 13 29.635 0.036 . 1 . . . . . 63 GLU CB . 52209 1 711 . 1 . 1 64 64 GLU CG C 13 36.539 0.058 . 1 . . . . . 63 GLU CG . 52209 1 712 . 1 . 1 64 64 GLU N N 15 118.775 0.016 . 1 . . . . . 63 GLU N . 52209 1 713 . 1 . 1 65 65 LYS H H 1 7.540 0.001 . 1 . . . . . 64 LYS H . 52209 1 714 . 1 . 1 65 65 LYS HA H 1 4.189 0.008 . 1 . . . . . 64 LYS HA . 52209 1 715 . 1 . 1 65 65 LYS HB2 H 1 1.856 0.014 . 1 . . . . . 64 LYS HB2 . 52209 1 716 . 1 . 1 65 65 LYS HB3 H 1 1.856 0.014 . 1 . . . . . 64 LYS HB3 . 52209 1 717 . 1 . 1 65 65 LYS HG2 H 1 1.463 0.010 . 1 . . . . . 64 LYS HG2 . 52209 1 718 . 1 . 1 65 65 LYS HG3 H 1 1.464 0.010 . 1 . . . . . 64 LYS HG3 . 52209 1 719 . 1 . 1 65 65 LYS HD2 H 1 1.567 0.008 . 2 . . . . . 64 LYS HD2 . 52209 1 720 . 1 . 1 65 65 LYS HD3 H 1 1.681 0.009 . 2 . . . . . 64 LYS HD3 . 52209 1 721 . 1 . 1 65 65 LYS HE2 H 1 2.998 0.007 . 1 . . . . . 64 LYS HE2 . 52209 1 722 . 1 . 1 65 65 LYS HE3 H 1 2.997 0.006 . 1 . . . . . 64 LYS HE3 . 52209 1 723 . 1 . 1 65 65 LYS C C 13 178.123 0.000 . 1 . . . . . 64 LYS C . 52209 1 724 . 1 . 1 65 65 LYS CA C 13 57.554 0.043 . 1 . . . . . 64 LYS CA . 52209 1 725 . 1 . 1 65 65 LYS CB C 13 32.665 0.035 . 1 . . . . . 64 LYS CB . 52209 1 726 . 1 . 1 65 65 LYS CG C 13 25.400 0.048 . 1 . . . . . 64 LYS CG . 52209 1 727 . 1 . 1 65 65 LYS CD C 13 29.161 0.037 . 1 . . . . . 64 LYS CD . 52209 1 728 . 1 . 1 65 65 LYS N N 15 117.949 0.009 . 1 . . . . . 64 LYS N . 52209 1 729 . 1 . 1 66 66 ALA H H 1 7.945 0.002 . 1 . . . . . 65 ALA H . 52209 1 730 . 1 . 1 66 66 ALA HA H 1 4.126 0.006 . 1 . . . . . 65 ALA HA . 52209 1 731 . 1 . 1 66 66 ALA HB1 H 1 1.160 0.003 . 1 . . . . . 65 ALA HB1 . 52209 1 732 . 1 . 1 66 66 ALA HB2 H 1 1.160 0.003 . 1 . . . . . 65 ALA HB2 . 52209 1 733 . 1 . 1 66 66 ALA HB3 H 1 1.160 0.003 . 1 . . . . . 65 ALA HB3 . 52209 1 734 . 1 . 1 66 66 ALA C C 13 178.833 0.000 . 1 . . . . . 65 ALA C . 52209 1 735 . 1 . 1 66 66 ALA CA C 13 53.646 0.050 . 1 . . . . . 65 ALA CA . 52209 1 736 . 1 . 1 66 66 ALA CB C 13 19.259 0.033 . 1 . . . . . 65 ALA CB . 52209 1 737 . 1 . 1 66 66 ALA N N 15 122.252 0.013 . 1 . . . . . 65 ALA N . 52209 1 738 . 1 . 1 67 67 LEU H H 1 7.869 0.001 . 1 . . . . . 66 LEU H . 52209 1 739 . 1 . 1 67 67 LEU HA H 1 4.292 0.003 . 1 . . . . . 66 LEU HA . 52209 1 740 . 1 . 1 67 67 LEU HB2 H 1 1.685 0.006 . 2 . . . . . 66 LEU HB2 . 52209 1 741 . 1 . 1 67 67 LEU HB3 H 1 1.568 0.003 . 2 . . . . . 66 LEU HB3 . 52209 1 742 . 1 . 1 67 67 LEU HG H 1 1.605 0.002 . 1 . . . . . 66 LEU HG . 52209 1 743 . 1 . 1 67 67 LEU HD11 H 1 0.843 0.003 . 2 . . . . . 66 LEU HD11 . 52209 1 744 . 1 . 1 67 67 LEU HD12 H 1 0.843 0.003 . 2 . . . . . 66 LEU HD12 . 52209 1 745 . 1 . 1 67 67 LEU HD13 H 1 0.843 0.003 . 2 . . . . . 66 LEU HD13 . 52209 1 746 . 1 . 1 67 67 LEU HD21 H 1 0.885 0.010 . 2 . . . . . 66 LEU HD21 . 52209 1 747 . 1 . 1 67 67 LEU HD22 H 1 0.885 0.010 . 2 . . . . . 66 LEU HD22 . 52209 1 748 . 1 . 1 67 67 LEU HD23 H 1 0.885 0.010 . 2 . . . . . 66 LEU HD23 . 52209 1 749 . 1 . 1 67 67 LEU C C 13 177.258 0.000 . 1 . . . . . 66 LEU C . 52209 1 750 . 1 . 1 67 67 LEU CA C 13 55.351 0.040 . 1 . . . . . 66 LEU CA . 52209 1 751 . 1 . 1 67 67 LEU CB C 13 42.256 0.042 . 1 . . . . . 66 LEU CB . 52209 1 752 . 1 . 1 67 67 LEU CG C 13 27.015 0.000 . 1 . . . . . 66 LEU CG . 52209 1 753 . 1 . 1 67 67 LEU CD1 C 13 23.406 0.049 . 2 . . . . . 66 LEU CD1 . 52209 1 754 . 1 . 1 67 67 LEU CD2 C 13 25.502 0.037 . 2 . . . . . 66 LEU CD2 . 52209 1 755 . 1 . 1 67 67 LEU N N 15 118.244 0.011 . 1 . . . . . 66 LEU N . 52209 1 756 . 1 . 1 68 68 ASN H H 1 7.921 0.002 . 1 . . . . . 67 ASN H . 52209 1 757 . 1 . 1 68 68 ASN HA H 1 4.710 0.008 . 1 . . . . . 67 ASN HA . 52209 1 758 . 1 . 1 68 68 ASN HB2 H 1 2.758 0.008 . 2 . . . . . 67 ASN HB2 . 52209 1 759 . 1 . 1 68 68 ASN HB3 H 1 2.869 0.009 . 2 . . . . . 67 ASN HB3 . 52209 1 760 . 1 . 1 68 68 ASN C C 13 174.087 0.000 . 1 . . . . . 67 ASN C . 52209 1 761 . 1 . 1 68 68 ASN CA C 13 53.427 0.050 . 1 . . . . . 67 ASN CA . 52209 1 762 . 1 . 1 68 68 ASN CB C 13 38.909 0.041 . 1 . . . . . 67 ASN CB . 52209 1 763 . 1 . 1 68 68 ASN N N 15 119.340 0.012 . 1 . . . . . 67 ASN N . 52209 1 764 . 1 . 1 69 69 LYS H H 1 7.752 0.001 . 1 . . . . . 68 LYS H . 52209 1 765 . 1 . 1 69 69 LYS HA H 1 4.154 0.000 . 1 . . . . . 68 LYS HA . 52209 1 766 . 1 . 1 69 69 LYS CA C 13 57.743 0.048 . 1 . . . . . 68 LYS CA . 52209 1 767 . 1 . 1 69 69 LYS CB C 13 33.686 0.000 . 1 . . . . . 68 LYS CB . 52209 1 768 . 1 . 1 69 69 LYS N N 15 126.763 0.014 . 1 . . . . . 68 LYS N . 52209 1 stop_ save_