data_10002 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10002 _Entry.Title ; F-spondin TSR 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-11 _Entry.Accession_date 2005-08-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kimmo Paakkonen . . . 10002 2 Helena Tossavainen . . . 10002 3 Perttu Permi . . . 10002 4 Harri Rakkolainen . . . 10002 5 Heikki Rauvala . . . 10002 6 Erkki Raulo . . . 10002 7 Ilkka Kilpelainen . . . 10002 8 Peter Guntert . . . 10002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 10002 '15N chemical shifts' 58 10002 '1H chemical shifts' 375 10002 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 . . 2007-11-14 2005-08-11 update BMRB 'complete entry citation' 10002 1 . . 2006-06-28 2005-08-11 original author 'original release' 10002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1VEX 'BMRB Entry Tracking System' 10002 stop_ save_ ############### # Citations # ############### save_TSR_article _Citation.Sf_category citations _Citation.Sf_framecode TSR_article _Citation.Entry_ID 10002 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16736493 _Citation.Full_citation . _Citation.Title 'Solution structures of the first and fourth TSR domains of F-spondin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 64 _Citation.Journal_issue 3 _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 665 _Citation.Page_last 672 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kimmo Paakkonen . . . 10002 1 2 Helena Tossavainen . . . 10002 1 3 Perttu Permi . . . 10002 1 4 Harri Rakkolainen . . . 10002 1 5 Heikki Rauvala . . . 10002 1 6 Erkki Raulo . . . 10002 1 7 Ilkka Kilpelainen . . . 10002 1 8 Peter Guntert . . . 10002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10002 _Assembly.ID 1 _Assembly.Name 'F-spondin TSR4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10002 1 stop_ 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 'F-spondin TSR 4' 1 $F-spondin_TSR4 . . yes native no no . . . 10002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F-spondin_TSR4 _Entity.Sf_category entity _Entity.Sf_framecode F-spondin_TSR4 _Entity.Entry_ID 10002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F-spondin TSR 4' _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 ; GSIPCLLSPWSEWSDCSVTC GKGMRTRQRMLKSLAELGDC NEDLEQAEKCMLPECP ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VEX . "F-Spondin Tsr Domain 4" . . . . . 100.00 56 100.00 100.00 5.12e-31 . . . . 10002 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10002 1 2 . SER . 10002 1 3 . ILE . 10002 1 4 . PRO . 10002 1 5 . CYS . 10002 1 6 . LEU . 10002 1 7 . LEU . 10002 1 8 . SER . 10002 1 9 . PRO . 10002 1 10 . TRP . 10002 1 11 . SER . 10002 1 12 . GLU . 10002 1 13 . TRP . 10002 1 14 . SER . 10002 1 15 . ASP . 10002 1 16 . CYS . 10002 1 17 . SER . 10002 1 18 . VAL . 10002 1 19 . THR . 10002 1 20 . CYS . 10002 1 21 . GLY . 10002 1 22 . LYS . 10002 1 23 . GLY . 10002 1 24 . MET . 10002 1 25 . ARG . 10002 1 26 . THR . 10002 1 27 . ARG . 10002 1 28 . GLN . 10002 1 29 . ARG . 10002 1 30 . MET . 10002 1 31 . LEU . 10002 1 32 . LYS . 10002 1 33 . SER . 10002 1 34 . LEU . 10002 1 35 . ALA . 10002 1 36 . GLU . 10002 1 37 . LEU . 10002 1 38 . GLY . 10002 1 39 . ASP . 10002 1 40 . CYS . 10002 1 41 . ASN . 10002 1 42 . GLU . 10002 1 43 . ASP . 10002 1 44 . LEU . 10002 1 45 . GLU . 10002 1 46 . GLN . 10002 1 47 . ALA . 10002 1 48 . GLU . 10002 1 49 . LYS . 10002 1 50 . CYS . 10002 1 51 . MET . 10002 1 52 . LEU . 10002 1 53 . PRO . 10002 1 54 . GLU . 10002 1 55 . CYS . 10002 1 56 . PRO . 10002 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10002 1 . SER 2 2 10002 1 . ILE 3 3 10002 1 . PRO 4 4 10002 1 . CYS 5 5 10002 1 . LEU 6 6 10002 1 . LEU 7 7 10002 1 . SER 8 8 10002 1 . PRO 9 9 10002 1 . TRP 10 10 10002 1 . SER 11 11 10002 1 . GLU 12 12 10002 1 . TRP 13 13 10002 1 . SER 14 14 10002 1 . ASP 15 15 10002 1 . CYS 16 16 10002 1 . SER 17 17 10002 1 . VAL 18 18 10002 1 . THR 19 19 10002 1 . CYS 20 20 10002 1 . GLY 21 21 10002 1 . LYS 22 22 10002 1 . GLY 23 23 10002 1 . MET 24 24 10002 1 . ARG 25 25 10002 1 . THR 26 26 10002 1 . ARG 27 27 10002 1 . GLN 28 28 10002 1 . ARG 29 29 10002 1 . MET 30 30 10002 1 . LEU 31 31 10002 1 . LYS 32 32 10002 1 . SER 33 33 10002 1 . LEU 34 34 10002 1 . ALA 35 35 10002 1 . GLU 36 36 10002 1 . LEU 37 37 10002 1 . GLY 38 38 10002 1 . ASP 39 39 10002 1 . CYS 40 40 10002 1 . ASN 41 41 10002 1 . GLU 42 42 10002 1 . ASP 43 43 10002 1 . LEU 44 44 10002 1 . GLU 45 45 10002 1 . GLN 46 46 10002 1 . ALA 47 47 10002 1 . GLU 48 48 10002 1 . LYS 49 49 10002 1 . CYS 50 50 10002 1 . MET 51 51 10002 1 . LEU 52 52 10002 1 . PRO 53 53 10002 1 . GLU 54 54 10002 1 . CYS 55 55 10002 1 . PRO 56 56 10002 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10002 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $F-spondin_TSR4 . 10116 . no . Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 10002 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10002 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $F-spondin_TSR4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10002 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10002 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'F-spondin TSR 4' . . . 1 $F-spondin_TSR4 . . . . . mM . . . . 10002 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10002 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 10002 1 temperature 283 0.1 K 10002 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_(example) _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_(example) _NMR_spectrometer.Entry_ID 10002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10002 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 10002 1 stop_ save_ save_1H15N_HSQC_(example) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC_(example) _NMR_spec_expt.Entry_ID 10002 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10002 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.9 internal indirect . . . . . . . . . . 10002 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_F-spondin_TSR4_assigned _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode F-spondin_TSR4_assigned _Assigned_chem_shift_list.Entry_ID 10002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 $sample_1 isotropic 10002 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.490 0.020 . 1 . . . . 2 SER HA . 10002 1 2 . 1 1 2 2 SER HB2 H 1 3.813 0.020 . 1 . . . . 2 SER HB2 . 10002 1 3 . 1 1 2 2 SER HB3 H 1 3.813 0.020 . 1 . . . . 2 SER HB3 . 10002 1 4 . 1 1 2 2 SER C C 13 174.246 0.400 . 1 . . . . 2 SER C . 10002 1 5 . 1 1 2 2 SER CA C 13 58.833 0.400 . 1 . . . . 2 SER CA . 10002 1 6 . 1 1 2 2 SER CB C 13 64.269 0.400 . 1 . . . . 2 SER CB . 10002 1 7 . 1 1 3 3 ILE H H 1 8.299 0.020 . 1 . . . . 3 ILE H . 10002 1 8 . 1 1 3 3 ILE HA H 1 4.477 0.020 . 1 . . . . 3 ILE HA . 10002 1 9 . 1 1 3 3 ILE HB H 1 1.813 0.020 . 1 . . . . 3 ILE HB . 10002 1 10 . 1 1 3 3 ILE HG12 H 1 1.479 0.020 . 2 . . . . 3 ILE HG12 . 10002 1 11 . 1 1 3 3 ILE HG13 H 1 1.122 0.020 . 2 . . . . 3 ILE HG13 . 10002 1 12 . 1 1 3 3 ILE HG21 H 1 0.907 0.020 . 1 . . . . 3 ILE HG2 . 10002 1 13 . 1 1 3 3 ILE HG22 H 1 0.907 0.020 . 1 . . . . 3 ILE HG2 . 10002 1 14 . 1 1 3 3 ILE HG23 H 1 0.907 0.020 . 1 . . . . 3 ILE HG2 . 10002 1 15 . 1 1 3 3 ILE HD11 H 1 0.811 0.020 . 1 . . . . 3 ILE HD1 . 10002 1 16 . 1 1 3 3 ILE HD12 H 1 0.811 0.020 . 1 . . . . 3 ILE HD1 . 10002 1 17 . 1 1 3 3 ILE HD13 H 1 0.811 0.020 . 1 . . . . 3 ILE HD1 . 10002 1 18 . 1 1 3 3 ILE CA C 13 59.028 0.400 . 1 . . . . 3 ILE CA . 10002 1 19 . 1 1 3 3 ILE CB C 13 39.158 0.400 . 1 . . . . 3 ILE CB . 10002 1 20 . 1 1 3 3 ILE CG1 C 13 27.277 0.400 . 1 . . . . 3 ILE CG1 . 10002 1 21 . 1 1 3 3 ILE CG2 C 13 17.516 0.400 . 1 . . . . 3 ILE CG2 . 10002 1 22 . 1 1 3 3 ILE CD1 C 13 13.076 0.400 . 1 . . . . 3 ILE CD1 . 10002 1 23 . 1 1 3 3 ILE N N 15 124.749 0.400 . 1 . . . . 3 ILE N . 10002 1 24 . 1 1 4 4 PRO HA H 1 4.403 0.020 . 1 . . . . 4 PRO HA . 10002 1 25 . 1 1 4 4 PRO HB2 H 1 2.227 0.020 . 2 . . . . 4 PRO HB2 . 10002 1 26 . 1 1 4 4 PRO HB3 H 1 1.820 0.020 . 2 . . . . 4 PRO HB3 . 10002 1 27 . 1 1 4 4 PRO HG2 H 1 1.954 0.020 . 1 . . . . 4 PRO HG2 . 10002 1 28 . 1 1 4 4 PRO HG3 H 1 1.954 0.020 . 1 . . . . 4 PRO HG3 . 10002 1 29 . 1 1 4 4 PRO HD2 H 1 3.845 0.020 . 2 . . . . 4 PRO HD2 . 10002 1 30 . 1 1 4 4 PRO HD3 H 1 3.692 0.020 . 2 . . . . 4 PRO HD3 . 10002 1 31 . 1 1 4 4 PRO C C 13 176.587 0.400 . 1 . . . . 4 PRO C . 10002 1 32 . 1 1 4 4 PRO CA C 13 63.378 0.400 . 1 . . . . 4 PRO CA . 10002 1 33 . 1 1 4 4 PRO CB C 13 32.546 0.400 . 1 . . . . 4 PRO CB . 10002 1 34 . 1 1 4 4 PRO CG C 13 27.572 0.400 . 1 . . . . 4 PRO CG . 10002 1 35 . 1 1 4 4 PRO CD C 13 51.349 0.400 . 1 . . . . 4 PRO CD . 10002 1 36 . 1 1 5 5 CYS H H 1 8.585 0.020 . 1 . . . . 5 CYS H . 10002 1 37 . 1 1 5 5 CYS HA H 1 4.357 0.020 . 1 . . . . 5 CYS HA . 10002 1 38 . 1 1 5 5 CYS HB2 H 1 2.954 0.020 . 1 . . . . 5 CYS HB2 . 10002 1 39 . 1 1 5 5 CYS HB3 H 1 2.954 0.020 . 1 . . . . 5 CYS HB3 . 10002 1 40 . 1 1 5 5 CYS C C 13 173.588 0.400 . 1 . . . . 5 CYS C . 10002 1 41 . 1 1 5 5 CYS CA C 13 56.117 0.400 . 1 . . . . 5 CYS CA . 10002 1 42 . 1 1 5 5 CYS CB C 13 41.840 0.400 . 1 . . . . 5 CYS CB . 10002 1 43 . 1 1 5 5 CYS N N 15 119.787 0.400 . 1 . . . . 5 CYS N . 10002 1 44 . 1 1 6 6 LEU H H 1 8.188 0.020 . 1 . . . . 6 LEU H . 10002 1 45 . 1 1 6 6 LEU HA H 1 4.377 0.020 . 1 . . . . 6 LEU HA . 10002 1 46 . 1 1 6 6 LEU HB2 H 1 1.507 0.020 . 2 . . . . 6 LEU HB2 . 10002 1 47 . 1 1 6 6 LEU HB3 H 1 1.426 0.020 . 2 . . . . 6 LEU HB3 . 10002 1 48 . 1 1 6 6 LEU HG H 1 1.434 0.020 . 1 . . . . 6 LEU HG . 10002 1 49 . 1 1 6 6 LEU HD11 H 1 0.839 0.020 . 2 . . . . 6 LEU HD1 . 10002 1 50 . 1 1 6 6 LEU HD12 H 1 0.839 0.020 . 2 . . . . 6 LEU HD1 . 10002 1 51 . 1 1 6 6 LEU HD13 H 1 0.839 0.020 . 2 . . . . 6 LEU HD1 . 10002 1 52 . 1 1 6 6 LEU HD21 H 1 0.775 0.020 . 2 . . . . 6 LEU HD2 . 10002 1 53 . 1 1 6 6 LEU HD22 H 1 0.775 0.020 . 2 . . . . 6 LEU HD2 . 10002 1 54 . 1 1 6 6 LEU HD23 H 1 0.775 0.020 . 2 . . . . 6 LEU HD2 . 10002 1 55 . 1 1 6 6 LEU C C 13 175.516 0.400 . 1 . . . . 6 LEU C . 10002 1 56 . 1 1 6 6 LEU CA C 13 54.966 0.400 . 1 . . . . 6 LEU CA . 10002 1 57 . 1 1 6 6 LEU CB C 13 42.843 0.400 . 1 . . . . 6 LEU CB . 10002 1 58 . 1 1 6 6 LEU CG C 13 27.214 0.400 . 1 . . . . 6 LEU CG . 10002 1 59 . 1 1 6 6 LEU CD1 C 13 25.081 0.400 . 1 . . . . 6 LEU CD1 . 10002 1 60 . 1 1 6 6 LEU CD2 C 13 24.093 0.400 . 1 . . . . 6 LEU CD2 . 10002 1 61 . 1 1 6 6 LEU N N 15 124.931 0.400 . 1 . . . . 6 LEU N . 10002 1 62 . 1 1 7 7 LEU H H 1 8.450 0.020 . 1 . . . . 7 LEU H . 10002 1 63 . 1 1 7 7 LEU HA H 1 4.898 0.020 . 1 . . . . 7 LEU HA . 10002 1 64 . 1 1 7 7 LEU HB2 H 1 1.399 0.020 . 2 . . . . 7 LEU HB2 . 10002 1 65 . 1 1 7 7 LEU HB3 H 1 1.155 0.020 . 2 . . . . 7 LEU HB3 . 10002 1 66 . 1 1 7 7 LEU HG H 1 1.375 0.020 . 1 . . . . 7 LEU HG . 10002 1 67 . 1 1 7 7 LEU HD11 H 1 0.544 0.020 . 2 . . . . 7 LEU HD1 . 10002 1 68 . 1 1 7 7 LEU HD12 H 1 0.544 0.020 . 2 . . . . 7 LEU HD1 . 10002 1 69 . 1 1 7 7 LEU HD13 H 1 0.544 0.020 . 2 . . . . 7 LEU HD1 . 10002 1 70 . 1 1 7 7 LEU HD21 H 1 0.498 0.020 . 2 . . . . 7 LEU HD2 . 10002 1 71 . 1 1 7 7 LEU HD22 H 1 0.498 0.020 . 2 . . . . 7 LEU HD2 . 10002 1 72 . 1 1 7 7 LEU HD23 H 1 0.498 0.020 . 2 . . . . 7 LEU HD2 . 10002 1 73 . 1 1 7 7 LEU C C 13 177.083 0.400 . 1 . . . . 7 LEU C . 10002 1 74 . 1 1 7 7 LEU CA C 13 53.781 0.400 . 1 . . . . 7 LEU CA . 10002 1 75 . 1 1 7 7 LEU CB C 13 45.200 0.400 . 1 . . . . 7 LEU CB . 10002 1 76 . 1 1 7 7 LEU CG C 13 27.232 0.400 . 1 . . . . 7 LEU CG . 10002 1 77 . 1 1 7 7 LEU CD1 C 13 25.527 0.400 . 1 . . . . 7 LEU CD1 . 10002 1 78 . 1 1 7 7 LEU CD2 C 13 25.060 0.400 . 1 . . . . 7 LEU CD2 . 10002 1 79 . 1 1 7 7 LEU N N 15 125.589 0.400 . 1 . . . . 7 LEU N . 10002 1 80 . 1 1 8 8 SER H H 1 8.756 0.020 . 1 . . . . 8 SER H . 10002 1 81 . 1 1 8 8 SER HA H 1 4.477 0.020 . 1 . . . . 8 SER HA . 10002 1 82 . 1 1 8 8 SER HB2 H 1 4.241 0.020 . 2 . . . . 8 SER HB2 . 10002 1 83 . 1 1 8 8 SER HB3 H 1 3.649 0.020 . 2 . . . . 8 SER HB3 . 10002 1 84 . 1 1 8 8 SER CA C 13 57.620 0.400 . 1 . . . . 8 SER CA . 10002 1 85 . 1 1 8 8 SER CB C 13 63.155 0.400 . 1 . . . . 8 SER CB . 10002 1 86 . 1 1 8 8 SER N N 15 119.232 0.400 . 1 . . . . 8 SER N . 10002 1 87 . 1 1 9 9 PRO HA H 1 4.303 0.020 . 1 . . . . 9 PRO HA . 10002 1 88 . 1 1 9 9 PRO HB2 H 1 2.339 0.020 . 2 . . . . 9 PRO HB2 . 10002 1 89 . 1 1 9 9 PRO HB3 H 1 1.694 0.020 . 2 . . . . 9 PRO HB3 . 10002 1 90 . 1 1 9 9 PRO HG2 H 1 1.931 0.020 . 1 . . . . 9 PRO HG2 . 10002 1 91 . 1 1 9 9 PRO HG3 H 1 1.931 0.020 . 1 . . . . 9 PRO HG3 . 10002 1 92 . 1 1 9 9 PRO HD2 H 1 3.744 0.020 . 2 . . . . 9 PRO HD2 . 10002 1 93 . 1 1 9 9 PRO HD3 H 1 3.530 0.020 . 2 . . . . 9 PRO HD3 . 10002 1 94 . 1 1 9 9 PRO C C 13 177.183 0.400 . 1 . . . . 9 PRO C . 10002 1 95 . 1 1 9 9 PRO CA C 13 62.812 0.400 . 1 . . . . 9 PRO CA . 10002 1 96 . 1 1 9 9 PRO CB C 13 32.465 0.400 . 1 . . . . 9 PRO CB . 10002 1 97 . 1 1 9 9 PRO CG C 13 28.189 0.400 . 1 . . . . 9 PRO CG . 10002 1 98 . 1 1 9 9 PRO CD C 13 50.747 0.400 . 1 . . . . 9 PRO CD . 10002 1 99 . 1 1 10 10 TRP H H 1 8.147 0.020 . 1 . . . . 10 TRP H . 10002 1 100 . 1 1 10 10 TRP HA H 1 4.300 0.020 . 1 . . . . 10 TRP HA . 10002 1 101 . 1 1 10 10 TRP HB2 H 1 2.698 0.020 . 2 . . . . 10 TRP HB2 . 10002 1 102 . 1 1 10 10 TRP HB3 H 1 3.023 0.020 . 2 . . . . 10 TRP HB3 . 10002 1 103 . 1 1 10 10 TRP HD1 H 1 7.147 0.020 . 1 . . . . 10 TRP HD1 . 10002 1 104 . 1 1 10 10 TRP HE1 H 1 10.063 0.020 . 1 . . . . 10 TRP HE1 . 10002 1 105 . 1 1 10 10 TRP HE3 H 1 6.799 0.020 . 1 . . . . 10 TRP HE3 . 10002 1 106 . 1 1 10 10 TRP HZ2 H 1 7.243 0.020 . 1 . . . . 10 TRP HZ2 . 10002 1 107 . 1 1 10 10 TRP HZ3 H 1 6.510 0.020 . 1 . . . . 10 TRP HZ3 . 10002 1 108 . 1 1 10 10 TRP HH2 H 1 6.470 0.020 . 1 . . . . 10 TRP HH2 . 10002 1 109 . 1 1 10 10 TRP C C 13 178.092 0.400 . 1 . . . . 10 TRP C . 10002 1 110 . 1 1 10 10 TRP CA C 13 58.268 0.400 . 1 . . . . 10 TRP CA . 10002 1 111 . 1 1 10 10 TRP CB C 13 31.410 0.400 . 1 . . . . 10 TRP CB . 10002 1 112 . 1 1 10 10 TRP CD1 C 13 128.046 0.400 . 1 . . . . 10 TRP CD1 . 10002 1 113 . 1 1 10 10 TRP CE3 C 13 118.836 0.400 . 1 . . . . 10 TRP CE3 . 10002 1 114 . 1 1 10 10 TRP CZ2 C 13 114.733 0.400 . 1 . . . . 10 TRP CZ2 . 10002 1 115 . 1 1 10 10 TRP CZ3 C 13 121.372 0.400 . 1 . . . . 10 TRP CZ3 . 10002 1 116 . 1 1 10 10 TRP CH2 C 13 123.537 0.400 . 1 . . . . 10 TRP CH2 . 10002 1 117 . 1 1 10 10 TRP N N 15 121.957 0.400 . 1 . . . . 10 TRP N . 10002 1 118 . 1 1 10 10 TRP NE1 N 15 130.177 0.400 . 1 . . . . 10 TRP NE1 . 10002 1 119 . 1 1 11 11 SER H H 1 9.129 0.020 . 1 . . . . 11 SER H . 10002 1 120 . 1 1 11 11 SER HA H 1 4.384 0.020 . 1 . . . . 11 SER HA . 10002 1 121 . 1 1 11 11 SER HB2 H 1 4.109 0.020 . 1 . . . . 11 SER HB2 . 10002 1 122 . 1 1 11 11 SER HB3 H 1 4.109 0.020 . 1 . . . . 11 SER HB3 . 10002 1 123 . 1 1 11 11 SER C C 13 173.926 0.400 . 1 . . . . 11 SER C . 10002 1 124 . 1 1 11 11 SER CA C 13 58.548 0.400 . 1 . . . . 11 SER CA . 10002 1 125 . 1 1 11 11 SER CB C 13 66.050 0.400 . 1 . . . . 11 SER CB . 10002 1 126 . 1 1 11 11 SER N N 15 118.559 0.400 . 1 . . . . 11 SER N . 10002 1 127 . 1 1 12 12 GLU H H 1 8.572 0.020 . 1 . . . . 12 GLU H . 10002 1 128 . 1 1 12 12 GLU HA H 1 4.127 0.020 . 1 . . . . 12 GLU HA . 10002 1 129 . 1 1 12 12 GLU HB2 H 1 2.139 0.020 . 2 . . . . 12 GLU HB2 . 10002 1 130 . 1 1 12 12 GLU HB3 H 1 1.877 0.020 . 2 . . . . 12 GLU HB3 . 10002 1 131 . 1 1 12 12 GLU HG2 H 1 2.510 0.020 . 2 . . . . 12 GLU HG2 . 10002 1 132 . 1 1 12 12 GLU HG3 H 1 2.355 0.020 . 2 . . . . 12 GLU HG3 . 10002 1 133 . 1 1 12 12 GLU C C 13 178.094 0.400 . 1 . . . . 12 GLU C . 10002 1 134 . 1 1 12 12 GLU CA C 13 56.758 0.400 . 1 . . . . 12 GLU CA . 10002 1 135 . 1 1 12 12 GLU CB C 13 30.160 0.400 . 1 . . . . 12 GLU CB . 10002 1 136 . 1 1 12 12 GLU CG C 13 36.441 0.400 . 1 . . . . 12 GLU CG . 10002 1 137 . 1 1 12 12 GLU N N 15 118.462 0.400 . 1 . . . . 12 GLU N . 10002 1 138 . 1 1 13 13 TRP H H 1 8.691 0.020 . 1 . . . . 13 TRP H . 10002 1 139 . 1 1 13 13 TRP HA H 1 4.522 0.020 . 1 . . . . 13 TRP HA . 10002 1 140 . 1 1 13 13 TRP HB2 H 1 2.956 0.020 . 2 . . . . 13 TRP HB2 . 10002 1 141 . 1 1 13 13 TRP HB3 H 1 3.150 0.020 . 2 . . . . 13 TRP HB3 . 10002 1 142 . 1 1 13 13 TRP HD1 H 1 7.245 0.020 . 1 . . . . 13 TRP HD1 . 10002 1 143 . 1 1 13 13 TRP HE1 H 1 9.963 0.020 . 1 . . . . 13 TRP HE1 . 10002 1 144 . 1 1 13 13 TRP HE3 H 1 7.043 0.020 . 1 . . . . 13 TRP HE3 . 10002 1 145 . 1 1 13 13 TRP HZ2 H 1 6.980 0.020 . 1 . . . . 13 TRP HZ2 . 10002 1 146 . 1 1 13 13 TRP HZ3 H 1 6.748 0.020 . 1 . . . . 13 TRP HZ3 . 10002 1 147 . 1 1 13 13 TRP HH2 H 1 6.549 0.020 . 1 . . . . 13 TRP HH2 . 10002 1 148 . 1 1 13 13 TRP C C 13 178.137 0.400 . 1 . . . . 13 TRP C . 10002 1 149 . 1 1 13 13 TRP CA C 13 58.573 0.400 . 1 . . . . 13 TRP CA . 10002 1 150 . 1 1 13 13 TRP CB C 13 30.983 0.400 . 1 . . . . 13 TRP CB . 10002 1 151 . 1 1 13 13 TRP CD1 C 13 128.035 0.400 . 1 . . . . 13 TRP CD1 . 10002 1 152 . 1 1 13 13 TRP CE3 C 13 119.146 0.400 . 1 . . . . 13 TRP CE3 . 10002 1 153 . 1 1 13 13 TRP CZ2 C 13 114.952 0.400 . 1 . . . . 13 TRP CZ2 . 10002 1 154 . 1 1 13 13 TRP CZ3 C 13 122.268 0.400 . 1 . . . . 13 TRP CZ3 . 10002 1 155 . 1 1 13 13 TRP CH2 C 13 123.647 0.400 . 1 . . . . 13 TRP CH2 . 10002 1 156 . 1 1 13 13 TRP N N 15 124.802 0.400 . 1 . . . . 13 TRP N . 10002 1 157 . 1 1 13 13 TRP NE1 N 15 130.007 0.400 . 1 . . . . 13 TRP NE1 . 10002 1 158 . 1 1 14 14 SER H H 1 9.762 0.020 . 1 . . . . 14 SER H . 10002 1 159 . 1 1 14 14 SER HA H 1 4.457 0.020 . 1 . . . . 14 SER HA . 10002 1 160 . 1 1 14 14 SER HB2 H 1 4.164 0.020 . 1 . . . . 14 SER HB2 . 10002 1 161 . 1 1 14 14 SER HB3 H 1 4.164 0.020 . 1 . . . . 14 SER HB3 . 10002 1 162 . 1 1 14 14 SER C C 13 173.882 0.400 . 1 . . . . 14 SER C . 10002 1 163 . 1 1 14 14 SER CA C 13 58.745 0.400 . 1 . . . . 14 SER CA . 10002 1 164 . 1 1 14 14 SER CB C 13 66.388 0.400 . 1 . . . . 14 SER CB . 10002 1 165 . 1 1 14 14 SER N N 15 119.691 0.400 . 1 . . . . 14 SER N . 10002 1 166 . 1 1 15 15 ASP H H 1 8.648 0.020 . 1 . . . . 15 ASP H . 10002 1 167 . 1 1 15 15 ASP HA H 1 4.592 0.020 . 1 . . . . 15 ASP HA . 10002 1 168 . 1 1 15 15 ASP HB2 H 1 2.765 0.020 . 2 . . . . 15 ASP HB2 . 10002 1 169 . 1 1 15 15 ASP HB3 H 1 2.490 0.020 . 2 . . . . 15 ASP HB3 . 10002 1 170 . 1 1 15 15 ASP C C 13 177.860 0.400 . 1 . . . . 15 ASP C . 10002 1 171 . 1 1 15 15 ASP CA C 13 55.224 0.400 . 1 . . . . 15 ASP CA . 10002 1 172 . 1 1 15 15 ASP CB C 13 41.145 0.400 . 1 . . . . 15 ASP CB . 10002 1 173 . 1 1 15 15 ASP N N 15 118.702 0.400 . 1 . . . . 15 ASP N . 10002 1 174 . 1 1 16 16 CYS H H 1 9.118 0.020 . 1 . . . . 16 CYS H . 10002 1 175 . 1 1 16 16 CYS HA H 1 4.439 0.020 . 1 . . . . 16 CYS HA . 10002 1 176 . 1 1 16 16 CYS HB2 H 1 3.242 0.020 . 2 . . . . 16 CYS HB2 . 10002 1 177 . 1 1 16 16 CYS HB3 H 1 2.886 0.020 . 2 . . . . 16 CYS HB3 . 10002 1 178 . 1 1 16 16 CYS C C 13 175.353 0.400 . 1 . . . . 16 CYS C . 10002 1 179 . 1 1 16 16 CYS CA C 13 56.691 0.400 . 1 . . . . 16 CYS CA . 10002 1 180 . 1 1 16 16 CYS CB C 13 40.797 0.400 . 1 . . . . 16 CYS CB . 10002 1 181 . 1 1 16 16 CYS N N 15 123.553 0.400 . 1 . . . . 16 CYS N . 10002 1 182 . 1 1 17 17 SER H H 1 8.608 0.020 . 1 . . . . 17 SER H . 10002 1 183 . 1 1 17 17 SER HA H 1 4.140 0.020 . 1 . . . . 17 SER HA . 10002 1 184 . 1 1 17 17 SER HB2 H 1 4.172 0.020 . 1 . . . . 17 SER HB2 . 10002 1 185 . 1 1 17 17 SER HB3 H 1 4.172 0.020 . 1 . . . . 17 SER HB3 . 10002 1 186 . 1 1 17 17 SER C C 13 173.503 0.400 . 1 . . . . 17 SER C . 10002 1 187 . 1 1 17 17 SER CA C 13 61.129 0.400 . 1 . . . . 17 SER CA . 10002 1 188 . 1 1 17 17 SER CB C 13 63.149 0.400 . 1 . . . . 17 SER CB . 10002 1 189 . 1 1 17 17 SER N N 15 121.785 0.400 . 1 . . . . 17 SER N . 10002 1 190 . 1 1 18 18 VAL H H 1 6.847 0.020 . 1 . . . . 18 VAL H . 10002 1 191 . 1 1 18 18 VAL HA H 1 4.786 0.020 . 1 . . . . 18 VAL HA . 10002 1 192 . 1 1 18 18 VAL HB H 1 2.415 0.020 . 1 . . . . 18 VAL HB . 10002 1 193 . 1 1 18 18 VAL HG11 H 1 0.301 0.020 . 2 . . . . 18 VAL HG1 . 10002 1 194 . 1 1 18 18 VAL HG12 H 1 0.301 0.020 . 2 . . . . 18 VAL HG1 . 10002 1 195 . 1 1 18 18 VAL HG13 H 1 0.301 0.020 . 2 . . . . 18 VAL HG1 . 10002 1 196 . 1 1 18 18 VAL HG21 H 1 0.952 0.020 . 2 . . . . 18 VAL HG2 . 10002 1 197 . 1 1 18 18 VAL HG22 H 1 0.952 0.020 . 2 . . . . 18 VAL HG2 . 10002 1 198 . 1 1 18 18 VAL HG23 H 1 0.952 0.020 . 2 . . . . 18 VAL HG2 . 10002 1 199 . 1 1 18 18 VAL C C 13 175.082 0.400 . 1 . . . . 18 VAL C . 10002 1 200 . 1 1 18 18 VAL CA C 13 59.028 0.400 . 1 . . . . 18 VAL CA . 10002 1 201 . 1 1 18 18 VAL CB C 13 35.954 0.400 . 1 . . . . 18 VAL CB . 10002 1 202 . 1 1 18 18 VAL CG1 C 13 18.568 0.400 . 1 . . . . 18 VAL CG1 . 10002 1 203 . 1 1 18 18 VAL CG2 C 13 22.278 0.400 . 1 . . . . 18 VAL CG2 . 10002 1 204 . 1 1 18 18 VAL N N 15 113.390 0.400 . 1 . . . . 18 VAL N . 10002 1 205 . 1 1 19 19 THR H H 1 8.625 0.020 . 1 . . . . 19 THR H . 10002 1 206 . 1 1 19 19 THR HA H 1 4.188 0.020 . 1 . . . . 19 THR HA . 10002 1 207 . 1 1 19 19 THR HB H 1 4.306 0.020 . 1 . . . . 19 THR HB . 10002 1 208 . 1 1 19 19 THR HG21 H 1 1.146 0.020 . 1 . . . . 19 THR HG2 . 10002 1 209 . 1 1 19 19 THR HG22 H 1 1.146 0.020 . 1 . . . . 19 THR HG2 . 10002 1 210 . 1 1 19 19 THR HG23 H 1 1.146 0.020 . 1 . . . . 19 THR HG2 . 10002 1 211 . 1 1 19 19 THR C C 13 174.408 0.400 . 1 . . . . 19 THR C . 10002 1 212 . 1 1 19 19 THR CA C 13 62.119 0.400 . 1 . . . . 19 THR CA . 10002 1 213 . 1 1 19 19 THR CB C 13 69.518 0.400 . 1 . . . . 19 THR CB . 10002 1 214 . 1 1 19 19 THR CG2 C 13 21.957 0.400 . 1 . . . . 19 THR CG2 . 10002 1 215 . 1 1 19 19 THR N N 15 108.011 0.400 . 1 . . . . 19 THR N . 10002 1 216 . 1 1 20 20 CYS H H 1 7.529 0.020 . 1 . . . . 20 CYS H . 10002 1 217 . 1 1 20 20 CYS HA H 1 4.553 0.020 . 1 . . . . 20 CYS HA . 10002 1 218 . 1 1 20 20 CYS HB2 H 1 3.295 0.020 . 2 . . . . 20 CYS HB2 . 10002 1 219 . 1 1 20 20 CYS HB3 H 1 3.142 0.020 . 2 . . . . 20 CYS HB3 . 10002 1 220 . 1 1 20 20 CYS C C 13 172.029 0.400 . 1 . . . . 20 CYS C . 10002 1 221 . 1 1 20 20 CYS CA C 13 54.315 0.400 . 1 . . . . 20 CYS CA . 10002 1 222 . 1 1 20 20 CYS CB C 13 44.478 0.400 . 1 . . . . 20 CYS CB . 10002 1 223 . 1 1 20 20 CYS N N 15 116.924 0.400 . 1 . . . . 20 CYS N . 10002 1 224 . 1 1 21 21 GLY H H 1 8.010 0.020 . 1 . . . . 21 GLY H . 10002 1 225 . 1 1 21 21 GLY HA2 H 1 4.000 0.020 . 2 . . . . 21 GLY HA2 . 10002 1 226 . 1 1 21 21 GLY HA3 H 1 3.558 0.020 . 2 . . . . 21 GLY HA3 . 10002 1 227 . 1 1 21 21 GLY C C 13 172.425 0.400 . 1 . . . . 21 GLY C . 10002 1 228 . 1 1 21 21 GLY CA C 13 45.713 0.400 . 1 . . . . 21 GLY CA . 10002 1 229 . 1 1 21 21 GLY N N 15 112.116 0.400 . 1 . . . . 21 GLY N . 10002 1 230 . 1 1 22 22 LYS H H 1 8.173 0.020 . 1 . . . . 22 LYS H . 10002 1 231 . 1 1 22 22 LYS HA H 1 4.796 0.020 . 1 . . . . 22 LYS HA . 10002 1 232 . 1 1 22 22 LYS HB2 H 1 1.839 0.020 . 2 . . . . 22 LYS HB2 . 10002 1 233 . 1 1 22 22 LYS HB3 H 1 1.730 0.020 . 2 . . . . 22 LYS HB3 . 10002 1 234 . 1 1 22 22 LYS HG2 H 1 1.488 0.020 . 2 . . . . 22 LYS HG2 . 10002 1 235 . 1 1 22 22 LYS HG3 H 1 1.358 0.020 . 2 . . . . 22 LYS HG3 . 10002 1 236 . 1 1 22 22 LYS HD2 H 1 1.624 0.020 . 1 . . . . 22 LYS HD2 . 10002 1 237 . 1 1 22 22 LYS HD3 H 1 1.624 0.020 . 1 . . . . 22 LYS HD3 . 10002 1 238 . 1 1 22 22 LYS HE2 H 1 2.925 0.020 . 1 . . . . 22 LYS HE2 . 10002 1 239 . 1 1 22 22 LYS HE3 H 1 2.925 0.020 . 1 . . . . 22 LYS HE3 . 10002 1 240 . 1 1 22 22 LYS C C 13 176.434 0.400 . 1 . . . . 22 LYS C . 10002 1 241 . 1 1 22 22 LYS CA C 13 56.520 0.400 . 1 . . . . 22 LYS CA . 10002 1 242 . 1 1 22 22 LYS CB C 13 34.312 0.400 . 1 . . . . 22 LYS CB . 10002 1 243 . 1 1 22 22 LYS CG C 13 25.383 0.400 . 1 . . . . 22 LYS CG . 10002 1 244 . 1 1 22 22 LYS CD C 13 29.887 0.400 . 1 . . . . 22 LYS CD . 10002 1 245 . 1 1 22 22 LYS CE C 13 42.253 0.400 . 1 . . . . 22 LYS CE . 10002 1 246 . 1 1 22 22 LYS N N 15 121.562 0.400 . 1 . . . . 22 LYS N . 10002 1 247 . 1 1 23 23 GLY H H 1 8.765 0.020 . 1 . . . . 23 GLY H . 10002 1 248 . 1 1 23 23 GLY HA2 H 1 4.378 0.020 . 2 . . . . 23 GLY HA2 . 10002 1 249 . 1 1 23 23 GLY HA3 H 1 3.732 0.020 . 2 . . . . 23 GLY HA3 . 10002 1 250 . 1 1 23 23 GLY C C 13 173.314 0.400 . 1 . . . . 23 GLY C . 10002 1 251 . 1 1 23 23 GLY CA C 13 45.613 0.400 . 1 . . . . 23 GLY CA . 10002 1 252 . 1 1 23 23 GLY N N 15 113.366 0.400 . 1 . . . . 23 GLY N . 10002 1 253 . 1 1 24 24 MET H H 1 8.969 0.020 . 1 . . . . 24 MET H . 10002 1 254 . 1 1 24 24 MET HA H 1 5.464 0.020 . 1 . . . . 24 MET HA . 10002 1 255 . 1 1 24 24 MET HB2 H 1 1.860 0.020 . 1 . . . . 24 MET HB2 . 10002 1 256 . 1 1 24 24 MET HB3 H 1 1.860 0.020 . 1 . . . . 24 MET HB3 . 10002 1 257 . 1 1 24 24 MET HG2 H 1 2.529 0.020 . 2 . . . . 24 MET HG2 . 10002 1 258 . 1 1 24 24 MET HG3 H 1 2.357 0.020 . 2 . . . . 24 MET HG3 . 10002 1 259 . 1 1 24 24 MET HE1 H 1 1.893 0.020 . 1 . . . . 24 MET HE . 10002 1 260 . 1 1 24 24 MET HE2 H 1 1.893 0.020 . 1 . . . . 24 MET HE . 10002 1 261 . 1 1 24 24 MET HE3 H 1 1.893 0.020 . 1 . . . . 24 MET HE . 10002 1 262 . 1 1 24 24 MET C C 13 175.714 0.400 . 1 . . . . 24 MET C . 10002 1 263 . 1 1 24 24 MET CA C 13 54.402 0.400 . 1 . . . . 24 MET CA . 10002 1 264 . 1 1 24 24 MET CB C 13 36.713 0.400 . 1 . . . . 24 MET CB . 10002 1 265 . 1 1 24 24 MET CG C 13 32.068 0.400 . 1 . . . . 24 MET CG . 10002 1 266 . 1 1 24 24 MET CE C 13 17.110 0.400 . 1 . . . . 24 MET CE . 10002 1 267 . 1 1 24 24 MET N N 15 122.188 0.400 . 1 . . . . 24 MET N . 10002 1 268 . 1 1 25 25 ARG H H 1 9.304 0.020 . 1 . . . . 25 ARG H . 10002 1 269 . 1 1 25 25 ARG HA H 1 4.870 0.020 . 1 . . . . 25 ARG HA . 10002 1 270 . 1 1 25 25 ARG HB2 H 1 2.098 0.020 . 2 . . . . 25 ARG HB2 . 10002 1 271 . 1 1 25 25 ARG HB3 H 1 1.647 0.020 . 2 . . . . 25 ARG HB3 . 10002 1 272 . 1 1 25 25 ARG HG2 H 1 1.245 0.020 . 1 . . . . 25 ARG HG2 . 10002 1 273 . 1 1 25 25 ARG HG3 H 1 1.245 0.020 . 1 . . . . 25 ARG HG3 . 10002 1 274 . 1 1 25 25 ARG HD2 H 1 2.877 0.020 . 2 . . . . 25 ARG HD2 . 10002 1 275 . 1 1 25 25 ARG HD3 H 1 2.739 0.020 . 2 . . . . 25 ARG HD3 . 10002 1 276 . 1 1 25 25 ARG HE H 1 6.146 0.020 . 1 . . . . 25 ARG HE . 10002 1 277 . 1 1 25 25 ARG C C 13 174.773 0.400 . 1 . . . . 25 ARG C . 10002 1 278 . 1 1 25 25 ARG CA C 13 54.770 0.400 . 1 . . . . 25 ARG CA . 10002 1 279 . 1 1 25 25 ARG CB C 13 34.442 0.400 . 1 . . . . 25 ARG CB . 10002 1 280 . 1 1 25 25 ARG CG C 13 25.573 0.400 . 1 . . . . 25 ARG CG . 10002 1 281 . 1 1 25 25 ARG CD C 13 44.507 0.400 . 1 . . . . 25 ARG CD . 10002 1 282 . 1 1 25 25 ARG N N 15 120.529 0.400 . 1 . . . . 25 ARG N . 10002 1 283 . 1 1 25 25 ARG NE N 15 83.803 0.400 . 1 . . . . 25 ARG NE . 10002 1 284 . 1 1 26 26 THR H H 1 8.955 0.020 . 1 . . . . 26 THR H . 10002 1 285 . 1 1 26 26 THR HA H 1 5.994 0.020 . 1 . . . . 26 THR HA . 10002 1 286 . 1 1 26 26 THR HB H 1 4.280 0.020 . 1 . . . . 26 THR HB . 10002 1 287 . 1 1 26 26 THR HG21 H 1 1.172 0.020 . 1 . . . . 26 THR HG2 . 10002 1 288 . 1 1 26 26 THR HG22 H 1 1.172 0.020 . 1 . . . . 26 THR HG2 . 10002 1 289 . 1 1 26 26 THR HG23 H 1 1.172 0.020 . 1 . . . . 26 THR HG2 . 10002 1 290 . 1 1 26 26 THR C C 13 174.042 0.400 . 1 . . . . 26 THR C . 10002 1 291 . 1 1 26 26 THR CA C 13 60.660 0.400 . 1 . . . . 26 THR CA . 10002 1 292 . 1 1 26 26 THR CB C 13 73.924 0.400 . 1 . . . . 26 THR CB . 10002 1 293 . 1 1 26 26 THR CG2 C 13 21.779 0.400 . 1 . . . . 26 THR CG2 . 10002 1 294 . 1 1 26 26 THR N N 15 110.359 0.400 . 1 . . . . 26 THR N . 10002 1 295 . 1 1 27 27 ARG H H 1 8.647 0.020 . 1 . . . . 27 ARG H . 10002 1 296 . 1 1 27 27 ARG HA H 1 4.482 0.020 . 1 . . . . 27 ARG HA . 10002 1 297 . 1 1 27 27 ARG HB2 H 1 1.394 0.020 . 2 . . . . 27 ARG HB2 . 10002 1 298 . 1 1 27 27 ARG HB3 H 1 0.645 0.020 . 2 . . . . 27 ARG HB3 . 10002 1 299 . 1 1 27 27 ARG HG2 H 1 -0.359 0.020 . 2 . . . . 27 ARG HG2 . 10002 1 300 . 1 1 27 27 ARG HG3 H 1 0.237 0.020 . 2 . . . . 27 ARG HG3 . 10002 1 301 . 1 1 27 27 ARG HD2 H 1 1.853 0.020 . 2 . . . . 27 ARG HD2 . 10002 1 302 . 1 1 27 27 ARG HD3 H 1 0.151 0.020 . 2 . . . . 27 ARG HD3 . 10002 1 303 . 1 1 27 27 ARG HE H 1 6.108 0.020 . 1 . . . . 27 ARG HE . 10002 1 304 . 1 1 27 27 ARG C C 13 173.996 0.400 . 1 . . . . 27 ARG C . 10002 1 305 . 1 1 27 27 ARG CA C 13 55.527 0.400 . 1 . . . . 27 ARG CA . 10002 1 306 . 1 1 27 27 ARG CB C 13 33.198 0.400 . 1 . . . . 27 ARG CB . 10002 1 307 . 1 1 27 27 ARG CG C 13 23.481 0.400 . 1 . . . . 27 ARG CG . 10002 1 308 . 1 1 27 27 ARG CD C 13 43.540 0.400 . 1 . . . . 27 ARG CD . 10002 1 309 . 1 1 27 27 ARG N N 15 117.435 0.400 . 1 . . . . 27 ARG N . 10002 1 310 . 1 1 27 27 ARG NE N 15 83.817 0.400 . 1 . . . . 27 ARG NE . 10002 1 311 . 1 1 28 28 GLN H H 1 8.477 0.020 . 1 . . . . 28 GLN H . 10002 1 312 . 1 1 28 28 GLN HA H 1 5.765 0.020 . 1 . . . . 28 GLN HA . 10002 1 313 . 1 1 28 28 GLN HB2 H 1 2.232 0.020 . 2 . . . . 28 GLN HB2 . 10002 1 314 . 1 1 28 28 GLN HB3 H 1 2.115 0.020 . 2 . . . . 28 GLN HB3 . 10002 1 315 . 1 1 28 28 GLN HG2 H 1 2.417 0.020 . 2 . . . . 28 GLN HG2 . 10002 1 316 . 1 1 28 28 GLN HG3 H 1 2.347 0.020 . 2 . . . . 28 GLN HG3 . 10002 1 317 . 1 1 28 28 GLN HE21 H 1 7.812 0.020 . 2 . . . . 28 GLN HE21 . 10002 1 318 . 1 1 28 28 GLN HE22 H 1 6.860 0.020 . 2 . . . . 28 GLN HE22 . 10002 1 319 . 1 1 28 28 GLN C C 13 174.836 0.400 . 1 . . . . 28 GLN C . 10002 1 320 . 1 1 28 28 GLN CA C 13 55.649 0.400 . 1 . . . . 28 GLN CA . 10002 1 321 . 1 1 28 28 GLN CB C 13 33.880 0.400 . 1 . . . . 28 GLN CB . 10002 1 322 . 1 1 28 28 GLN CG C 13 33.993 0.400 . 1 . . . . 28 GLN CG . 10002 1 323 . 1 1 28 28 GLN N N 15 117.129 0.400 . 1 . . . . 28 GLN N . 10002 1 324 . 1 1 28 28 GLN NE2 N 15 112.681 0.400 . 1 . . . . 28 GLN NE2 . 10002 1 325 . 1 1 29 29 ARG H H 1 8.865 0.020 . 1 . . . . 29 ARG H . 10002 1 326 . 1 1 29 29 ARG HA H 1 4.375 0.020 . 1 . . . . 29 ARG HA . 10002 1 327 . 1 1 29 29 ARG HB2 H 1 1.422 0.020 . 2 . . . . 29 ARG HB2 . 10002 1 328 . 1 1 29 29 ARG HB3 H 1 0.818 0.020 . 2 . . . . 29 ARG HB3 . 10002 1 329 . 1 1 29 29 ARG HG2 H 1 0.628 0.020 . 2 . . . . 29 ARG HG2 . 10002 1 330 . 1 1 29 29 ARG HG3 H 1 0.345 0.020 . 2 . . . . 29 ARG HG3 . 10002 1 331 . 1 1 29 29 ARG HD2 H 1 2.151 0.020 . 2 . . . . 29 ARG HD2 . 10002 1 332 . 1 1 29 29 ARG HD3 H 1 0.533 0.020 . 2 . . . . 29 ARG HD3 . 10002 1 333 . 1 1 29 29 ARG HE H 1 5.922 0.020 . 1 . . . . 29 ARG HE . 10002 1 334 . 1 1 29 29 ARG C C 13 173.077 0.400 . 1 . . . . 29 ARG C . 10002 1 335 . 1 1 29 29 ARG CA C 13 55.100 0.400 . 1 . . . . 29 ARG CA . 10002 1 336 . 1 1 29 29 ARG CB C 13 32.544 0.400 . 1 . . . . 29 ARG CB . 10002 1 337 . 1 1 29 29 ARG CG C 13 25.084 0.400 . 1 . . . . 29 ARG CG . 10002 1 338 . 1 1 29 29 ARG CD C 13 43.230 0.400 . 1 . . . . 29 ARG CD . 10002 1 339 . 1 1 29 29 ARG N N 15 120.612 0.400 . 1 . . . . 29 ARG N . 10002 1 340 . 1 1 29 29 ARG NE N 15 86.264 0.400 . 1 . . . . 29 ARG NE . 10002 1 341 . 1 1 30 30 MET H H 1 8.182 0.020 . 1 . . . . 30 MET H . 10002 1 342 . 1 1 30 30 MET HA H 1 4.685 0.020 . 1 . . . . 30 MET HA . 10002 1 343 . 1 1 30 30 MET HB2 H 1 1.919 0.020 . 2 . . . . 30 MET HB2 . 10002 1 344 . 1 1 30 30 MET HB3 H 1 1.772 0.020 . 2 . . . . 30 MET HB3 . 10002 1 345 . 1 1 30 30 MET HG2 H 1 2.438 0.020 . 2 . . . . 30 MET HG2 . 10002 1 346 . 1 1 30 30 MET HG3 H 1 2.385 0.020 . 2 . . . . 30 MET HG3 . 10002 1 347 . 1 1 30 30 MET HE1 H 1 2.005 0.020 . 1 . . . . 30 MET HE . 10002 1 348 . 1 1 30 30 MET HE2 H 1 2.005 0.020 . 1 . . . . 30 MET HE . 10002 1 349 . 1 1 30 30 MET HE3 H 1 2.005 0.020 . 1 . . . . 30 MET HE . 10002 1 350 . 1 1 30 30 MET C C 13 175.142 0.400 . 1 . . . . 30 MET C . 10002 1 351 . 1 1 30 30 MET CA C 13 54.451 0.400 . 1 . . . . 30 MET CA . 10002 1 352 . 1 1 30 30 MET CB C 13 35.848 0.400 . 1 . . . . 30 MET CB . 10002 1 353 . 1 1 30 30 MET CG C 13 31.957 0.400 . 1 . . . . 30 MET CG . 10002 1 354 . 1 1 30 30 MET CE C 13 17.287 0.400 . 1 . . . . 30 MET CE . 10002 1 355 . 1 1 30 30 MET N N 15 116.472 0.400 . 1 . . . . 30 MET N . 10002 1 356 . 1 1 31 31 LEU H H 1 8.544 0.020 . 1 . . . . 31 LEU H . 10002 1 357 . 1 1 31 31 LEU HA H 1 4.400 0.020 . 1 . . . . 31 LEU HA . 10002 1 358 . 1 1 31 31 LEU HB2 H 1 1.689 0.020 . 2 . . . . 31 LEU HB2 . 10002 1 359 . 1 1 31 31 LEU HB3 H 1 1.432 0.020 . 2 . . . . 31 LEU HB3 . 10002 1 360 . 1 1 31 31 LEU HG H 1 1.592 0.020 . 1 . . . . 31 LEU HG . 10002 1 361 . 1 1 31 31 LEU HD11 H 1 0.865 0.020 . 2 . . . . 31 LEU HD1 . 10002 1 362 . 1 1 31 31 LEU HD12 H 1 0.865 0.020 . 2 . . . . 31 LEU HD1 . 10002 1 363 . 1 1 31 31 LEU HD13 H 1 0.865 0.020 . 2 . . . . 31 LEU HD1 . 10002 1 364 . 1 1 31 31 LEU HD21 H 1 0.865 0.020 . 2 . . . . 31 LEU HD2 . 10002 1 365 . 1 1 31 31 LEU HD22 H 1 0.865 0.020 . 2 . . . . 31 LEU HD2 . 10002 1 366 . 1 1 31 31 LEU HD23 H 1 0.865 0.020 . 2 . . . . 31 LEU HD2 . 10002 1 367 . 1 1 31 31 LEU C C 13 177.466 0.400 . 1 . . . . 31 LEU C . 10002 1 368 . 1 1 31 31 LEU CA C 13 55.619 0.400 . 1 . . . . 31 LEU CA . 10002 1 369 . 1 1 31 31 LEU CB C 13 42.940 0.400 . 1 . . . . 31 LEU CB . 10002 1 370 . 1 1 31 31 LEU CG C 13 27.848 0.400 . 1 . . . . 31 LEU CG . 10002 1 371 . 1 1 31 31 LEU CD1 C 13 25.551 0.400 . 1 . . . . 31 LEU CD1 . 10002 1 372 . 1 1 31 31 LEU N N 15 123.512 0.400 . 1 . . . . 31 LEU N . 10002 1 373 . 1 1 32 32 LYS H H 1 8.838 0.020 . 1 . . . . 32 LYS H . 10002 1 374 . 1 1 32 32 LYS HA H 1 4.284 0.020 . 1 . . . . 32 LYS HA . 10002 1 375 . 1 1 32 32 LYS HB2 H 1 1.785 0.020 . 2 . . . . 32 LYS HB2 . 10002 1 376 . 1 1 32 32 LYS HB3 H 1 1.414 0.020 . 2 . . . . 32 LYS HB3 . 10002 1 377 . 1 1 32 32 LYS HG2 H 1 1.307 0.020 . 2 . . . . 32 LYS HG2 . 10002 1 378 . 1 1 32 32 LYS HG3 H 1 1.258 0.020 . 2 . . . . 32 LYS HG3 . 10002 1 379 . 1 1 32 32 LYS HD2 H 1 1.497 0.020 . 1 . . . . 32 LYS HD2 . 10002 1 380 . 1 1 32 32 LYS HD3 H 1 1.497 0.020 . 1 . . . . 32 LYS HD3 . 10002 1 381 . 1 1 32 32 LYS HE2 H 1 2.839 0.020 . 1 . . . . 32 LYS HE2 . 10002 1 382 . 1 1 32 32 LYS HE3 H 1 2.839 0.020 . 1 . . . . 32 LYS HE3 . 10002 1 383 . 1 1 32 32 LYS C C 13 176.586 0.400 . 1 . . . . 32 LYS C . 10002 1 384 . 1 1 32 32 LYS CA C 13 56.501 0.400 . 1 . . . . 32 LYS CA . 10002 1 385 . 1 1 32 32 LYS CB C 13 32.841 0.400 . 1 . . . . 32 LYS CB . 10002 1 386 . 1 1 32 32 LYS CG C 13 24.809 0.400 . 1 . . . . 32 LYS CG . 10002 1 387 . 1 1 32 32 LYS CD C 13 28.847 0.400 . 1 . . . . 32 LYS CD . 10002 1 388 . 1 1 32 32 LYS CE C 13 41.802 0.400 . 1 . . . . 32 LYS CE . 10002 1 389 . 1 1 32 32 LYS N N 15 124.599 0.400 . 1 . . . . 32 LYS N . 10002 1 390 . 1 1 33 33 SER H H 1 7.832 0.020 . 1 . . . . 33 SER H . 10002 1 391 . 1 1 33 33 SER HA H 1 4.511 0.020 . 1 . . . . 33 SER HA . 10002 1 392 . 1 1 33 33 SER HB2 H 1 3.897 0.020 . 2 . . . . 33 SER HB2 . 10002 1 393 . 1 1 33 33 SER HB3 H 1 3.799 0.020 . 2 . . . . 33 SER HB3 . 10002 1 394 . 1 1 33 33 SER C C 13 173.733 0.400 . 1 . . . . 33 SER C . 10002 1 395 . 1 1 33 33 SER CA C 13 57.482 0.400 . 1 . . . . 33 SER CA . 10002 1 396 . 1 1 33 33 SER CB C 13 64.707 0.400 . 1 . . . . 33 SER CB . 10002 1 397 . 1 1 33 33 SER N N 15 114.414 0.400 . 1 . . . . 33 SER N . 10002 1 398 . 1 1 34 34 LEU H H 1 8.421 0.020 . 1 . . . . 34 LEU H . 10002 1 399 . 1 1 34 34 LEU HA H 1 4.282 0.020 . 1 . . . . 34 LEU HA . 10002 1 400 . 1 1 34 34 LEU HB2 H 1 1.602 0.020 . 1 . . . . 34 LEU HB2 . 10002 1 401 . 1 1 34 34 LEU HB3 H 1 1.602 0.020 . 1 . . . . 34 LEU HB3 . 10002 1 402 . 1 1 34 34 LEU HG H 1 1.610 0.020 . 1 . . . . 34 LEU HG . 10002 1 403 . 1 1 34 34 LEU HD11 H 1 0.884 0.020 . 2 . . . . 34 LEU HD1 . 10002 1 404 . 1 1 34 34 LEU HD12 H 1 0.884 0.020 . 2 . . . . 34 LEU HD1 . 10002 1 405 . 1 1 34 34 LEU HD13 H 1 0.884 0.020 . 2 . . . . 34 LEU HD1 . 10002 1 406 . 1 1 34 34 LEU HD21 H 1 0.836 0.020 . 2 . . . . 34 LEU HD2 . 10002 1 407 . 1 1 34 34 LEU HD22 H 1 0.836 0.020 . 2 . . . . 34 LEU HD2 . 10002 1 408 . 1 1 34 34 LEU HD23 H 1 0.836 0.020 . 2 . . . . 34 LEU HD2 . 10002 1 409 . 1 1 34 34 LEU C C 13 177.451 0.400 . 1 . . . . 34 LEU C . 10002 1 410 . 1 1 34 34 LEU CA C 13 55.749 0.400 . 1 . . . . 34 LEU CA . 10002 1 411 . 1 1 34 34 LEU CB C 13 41.942 0.400 . 1 . . . . 34 LEU CB . 10002 1 412 . 1 1 34 34 LEU CG C 13 27.409 0.400 . 1 . . . . 34 LEU CG . 10002 1 413 . 1 1 34 34 LEU CD1 C 13 25.444 0.400 . 1 . . . . 34 LEU CD1 . 10002 1 414 . 1 1 34 34 LEU CD2 C 13 23.782 0.400 . 1 . . . . 34 LEU CD2 . 10002 1 415 . 1 1 34 34 LEU N N 15 123.185 0.400 . 1 . . . . 34 LEU N . 10002 1 416 . 1 1 35 35 ALA H H 1 8.136 0.020 . 1 . . . . 35 ALA H . 10002 1 417 . 1 1 35 35 ALA HA H 1 4.222 0.020 . 1 . . . . 35 ALA HA . 10002 1 418 . 1 1 35 35 ALA HB1 H 1 1.339 0.020 . 1 . . . . 35 ALA HB . 10002 1 419 . 1 1 35 35 ALA HB2 H 1 1.339 0.020 . 1 . . . . 35 ALA HB . 10002 1 420 . 1 1 35 35 ALA HB3 H 1 1.339 0.020 . 1 . . . . 35 ALA HB . 10002 1 421 . 1 1 35 35 ALA C C 13 177.904 0.400 . 1 . . . . 35 ALA C . 10002 1 422 . 1 1 35 35 ALA CA C 13 53.182 0.400 . 1 . . . . 35 ALA CA . 10002 1 423 . 1 1 35 35 ALA CB C 13 20.020 0.400 . 1 . . . . 35 ALA CB . 10002 1 424 . 1 1 35 35 ALA N N 15 125.264 0.400 . 1 . . . . 35 ALA N . 10002 1 425 . 1 1 36 36 GLU H H 1 8.422 0.020 . 1 . . . . 36 GLU H . 10002 1 426 . 1 1 36 36 GLU HA H 1 4.202 0.020 . 1 . . . . 36 GLU HA . 10002 1 427 . 1 1 36 36 GLU HB2 H 1 2.071 0.020 . 2 . . . . 36 GLU HB2 . 10002 1 428 . 1 1 36 36 GLU HB3 H 1 1.939 0.020 . 2 . . . . 36 GLU HB3 . 10002 1 429 . 1 1 36 36 GLU HG2 H 1 2.227 0.020 . 1 . . . . 36 GLU HG2 . 10002 1 430 . 1 1 36 36 GLU HG3 H 1 2.227 0.020 . 1 . . . . 36 GLU HG3 . 10002 1 431 . 1 1 36 36 GLU C C 13 176.899 0.400 . 1 . . . . 36 GLU C . 10002 1 432 . 1 1 36 36 GLU CA C 13 56.911 0.400 . 1 . . . . 36 GLU CA . 10002 1 433 . 1 1 36 36 GLU CB C 13 30.295 0.400 . 1 . . . . 36 GLU CB . 10002 1 434 . 1 1 36 36 GLU CG C 13 36.712 0.400 . 1 . . . . 36 GLU CG . 10002 1 435 . 1 1 36 36 GLU N N 15 119.475 0.400 . 1 . . . . 36 GLU N . 10002 1 436 . 1 1 37 37 LEU H H 1 8.135 0.020 . 1 . . . . 37 LEU H . 10002 1 437 . 1 1 37 37 LEU HA H 1 4.154 0.020 . 1 . . . . 37 LEU HA . 10002 1 438 . 1 1 37 37 LEU HB2 H 1 1.654 0.020 . 2 . . . . 37 LEU HB2 . 10002 1 439 . 1 1 37 37 LEU HB3 H 1 1.582 0.020 . 2 . . . . 37 LEU HB3 . 10002 1 440 . 1 1 37 37 LEU HG H 1 1.604 0.020 . 1 . . . . 37 LEU HG . 10002 1 441 . 1 1 37 37 LEU HD11 H 1 0.897 0.020 . 2 . . . . 37 LEU HD1 . 10002 1 442 . 1 1 37 37 LEU HD12 H 1 0.897 0.020 . 2 . . . . 37 LEU HD1 . 10002 1 443 . 1 1 37 37 LEU HD13 H 1 0.897 0.020 . 2 . . . . 37 LEU HD1 . 10002 1 444 . 1 1 37 37 LEU HD21 H 1 0.848 0.020 . 2 . . . . 37 LEU HD2 . 10002 1 445 . 1 1 37 37 LEU HD22 H 1 0.848 0.020 . 2 . . . . 37 LEU HD2 . 10002 1 446 . 1 1 37 37 LEU HD23 H 1 0.848 0.020 . 2 . . . . 37 LEU HD2 . 10002 1 447 . 1 1 37 37 LEU C C 13 178.165 0.400 . 1 . . . . 37 LEU C . 10002 1 448 . 1 1 37 37 LEU CA C 13 56.720 0.400 . 1 . . . . 37 LEU CA . 10002 1 449 . 1 1 37 37 LEU CB C 13 42.317 0.400 . 1 . . . . 37 LEU CB . 10002 1 450 . 1 1 37 37 LEU CG C 13 27.398 0.400 . 1 . . . . 37 LEU CG . 10002 1 451 . 1 1 37 37 LEU CD1 C 13 25.277 0.400 . 1 . . . . 37 LEU CD1 . 10002 1 452 . 1 1 37 37 LEU CD2 C 13 24.136 0.400 . 1 . . . . 37 LEU CD2 . 10002 1 453 . 1 1 37 37 LEU N N 15 122.356 0.400 . 1 . . . . 37 LEU N . 10002 1 454 . 1 1 38 38 GLY H H 1 8.364 0.020 . 1 . . . . 38 GLY H . 10002 1 455 . 1 1 38 38 GLY HA2 H 1 3.976 0.020 . 2 . . . . 38 GLY HA2 . 10002 1 456 . 1 1 38 38 GLY HA3 H 1 3.831 0.020 . 2 . . . . 38 GLY HA3 . 10002 1 457 . 1 1 38 38 GLY C C 13 173.753 0.400 . 1 . . . . 38 GLY C . 10002 1 458 . 1 1 38 38 GLY CA C 13 45.784 0.400 . 1 . . . . 38 GLY CA . 10002 1 459 . 1 1 38 38 GLY N N 15 109.433 0.400 . 1 . . . . 38 GLY N . 10002 1 460 . 1 1 39 39 ASP H H 1 8.114 0.020 . 1 . . . . 39 ASP H . 10002 1 461 . 1 1 39 39 ASP HA H 1 4.655 0.020 . 1 . . . . 39 ASP HA . 10002 1 462 . 1 1 39 39 ASP HB2 H 1 2.675 0.020 . 1 . . . . 39 ASP HB2 . 10002 1 463 . 1 1 39 39 ASP HB3 H 1 2.675 0.020 . 1 . . . . 39 ASP HB3 . 10002 1 464 . 1 1 39 39 ASP C C 13 176.295 0.400 . 1 . . . . 39 ASP C . 10002 1 465 . 1 1 39 39 ASP CA C 13 54.657 0.400 . 1 . . . . 39 ASP CA . 10002 1 466 . 1 1 39 39 ASP CB C 13 41.830 0.400 . 1 . . . . 39 ASP CB . 10002 1 467 . 1 1 39 39 ASP N N 15 120.193 0.400 . 1 . . . . 39 ASP N . 10002 1 468 . 1 1 40 40 CYS H H 1 8.288 0.020 . 1 . . . . 40 CYS H . 10002 1 469 . 1 1 40 40 CYS HA H 1 4.740 0.020 . 1 . . . . 40 CYS HA . 10002 1 470 . 1 1 40 40 CYS HB2 H 1 3.144 0.020 . 2 . . . . 40 CYS HB2 . 10002 1 471 . 1 1 40 40 CYS HB3 H 1 2.924 0.020 . 2 . . . . 40 CYS HB3 . 10002 1 472 . 1 1 40 40 CYS CA C 13 55.494 0.400 . 1 . . . . 40 CYS CA . 10002 1 473 . 1 1 40 40 CYS CB C 13 40.767 0.400 . 1 . . . . 40 CYS CB . 10002 1 474 . 1 1 40 40 CYS N N 15 119.024 0.400 . 1 . . . . 40 CYS N . 10002 1 475 . 1 1 41 41 ASN H H 1 8.884 0.020 . 1 . . . . 41 ASN H . 10002 1 476 . 1 1 41 41 ASN HA H 1 4.739 0.020 . 1 . . . . 41 ASN HA . 10002 1 477 . 1 1 41 41 ASN HB2 H 1 2.824 0.020 . 2 . . . . 41 ASN HB2 . 10002 1 478 . 1 1 41 41 ASN HB3 H 1 2.699 0.020 . 2 . . . . 41 ASN HB3 . 10002 1 479 . 1 1 41 41 ASN HD21 H 1 7.582 0.020 . 2 . . . . 41 ASN HD21 . 10002 1 480 . 1 1 41 41 ASN HD22 H 1 6.858 0.020 . 2 . . . . 41 ASN HD22 . 10002 1 481 . 1 1 41 41 ASN C C 13 174.768 0.400 . 1 . . . . 41 ASN C . 10002 1 482 . 1 1 41 41 ASN CA C 13 53.487 0.400 . 1 . . . . 41 ASN CA . 10002 1 483 . 1 1 41 41 ASN CB C 13 38.930 0.400 . 1 . . . . 41 ASN CB . 10002 1 484 . 1 1 41 41 ASN N N 15 122.540 0.400 . 1 . . . . 41 ASN N . 10002 1 485 . 1 1 41 41 ASN ND2 N 15 113.285 0.400 . 1 . . . . 41 ASN ND2 . 10002 1 486 . 1 1 42 42 GLU H H 1 7.961 0.020 . 1 . . . . 42 GLU H . 10002 1 487 . 1 1 42 42 GLU HA H 1 4.334 0.020 . 1 . . . . 42 GLU HA . 10002 1 488 . 1 1 42 42 GLU HB2 H 1 1.895 0.020 . 2 . . . . 42 GLU HB2 . 10002 1 489 . 1 1 42 42 GLU HB3 H 1 1.577 0.020 . 2 . . . . 42 GLU HB3 . 10002 1 490 . 1 1 42 42 GLU HG2 H 1 2.201 0.020 . 1 . . . . 42 GLU HG2 . 10002 1 491 . 1 1 42 42 GLU HG3 H 1 2.201 0.020 . 1 . . . . 42 GLU HG3 . 10002 1 492 . 1 1 42 42 GLU C C 13 175.817 0.400 . 1 . . . . 42 GLU C . 10002 1 493 . 1 1 42 42 GLU CA C 13 56.180 0.400 . 1 . . . . 42 GLU CA . 10002 1 494 . 1 1 42 42 GLU CB C 13 31.983 0.400 . 1 . . . . 42 GLU CB . 10002 1 495 . 1 1 42 42 GLU CG C 13 36.414 0.400 . 1 . . . . 42 GLU CG . 10002 1 496 . 1 1 42 42 GLU N N 15 120.320 0.400 . 1 . . . . 42 GLU N . 10002 1 497 . 1 1 43 43 ASP H H 1 8.888 0.020 . 1 . . . . 43 ASP H . 10002 1 498 . 1 1 43 43 ASP HA H 1 4.548 0.020 . 1 . . . . 43 ASP HA . 10002 1 499 . 1 1 43 43 ASP HB2 H 1 2.939 0.020 . 2 . . . . 43 ASP HB2 . 10002 1 500 . 1 1 43 43 ASP HB3 H 1 2.718 0.020 . 2 . . . . 43 ASP HB3 . 10002 1 501 . 1 1 43 43 ASP C C 13 176.449 0.400 . 1 . . . . 43 ASP C . 10002 1 502 . 1 1 43 43 ASP CA C 13 55.306 0.400 . 1 . . . . 43 ASP CA . 10002 1 503 . 1 1 43 43 ASP CB C 13 41.428 0.400 . 1 . . . . 43 ASP CB . 10002 1 504 . 1 1 43 43 ASP N N 15 120.765 0.400 . 1 . . . . 43 ASP N . 10002 1 505 . 1 1 44 44 LEU H H 1 8.945 0.020 . 1 . . . . 44 LEU H . 10002 1 506 . 1 1 44 44 LEU HA H 1 4.119 0.020 . 1 . . . . 44 LEU HA . 10002 1 507 . 1 1 44 44 LEU HB2 H 1 1.923 0.020 . 2 . . . . 44 LEU HB2 . 10002 1 508 . 1 1 44 44 LEU HB3 H 1 1.656 0.020 . 2 . . . . 44 LEU HB3 . 10002 1 509 . 1 1 44 44 LEU HG H 1 1.655 0.020 . 1 . . . . 44 LEU HG . 10002 1 510 . 1 1 44 44 LEU HD11 H 1 0.906 0.020 . 2 . . . . 44 LEU HD1 . 10002 1 511 . 1 1 44 44 LEU HD12 H 1 0.906 0.020 . 2 . . . . 44 LEU HD1 . 10002 1 512 . 1 1 44 44 LEU HD13 H 1 0.906 0.020 . 2 . . . . 44 LEU HD1 . 10002 1 513 . 1 1 44 44 LEU HD21 H 1 0.517 0.020 . 2 . . . . 44 LEU HD2 . 10002 1 514 . 1 1 44 44 LEU HD22 H 1 0.517 0.020 . 2 . . . . 44 LEU HD2 . 10002 1 515 . 1 1 44 44 LEU HD23 H 1 0.517 0.020 . 2 . . . . 44 LEU HD2 . 10002 1 516 . 1 1 44 44 LEU C C 13 175.612 0.400 . 1 . . . . 44 LEU C . 10002 1 517 . 1 1 44 44 LEU CA C 13 55.336 0.400 . 1 . . . . 44 LEU CA . 10002 1 518 . 1 1 44 44 LEU CB C 13 42.284 0.400 . 1 . . . . 44 LEU CB . 10002 1 519 . 1 1 44 44 LEU CG C 13 27.415 0.400 . 1 . . . . 44 LEU CG . 10002 1 520 . 1 1 44 44 LEU CD1 C 13 25.951 0.400 . 1 . . . . 44 LEU CD1 . 10002 1 521 . 1 1 44 44 LEU CD2 C 13 23.776 0.400 . 1 . . . . 44 LEU CD2 . 10002 1 522 . 1 1 44 44 LEU N N 15 121.243 0.400 . 1 . . . . 44 LEU N . 10002 1 523 . 1 1 45 45 GLU H H 1 7.719 0.020 . 1 . . . . 45 GLU H . 10002 1 524 . 1 1 45 45 GLU HA H 1 5.494 0.020 . 1 . . . . 45 GLU HA . 10002 1 525 . 1 1 45 45 GLU HB2 H 1 2.089 0.020 . 1 . . . . 45 GLU HB2 . 10002 1 526 . 1 1 45 45 GLU HB3 H 1 2.089 0.020 . 1 . . . . 45 GLU HB3 . 10002 1 527 . 1 1 45 45 GLU HG2 H 1 2.185 0.020 . 2 . . . . 45 GLU HG2 . 10002 1 528 . 1 1 45 45 GLU HG3 H 1 2.317 0.020 . 2 . . . . 45 GLU HG3 . 10002 1 529 . 1 1 45 45 GLU C C 13 174.851 0.400 . 1 . . . . 45 GLU C . 10002 1 530 . 1 1 45 45 GLU CA C 13 55.433 0.400 . 1 . . . . 45 GLU CA . 10002 1 531 . 1 1 45 45 GLU CB C 13 34.176 0.400 . 1 . . . . 45 GLU CB . 10002 1 532 . 1 1 45 45 GLU CG C 13 37.268 0.400 . 1 . . . . 45 GLU CG . 10002 1 533 . 1 1 45 45 GLU N N 15 117.992 0.400 . 1 . . . . 45 GLU N . 10002 1 534 . 1 1 46 46 GLN H H 1 8.549 0.020 . 1 . . . . 46 GLN H . 10002 1 535 . 1 1 46 46 GLN HA H 1 4.622 0.020 . 1 . . . . 46 GLN HA . 10002 1 536 . 1 1 46 46 GLN HB2 H 1 1.596 0.020 . 2 . . . . 46 GLN HB2 . 10002 1 537 . 1 1 46 46 GLN HB3 H 1 1.179 0.020 . 2 . . . . 46 GLN HB3 . 10002 1 538 . 1 1 46 46 GLN HG2 H 1 2.216 0.020 . 2 . . . . 46 GLN HG2 . 10002 1 539 . 1 1 46 46 GLN HG3 H 1 2.062 0.020 . 2 . . . . 46 GLN HG3 . 10002 1 540 . 1 1 46 46 GLN HE21 H 1 7.909 0.020 . 2 . . . . 46 GLN HE21 . 10002 1 541 . 1 1 46 46 GLN HE22 H 1 6.887 0.020 . 2 . . . . 46 GLN HE22 . 10002 1 542 . 1 1 46 46 GLN C C 13 173.477 0.400 . 1 . . . . 46 GLN C . 10002 1 543 . 1 1 46 46 GLN CA C 13 55.058 0.400 . 1 . . . . 46 GLN CA . 10002 1 544 . 1 1 46 46 GLN CB C 13 33.574 0.400 . 1 . . . . 46 GLN CB . 10002 1 545 . 1 1 46 46 GLN CG C 13 34.477 0.400 . 1 . . . . 46 GLN CG . 10002 1 546 . 1 1 46 46 GLN N N 15 122.839 0.400 . 1 . . . . 46 GLN N . 10002 1 547 . 1 1 46 46 GLN NE2 N 15 113.445 0.400 . 1 . . . . 46 GLN NE2 . 10002 1 548 . 1 1 47 47 ALA H H 1 8.603 0.020 . 1 . . . . 47 ALA H . 10002 1 549 . 1 1 47 47 ALA HA H 1 5.756 0.020 . 1 . . . . 47 ALA HA . 10002 1 550 . 1 1 47 47 ALA HB1 H 1 1.351 0.020 . 1 . . . . 47 ALA HB . 10002 1 551 . 1 1 47 47 ALA HB2 H 1 1.351 0.020 . 1 . . . . 47 ALA HB . 10002 1 552 . 1 1 47 47 ALA HB3 H 1 1.351 0.020 . 1 . . . . 47 ALA HB . 10002 1 553 . 1 1 47 47 ALA C C 13 176.664 0.400 . 1 . . . . 47 ALA C . 10002 1 554 . 1 1 47 47 ALA CA C 13 50.807 0.400 . 1 . . . . 47 ALA CA . 10002 1 555 . 1 1 47 47 ALA CB C 13 23.462 0.400 . 1 . . . . 47 ALA CB . 10002 1 556 . 1 1 47 47 ALA N N 15 124.363 0.400 . 1 . . . . 47 ALA N . 10002 1 557 . 1 1 48 48 GLU H H 1 9.112 0.020 . 1 . . . . 48 GLU H . 10002 1 558 . 1 1 48 48 GLU HA H 1 4.638 0.020 . 1 . . . . 48 GLU HA . 10002 1 559 . 1 1 48 48 GLU HB2 H 1 1.554 0.020 . 1 . . . . 48 GLU HB2 . 10002 1 560 . 1 1 48 48 GLU HB3 H 1 1.554 0.020 . 1 . . . . 48 GLU HB3 . 10002 1 561 . 1 1 48 48 GLU HG2 H 1 1.578 0.020 . 1 . . . . 48 GLU HG2 . 10002 1 562 . 1 1 48 48 GLU HG3 H 1 1.578 0.020 . 1 . . . . 48 GLU HG3 . 10002 1 563 . 1 1 48 48 GLU C C 13 174.182 0.400 . 1 . . . . 48 GLU C . 10002 1 564 . 1 1 48 48 GLU CA C 13 54.422 0.400 . 1 . . . . 48 GLU CA . 10002 1 565 . 1 1 48 48 GLU CB C 13 34.030 0.400 . 1 . . . . 48 GLU CB . 10002 1 566 . 1 1 48 48 GLU CG C 13 35.284 0.400 . 1 . . . . 48 GLU CG . 10002 1 567 . 1 1 48 48 GLU N N 15 120.674 0.400 . 1 . . . . 48 GLU N . 10002 1 568 . 1 1 49 49 LYS H H 1 8.447 0.020 . 1 . . . . 49 LYS H . 10002 1 569 . 1 1 49 49 LYS HA H 1 4.858 0.020 . 1 . . . . 49 LYS HA . 10002 1 570 . 1 1 49 49 LYS HB2 H 1 1.726 0.020 . 2 . . . . 49 LYS HB2 . 10002 1 571 . 1 1 49 49 LYS HB3 H 1 1.669 0.020 . 2 . . . . 49 LYS HB3 . 10002 1 572 . 1 1 49 49 LYS HG2 H 1 1.407 0.020 . 1 . . . . 49 LYS HG2 . 10002 1 573 . 1 1 49 49 LYS HG3 H 1 1.407 0.020 . 1 . . . . 49 LYS HG3 . 10002 1 574 . 1 1 49 49 LYS HE2 H 1 2.911 0.020 . 1 . . . . 49 LYS HE2 . 10002 1 575 . 1 1 49 49 LYS HE3 H 1 2.911 0.020 . 1 . . . . 49 LYS HE3 . 10002 1 576 . 1 1 49 49 LYS C C 13 176.325 0.400 . 1 . . . . 49 LYS C . 10002 1 577 . 1 1 49 49 LYS CA C 13 56.986 0.400 . 1 . . . . 49 LYS CA . 10002 1 578 . 1 1 49 49 LYS CB C 13 33.456 0.400 . 1 . . . . 49 LYS CB . 10002 1 579 . 1 1 49 49 LYS CG C 13 25.328 0.400 . 1 . . . . 49 LYS CG . 10002 1 580 . 1 1 49 49 LYS CD C 13 29.779 0.400 . 1 . . . . 49 LYS CD . 10002 1 581 . 1 1 49 49 LYS CE C 13 42.179 0.400 . 1 . . . . 49 LYS CE . 10002 1 582 . 1 1 49 49 LYS N N 15 122.594 0.400 . 1 . . . . 49 LYS N . 10002 1 583 . 1 1 50 50 CYS H H 1 8.402 0.020 . 1 . . . . 50 CYS H . 10002 1 584 . 1 1 50 50 CYS HA H 1 4.649 0.020 . 1 . . . . 50 CYS HA . 10002 1 585 . 1 1 50 50 CYS HB2 H 1 2.969 0.020 . 1 . . . . 50 CYS HB2 . 10002 1 586 . 1 1 50 50 CYS HB3 H 1 2.969 0.020 . 1 . . . . 50 CYS HB3 . 10002 1 587 . 1 1 50 50 CYS C C 13 171.999 0.400 . 1 . . . . 50 CYS C . 10002 1 588 . 1 1 50 50 CYS CA C 13 53.890 0.400 . 1 . . . . 50 CYS CA . 10002 1 589 . 1 1 50 50 CYS CB C 13 46.985 0.400 . 1 . . . . 50 CYS CB . 10002 1 590 . 1 1 50 50 CYS N N 15 119.714 0.400 . 1 . . . . 50 CYS N . 10002 1 591 . 1 1 51 51 MET H H 1 8.672 0.020 . 1 . . . . 51 MET H . 10002 1 592 . 1 1 51 51 MET HA H 1 4.851 0.020 . 1 . . . . 51 MET HA . 10002 1 593 . 1 1 51 51 MET HB2 H 1 1.902 0.020 . 2 . . . . 51 MET HB2 . 10002 1 594 . 1 1 51 51 MET HB3 H 1 1.776 0.020 . 2 . . . . 51 MET HB3 . 10002 1 595 . 1 1 51 51 MET HG2 H 1 2.323 0.020 . 1 . . . . 51 MET HG2 . 10002 1 596 . 1 1 51 51 MET HG3 H 1 2.323 0.020 . 1 . . . . 51 MET HG3 . 10002 1 597 . 1 1 51 51 MET HE1 H 1 1.986 0.020 . 1 . . . . 51 MET HE . 10002 1 598 . 1 1 51 51 MET HE2 H 1 1.986 0.020 . 1 . . . . 51 MET HE . 10002 1 599 . 1 1 51 51 MET HE3 H 1 1.986 0.020 . 1 . . . . 51 MET HE . 10002 1 600 . 1 1 51 51 MET C C 13 173.717 0.400 . 1 . . . . 51 MET C . 10002 1 601 . 1 1 51 51 MET CA C 13 55.142 0.400 . 1 . . . . 51 MET CA . 10002 1 602 . 1 1 51 51 MET CB C 13 34.285 0.400 . 1 . . . . 51 MET CB . 10002 1 603 . 1 1 51 51 MET CG C 13 32.285 0.400 . 1 . . . . 51 MET CG . 10002 1 604 . 1 1 51 51 MET CE C 13 17.253 0.400 . 1 . . . . 51 MET CE . 10002 1 605 . 1 1 51 51 MET N N 15 122.302 0.400 . 1 . . . . 51 MET N . 10002 1 606 . 1 1 52 52 LEU H H 1 8.708 0.020 . 1 . . . . 52 LEU H . 10002 1 607 . 1 1 52 52 LEU HA H 1 4.691 0.020 . 1 . . . . 52 LEU HA . 10002 1 608 . 1 1 52 52 LEU HB2 H 1 1.331 0.020 . 2 . . . . 52 LEU HB2 . 10002 1 609 . 1 1 52 52 LEU HB3 H 1 1.615 0.020 . 2 . . . . 52 LEU HB3 . 10002 1 610 . 1 1 52 52 LEU HG H 1 1.471 0.020 . 1 . . . . 52 LEU HG . 10002 1 611 . 1 1 52 52 LEU HD11 H 1 0.824 0.020 . 2 . . . . 52 LEU HD1 . 10002 1 612 . 1 1 52 52 LEU HD12 H 1 0.824 0.020 . 2 . . . . 52 LEU HD1 . 10002 1 613 . 1 1 52 52 LEU HD13 H 1 0.824 0.020 . 2 . . . . 52 LEU HD1 . 10002 1 614 . 1 1 52 52 LEU HD21 H 1 0.705 0.020 . 2 . . . . 52 LEU HD2 . 10002 1 615 . 1 1 52 52 LEU HD22 H 1 0.705 0.020 . 2 . . . . 52 LEU HD2 . 10002 1 616 . 1 1 52 52 LEU HD23 H 1 0.705 0.020 . 2 . . . . 52 LEU HD2 . 10002 1 617 . 1 1 52 52 LEU CA C 13 52.750 0.400 . 1 . . . . 52 LEU CA . 10002 1 618 . 1 1 52 52 LEU CB C 13 42.547 0.400 . 1 . . . . 52 LEU CB . 10002 1 619 . 1 1 52 52 LEU CG C 13 28.776 0.400 . 1 . . . . 52 LEU CG . 10002 1 620 . 1 1 52 52 LEU CD1 C 13 23.835 0.400 . 1 . . . . 52 LEU CD1 . 10002 1 621 . 1 1 52 52 LEU CD2 C 13 25.891 0.400 . 1 . . . . 52 LEU CD2 . 10002 1 622 . 1 1 52 52 LEU N N 15 131.098 0.400 . 1 . . . . 52 LEU N . 10002 1 623 . 1 1 53 53 PRO HA H 1 4.277 0.020 . 1 . . . . 53 PRO HA . 10002 1 624 . 1 1 53 53 PRO HB2 H 1 2.314 0.020 . 2 . . . . 53 PRO HB2 . 10002 1 625 . 1 1 53 53 PRO HB3 H 1 1.828 0.020 . 2 . . . . 53 PRO HB3 . 10002 1 626 . 1 1 53 53 PRO HG2 H 1 2.078 0.020 . 1 . . . . 53 PRO HG2 . 10002 1 627 . 1 1 53 53 PRO HG3 H 1 2.078 0.020 . 1 . . . . 53 PRO HG3 . 10002 1 628 . 1 1 53 53 PRO HD2 H 1 3.605 0.020 . 2 . . . . 53 PRO HD2 . 10002 1 629 . 1 1 53 53 PRO HD3 H 1 3.696 0.020 . 2 . . . . 53 PRO HD3 . 10002 1 630 . 1 1 53 53 PRO C C 13 176.084 0.400 . 1 . . . . 53 PRO C . 10002 1 631 . 1 1 53 53 PRO CA C 13 63.758 0.400 . 1 . . . . 53 PRO CA . 10002 1 632 . 1 1 53 53 PRO CB C 13 32.054 0.400 . 1 . . . . 53 PRO CB . 10002 1 633 . 1 1 53 53 PRO CG C 13 28.344 0.400 . 1 . . . . 53 PRO CG . 10002 1 634 . 1 1 53 53 PRO CD C 13 50.776 0.400 . 1 . . . . 53 PRO CD . 10002 1 635 . 1 1 54 54 GLU H H 1 8.504 0.020 . 1 . . . . 54 GLU H . 10002 1 636 . 1 1 54 54 GLU HA H 1 3.928 0.020 . 1 . . . . 54 GLU HA . 10002 1 637 . 1 1 54 54 GLU HB2 H 1 2.001 0.020 . 2 . . . . 54 GLU HB2 . 10002 1 638 . 1 1 54 54 GLU HB3 H 1 1.865 0.020 . 2 . . . . 54 GLU HB3 . 10002 1 639 . 1 1 54 54 GLU HG2 H 1 2.376 0.020 . 1 . . . . 54 GLU HG2 . 10002 1 640 . 1 1 54 54 GLU HG3 H 1 2.376 0.020 . 1 . . . . 54 GLU HG3 . 10002 1 641 . 1 1 54 54 GLU C C 13 176.810 0.400 . 1 . . . . 54 GLU C . 10002 1 642 . 1 1 54 54 GLU CA C 13 57.510 0.400 . 1 . . . . 54 GLU CA . 10002 1 643 . 1 1 54 54 GLU CB C 13 30.316 0.400 . 1 . . . . 54 GLU CB . 10002 1 644 . 1 1 54 54 GLU CG C 13 36.496 0.400 . 1 . . . . 54 GLU CG . 10002 1 645 . 1 1 54 54 GLU N N 15 121.469 0.400 . 1 . . . . 54 GLU N . 10002 1 646 . 1 1 55 55 CYS H H 1 9.046 0.020 . 1 . . . . 55 CYS H . 10002 1 647 . 1 1 55 55 CYS HA H 1 4.653 0.020 . 1 . . . . 55 CYS HA . 10002 1 648 . 1 1 55 55 CYS HB2 H 1 3.296 0.020 . 2 . . . . 55 CYS HB2 . 10002 1 649 . 1 1 55 55 CYS HB3 H 1 2.677 0.020 . 2 . . . . 55 CYS HB3 . 10002 1 650 . 1 1 55 55 CYS CA C 13 53.331 0.400 . 1 . . . . 55 CYS CA . 10002 1 651 . 1 1 55 55 CYS CB C 13 40.619 0.400 . 1 . . . . 55 CYS CB . 10002 1 652 . 1 1 55 55 CYS N N 15 123.643 0.400 . 1 . . . . 55 CYS N . 10002 1 653 . 1 1 56 56 PRO HA H 1 4.225 0.020 . 1 . . . . 56 PRO HA . 10002 1 654 . 1 1 56 56 PRO HB2 H 1 2.190 0.020 . 2 . . . . 56 PRO HB2 . 10002 1 655 . 1 1 56 56 PRO HB3 H 1 1.872 0.020 . 2 . . . . 56 PRO HB3 . 10002 1 656 . 1 1 56 56 PRO HG2 H 1 1.958 0.020 . 1 . . . . 56 PRO HG2 . 10002 1 657 . 1 1 56 56 PRO HG3 H 1 1.958 0.020 . 1 . . . . 56 PRO HG3 . 10002 1 658 . 1 1 56 56 PRO HD2 H 1 3.776 0.020 . 1 . . . . 56 PRO HD2 . 10002 1 659 . 1 1 56 56 PRO HD3 H 1 3.776 0.020 . 1 . . . . 56 PRO HD3 . 10002 1 660 . 1 1 56 56 PRO CA C 13 65.076 0.400 . 1 . . . . 56 PRO CA . 10002 1 661 . 1 1 56 56 PRO CB C 13 32.337 0.400 . 1 . . . . 56 PRO CB . 10002 1 662 . 1 1 56 56 PRO CG C 13 27.561 0.400 . 1 . . . . 56 PRO CG . 10002 1 stop_ save_