data_52565 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52565 _Entry.Title ; NMR Assignment of murine CCL2-P8A Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-24 _Entry.Accession_date 2024-07-24 _Entry.Last_release_date 2024-07-24 _Entry.Original_release_date 2024-07-24 _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 'Solution NMR assignment of murine CCL2-P8A Variant' _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 'Deepak Kumar' Tripathi . . . 0000-0002-6779-4234 52565 2 Dinesh Kumar . . . 0000-0001-8079-6739 52565 3 'Krishna Mohan' Poluri . . . . 52565 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Mechanistic Biological Chemistry Lab, Indian Institute of Technology Roorkee, India' . 52565 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52565 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 52565 '15N chemical shifts' 71 52565 '1H chemical shifts' 73 52565 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 . . 2025-07-15 . original BMRB . 52565 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52565 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1002/mrc.70016 _Citation.Full_citation . _Citation.Title ; NMR Elucidation of Structure\u2013Dynamics\u2013Function Relationship of Engineered CCL2 Chemokine Monomer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mag. Res. Chem.' _Citation.Journal_name_full 'Magnetic Resonance in Chemistry' _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 2025 _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 'Deepak Kumar' Tripathi . . . . 52565 1 2 Khushboo Gulati . . . . 52565 1 3 'Siddhartha Das' Pramanik . . . . 52565 1 4 Partha Roy . . . . 52565 1 5 Dinesh Kumar . . . . 52565 1 6 'Krishna Mohan' Poluri . . . . 52565 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52565 _Assembly.ID 1 _Assembly.Name 'Mouse CCL2-P8A Variant' _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 9000 _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 'CCL2-P8A Variant' 1 $entity_1 . . yes native no no . . . 52565 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Facilitate the migration of macrophage/monocytes at the site of inflammation' 52565 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52565 _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 ; QPDAVNAALTCCYSFTSKMI PMSRLESYKRITSSRCPKEA VVFVTKLKREVCADPKKEWV QTYIKNLDRNQMRSEP ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Proline 8 mutated to Alanine' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Facilitate the migration of macrophage/monocytes at the site of inflammation' 52565 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 . GLN . 52565 1 2 . PRO . 52565 1 3 . ASP . 52565 1 4 . ALA . 52565 1 5 . VAL . 52565 1 6 . ASN . 52565 1 7 . ALA . 52565 1 8 . ALA . 52565 1 9 . LEU . 52565 1 10 . THR . 52565 1 11 . CYS . 52565 1 12 . CYS . 52565 1 13 . TYR . 52565 1 14 . SER . 52565 1 15 . PHE . 52565 1 16 . THR . 52565 1 17 . SER . 52565 1 18 . LYS . 52565 1 19 . MET . 52565 1 20 . ILE . 52565 1 21 . PRO . 52565 1 22 . MET . 52565 1 23 . SER . 52565 1 24 . ARG . 52565 1 25 . LEU . 52565 1 26 . GLU . 52565 1 27 . SER . 52565 1 28 . TYR . 52565 1 29 . LYS . 52565 1 30 . ARG . 52565 1 31 . ILE . 52565 1 32 . THR . 52565 1 33 . SER . 52565 1 34 . SER . 52565 1 35 . ARG . 52565 1 36 . CYS . 52565 1 37 . PRO . 52565 1 38 . LYS . 52565 1 39 . GLU . 52565 1 40 . ALA . 52565 1 41 . VAL . 52565 1 42 . VAL . 52565 1 43 . PHE . 52565 1 44 . VAL . 52565 1 45 . THR . 52565 1 46 . LYS . 52565 1 47 . LEU . 52565 1 48 . LYS . 52565 1 49 . ARG . 52565 1 50 . GLU . 52565 1 51 . VAL . 52565 1 52 . CYS . 52565 1 53 . ALA . 52565 1 54 . ASP . 52565 1 55 . PRO . 52565 1 56 . LYS . 52565 1 57 . LYS . 52565 1 58 . GLU . 52565 1 59 . TRP . 52565 1 60 . VAL . 52565 1 61 . GLN . 52565 1 62 . THR . 52565 1 63 . TYR . 52565 1 64 . ILE . 52565 1 65 . LYS . 52565 1 66 . ASN . 52565 1 67 . LEU . 52565 1 68 . ASP . 52565 1 69 . ARG . 52565 1 70 . ASN . 52565 1 71 . GLN . 52565 1 72 . MET . 52565 1 73 . ARG . 52565 1 74 . SER . 52565 1 75 . GLU . 52565 1 76 . PRO . 52565 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 . GLN 1 1 52565 1 . PRO 2 2 52565 1 . ASP 3 3 52565 1 . ALA 4 4 52565 1 . VAL 5 5 52565 1 . ASN 6 6 52565 1 . ALA 7 7 52565 1 . ALA 8 8 52565 1 . LEU 9 9 52565 1 . THR 10 10 52565 1 . CYS 11 11 52565 1 . CYS 12 12 52565 1 . TYR 13 13 52565 1 . SER 14 14 52565 1 . PHE 15 15 52565 1 . THR 16 16 52565 1 . SER 17 17 52565 1 . LYS 18 18 52565 1 . MET 19 19 52565 1 . ILE 20 20 52565 1 . PRO 21 21 52565 1 . MET 22 22 52565 1 . SER 23 23 52565 1 . ARG 24 24 52565 1 . LEU 25 25 52565 1 . GLU 26 26 52565 1 . SER 27 27 52565 1 . TYR 28 28 52565 1 . LYS 29 29 52565 1 . ARG 30 30 52565 1 . ILE 31 31 52565 1 . THR 32 32 52565 1 . SER 33 33 52565 1 . SER 34 34 52565 1 . ARG 35 35 52565 1 . CYS 36 36 52565 1 . PRO 37 37 52565 1 . LYS 38 38 52565 1 . GLU 39 39 52565 1 . ALA 40 40 52565 1 . VAL 41 41 52565 1 . VAL 42 42 52565 1 . PHE 43 43 52565 1 . VAL 44 44 52565 1 . THR 45 45 52565 1 . LYS 46 46 52565 1 . LEU 47 47 52565 1 . LYS 48 48 52565 1 . ARG 49 49 52565 1 . GLU 50 50 52565 1 . VAL 51 51 52565 1 . CYS 52 52 52565 1 . ALA 53 53 52565 1 . ASP 54 54 52565 1 . PRO 55 55 52565 1 . LYS 56 56 52565 1 . LYS 57 57 52565 1 . GLU 58 58 52565 1 . TRP 59 59 52565 1 . VAL 60 60 52565 1 . GLN 61 61 52565 1 . THR 62 62 52565 1 . TYR 63 63 52565 1 . ILE 64 64 52565 1 . LYS 65 65 52565 1 . ASN 66 66 52565 1 . LEU 67 67 52565 1 . ASP 68 68 52565 1 . ARG 69 69 52565 1 . ASN 70 70 52565 1 . GLN 71 71 52565 1 . MET 72 72 52565 1 . ARG 73 73 52565 1 . SER 74 74 52565 1 . GLU 75 75 52565 1 . PRO 76 76 52565 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 52565 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 52565 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 52565 _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 BL21 DE3 . plasmid . . pET . . . 52565 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52565 _Sample.ID 1 _Sample.Name 'Mouse CCL2-P8A Variant' _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM Sodium phosphate buffer, 100 mM Sodium chloride, 1% Glycerol at pH 6.0' _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 'CCL2-P8A Variant' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52565 1 2 'Sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 52565 1 3 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52565 1 4 Glycerol 'natural abundance' . . . . . . 1 . . % . . . . 52565 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 52565 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52565 1 pH 6 . pH 52565 1 pressure 1 . atm 52565 1 temperature 298 . K 52565 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52565 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52565 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 52565 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE NMR spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52565 _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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52565 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52565 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52565 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52565 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52565 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 52565 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Condition 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52565 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52565 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52565 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 52565 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Final Mouse CCL2-P8A' _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 2 '3D HNCO' . . . 52565 1 3 '3D HNCA' . . . 52565 1 4 '3D CBCA(CO)NH' . . . 52565 1 5 '3D HNCACB' . . . 52565 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 . . 52565 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 1 1 GLN H H 1 8.497 0.020 . 1 . . . . . 1 GLN H . 52565 1 2 . 1 . 1 1 1 GLN C C 13 173.723 0.3 . 1 . . . . . 1 GLN C . 52565 1 3 . 1 . 1 1 1 GLN CA C 13 57.163 0.3 . 1 . . . . . 1 GLN CA . 52565 1 4 . 1 . 1 1 1 GLN CB C 13 31.285 0.3 . 1 . . . . . 1 GLN CB . 52565 1 5 . 1 . 1 1 1 GLN N N 15 121.719 0.3 . 1 . . . . . 1 GLN N . 52565 1 6 . 1 . 1 3 3 ASP H H 1 8.310 0.020 . 1 . . . . . 3 ASP H . 52565 1 7 . 1 . 1 3 3 ASP C C 13 173.255 0.3 . 1 . . . . . 3 ASP C . 52565 1 8 . 1 . 1 3 3 ASP CA C 13 54.559 0.3 . 1 . . . . . 3 ASP CA . 52565 1 9 . 1 . 1 3 3 ASP CB C 13 41.333 0.3 . 1 . . . . . 3 ASP CB . 52565 1 10 . 1 . 1 3 3 ASP N N 15 119.923 0.3 . 1 . . . . . 3 ASP N . 52565 1 11 . 1 . 1 4 4 ALA H H 1 8.257 0.020 . 1 . . . . . 4 ALA H . 52565 1 12 . 1 . 1 4 4 ALA C C 13 175.090 0.3 . 1 . . . . . 4 ALA C . 52565 1 13 . 1 . 1 4 4 ALA CA C 13 52.733 0.3 . 1 . . . . . 4 ALA CA . 52565 1 14 . 1 . 1 4 4 ALA CB C 13 19.505 0.3 . 1 . . . . . 4 ALA CB . 52565 1 15 . 1 . 1 4 4 ALA N N 15 124.142 0.3 . 1 . . . . . 4 ALA N . 52565 1 16 . 1 . 1 5 5 VAL H H 1 8.009 0.020 . 1 . . . . . 5 VAL H . 52565 1 17 . 1 . 1 5 5 VAL C C 13 175.739 0.3 . 1 . . . . . 5 VAL C . 52565 1 18 . 1 . 1 5 5 VAL CA C 13 63.072 0.3 . 1 . . . . . 5 VAL CA . 52565 1 19 . 1 . 1 5 5 VAL CB C 13 32.715 0.3 . 1 . . . . . 5 VAL CB . 52565 1 20 . 1 . 1 5 5 VAL N N 15 118.872 0.3 . 1 . . . . . 5 VAL N . 52565 1 21 . 1 . 1 6 6 ASN H H 1 8.339 0.020 . 1 . . . . . 6 ASN H . 52565 1 22 . 1 . 1 6 6 ASN C C 13 174.501 0.3 . 1 . . . . . 6 ASN C . 52565 1 23 . 1 . 1 6 6 ASN CA C 13 53.430 0.3 . 1 . . . . . 6 ASN CA . 52565 1 24 . 1 . 1 6 6 ASN CB C 13 38.970 0.3 . 1 . . . . . 6 ASN CB . 52565 1 25 . 1 . 1 6 6 ASN N N 15 121.197 0.3 . 1 . . . . . 6 ASN N . 52565 1 26 . 1 . 1 7 7 ALA H H 1 8.106 0.020 . 1 . . . . . 7 ALA H . 52565 1 27 . 1 . 1 7 7 ALA C C 13 174.485 0.3 . 1 . . . . . 7 ALA C . 52565 1 28 . 1 . 1 7 7 ALA CA C 13 52.818 0.3 . 1 . . . . . 7 ALA CA . 52565 1 29 . 1 . 1 7 7 ALA CB C 13 19.494 0.3 . 1 . . . . . 7 ALA CB . 52565 1 30 . 1 . 1 7 7 ALA N N 15 124.315 0.3 . 1 . . . . . 7 ALA N . 52565 1 31 . 1 . 1 8 8 ALA H H 1 8.105 0.020 . 1 . . . . . 8 ALA H . 52565 1 32 . 1 . 1 8 8 ALA C C 13 174.719 0.3 . 1 . . . . . 8 ALA C . 52565 1 33 . 1 . 1 8 8 ALA CA C 13 52.563 0.3 . 1 . . . . . 8 ALA CA . 52565 1 34 . 1 . 1 8 8 ALA CB C 13 20.101 0.3 . 1 . . . . . 8 ALA CB . 52565 1 35 . 1 . 1 8 8 ALA N N 15 122.451 0.3 . 1 . . . . . 8 ALA N . 52565 1 36 . 1 . 1 9 9 LEU H H 1 8.218 0.020 . 1 . . . . . 9 LEU H . 52565 1 37 . 1 . 1 9 9 LEU C C 13 174.114 0.3 . 1 . . . . . 9 LEU C . 52565 1 38 . 1 . 1 9 9 LEU CA C 13 55.507 0.3 . 1 . . . . . 9 LEU CA . 52565 1 39 . 1 . 1 9 9 LEU CB C 13 42.991 0.3 . 1 . . . . . 9 LEU CB . 52565 1 40 . 1 . 1 9 9 LEU N N 15 122.071 0.3 . 1 . . . . . 9 LEU N . 52565 1 41 . 1 . 1 10 10 THR H H 1 8.221 0.020 . 1 . . . . . 10 THR H . 52565 1 42 . 1 . 1 10 10 THR C C 13 170.873 0.3 . 1 . . . . . 10 THR C . 52565 1 43 . 1 . 1 10 10 THR CA C 13 62.567 0.3 . 1 . . . . . 10 THR CA . 52565 1 44 . 1 . 1 10 10 THR CB C 13 69.971 0.3 . 1 . . . . . 10 THR CB . 52565 1 45 . 1 . 1 10 10 THR N N 15 118.090 0.3 . 1 . . . . . 10 THR N . 52565 1 46 . 1 . 1 11 11 CYS H H 1 8.035 0.020 . 1 . . . . . 11 CYS H . 52565 1 47 . 1 . 1 11 11 CYS C C 13 170.619 0.3 . 1 . . . . . 11 CYS C . 52565 1 48 . 1 . 1 11 11 CYS CA C 13 52.619 0.3 . 1 . . . . . 11 CYS CA . 52565 1 49 . 1 . 1 11 11 CYS CB C 13 39.676 0.3 . 1 . . . . . 11 CYS CB . 52565 1 50 . 1 . 1 11 11 CYS N N 15 117.886 0.3 . 1 . . . . . 11 CYS N . 52565 1 51 . 1 . 1 12 12 CYS H H 1 7.515 0.020 . 1 . . . . . 12 CYS H . 52565 1 52 . 1 . 1 12 12 CYS C C 13 172.864 0.3 . 1 . . . . . 12 CYS C . 52565 1 53 . 1 . 1 12 12 CYS CA C 13 55.311 0.3 . 1 . . . . . 12 CYS CA . 52565 1 54 . 1 . 1 12 12 CYS CB C 13 43.123 0.3 . 1 . . . . . 12 CYS CB . 52565 1 55 . 1 . 1 12 12 CYS N N 15 116.251 0.3 . 1 . . . . . 12 CYS N . 52565 1 56 . 1 . 1 13 13 TYR H H 1 9.087 0.020 . 1 . . . . . 13 TYR H . 52565 1 57 . 1 . 1 13 13 TYR C C 13 171.693 0.3 . 1 . . . . . 13 TYR C . 52565 1 58 . 1 . 1 13 13 TYR CA C 13 59.064 0.3 . 1 . . . . . 13 TYR CA . 52565 1 59 . 1 . 1 13 13 TYR CB C 13 39.013 0.3 . 1 . . . . . 13 TYR CB . 52565 1 60 . 1 . 1 13 13 TYR N N 15 122.615 0.3 . 1 . . . . . 13 TYR N . 52565 1 61 . 1 . 1 14 14 SER H H 1 7.458 0.020 . 1 . . . . . 14 SER H . 52565 1 62 . 1 . 1 14 14 SER C C 13 171.569 0.3 . 1 . . . . . 14 SER C . 52565 1 63 . 1 . 1 14 14 SER CA C 13 56.818 0.3 . 1 . . . . . 14 SER CA . 52565 1 64 . 1 . 1 14 14 SER CB C 13 64.837 0.3 . 1 . . . . . 14 SER CB . 52565 1 65 . 1 . 1 14 14 SER N N 15 112.753 0.3 . 1 . . . . . 14 SER N . 52565 1 66 . 1 . 1 15 15 PHE H H 1 8.489 0.020 . 1 . . . . . 15 PHE H . 52565 1 67 . 1 . 1 15 15 PHE C C 13 173.548 0.3 . 1 . . . . . 15 PHE C . 52565 1 68 . 1 . 1 15 15 PHE CA C 13 55.255 0.3 . 1 . . . . . 15 PHE CA . 52565 1 69 . 1 . 1 15 15 PHE CB C 13 42.093 0.3 . 1 . . . . . 15 PHE CB . 52565 1 70 . 1 . 1 15 15 PHE N N 15 118.884 0.3 . 1 . . . . . 15 PHE N . 52565 1 71 . 1 . 1 16 16 THR H H 1 8.649 0.020 . 1 . . . . . 16 THR H . 52565 1 72 . 1 . 1 16 16 THR CA C 13 62.663 0.3 . 1 . . . . . 16 THR CA . 52565 1 73 . 1 . 1 16 16 THR CB C 13 69.708 0.3 . 1 . . . . . 16 THR CB . 52565 1 74 . 1 . 1 16 16 THR N N 15 116.885 0.3 . 1 . . . . . 16 THR N . 52565 1 75 . 1 . 1 17 17 SER H H 1 8.823 0.020 . 1 . . . . . 17 SER H . 52565 1 76 . 1 . 1 17 17 SER C C 13 171.439 0.3 . 1 . . . . . 17 SER C . 52565 1 77 . 1 . 1 17 17 SER CA C 13 59.392 0.3 . 1 . . . . . 17 SER CA . 52565 1 78 . 1 . 1 17 17 SER CB C 13 64.270 0.3 . 1 . . . . . 17 SER CB . 52565 1 79 . 1 . 1 17 17 SER N N 15 121.782 0.3 . 1 . . . . . 17 SER N . 52565 1 80 . 1 . 1 18 18 LYS H H 1 7.901 0.020 . 1 . . . . . 18 LYS H . 52565 1 81 . 1 . 1 18 18 LYS C C 13 172.162 0.3 . 1 . . . . . 18 LYS C . 52565 1 82 . 1 . 1 18 18 LYS CA C 13 55.283 0.3 . 1 . . . . . 18 LYS CA . 52565 1 83 . 1 . 1 18 18 LYS CB C 13 34.346 0.3 . 1 . . . . . 18 LYS CB . 52565 1 84 . 1 . 1 18 18 LYS N N 15 122.532 0.3 . 1 . . . . . 18 LYS N . 52565 1 85 . 1 . 1 19 19 MET H H 1 7.958 0.020 . 1 . . . . . 19 MET H . 52565 1 86 . 1 . 1 19 19 MET C C 13 172.162 0.3 . 1 . . . . . 19 MET C . 52565 1 87 . 1 . 1 19 19 MET CA C 13 55.793 0.3 . 1 . . . . . 19 MET CA . 52565 1 88 . 1 . 1 19 19 MET CB C 13 32.449 0.3 . 1 . . . . . 19 MET CB . 52565 1 89 . 1 . 1 19 19 MET N N 15 121.118 0.3 . 1 . . . . . 19 MET N . 52565 1 90 . 1 . 1 20 20 ILE H H 1 6.000 0.020 . 1 . . . . . 20 ILE H . 52565 1 91 . 1 . 1 20 20 ILE CA C 13 57.937 0.3 . 1 . . . . . 20 ILE CA . 52565 1 92 . 1 . 1 20 20 ILE CB C 13 40.670 0.3 . 1 . . . . . 20 ILE CB . 52565 1 93 . 1 . 1 20 20 ILE N N 15 123.941 0.3 . 1 . . . . . 20 ILE N . 52565 1 94 . 1 . 1 22 22 MET H H 1 8.305 0.020 . 1 . . . . . 22 MET H . 52565 1 95 . 1 . 1 22 22 MET C C 13 178.042 0.3 . 1 . . . . . 22 MET C . 52565 1 96 . 1 . 1 22 22 MET CA C 13 58.004 0.3 . 1 . . . . . 22 MET CA . 52565 1 97 . 1 . 1 22 22 MET CB C 13 32.251 0.3 . 1 . . . . . 22 MET CB . 52565 1 98 . 1 . 1 22 22 MET N N 15 124.788 0.3 . 1 . . . . . 22 MET N . 52565 1 99 . 1 . 1 23 23 SER H H 1 8.124 0.020 . 1 . . . . . 23 SER H . 52565 1 100 . 1 . 1 23 23 SER C C 13 175.695 0.3 . 1 . . . . . 23 SER C . 52565 1 101 . 1 . 1 23 23 SER CA C 13 60.214 0.3 . 1 . . . . . 23 SER CA . 52565 1 102 . 1 . 1 23 23 SER CB C 13 62.687 0.3 . 1 . . . . . 23 SER CB . 52565 1 103 . 1 . 1 23 23 SER N N 15 111.147 0.3 . 1 . . . . . 23 SER N . 52565 1 104 . 1 . 1 24 24 ARG H H 1 7.493 0.020 . 1 . . . . . 24 ARG H . 52565 1 105 . 1 . 1 24 24 ARG C C 13 173.704 0.3 . 1 . . . . . 24 ARG C . 52565 1 106 . 1 . 1 24 24 ARG CA C 13 55.793 0.3 . 1 . . . . . 24 ARG CA . 52565 1 107 . 1 . 1 24 24 ARG CB C 13 30.926 0.3 . 1 . . . . . 24 ARG CB . 52565 1 108 . 1 . 1 24 24 ARG N N 15 117.841 0.3 . 1 . . . . . 24 ARG N . 52565 1 109 . 1 . 1 25 25 LEU H H 1 7.650 0.020 . 1 . . . . . 25 LEU H . 52565 1 110 . 1 . 1 25 25 LEU C C 13 172.318 0.3 . 1 . . . . . 25 LEU C . 52565 1 111 . 1 . 1 25 25 LEU CA C 13 55.482 0.3 . 1 . . . . . 25 LEU CA . 52565 1 112 . 1 . 1 25 25 LEU CB C 13 44.285 0.3 . 1 . . . . . 25 LEU CB . 52565 1 113 . 1 . 1 25 25 LEU N N 15 118.540 0.3 . 1 . . . . . 25 LEU N . 52565 1 114 . 1 . 1 26 26 GLU H H 1 9.130 0.020 . 1 . . . . . 26 GLU H . 52565 1 115 . 1 . 1 26 26 GLU C C 13 172.708 0.3 . 1 . . . . . 26 GLU C . 52565 1 116 . 1 . 1 26 26 GLU CA C 13 57.183 0.3 . 1 . . . . . 26 GLU CA . 52565 1 117 . 1 . 1 26 26 GLU CB C 13 33.655 0.3 . 1 . . . . . 26 GLU CB . 52565 1 118 . 1 . 1 26 26 GLU N N 15 118.879 0.3 . 1 . . . . . 26 GLU N . 52565 1 119 . 1 . 1 27 27 SER H H 1 8.073 0.020 . 1 . . . . . 27 SER H . 52565 1 120 . 1 . 1 27 27 SER C C 13 172.767 0.3 . 1 . . . . . 27 SER C . 52565 1 121 . 1 . 1 27 27 SER CA C 13 58.441 0.3 . 1 . . . . . 27 SER CA . 52565 1 122 . 1 . 1 27 27 SER CB C 13 64.695 0.3 . 1 . . . . . 27 SER CB . 52565 1 123 . 1 . 1 27 27 SER N N 15 110.268 0.3 . 1 . . . . . 27 SER N . 52565 1 124 . 1 . 1 28 28 TYR H H 1 8.263 0.020 . 1 . . . . . 28 TYR H . 52565 1 125 . 1 . 1 28 28 TYR HA H 1 5.749 0.020 . 1 . . . . . 28 TYR HA . 52565 1 126 . 1 . 1 28 28 TYR C C 13 172.608 0.3 . 1 . . . . . 28 TYR C . 52565 1 127 . 1 . 1 28 28 TYR CA C 13 56.436 0.3 . 1 . . . . . 28 TYR CA . 52565 1 128 . 1 . 1 28 28 TYR CB C 13 42.924 0.3 . 1 . . . . . 28 TYR CB . 52565 1 129 . 1 . 1 28 28 TYR N N 15 114.686 0.3 . 1 . . . . . 28 TYR N . 52565 1 130 . 1 . 1 29 29 LYS H H 1 9.069 0.020 . 1 . . . . . 29 LYS H . 52565 1 131 . 1 . 1 29 29 LYS C C 13 174.409 0.3 . 1 . . . . . 29 LYS C . 52565 1 132 . 1 . 1 29 29 LYS CA C 13 54.808 0.3 . 1 . . . . . 29 LYS CA . 52565 1 133 . 1 . 1 29 29 LYS CB C 13 36.028 0.3 . 1 . . . . . 29 LYS CB . 52565 1 134 . 1 . 1 29 29 LYS N N 15 118.521 0.3 . 1 . . . . . 29 LYS N . 52565 1 135 . 1 . 1 30 30 ARG H H 1 8.848 0.020 . 1 . . . . . 30 ARG H . 52565 1 136 . 1 . 1 30 30 ARG C C 13 175.383 0.3 . 1 . . . . . 30 ARG C . 52565 1 137 . 1 . 1 30 30 ARG CA C 13 56.303 0.3 . 1 . . . . . 30 ARG CA . 52565 1 138 . 1 . 1 30 30 ARG CB C 13 32.214 0.3 . 1 . . . . . 30 ARG CB . 52565 1 139 . 1 . 1 30 30 ARG N N 15 120.673 0.3 . 1 . . . . . 30 ARG N . 52565 1 140 . 1 . 1 31 31 ILE H H 1 8.532 0.020 . 1 . . . . . 31 ILE H . 52565 1 141 . 1 . 1 31 31 ILE C C 13 172.884 0.3 . 1 . . . . . 31 ILE C . 52565 1 142 . 1 . 1 31 31 ILE CA C 13 60.438 0.3 . 1 . . . . . 31 ILE CA . 52565 1 143 . 1 . 1 31 31 ILE CB C 13 38.970 0.3 . 1 . . . . . 31 ILE CB . 52565 1 144 . 1 . 1 31 31 ILE N N 15 123.898 0.3 . 1 . . . . . 31 ILE N . 52565 1 145 . 1 . 1 32 32 THR H H 1 8.348 0.020 . 1 . . . . . 32 THR H . 52565 1 146 . 1 . 1 32 32 THR C C 13 171.947 0.3 . 1 . . . . . 32 THR C . 52565 1 147 . 1 . 1 32 32 THR CA C 13 60.583 0.3 . 1 . . . . . 32 THR CA . 52565 1 148 . 1 . 1 32 32 THR CB C 13 70.501 0.3 . 1 . . . . . 32 THR CB . 52565 1 149 . 1 . 1 32 32 THR N N 15 116.389 0.3 . 1 . . . . . 32 THR N . 52565 1 150 . 1 . 1 33 33 SER H H 1 7.880 0.020 . 1 . . . . . 33 SER H . 52565 1 151 . 1 . 1 33 33 SER C C 13 178.455 0.3 . 1 . . . . . 33 SER C . 52565 1 152 . 1 . 1 33 33 SER CA C 13 58.287 0.3 . 1 . . . . . 33 SER CA . 52565 1 153 . 1 . 1 33 33 SER CB C 13 64.137 0.3 . 1 . . . . . 33 SER CB . 52565 1 154 . 1 . 1 33 33 SER N N 15 115.610 0.3 . 1 . . . . . 33 SER N . 52565 1 155 . 1 . 1 34 34 SER H H 1 8.347 0.020 . 1 . . . . . 34 SER H . 52565 1 156 . 1 . 1 34 34 SER C C 13 173.255 0.3 . 1 . . . . . 34 SER C . 52565 1 157 . 1 . 1 34 34 SER CA C 13 58.551 0.3 . 1 . . . . . 34 SER CA . 52565 1 158 . 1 . 1 34 34 SER CB C 13 64.348 0.3 . 1 . . . . . 34 SER CB . 52565 1 159 . 1 . 1 34 34 SER N N 15 118.100 0.3 . 1 . . . . . 34 SER N . 52565 1 160 . 1 . 1 35 35 ARG H H 1 7.965 0.020 . 1 . . . . . 35 ARG H . 52565 1 161 . 1 . 1 35 35 ARG C C 13 171.107 0.3 . 1 . . . . . 35 ARG C . 52565 1 162 . 1 . 1 35 35 ARG CA C 13 53.951 0.3 . 1 . . . . . 35 ARG CA . 52565 1 163 . 1 . 1 35 35 ARG CB C 13 31.682 0.3 . 1 . . . . . 35 ARG CB . 52565 1 164 . 1 . 1 35 35 ARG N N 15 121.686 0.3 . 1 . . . . . 35 ARG N . 52565 1 165 . 1 . 1 36 36 CYS H H 1 7.428 0.020 . 1 . . . . . 36 CYS H . 52565 1 166 . 1 . 1 36 36 CYS C C 13 170.951 0.3 . 1 . . . . . 36 CYS C . 52565 1 167 . 1 . 1 36 36 CYS CA C 13 50.862 0.3 . 1 . . . . . 36 CYS CA . 52565 1 168 . 1 . 1 36 36 CYS CB C 13 37.422 0.3 . 1 . . . . . 36 CYS CB . 52565 1 169 . 1 . 1 36 36 CYS N N 15 116.913 0.3 . 1 . . . . . 36 CYS N . 52565 1 170 . 1 . 1 38 38 LYS H H 1 6.773 0.020 . 1 . . . . . 38 LYS H . 52565 1 171 . 1 . 1 38 38 LYS C C 13 175.024 0.3 . 1 . . . . . 38 LYS C . 52565 1 172 . 1 . 1 38 38 LYS CA C 13 54.434 0.3 . 1 . . . . . 38 LYS CA . 52565 1 173 . 1 . 1 38 38 LYS CB C 13 35.907 0.3 . 1 . . . . . 38 LYS CB . 52565 1 174 . 1 . 1 38 38 LYS N N 15 112.187 0.3 . 1 . . . . . 38 LYS N . 52565 1 175 . 1 . 1 39 39 GLU H H 1 8.463 0.020 . 1 . . . . . 39 GLU H . 52565 1 176 . 1 . 1 39 39 GLU C C 13 172.845 0.3 . 1 . . . . . 39 GLU C . 52565 1 177 . 1 . 1 39 39 GLU CA C 13 56.929 0.3 . 1 . . . . . 39 GLU CA . 52565 1 178 . 1 . 1 39 39 GLU CB C 13 29.869 0.3 . 1 . . . . . 39 GLU CB . 52565 1 179 . 1 . 1 39 39 GLU N N 15 123.573 0.3 . 1 . . . . . 39 GLU N . 52565 1 180 . 1 . 1 40 40 ALA H H 1 8.476 0.020 . 1 . . . . . 40 ALA H . 52565 1 181 . 1 . 1 40 40 ALA C C 13 173.458 0.3 . 1 . . . . . 40 ALA C . 52565 1 182 . 1 . 1 40 40 ALA CA C 13 51.344 0.3 . 1 . . . . . 40 ALA CA . 52565 1 183 . 1 . 1 40 40 ALA CB C 13 25.352 0.3 . 1 . . . . . 40 ALA CB . 52565 1 184 . 1 . 1 40 40 ALA N N 15 121.251 0.3 . 1 . . . . . 40 ALA N . 52565 1 185 . 1 . 1 41 41 VAL H H 1 8.303 0.020 . 1 . . . . . 41 VAL H . 52565 1 186 . 1 . 1 41 41 VAL C C 13 172.612 0.3 . 1 . . . . . 41 VAL C . 52565 1 187 . 1 . 1 41 41 VAL CA C 13 61.821 0.3 . 1 . . . . . 41 VAL CA . 52565 1 188 . 1 . 1 41 41 VAL CB C 13 34.694 0.3 . 1 . . . . . 41 VAL CB . 52565 1 189 . 1 . 1 41 41 VAL N N 15 121.743 0.3 . 1 . . . . . 41 VAL N . 52565 1 190 . 1 . 1 42 42 VAL H H 1 8.857 0.020 . 1 . . . . . 42 VAL H . 52565 1 191 . 1 . 1 42 42 VAL C C 13 176.224 0.3 . 1 . . . . . 42 VAL C . 52565 1 192 . 1 . 1 42 42 VAL CA C 13 60.441 0.3 . 1 . . . . . 42 VAL CA . 52565 1 193 . 1 . 1 42 42 VAL CB C 13 34.181 0.3 . 1 . . . . . 42 VAL CB . 52565 1 194 . 1 . 1 42 42 VAL N N 15 125.287 0.3 . 1 . . . . . 42 VAL N . 52565 1 195 . 1 . 1 43 43 PHE H H 1 9.190 0.020 . 1 . . . . . 43 PHE H . 52565 1 196 . 1 . 1 43 43 PHE C C 13 174.233 0.3 . 1 . . . . . 43 PHE C . 52565 1 197 . 1 . 1 43 43 PHE CA C 13 57.947 0.3 . 1 . . . . . 43 PHE CA . 52565 1 198 . 1 . 1 43 43 PHE CB C 13 41.960 0.3 . 1 . . . . . 43 PHE CB . 52565 1 199 . 1 . 1 43 43 PHE N N 15 124.791 0.3 . 1 . . . . . 43 PHE N . 52565 1 200 . 1 . 1 44 44 VAL H H 1 8.759 0.020 . 1 . . . . . 44 VAL H . 52565 1 201 . 1 . 1 44 44 VAL C C 13 174.797 0.3 . 1 . . . . . 44 VAL C . 52565 1 202 . 1 . 1 44 44 VAL CA C 13 61.405 0.3 . 1 . . . . . 44 VAL CA . 52565 1 203 . 1 . 1 44 44 VAL CB C 13 32.447 0.3 . 1 . . . . . 44 VAL CB . 52565 1 204 . 1 . 1 44 44 VAL N N 15 122.219 0.3 . 1 . . . . . 44 VAL N . 52565 1 205 . 1 . 1 45 45 THR H H 1 9.291 0.020 . 1 . . . . . 45 THR H . 52565 1 206 . 1 . 1 45 45 THR C C 13 176.230 0.3 . 1 . . . . . 45 THR C . 52565 1 207 . 1 . 1 45 45 THR CA C 13 60.809 0.3 . 1 . . . . . 45 THR CA . 52565 1 208 . 1 . 1 45 45 THR CB C 13 71.932 0.3 . 1 . . . . . 45 THR CB . 52565 1 209 . 1 . 1 45 45 THR N N 15 118.007 0.3 . 1 . . . . . 45 THR N . 52565 1 210 . 1 . 1 46 46 LYS H H 1 8.583 0.020 . 1 . . . . . 46 LYS H . 52565 1 211 . 1 . 1 46 46 LYS C C 13 174.563 0.3 . 1 . . . . . 46 LYS C . 52565 1 212 . 1 . 1 46 46 LYS CA C 13 59.222 0.3 . 1 . . . . . 46 LYS CA . 52565 1 213 . 1 . 1 46 46 LYS CB C 13 32.659 0.3 . 1 . . . . . 46 LYS CB . 52565 1 214 . 1 . 1 46 46 LYS N N 15 119.526 0.3 . 1 . . . . . 46 LYS N . 52565 1 215 . 1 . 1 47 47 LEU H H 1 7.403 0.020 . 1 . . . . . 47 LEU H . 52565 1 216 . 1 . 1 47 47 LEU C C 13 172.864 0.3 . 1 . . . . . 47 LEU C . 52565 1 217 . 1 . 1 47 47 LEU CA C 13 54.556 0.3 . 1 . . . . . 47 LEU CA . 52565 1 218 . 1 . 1 47 47 LEU CB C 13 40.831 0.3 . 1 . . . . . 47 LEU CB . 52565 1 219 . 1 . 1 47 47 LEU N N 15 117.597 0.3 . 1 . . . . . 47 LEU N . 52565 1 220 . 1 . 1 48 48 LYS H H 1 8.154 0.020 . 1 . . . . . 48 LYS H . 52565 1 221 . 1 . 1 48 48 LYS C C 13 175.602 0.3 . 1 . . . . . 48 LYS C . 52565 1 222 . 1 . 1 48 48 LYS CA C 13 56.728 0.3 . 1 . . . . . 48 LYS CA . 52565 1 223 . 1 . 1 48 48 LYS CB C 13 28.208 0.3 . 1 . . . . . 48 LYS CB . 52565 1 224 . 1 . 1 48 48 LYS N N 15 113.443 0.3 . 1 . . . . . 48 LYS N . 52565 1 225 . 1 . 1 49 49 ARG H H 1 7.334 0.020 . 1 . . . . . 49 ARG H . 52565 1 226 . 1 . 1 49 49 ARG C C 13 174.762 0.3 . 1 . . . . . 49 ARG C . 52565 1 227 . 1 . 1 49 49 ARG CA C 13 55.307 0.3 . 1 . . . . . 49 ARG CA . 52565 1 228 . 1 . 1 49 49 ARG CB C 13 31.058 0.3 . 1 . . . . . 49 ARG CB . 52565 1 229 . 1 . 1 49 49 ARG N N 15 118.590 0.3 . 1 . . . . . 49 ARG N . 52565 1 230 . 1 . 1 50 50 GLU H H 1 8.417 0.020 . 1 . . . . . 50 GLU H . 52565 1 231 . 1 . 1 50 50 GLU C C 13 174.055 0.3 . 1 . . . . . 50 GLU C . 52565 1 232 . 1 . 1 50 50 GLU CA C 13 55.793 0.3 . 1 . . . . . 50 GLU CA . 52565 1 233 . 1 . 1 50 50 GLU CB C 13 31.452 0.3 . 1 . . . . . 50 GLU CB . 52565 1 234 . 1 . 1 50 50 GLU N N 15 121.178 0.3 . 1 . . . . . 50 GLU N . 52565 1 235 . 1 . 1 51 51 VAL H H 1 9.357 0.020 . 1 . . . . . 51 VAL H . 52565 1 236 . 1 . 1 51 51 VAL C C 13 172.494 0.3 . 1 . . . . . 51 VAL C . 52565 1 237 . 1 . 1 51 51 VAL CA C 13 61.631 0.3 . 1 . . . . . 51 VAL CA . 52565 1 238 . 1 . 1 51 51 VAL CB C 13 35.851 0.3 . 1 . . . . . 51 VAL CB . 52565 1 239 . 1 . 1 51 51 VAL N N 15 123.955 0.3 . 1 . . . . . 51 VAL N . 52565 1 240 . 1 . 1 52 52 CYS H H 1 8.955 0.020 . 1 . . . . . 52 CYS H . 52565 1 241 . 1 . 1 52 52 CYS C C 13 171.517 0.3 . 1 . . . . . 52 CYS C . 52565 1 242 . 1 . 1 52 52 CYS CA C 13 58.797 0.3 . 1 . . . . . 52 CYS CA . 52565 1 243 . 1 . 1 52 52 CYS CB C 13 46.411 0.3 . 1 . . . . . 52 CYS CB . 52565 1 244 . 1 . 1 52 52 CYS N N 15 125.972 0.3 . 1 . . . . . 52 CYS N . 52565 1 245 . 1 . 1 53 53 ALA H H 1 9.933 0.020 . 1 . . . . . 53 ALA H . 52565 1 246 . 1 . 1 53 53 ALA C C 13 170.815 0.3 . 1 . . . . . 53 ALA C . 52565 1 247 . 1 . 1 53 53 ALA CA C 13 51.061 0.3 . 1 . . . . . 53 ALA CA . 52565 1 248 . 1 . 1 53 53 ALA CB C 13 23.956 0.3 . 1 . . . . . 53 ALA CB . 52565 1 249 . 1 . 1 53 53 ALA N N 15 127.097 0.3 . 1 . . . . . 53 ALA N . 52565 1 250 . 1 . 1 54 54 ASP H H 1 8.047 0.020 . 1 . . . . . 54 ASP H . 52565 1 251 . 1 . 1 54 54 ASP C C 13 174.914 0.3 . 1 . . . . . 54 ASP C . 52565 1 252 . 1 . 1 54 54 ASP CA C 13 50.437 0.3 . 1 . . . . . 54 ASP CA . 52565 1 253 . 1 . 1 54 54 ASP CB C 13 42.394 0.3 . 1 . . . . . 54 ASP CB . 52565 1 254 . 1 . 1 54 54 ASP N N 15 121.440 0.3 . 1 . . . . . 54 ASP N . 52565 1 255 . 1 . 1 56 56 LYS H H 1 7.955 0.020 . 1 . . . . . 56 LYS H . 52565 1 256 . 1 . 1 56 56 LYS C C 13 174.992 0.3 . 1 . . . . . 56 LYS C . 52565 1 257 . 1 . 1 56 56 LYS CA C 13 56.929 0.3 . 1 . . . . . 56 LYS CA . 52565 1 258 . 1 . 1 56 56 LYS CB C 13 32.217 0.3 . 1 . . . . . 56 LYS CB . 52565 1 259 . 1 . 1 56 56 LYS N N 15 114.832 0.3 . 1 . . . . . 56 LYS N . 52565 1 260 . 1 . 1 57 57 LYS H H 1 7.213 0.020 . 1 . . . . . 57 LYS H . 52565 1 261 . 1 . 1 57 57 LYS C C 13 174.543 0.3 . 1 . . . . . 57 LYS C . 52565 1 262 . 1 . 1 57 57 LYS CA C 13 54.681 0.3 . 1 . . . . . 57 LYS CA . 52565 1 263 . 1 . 1 57 57 LYS CB C 13 32.715 0.3 . 1 . . . . . 57 LYS CB . 52565 1 264 . 1 . 1 57 57 LYS N N 15 118.660 0.3 . 1 . . . . . 57 LYS N . 52565 1 265 . 1 . 1 58 58 GLU H H 1 8.879 0.020 . 1 . . . . . 58 GLU H . 52565 1 266 . 1 . 1 58 58 GLU C C 13 176.574 0.3 . 1 . . . . . 58 GLU C . 52565 1 267 . 1 . 1 58 58 GLU CA C 13 60.441 0.3 . 1 . . . . . 58 GLU CA . 52565 1 268 . 1 . 1 58 58 GLU CB C 13 28.937 0.3 . 1 . . . . . 58 GLU CB . 52565 1 269 . 1 . 1 58 58 GLU N N 15 124.720 0.3 . 1 . . . . . 58 GLU N . 52565 1 270 . 1 . 1 59 59 TRP H H 1 8.136 0.020 . 1 . . . . . 59 TRP H . 52565 1 271 . 1 . 1 59 59 TRP C C 13 173.528 0.3 . 1 . . . . . 59 TRP C . 52565 1 272 . 1 . 1 59 59 TRP CA C 13 59.615 0.3 . 1 . . . . . 59 TRP CA . 52565 1 273 . 1 . 1 59 59 TRP CB C 13 26.948 0.3 . 1 . . . . . 59 TRP CB . 52565 1 274 . 1 . 1 59 59 TRP N N 15 116.291 0.3 . 1 . . . . . 59 TRP N . 52565 1 275 . 1 . 1 60 60 VAL H H 1 5.482 0.020 . 1 . . . . . 60 VAL H . 52565 1 276 . 1 . 1 60 60 VAL HA H 1 2.670 0.020 . 1 . . . . . 60 VAL HA . 52565 1 277 . 1 . 1 60 60 VAL CA C 13 66.076 0.3 . 1 . . . . . 60 VAL CA . 52565 1 278 . 1 . 1 60 60 VAL CB C 13 31.131 0.3 . 1 . . . . . 60 VAL CB . 52565 1 279 . 1 . 1 60 60 VAL N N 15 121.989 0.3 . 1 . . . . . 60 VAL N . 52565 1 280 . 1 . 1 61 61 GLN H H 1 7.056 0.020 . 1 . . . . . 61 GLN H . 52565 1 281 . 1 . 1 61 61 GLN C C 13 176.691 0.3 . 1 . . . . . 61 GLN C . 52565 1 282 . 1 . 1 61 61 GLN CA C 13 58.882 0.3 . 1 . . . . . 61 GLN CA . 52565 1 283 . 1 . 1 61 61 GLN CB C 13 27.677 0.3 . 1 . . . . . 61 GLN CB . 52565 1 284 . 1 . 1 61 61 GLN N N 15 116.394 0.3 . 1 . . . . . 61 GLN N . 52565 1 285 . 1 . 1 62 62 THR H H 1 8.538 0.020 . 1 . . . . . 62 THR H . 52565 1 286 . 1 . 1 62 62 THR C C 13 176.750 0.3 . 1 . . . . . 62 THR C . 52565 1 287 . 1 . 1 62 62 THR CA C 13 66.874 0.3 . 1 . . . . . 62 THR CA . 52565 1 288 . 1 . 1 62 62 THR CB C 13 68.871 0.3 . 1 . . . . . 62 THR CB . 52565 1 289 . 1 . 1 62 62 THR N N 15 118.167 0.3 . 1 . . . . . 62 THR N . 52565 1 290 . 1 . 1 63 63 TYR H H 1 8.672 0.020 . 1 . . . . . 63 TYR H . 52565 1 291 . 1 . 1 63 63 TYR CA C 13 60.065 0.3 . 1 . . . . . 63 TYR CA . 52565 1 292 . 1 . 1 63 63 TYR CB C 13 37.453 0.3 . 1 . . . . . 63 TYR CB . 52565 1 293 . 1 . 1 63 63 TYR N N 15 123.971 0.3 . 1 . . . . . 63 TYR N . 52565 1 294 . 1 . 1 64 64 ILE H H 1 8.050 0.020 . 1 . . . . . 64 ILE H . 52565 1 295 . 1 . 1 64 64 ILE C C 13 172.416 0.3 . 1 . . . . . 64 ILE C . 52565 1 296 . 1 . 1 64 64 ILE CA C 13 66.468 0.3 . 1 . . . . . 64 ILE CA . 52565 1 297 . 1 . 1 64 64 ILE CB C 13 37.829 0.3 . 1 . . . . . 64 ILE CB . 52565 1 298 . 1 . 1 64 64 ILE N N 15 119.036 0.3 . 1 . . . . . 64 ILE N . 52565 1 299 . 1 . 1 65 65 LYS H H 1 7.321 0.020 . 1 . . . . . 65 LYS H . 52565 1 300 . 1 . 1 65 65 LYS C C 13 175.169 0.3 . 1 . . . . . 65 LYS C . 52565 1 301 . 1 . 1 65 65 LYS CA C 13 59.687 0.3 . 1 . . . . . 65 LYS CA . 52565 1 302 . 1 . 1 65 65 LYS CB C 13 32.207 0.3 . 1 . . . . . 65 LYS CB . 52565 1 303 . 1 . 1 65 65 LYS N N 15 117.499 0.3 . 1 . . . . . 65 LYS N . 52565 1 304 . 1 . 1 66 66 ASN H H 1 7.987 0.020 . 1 . . . . . 66 ASN H . 52565 1 305 . 1 . 1 66 66 ASN CA C 13 56.190 0.3 . 1 . . . . . 66 ASN CA . 52565 1 306 . 1 . 1 66 66 ASN CB C 13 38.947 0.3 . 1 . . . . . 66 ASN CB . 52565 1 307 . 1 . 1 66 66 ASN N N 15 117.193 0.3 . 1 . . . . . 66 ASN N . 52565 1 308 . 1 . 1 67 67 LEU H H 1 8.610 0.020 . 1 . . . . . 67 LEU H . 52565 1 309 . 1 . 1 67 67 LEU C C 13 176.886 0.3 . 1 . . . . . 67 LEU C . 52565 1 310 . 1 . 1 67 67 LEU CA C 13 58.167 0.3 . 1 . . . . . 67 LEU CA . 52565 1 311 . 1 . 1 67 67 LEU CB C 13 41.864 0.3 . 1 . . . . . 67 LEU CB . 52565 1 312 . 1 . 1 67 67 LEU N N 15 122.200 0.3 . 1 . . . . . 67 LEU N . 52565 1 313 . 1 . 1 68 68 ASP H H 1 8.625 0.020 . 1 . . . . . 68 ASP H . 52565 1 314 . 1 . 1 68 68 ASP C C 13 171.459 0.3 . 1 . . . . . 68 ASP C . 52565 1 315 . 1 . 1 68 68 ASP CA C 13 56.934 0.3 . 1 . . . . . 68 ASP CA . 52565 1 316 . 1 . 1 68 68 ASP CB C 13 40.683 0.3 . 1 . . . . . 68 ASP CB . 52565 1 317 . 1 . 1 68 68 ASP N N 15 120.085 0.3 . 1 . . . . . 68 ASP N . 52565 1 318 . 1 . 1 69 69 ARG H H 1 7.669 0.020 . 1 . . . . . 69 ARG H . 52565 1 319 . 1 . 1 69 69 ARG CA C 13 58.439 0.3 . 1 . . . . . 69 ARG CA . 52565 1 320 . 1 . 1 69 69 ARG CB C 13 30.204 0.3 . 1 . . . . . 69 ARG CB . 52565 1 321 . 1 . 1 69 69 ARG N N 15 119.303 0.3 . 1 . . . . . 69 ARG N . 52565 1 322 . 1 . 1 70 70 ASN H H 1 7.941 0.020 . 1 . . . . . 70 ASN H . 52565 1 323 . 1 . 1 70 70 ASN CA C 13 54.281 0.3 . 1 . . . . . 70 ASN CA . 52565 1 324 . 1 . 1 70 70 ASN CB C 13 38.881 0.3 . 1 . . . . . 70 ASN CB . 52565 1 325 . 1 . 1 70 70 ASN N N 15 117.365 0.3 . 1 . . . . . 70 ASN N . 52565 1 326 . 1 . 1 71 71 GLN H H 1 7.960 0.020 . 1 . . . . . 71 GLN H . 52565 1 327 . 1 . 1 71 71 GLN C C 13 175.762 0.3 . 1 . . . . . 71 GLN C . 52565 1 328 . 1 . 1 71 71 GLN CA C 13 56.777 0.3 . 1 . . . . . 71 GLN CA . 52565 1 329 . 1 . 1 71 71 GLN CB C 13 29.296 0.3 . 1 . . . . . 71 GLN CB . 52565 1 330 . 1 . 1 71 71 GLN N N 15 118.645 0.3 . 1 . . . . . 71 GLN N . 52565 1 331 . 1 . 1 72 72 MET H H 1 8.074 0.020 . 1 . . . . . 72 MET H . 52565 1 332 . 1 . 1 72 72 MET C C 13 175.548 0.3 . 1 . . . . . 72 MET C . 52565 1 333 . 1 . 1 72 72 MET CA C 13 56.182 0.3 . 1 . . . . . 72 MET CA . 52565 1 334 . 1 . 1 72 72 MET CB C 13 32.726 0.3 . 1 . . . . . 72 MET CB . 52565 1 335 . 1 . 1 72 72 MET N N 15 119.662 0.3 . 1 . . . . . 72 MET N . 52565 1 336 . 1 . 1 73 73 ARG H H 1 8.105 0.020 . 1 . . . . . 73 ARG H . 52565 1 337 . 1 . 1 73 73 ARG C C 13 173.314 0.3 . 1 . . . . . 73 ARG C . 52565 1 338 . 1 . 1 73 73 ARG CA C 13 56.162 0.3 . 1 . . . . . 73 ARG CA . 52565 1 339 . 1 . 1 73 73 ARG CB C 13 31.131 0.3 . 1 . . . . . 73 ARG CB . 52565 1 340 . 1 . 1 73 73 ARG N N 15 121.456 0.3 . 1 . . . . . 73 ARG N . 52565 1 341 . 1 . 1 74 74 SER H H 1 8.300 0.020 . 1 . . . . . 74 SER H . 52565 1 342 . 1 . 1 74 74 SER C C 13 173.314 0.3 . 1 . . . . . 74 SER C . 52565 1 343 . 1 . 1 74 74 SER CA C 13 58.457 0.3 . 1 . . . . . 74 SER CA . 52565 1 344 . 1 . 1 74 74 SER CB C 13 64.270 0.3 . 1 . . . . . 74 SER CB . 52565 1 345 . 1 . 1 74 74 SER N N 15 117.306 0.3 . 1 . . . . . 74 SER N . 52565 1 346 . 1 . 1 75 75 GLU H H 1 8.182 0.020 . 1 . . . . . 75 GLU H . 52565 1 347 . 1 . 1 75 75 GLU C C 13 170.795 0.3 . 1 . . . . . 75 GLU C . 52565 1 348 . 1 . 1 75 75 GLU CA C 13 54.433 0.3 . 1 . . . . . 75 GLU CA . 52565 1 349 . 1 . 1 75 75 GLU CB C 13 29.799 0.3 . 1 . . . . . 75 GLU CB . 52565 1 350 . 1 . 1 75 75 GLU N N 15 123.628 0.3 . 1 . . . . . 75 GLU N . 52565 1 stop_ save_