data_6865 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6865 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structure determination of P.falciparum TRAP-TSR domain' 'Structure analysis' 'The data from the entry were used to determine the structure of P.falciparum TRAP-TSR domain' 6865 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6865 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6865 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for P. falciparum TRAP-TSR domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-18 _Entry.Accession_date 2005-10-18 _Entry.Last_release_date 2006-08-07 _Entry.Original_release_date 2006-08-07 _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 Helena Tossavainen . . . 6865 2 Perttu Permi . . . 6865 3 Ilkka Kilpelainen . . . 6865 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6865 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 150 6865 '15N chemical shifts' 51 6865 '1H chemical shifts' 304 6865 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 . . 2006-08-07 2005-10-18 original author . 6865 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6865 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16815922 _Citation.Full_citation . _Citation.Title 'The layered fold of the TSR domain of P. falciparum TRAP contains a heparin binding site' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 7 _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 1760 _Citation.Page_last 1768 _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 Helena Tossavainen . . . 6865 1 2 Tero Pihlajamaa . . . 6865 1 3 Toni Huttunen . K. . 6865 1 4 Erkki Raulo . . . 6865 1 5 Heikki Rauvala . . . 6865 1 6 Perttu Permi . . . 6865 1 7 Ilkka Kilpelainen . . . 6865 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 6865 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6865 _Assembly.ID 1 _Assembly.Name 'TRAP-TSR domain' _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 5500 _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 6865 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 'TRAP-TSR domain' 1 $TRAP-TSR_domain . . yes native no no . . . 6865 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . 6865 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 6865 1 3 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 6865 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRAP-TSR_domain _Entity.Sf_category entity _Entity.Sf_framecode TRAP-TSR_domain _Entity.Entry_ID 6865 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TRAP-TSR domain' _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 ; GSASCGVWDEWSPCSVTCGK GTRSRKREILHEGCTSEIQE QCEEERCPP ; _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 49 _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 2015-01-28 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 BMRB 16456 . TRAP-TSR . . . . . 100.00 49 100.00 100.00 3.18e-25 . . . . 6865 1 2 no PDB 2BBX . "Nmr Solution Structure Of The Tsr Domain Of Malaria Trap Protein" . . . . . 100.00 49 100.00 100.00 3.18e-25 . . . . 6865 1 3 no DBJ BAA31173 . "thrombospondin-related protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 8.32e-26 . . . . 6865 1 4 no DBJ BAA31174 . "thrombospondin-related protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 6.59e-26 . . . . 6865 1 5 no DBJ BAA31178 . "thrombospondin-related protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 8.15e-26 . . . . 6865 1 6 no DBJ BAA31191 . "thrombospondin-related protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 8.15e-26 . . . . 6865 1 7 no DBJ BAA31192 . "thrombospondin-related protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 8.24e-26 . . . . 6865 1 8 no EMBL CAA31440 . "unnamed protein product [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 1.41e-25 . . . . 6865 1 9 no EMBL CAE46497 . "trap [Plasmodium falciparum]" . . . . . 97.96 331 97.92 100.00 1.59e-27 . . . . 6865 1 10 no GB AAA29774 . "thrombospondin related anonymous protein [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 1.25e-25 . . . . 6865 1 11 no GB AAC18657 . "thrombospondin related adhesive protein [Plasmodium falciparum]" . . . . . 97.96 562 97.92 100.00 1.71e-25 . . . . 6865 1 12 no GB AAW78130 . "thrombospondin-related adhesive protein [Plasmodium falciparum]" . . . . . 97.96 539 97.92 100.00 2.74e-26 . . . . 6865 1 13 no GB AAW78131 . "thrombospondin-related adhesive protein [Plasmodium falciparum]" . . . . . 97.96 557 97.92 100.00 6.97e-26 . . . . 6865 1 14 no GB AAW78136 . "thrombospondin-related adhesive protein [Plasmodium falciparum]" . . . . . 97.96 542 97.92 100.00 5.35e-26 . . . . 6865 1 15 no PRF 1411304A . "thrombospondin related protein TRAP" . . . . . 97.96 559 97.92 100.00 1.48e-25 . . . . 6865 1 16 no PRF 1708291A . "thrombospondin related protein" . . . . . 97.96 559 97.92 100.00 1.27e-25 . . . . 6865 1 17 no SP P16893 . "RecName: Full=Thrombospondin-related anonymous protein; Flags: Precursor [Plasmodium falciparum]" . . . . . 97.96 559 97.92 100.00 1.41e-25 . . . . 6865 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 . 6865 1 2 . SER . 6865 1 3 . ALA . 6865 1 4 . SER . 6865 1 5 . CYS . 6865 1 6 . GLY . 6865 1 7 . VAL . 6865 1 8 . TRP . 6865 1 9 . ASP . 6865 1 10 . GLU . 6865 1 11 . TRP . 6865 1 12 . SER . 6865 1 13 . PRO . 6865 1 14 . CYS . 6865 1 15 . SER . 6865 1 16 . VAL . 6865 1 17 . THR . 6865 1 18 . CYS . 6865 1 19 . GLY . 6865 1 20 . LYS . 6865 1 21 . GLY . 6865 1 22 . THR . 6865 1 23 . ARG . 6865 1 24 . SER . 6865 1 25 . ARG . 6865 1 26 . LYS . 6865 1 27 . ARG . 6865 1 28 . GLU . 6865 1 29 . ILE . 6865 1 30 . LEU . 6865 1 31 . HIS . 6865 1 32 . GLU . 6865 1 33 . GLY . 6865 1 34 . CYS . 6865 1 35 . THR . 6865 1 36 . SER . 6865 1 37 . GLU . 6865 1 38 . ILE . 6865 1 39 . GLN . 6865 1 40 . GLU . 6865 1 41 . GLN . 6865 1 42 . CYS . 6865 1 43 . GLU . 6865 1 44 . GLU . 6865 1 45 . GLU . 6865 1 46 . ARG . 6865 1 47 . CYS . 6865 1 48 . PRO . 6865 1 49 . PRO . 6865 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 6865 1 . SER 2 2 6865 1 . ALA 3 3 6865 1 . SER 4 4 6865 1 . CYS 5 5 6865 1 . GLY 6 6 6865 1 . VAL 7 7 6865 1 . TRP 8 8 6865 1 . ASP 9 9 6865 1 . GLU 10 10 6865 1 . TRP 11 11 6865 1 . SER 12 12 6865 1 . PRO 13 13 6865 1 . CYS 14 14 6865 1 . SER 15 15 6865 1 . VAL 16 16 6865 1 . THR 17 17 6865 1 . CYS 18 18 6865 1 . GLY 19 19 6865 1 . LYS 20 20 6865 1 . GLY 21 21 6865 1 . THR 22 22 6865 1 . ARG 23 23 6865 1 . SER 24 24 6865 1 . ARG 25 25 6865 1 . LYS 26 26 6865 1 . ARG 27 27 6865 1 . GLU 28 28 6865 1 . ILE 29 29 6865 1 . LEU 30 30 6865 1 . HIS 31 31 6865 1 . GLU 32 32 6865 1 . GLY 33 33 6865 1 . CYS 34 34 6865 1 . THR 35 35 6865 1 . SER 36 36 6865 1 . GLU 37 37 6865 1 . ILE 38 38 6865 1 . GLN 39 39 6865 1 . GLU 40 40 6865 1 . GLN 41 41 6865 1 . CYS 42 42 6865 1 . GLU 43 43 6865 1 . GLU 44 44 6865 1 . GLU 45 45 6865 1 . ARG 46 46 6865 1 . CYS 47 47 6865 1 . PRO 48 48 6865 1 . PRO 49 49 6865 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 6865 _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 $TRAP-TSR_domain . 5833 . no . 'Plasmodium falciparum' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . 6865 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 6865 _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 $TRAP-TSR_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6865 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6865 _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 'TRAP-TSR domain' '[U-13C; U-15N]' . . 1 $TRAP-TSR_domain . protein 0.5 . . mM . . . . 6865 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6865 _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 6.6 0.05 pH 6865 1 temperature 283 1 K 6865 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6865 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.106 _Software.Details Goddard_TD_and_Kneller_DG._Sparky_3._University_of_California,_San_Francisco loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6865 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6865 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6865 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6865 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 2 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 4 CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 5 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 6 1H-15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 7 1H-13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6865 1 stop_ save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CC(CO)NH _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CC(CO)NH _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-COSY _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N-HSQC _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H-15N-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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-13C-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C-HSQC _NMR_spec_expt.Entry_ID 6865 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 1H-13C-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 1 _NMR_spec_expt.Software_label $software_1 _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_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6865 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6865 1 H 1 H2O protons . . . . ppm 4.92 internal direct 1.0 . . . . . . . . . 6865 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6865 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6865 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 6865 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 4.363 0.020 . 1 . . . . 2 SER HA . 6865 1 2 . 1 1 2 2 SER HB2 H 1 3.772 0.020 . 2 . . . . 2 SER HB2 . 6865 1 3 . 1 1 2 2 SER HB3 H 1 3.740 0.020 . 2 . . . . 2 SER HB3 . 6865 1 4 . 1 1 2 2 SER CA C 13 57.192 0.200 . 1 . . . . 2 SER CA . 6865 1 5 . 1 1 2 2 SER CB C 13 62.688 0.200 . 1 . . . . 2 SER CB . 6865 1 6 . 1 1 3 3 ALA H H 1 8.503 0.020 . 1 . . . . 3 ALA H . 6865 1 7 . 1 1 3 3 ALA HA H 1 4.226 0.020 . 1 . . . . 3 ALA HA . 6865 1 8 . 1 1 3 3 ALA HB1 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 9 . 1 1 3 3 ALA HB2 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 10 . 1 1 3 3 ALA HB3 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 11 . 1 1 3 3 ALA CA C 13 51.358 0.200 . 1 . . . . 3 ALA CA . 6865 1 12 . 1 1 3 3 ALA CB C 13 17.785 0.200 . 1 . . . . 3 ALA CB . 6865 1 13 . 1 1 3 3 ALA N N 15 126.298 0.200 . 1 . . . . 3 ALA N . 6865 1 14 . 1 1 4 4 SER H H 1 8.295 0.020 . 1 . . . . 4 SER H . 6865 1 15 . 1 1 4 4 SER HA H 1 4.270 0.020 . 1 . . . . 4 SER HA . 6865 1 16 . 1 1 4 4 SER HB2 H 1 3.835 0.020 . 2 . . . . 4 SER HB2 . 6865 1 17 . 1 1 4 4 SER HB3 H 1 3.711 0.020 . 2 . . . . 4 SER HB3 . 6865 1 18 . 1 1 4 4 SER CA C 13 57.380 0.200 . 1 . . . . 4 SER CA . 6865 1 19 . 1 1 4 4 SER CB C 13 62.157 0.200 . 1 . . . . 4 SER CB . 6865 1 20 . 1 1 4 4 SER N N 15 115.631 0.200 . 1 . . . . 4 SER N . 6865 1 21 . 1 1 5 5 CYS N N 15 119.340 0.200 . 1 . . . . 5 CYSS N . 6865 1 22 . 1 1 5 5 CYS H H 1 8.539 0.020 . 1 . . . . 5 CYSS H . 6865 1 23 . 1 1 5 5 CYS CA C 13 54.785 0.200 . 1 . . . . 5 CYSS CA . 6865 1 24 . 1 1 5 5 CYS HA H 1 4.469 0.020 . 1 . . . . 5 CYSS HA . 6865 1 25 . 1 1 5 5 CYS CB C 13 38.737 0.200 . 1 . . . . 5 CYSS CB . 6865 1 26 . 1 1 5 5 CYS HB2 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB2 . 6865 1 27 . 1 1 5 5 CYS HB3 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB3 . 6865 1 28 . 1 1 6 6 GLY H H 1 7.945 0.020 . 1 . . . . 6 GLY H . 6865 1 29 . 1 1 6 6 GLY HA2 H 1 4.211 0.020 . 2 . . . . 6 GLY HA2 . 6865 1 30 . 1 1 6 6 GLY HA3 H 1 3.513 0.020 . 2 . . . . 6 GLY HA3 . 6865 1 31 . 1 1 6 6 GLY CA C 13 42.590 0.200 . 1 . . . . 6 GLY CA . 6865 1 32 . 1 1 6 6 GLY N N 15 108.378 0.200 . 1 . . . . 6 GLY N . 6865 1 33 . 1 1 7 7 VAL H H 1 8.187 0.020 . 1 . . . . 7 VAL H . 6865 1 34 . 1 1 7 7 VAL HA H 1 3.855 0.020 . 1 . . . . 7 VAL HA . 6865 1 35 . 1 1 7 7 VAL HB H 1 1.914 0.020 . 1 . . . . 7 VAL HB . 6865 1 36 . 1 1 7 7 VAL HG11 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 37 . 1 1 7 7 VAL HG12 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 38 . 1 1 7 7 VAL HG13 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 39 . 1 1 7 7 VAL HG21 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 40 . 1 1 7 7 VAL HG22 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 41 . 1 1 7 7 VAL HG23 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 42 . 1 1 7 7 VAL CA C 13 60.462 0.200 . 1 . . . . 7 VAL CA . 6865 1 43 . 1 1 7 7 VAL CB C 13 31.906 0.200 . 1 . . . . 7 VAL CB . 6865 1 44 . 1 1 7 7 VAL CG1 C 13 19.909 0.200 . 1 . . . . 7 VAL CG1 . 6865 1 45 . 1 1 7 7 VAL CG2 C 13 19.053 0.200 . 1 . . . . 7 VAL CG2 . 6865 1 46 . 1 1 7 7 VAL N N 15 119.992 0.200 . 1 . . . . 7 VAL N . 6865 1 47 . 1 1 8 8 TRP H H 1 8.001 0.020 . 1 . . . . 8 TRP H . 6865 1 48 . 1 1 8 8 TRP HA H 1 4.173 0.020 . 1 . . . . 8 TRP HA . 6865 1 49 . 1 1 8 8 TRP HB2 H 1 2.629 0.020 . 2 . . . . 8 TRP HB2 . 6865 1 50 . 1 1 8 8 TRP HB3 H 1 3.017 0.020 . 2 . . . . 8 TRP HB3 . 6865 1 51 . 1 1 8 8 TRP HD1 H 1 7.098 0.020 . 1 . . . . 8 TRP HD1 . 6865 1 52 . 1 1 8 8 TRP HE1 H 1 9.832 0.020 . 1 . . . . 8 TRP HE1 . 6865 1 53 . 1 1 8 8 TRP HE3 H 1 6.831 0.020 . 1 . . . . 8 TRP HE3 . 6865 1 54 . 1 1 8 8 TRP HZ2 H 1 7.096 0.020 . 1 . . . . 8 TRP HZ2 . 6865 1 55 . 1 1 8 8 TRP HZ3 H 1 6.493 0.020 . 1 . . . . 8 TRP HZ3 . 6865 1 56 . 1 1 8 8 TRP HH2 H 1 6.484 0.020 . 1 . . . . 8 TRP HH2 . 6865 1 57 . 1 1 8 8 TRP CA C 13 56.462 0.200 . 1 . . . . 8 TRP CA . 6865 1 58 . 1 1 8 8 TRP CB C 13 29.729 0.200 . 1 . . . . 8 TRP CB . 6865 1 59 . 1 1 8 8 TRP CD1 C 13 126.243 0.200 . 1 . . . . 8 TRP CD1 . 6865 1 60 . 1 1 8 8 TRP CE3 C 13 117.474 0.200 . 1 . . . . 8 TRP CE3 . 6865 1 61 . 1 1 8 8 TRP CZ2 C 13 112.988 0.200 . 1 . . . . 8 TRP CZ2 . 6865 1 62 . 1 1 8 8 TRP CZ3 C 13 120.771 0.200 . 1 . . . . 8 TRP CZ3 . 6865 1 63 . 1 1 8 8 TRP CH2 C 13 122.794 0.200 . 1 . . . . 8 TRP CH2 . 6865 1 64 . 1 1 8 8 TRP N N 15 125.018 0.200 . 1 . . . . 8 TRP N . 6865 1 65 . 1 1 8 8 TRP NE1 N 15 128.801 0.200 . 1 . . . . 8 TRP NE1 . 6865 1 66 . 1 1 9 9 ASP H H 1 8.494 0.020 . 1 . . . . 9 ASP H . 6865 1 67 . 1 1 9 9 ASP HA H 1 4.643 0.020 . 1 . . . . 9 ASP HA . 6865 1 68 . 1 1 9 9 ASP HB2 H 1 2.993 0.020 . 2 . . . . 9 ASP HB2 . 6865 1 69 . 1 1 9 9 ASP HB3 H 1 2.898 0.020 . 2 . . . . 9 ASP HB3 . 6865 1 70 . 1 1 9 9 ASP CA C 13 52.549 0.200 . 1 . . . . 9 ASP CA . 6865 1 71 . 1 1 9 9 ASP CB C 13 39.966 0.200 . 1 . . . . 9 ASP CB . 6865 1 72 . 1 1 9 9 ASP N N 15 121.698 0.200 . 1 . . . . 9 ASP N . 6865 1 73 . 1 1 10 10 GLU H H 1 8.393 0.020 . 1 . . . . 10 GLU H . 6865 1 74 . 1 1 10 10 GLU HA H 1 4.052 0.020 . 1 . . . . 10 GLU HA . 6865 1 75 . 1 1 10 10 GLU HB2 H 1 2.028 0.020 . 2 . . . . 10 GLU HB2 . 6865 1 76 . 1 1 10 10 GLU HB3 H 1 1.863 0.020 . 2 . . . . 10 GLU HB3 . 6865 1 77 . 1 1 10 10 GLU HG2 H 1 2.452 0.020 . 2 . . . . 10 GLU HG2 . 6865 1 78 . 1 1 10 10 GLU HG3 H 1 2.327 0.020 . 2 . . . . 10 GLU HG3 . 6865 1 79 . 1 1 10 10 GLU CA C 13 55.193 0.200 . 1 . . . . 10 GLU CA . 6865 1 80 . 1 1 10 10 GLU CB C 13 29.068 0.200 . 1 . . . . 10 GLU CB . 6865 1 81 . 1 1 10 10 GLU CG C 13 34.873 0.200 . 1 . . . . 10 GLU CG . 6865 1 82 . 1 1 10 10 GLU N N 15 117.440 0.200 . 1 . . . . 10 GLU N . 6865 1 83 . 1 1 11 11 TRP H H 1 8.281 0.020 . 1 . . . . 11 TRP H . 6865 1 84 . 1 1 11 11 TRP HA H 1 4.378 0.020 . 1 . . . . 11 TRP HA . 6865 1 85 . 1 1 11 11 TRP HB2 H 1 2.829 0.020 . 2 . . . . 11 TRP HB2 . 6865 1 86 . 1 1 11 11 TRP HB3 H 1 3.244 0.020 . 2 . . . . 11 TRP HB3 . 6865 1 87 . 1 1 11 11 TRP HD1 H 1 7.191 0.020 . 1 . . . . 11 TRP HD1 . 6865 1 88 . 1 1 11 11 TRP HE1 H 1 9.922 0.020 . 1 . . . . 11 TRP HE1 . 6865 1 89 . 1 1 11 11 TRP HE3 H 1 7.061 0.020 . 1 . . . . 11 TRP HE3 . 6865 1 90 . 1 1 11 11 TRP HZ2 H 1 7.017 0.020 . 1 . . . . 11 TRP HZ2 . 6865 1 91 . 1 1 11 11 TRP HZ3 H 1 6.644 0.020 . 1 . . . . 11 TRP HZ3 . 6865 1 92 . 1 1 11 11 TRP HH2 H 1 6.561 0.020 . 1 . . . . 11 TRP HH2 . 6865 1 93 . 1 1 11 11 TRP CA C 13 57.282 0.200 . 1 . . . . 11 TRP CA . 6865 1 94 . 1 1 11 11 TRP CB C 13 29.921 0.200 . 1 . . . . 11 TRP CB . 6865 1 95 . 1 1 11 11 TRP CD1 C 13 126.841 0.200 . 1 . . . . 11 TRP CD1 . 6865 1 96 . 1 1 11 11 TRP CE3 C 13 118.410 0.200 . 1 . . . . 11 TRP CE3 . 6865 1 97 . 1 1 11 11 TRP CZ2 C 13 113.605 0.200 . 1 . . . . 11 TRP CZ2 . 6865 1 98 . 1 1 11 11 TRP CZ3 C 13 120.551 0.200 . 1 . . . . 11 TRP CZ3 . 6865 1 99 . 1 1 11 11 TRP CH2 C 13 122.683 0.200 . 1 . . . . 11 TRP CH2 . 6865 1 100 . 1 1 11 11 TRP N N 15 121.713 0.200 . 1 . . . . 11 TRP N . 6865 1 101 . 1 1 11 11 TRP NE1 N 15 129.598 0.200 . 1 . . . . 11 TRP NE1 . 6865 1 102 . 1 1 12 12 SER H H 1 9.433 0.020 . 1 . . . . 12 SER H . 6865 1 103 . 1 1 12 12 SER HA H 1 4.731 0.020 . 1 . . . . 12 SER HA . 6865 1 104 . 1 1 12 12 SER HB2 H 1 4.461 0.020 . 2 . . . . 12 SER HB2 . 6865 1 105 . 1 1 12 12 SER HB3 H 1 4.121 0.020 . 2 . . . . 12 SER HB3 . 6865 1 106 . 1 1 12 12 SER CA C 13 56.645 0.200 . 1 . . . . 12 SER CA . 6865 1 107 . 1 1 12 12 SER CB C 13 62.027 0.200 . 1 . . . . 12 SER CB . 6865 1 108 . 1 1 12 12 SER N N 15 119.369 0.200 . 1 . . . . 12 SER N . 6865 1 109 . 1 1 13 13 PRO HA H 1 4.486 0.020 . 1 . . . . 13 PRO HA . 6865 1 110 . 1 1 13 13 PRO HB2 H 1 1.710 0.020 . 2 . . . . 13 PRO HB2 . 6865 1 111 . 1 1 13 13 PRO HB3 H 1 2.320 0.020 . 2 . . . . 13 PRO HB3 . 6865 1 112 . 1 1 13 13 PRO HG2 H 1 1.944 0.020 . 1 . . . . 13 PRO HG2 . 6865 1 113 . 1 1 13 13 PRO HG3 H 1 1.944 0.020 . 1 . . . . 13 PRO HG3 . 6865 1 114 . 1 1 13 13 PRO HD2 H 1 3.617 0.020 . 2 . . . . 13 PRO HD2 . 6865 1 115 . 1 1 13 13 PRO HD3 H 1 3.841 0.020 . 2 . . . . 13 PRO HD3 . 6865 1 116 . 1 1 13 13 PRO CA C 13 61.495 0.200 . 1 . . . . 13 PRO CA . 6865 1 117 . 1 1 13 13 PRO CB C 13 30.773 0.200 . 1 . . . . 13 PRO CB . 6865 1 118 . 1 1 13 13 PRO CG C 13 26.638 0.200 . 1 . . . . 13 PRO CG . 6865 1 119 . 1 1 13 13 PRO CD C 13 49.085 0.200 . 1 . . . . 13 PRO CD . 6865 1 120 . 1 1 14 14 CYS N N 15 123.390 0.200 . 1 . . . . 14 CYSS N . 6865 1 121 . 1 1 14 14 CYS H H 1 9.057 0.020 . 1 . . . . 14 CYSS H . 6865 1 122 . 1 1 14 14 CYS CA C 13 54.734 0.200 . 1 . . . . 14 CYSS CA . 6865 1 123 . 1 1 14 14 CYS HA H 1 4.423 0.020 . 1 . . . . 14 CYSS HA . 6865 1 124 . 1 1 14 14 CYS CB C 13 38.566 0.200 . 1 . . . . 14 CYSS CB . 6865 1 125 . 1 1 14 14 CYS HB2 H 1 3.186 0.020 . 2 . . . . 14 CYSS HB2 . 6865 1 126 . 1 1 14 14 CYS HB3 H 1 2.861 0.020 . 2 . . . . 14 CYSS HB3 . 6865 1 127 . 1 1 15 15 SER H H 1 8.786 0.020 . 1 . . . . 15 SER H . 6865 1 128 . 1 1 15 15 SER HA H 1 4.025 0.020 . 1 . . . . 15 SER HA . 6865 1 129 . 1 1 15 15 SER HB2 H 1 4.111 0.020 . 2 . . . . 15 SER HB2 . 6865 1 130 . 1 1 15 15 SER HB3 H 1 4.047 0.020 . 2 . . . . 15 SER HB3 . 6865 1 131 . 1 1 15 15 SER HG H 1 6.369 0.020 . 1 . . . . 15 SER HG . 6865 1 132 . 1 1 15 15 SER CA C 13 60.025 0.200 . 1 . . . . 15 SER CA . 6865 1 133 . 1 1 15 15 SER CB C 13 61.388 0.200 . 1 . . . . 15 SER CB . 6865 1 134 . 1 1 15 15 SER N N 15 122.637 0.200 . 1 . . . . 15 SER N . 6865 1 135 . 1 1 16 16 VAL H H 1 6.751 0.020 . 1 . . . . 16 VAL H . 6865 1 136 . 1 1 16 16 VAL HA H 1 4.723 0.020 . 1 . . . . 16 VAL HA . 6865 1 137 . 1 1 16 16 VAL HB H 1 2.216 0.020 . 1 . . . . 16 VAL HB . 6865 1 138 . 1 1 16 16 VAL HG11 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 139 . 1 1 16 16 VAL HG12 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 140 . 1 1 16 16 VAL HG13 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 141 . 1 1 16 16 VAL HG21 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 142 . 1 1 16 16 VAL HG22 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 143 . 1 1 16 16 VAL HG23 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 144 . 1 1 16 16 VAL CA C 13 57.400 0.200 . 1 . . . . 16 VAL CA . 6865 1 145 . 1 1 16 16 VAL CB C 13 34.125 0.200 . 1 . . . . 16 VAL CB . 6865 1 146 . 1 1 16 16 VAL CG1 C 13 20.875 0.200 . 1 . . . . 16 VAL CG1 . 6865 1 147 . 1 1 16 16 VAL CG2 C 13 17.183 0.200 . 1 . . . . 16 VAL CG2 . 6865 1 148 . 1 1 16 16 VAL N N 15 112.660 0.200 . 1 . . . . 16 VAL N . 6865 1 149 . 1 1 17 17 THR H H 1 8.474 0.020 . 1 . . . . 17 THR H . 6865 1 150 . 1 1 17 17 THR HA H 1 4.124 0.020 . 1 . . . . 17 THR HA . 6865 1 151 . 1 1 17 17 THR HB H 1 4.211 0.020 . 1 . . . . 17 THR HB . 6865 1 152 . 1 1 17 17 THR HG21 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 153 . 1 1 17 17 THR HG22 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 154 . 1 1 17 17 THR HG23 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 155 . 1 1 17 17 THR CA C 13 60.923 0.200 . 1 . . . . 17 THR CA . 6865 1 156 . 1 1 17 17 THR CB C 13 67.943 0.200 . 1 . . . . 17 THR CB . 6865 1 157 . 1 1 17 17 THR CG2 C 13 20.671 0.200 . 1 . . . . 17 THR CG2 . 6865 1 158 . 1 1 17 17 THR N N 15 109.541 0.200 . 1 . . . . 17 THR N . 6865 1 159 . 1 1 18 18 CYS N N 15 116.067 0.200 . 1 . . . . 18 CYSS N . 6865 1 160 . 1 1 18 18 CYS H H 1 7.353 0.020 . 1 . . . . 18 CYSS H . 6865 1 161 . 1 1 18 18 CYS CA C 13 53.151 0.200 . 1 . . . . 18 CYSS CA . 6865 1 162 . 1 1 18 18 CYS HA H 1 4.832 0.020 . 1 . . . . 18 CYSS HA . 6865 1 163 . 1 1 18 18 CYS CB C 13 42.786 0.200 . 1 . . . . 18 CYSS CB . 6865 1 164 . 1 1 18 18 CYS HB2 H 1 2.992 0.020 . 2 . . . . 18 CYSS HB2 . 6865 1 165 . 1 1 18 18 CYS HB3 H 1 3.053 0.020 . 2 . . . . 18 CYSS HB3 . 6865 1 166 . 1 1 19 19 GLY H H 1 8.499 0.020 . 1 . . . . 19 GLY H . 6865 1 167 . 1 1 19 19 GLY HA2 H 1 4.044 0.020 . 2 . . . . 19 GLY HA2 . 6865 1 168 . 1 1 19 19 GLY HA3 H 1 3.710 0.020 . 2 . . . . 19 GLY HA3 . 6865 1 169 . 1 1 19 19 GLY CA C 13 43.702 0.200 . 1 . . . . 19 GLY CA . 6865 1 170 . 1 1 19 19 GLY N N 15 111.529 0.200 . 1 . . . . 19 GLY N . 6865 1 171 . 1 1 20 20 LYS H H 1 8.191 0.020 . 1 . . . . 20 LYS H . 6865 1 172 . 1 1 20 20 LYS HA H 1 4.708 0.020 . 1 . . . . 20 LYS HA . 6865 1 173 . 1 1 20 20 LYS HB2 H 1 1.745 0.020 . 2 . . . . 20 LYS HB2 . 6865 1 174 . 1 1 20 20 LYS HB3 H 1 1.649 0.020 . 2 . . . . 20 LYS HB3 . 6865 1 175 . 1 1 20 20 LYS HG2 H 1 1.387 0.020 . 2 . . . . 20 LYS HG2 . 6865 1 176 . 1 1 20 20 LYS HG3 H 1 1.216 0.020 . 2 . . . . 20 LYS HG3 . 6865 1 177 . 1 1 20 20 LYS HD2 H 1 1.527 0.020 . 1 . . . . 20 LYS HD2 . 6865 1 178 . 1 1 20 20 LYS HD3 H 1 1.527 0.020 . 1 . . . . 20 LYS HD3 . 6865 1 179 . 1 1 20 20 LYS HE2 H 1 2.816 0.020 . 1 . . . . 20 LYS HE2 . 6865 1 180 . 1 1 20 20 LYS HE3 H 1 2.816 0.020 . 1 . . . . 20 LYS HE3 . 6865 1 181 . 1 1 20 20 LYS CA C 13 55.304 0.200 . 1 . . . . 20 LYS CA . 6865 1 182 . 1 1 20 20 LYS CB C 13 32.965 0.200 . 1 . . . . 20 LYS CB . 6865 1 183 . 1 1 20 20 LYS CG C 13 24.334 0.200 . 1 . . . . 20 LYS CG . 6865 1 184 . 1 1 20 20 LYS CD C 13 28.189 0.200 . 1 . . . . 20 LYS CD . 6865 1 185 . 1 1 20 20 LYS CE C 13 40.886 0.200 . 1 . . . . 20 LYS CE . 6865 1 186 . 1 1 20 20 LYS N N 15 119.087 0.200 . 1 . . . . 20 LYS N . 6865 1 187 . 1 1 21 21 GLY H H 1 8.783 0.020 . 1 . . . . 21 GLY H . 6865 1 188 . 1 1 21 21 GLY HA2 H 1 4.361 0.020 . 2 . . . . 21 GLY HA2 . 6865 1 189 . 1 1 21 21 GLY HA3 H 1 3.752 0.020 . 2 . . . . 21 GLY HA3 . 6865 1 190 . 1 1 21 21 GLY CA C 13 43.889 0.200 . 1 . . . . 21 GLY CA . 6865 1 191 . 1 1 21 21 GLY N N 15 112.501 0.200 . 1 . . . . 21 GLY N . 6865 1 192 . 1 1 22 22 THR H H 1 9.107 0.020 . 1 . . . . 22 THR H . 6865 1 193 . 1 1 22 22 THR HA H 1 5.209 0.020 . 1 . . . . 22 THR HA . 6865 1 194 . 1 1 22 22 THR HB H 1 3.922 0.020 . 1 . . . . 22 THR HB . 6865 1 195 . 1 1 22 22 THR HG21 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 196 . 1 1 22 22 THR HG22 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 197 . 1 1 22 22 THR HG23 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 198 . 1 1 22 22 THR CA C 13 59.595 0.200 . 1 . . . . 22 THR CA . 6865 1 199 . 1 1 22 22 THR CB C 13 71.701 0.200 . 1 . . . . 22 THR CB . 6865 1 200 . 1 1 22 22 THR CG2 C 13 20.397 0.200 . 1 . . . . 22 THR CG2 . 6865 1 201 . 1 1 22 22 THR N N 15 116.052 0.200 . 1 . . . . 22 THR N . 6865 1 202 . 1 1 23 23 ARG H H 1 9.078 0.020 . 1 . . . . 23 ARG H . 6865 1 203 . 1 1 23 23 ARG HA H 1 4.757 0.020 . 1 . . . . 23 ARG HA . 6865 1 204 . 1 1 23 23 ARG HB2 H 1 1.988 0.020 . 2 . . . . 23 ARG HB2 . 6865 1 205 . 1 1 23 23 ARG HB3 H 1 1.641 0.020 . 2 . . . . 23 ARG HB3 . 6865 1 206 . 1 1 23 23 ARG HG2 H 1 0.983 0.020 . 2 . . . . 23 ARG HG2 . 6865 1 207 . 1 1 23 23 ARG HG3 H 1 1.125 0.020 . 2 . . . . 23 ARG HG3 . 6865 1 208 . 1 1 23 23 ARG HD2 H 1 2.574 0.020 . 1 . . . . 23 ARG HD2 . 6865 1 209 . 1 1 23 23 ARG HD3 H 1 2.574 0.020 . 1 . . . . 23 ARG HD3 . 6865 1 210 . 1 1 23 23 ARG HE H 1 5.721 0.020 . 1 . . . . 23 ARG HE . 6865 1 211 . 1 1 23 23 ARG CA C 13 53.309 0.200 . 1 . . . . 23 ARG CA . 6865 1 212 . 1 1 23 23 ARG CB C 13 32.861 0.200 . 1 . . . . 23 ARG CB . 6865 1 213 . 1 1 23 23 ARG CG C 13 23.670 0.200 . 1 . . . . 23 ARG CG . 6865 1 214 . 1 1 23 23 ARG CD C 13 43.100 0.200 . 1 . . . . 23 ARG CD . 6865 1 215 . 1 1 23 23 ARG N N 15 118.656 0.200 . 1 . . . . 23 ARG N . 6865 1 216 . 1 1 23 23 ARG NE N 15 109.440 0.200 . 1 . . . . 23 ARG NE . 6865 1 217 . 1 1 24 24 SER H H 1 8.861 0.020 . 1 . . . . 24 SER H . 6865 1 218 . 1 1 24 24 SER HA H 1 5.975 0.020 . 1 . . . . 24 SER HA . 6865 1 219 . 1 1 24 24 SER HB2 H 1 3.843 0.020 . 2 . . . . 24 SER HB2 . 6865 1 220 . 1 1 24 24 SER HB3 H 1 3.782 0.020 . 2 . . . . 24 SER HB3 . 6865 1 221 . 1 1 24 24 SER CA C 13 56.053 0.200 . 1 . . . . 24 SER CA . 6865 1 222 . 1 1 24 24 SER CB C 13 66.634 0.200 . 1 . . . . 24 SER CB . 6865 1 223 . 1 1 24 24 SER N N 15 113.336 0.200 . 1 . . . . 24 SER N . 6865 1 224 . 1 1 25 25 ARG H H 1 8.602 0.020 . 1 . . . . 25 ARG H . 6865 1 225 . 1 1 25 25 ARG HA H 1 4.630 0.020 . 1 . . . . 25 ARG HA . 6865 1 226 . 1 1 25 25 ARG HB2 H 1 0.619 0.020 . 2 . . . . 25 ARG HB2 . 6865 1 227 . 1 1 25 25 ARG HB3 H 1 0.817 0.020 . 2 . . . . 25 ARG HB3 . 6865 1 228 . 1 1 25 25 ARG HG2 H 1 0.258 0.020 . 2 . . . . 25 ARG HG2 . 6865 1 229 . 1 1 25 25 ARG HG3 H 1 0.168 0.020 . 2 . . . . 25 ARG HG3 . 6865 1 230 . 1 1 25 25 ARG HD2 H 1 1.059 0.020 . 2 . . . . 25 ARG HD2 . 6865 1 231 . 1 1 25 25 ARG HD3 H 1 0.824 0.020 . 2 . . . . 25 ARG HD3 . 6865 1 232 . 1 1 25 25 ARG CA C 13 53.499 0.200 . 1 . . . . 25 ARG CA . 6865 1 233 . 1 1 25 25 ARG CB C 13 32.178 0.200 . 1 . . . . 25 ARG CB . 6865 1 234 . 1 1 25 25 ARG CG C 13 24.003 0.200 . 1 . . . . 25 ARG CG . 6865 1 235 . 1 1 25 25 ARG CD C 13 41.555 0.200 . 1 . . . . 25 ARG CD . 6865 1 236 . 1 1 25 25 ARG N N 15 120.516 0.200 . 1 . . . . 25 ARG N . 6865 1 237 . 1 1 26 26 LYS H H 1 8.133 0.020 . 1 . . . . 26 LYS H . 6865 1 238 . 1 1 26 26 LYS HA H 1 5.617 0.020 . 1 . . . . 26 LYS HA . 6865 1 239 . 1 1 26 26 LYS HB2 H 1 1.929 0.020 . 2 . . . . 26 LYS HB2 . 6865 1 240 . 1 1 26 26 LYS HB3 H 1 1.757 0.020 . 2 . . . . 26 LYS HB3 . 6865 1 241 . 1 1 26 26 LYS HG2 H 1 1.411 0.020 . 2 . . . . 26 LYS HG2 . 6865 1 242 . 1 1 26 26 LYS HG3 H 1 1.364 0.020 . 2 . . . . 26 LYS HG3 . 6865 1 243 . 1 1 26 26 LYS HD2 H 1 1.607 0.020 . 1 . . . . 26 LYS HD2 . 6865 1 244 . 1 1 26 26 LYS HD3 H 1 1.607 0.020 . 1 . . . . 26 LYS HD3 . 6865 1 245 . 1 1 26 26 LYS HE2 H 1 2.887 0.020 . 1 . . . . 26 LYS HE2 . 6865 1 246 . 1 1 26 26 LYS HE3 H 1 2.887 0.020 . 1 . . . . 26 LYS HE3 . 6865 1 247 . 1 1 26 26 LYS CA C 13 53.680 0.200 . 1 . . . . 26 LYS CA . 6865 1 248 . 1 1 26 26 LYS CB C 13 36.151 0.200 . 1 . . . . 26 LYS CB . 6865 1 249 . 1 1 26 26 LYS CG C 13 23.762 0.200 . 1 . . . . 26 LYS CG . 6865 1 250 . 1 1 26 26 LYS CD C 13 28.241 0.200 . 1 . . . . 26 LYS CD . 6865 1 251 . 1 1 26 26 LYS CE C 13 40.913 0.200 . 1 . . . . 26 LYS CE . 6865 1 252 . 1 1 26 26 LYS N N 15 119.978 0.200 . 1 . . . . 26 LYS N . 6865 1 253 . 1 1 27 27 ARG H H 1 8.050 0.020 . 1 . . . . 27 ARG H . 6865 1 254 . 1 1 27 27 ARG HA H 1 4.510 0.020 . 1 . . . . 27 ARG HA . 6865 1 255 . 1 1 27 27 ARG HB2 H 1 1.195 0.020 . 2 . . . . 27 ARG HB2 . 6865 1 256 . 1 1 27 27 ARG HB3 H 1 1.142 0.020 . 2 . . . . 27 ARG HB3 . 6865 1 257 . 1 1 27 27 ARG HG2 H 1 0.766 0.020 . 2 . . . . 27 ARG HG2 . 6865 1 258 . 1 1 27 27 ARG HG3 H 1 0.505 0.020 . 2 . . . . 27 ARG HG3 . 6865 1 259 . 1 1 27 27 ARG HD2 H 1 0.271 0.020 . 2 . . . . 27 ARG HD2 . 6865 1 260 . 1 1 27 27 ARG HD3 H 1 1.780 0.020 . 2 . . . . 27 ARG HD3 . 6865 1 261 . 1 1 27 27 ARG HE H 1 5.952 0.020 . 1 . . . . 27 ARG HE . 6865 1 262 . 1 1 27 27 ARG CA C 13 53.346 0.200 . 1 . . . . 27 ARG CA . 6865 1 263 . 1 1 27 27 ARG CB C 13 32.351 0.200 . 1 . . . . 27 ARG CB . 6865 1 264 . 1 1 27 27 ARG CG C 13 23.120 0.200 . 1 . . . . 27 ARG CG . 6865 1 265 . 1 1 27 27 ARG CD C 13 42.008 0.200 . 1 . . . . 27 ARG CD . 6865 1 266 . 1 1 27 27 ARG N N 15 113.848 0.200 . 1 . . . . 27 ARG N . 6865 1 267 . 1 1 27 27 ARG NE N 15 112.640 0.200 . 1 . . . . 27 ARG NE . 6865 1 268 . 1 1 28 28 GLU H H 1 8.287 0.020 . 1 . . . . 28 GLU H . 6865 1 269 . 1 1 28 28 GLU HA H 1 4.180 0.020 . 1 . . . . 28 GLU HA . 6865 1 270 . 1 1 28 28 GLU HB2 H 1 1.779 0.020 . 2 . . . . 28 GLU HB2 . 6865 1 271 . 1 1 28 28 GLU HB3 H 1 1.723 0.020 . 2 . . . . 28 GLU HB3 . 6865 1 272 . 1 1 28 28 GLU HG2 H 1 2.141 0.020 . 2 . . . . 28 GLU HG2 . 6865 1 273 . 1 1 28 28 GLU HG3 H 1 2.037 0.020 . 2 . . . . 28 GLU HG3 . 6865 1 274 . 1 1 28 28 GLU CA C 13 54.134 0.200 . 1 . . . . 28 GLU CA . 6865 1 275 . 1 1 28 28 GLU CB C 13 28.317 0.200 . 1 . . . . 28 GLU CB . 6865 1 276 . 1 1 28 28 GLU CG C 13 34.853 0.200 . 1 . . . . 28 GLU CG . 6865 1 277 . 1 1 28 28 GLU N N 15 121.213 0.200 . 1 . . . . 28 GLU N . 6865 1 278 . 1 1 29 29 ILE H H 1 8.163 0.020 . 1 . . . . 29 ILE H . 6865 1 279 . 1 1 29 29 ILE HA H 1 4.012 0.020 . 1 . . . . 29 ILE HA . 6865 1 280 . 1 1 29 29 ILE HB H 1 1.564 0.020 . 1 . . . . 29 ILE HB . 6865 1 281 . 1 1 29 29 ILE HG12 H 1 1.319 0.020 . 2 . . . . 29 ILE HG12 . 6865 1 282 . 1 1 29 29 ILE HG13 H 1 0.930 0.020 . 2 . . . . 29 ILE HG13 . 6865 1 283 . 1 1 29 29 ILE HG21 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 284 . 1 1 29 29 ILE HG22 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 285 . 1 1 29 29 ILE HG23 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 286 . 1 1 29 29 ILE HD11 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 287 . 1 1 29 29 ILE HD12 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 288 . 1 1 29 29 ILE HD13 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 289 . 1 1 29 29 ILE CA C 13 60.251 0.200 . 1 . . . . 29 ILE CA . 6865 1 290 . 1 1 29 29 ILE CB C 13 38.236 0.200 . 1 . . . . 29 ILE CB . 6865 1 291 . 1 1 29 29 ILE CG1 C 13 24.994 0.200 . 1 . . . . 29 ILE CG1 . 6865 1 292 . 1 1 29 29 ILE CG2 C 13 18.196 0.200 . 1 . . . . 29 ILE CG2 . 6865 1 293 . 1 1 29 29 ILE CD1 C 13 12.424 0.200 . 1 . . . . 29 ILE CD1 . 6865 1 294 . 1 1 29 29 ILE N N 15 120.177 0.200 . 1 . . . . 29 ILE N . 6865 1 295 . 1 1 30 30 LEU H H 1 8.112 0.020 . 1 . . . . 30 LEU H . 6865 1 296 . 1 1 30 30 LEU HA H 1 4.125 0.020 . 1 . . . . 30 LEU HA . 6865 1 297 . 1 1 30 30 LEU HB2 H 1 1.476 0.020 . 2 . . . . 30 LEU HB2 . 6865 1 298 . 1 1 30 30 LEU HB3 H 1 1.302 0.020 . 2 . . . . 30 LEU HB3 . 6865 1 299 . 1 1 30 30 LEU HG H 1 1.298 0.020 . 1 . . . . 30 LEU HG . 6865 1 300 . 1 1 30 30 LEU HD11 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 301 . 1 1 30 30 LEU HD12 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 302 . 1 1 30 30 LEU HD13 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 303 . 1 1 30 30 LEU HD21 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 304 . 1 1 30 30 LEU HD22 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 305 . 1 1 30 30 LEU HD23 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 306 . 1 1 30 30 LEU CA C 13 54.186 0.200 . 1 . . . . 30 LEU CA . 6865 1 307 . 1 1 30 30 LEU CB C 13 41.454 0.200 . 1 . . . . 30 LEU CB . 6865 1 308 . 1 1 30 30 LEU CG C 13 25.552 0.200 . 1 . . . . 30 LEU CG . 6865 1 309 . 1 1 30 30 LEU CD1 C 13 23.505 0.200 . 1 . . . . 30 LEU CD1 . 6865 1 310 . 1 1 30 30 LEU CD2 C 13 21.090 0.200 . 1 . . . . 30 LEU CD2 . 6865 1 311 . 1 1 30 30 LEU N N 15 122.810 0.200 . 1 . . . . 30 LEU N . 6865 1 312 . 1 1 31 31 HIS H H 1 6.957 0.020 . 1 . . . . 31 HIS H . 6865 1 313 . 1 1 31 31 HIS HA H 1 4.599 0.020 . 1 . . . . 31 HIS HA . 6865 1 314 . 1 1 31 31 HIS HB2 H 1 3.248 0.020 . 2 . . . . 31 HIS HB2 . 6865 1 315 . 1 1 31 31 HIS HB3 H 1 3.028 0.020 . 2 . . . . 31 HIS HB3 . 6865 1 316 . 1 1 31 31 HIS HD2 H 1 7.009 0.020 . 1 . . . . 31 HIS HD2 . 6865 1 317 . 1 1 31 31 HIS HE1 H 1 8.331 0.020 . 1 . . . . 31 HIS HE1 . 6865 1 318 . 1 1 31 31 HIS CA C 13 53.027 0.200 . 1 . . . . 31 HIS CA . 6865 1 319 . 1 1 31 31 HIS CB C 13 29.991 0.200 . 1 . . . . 31 HIS CB . 6865 1 320 . 1 1 31 31 HIS CD2 C 13 119.981 0.200 . 1 . . . . 31 HIS CD2 . 6865 1 321 . 1 1 31 31 HIS CE1 C 13 136.032 0.200 . 1 . . . . 31 HIS CE1 . 6865 1 322 . 1 1 31 31 HIS N N 15 111.379 0.200 . 1 . . . . 31 HIS N . 6865 1 323 . 1 1 32 32 GLU H H 1 8.782 0.020 . 1 . . . . 32 GLU H . 6865 1 324 . 1 1 32 32 GLU HA H 1 4.026 0.020 . 1 . . . . 32 GLU HA . 6865 1 325 . 1 1 32 32 GLU HB2 H 1 1.939 0.020 . 1 . . . . 32 GLU HB2 . 6865 1 326 . 1 1 32 32 GLU HB3 H 1 1.939 0.020 . 1 . . . . 32 GLU HB3 . 6865 1 327 . 1 1 32 32 GLU HG2 H 1 2.222 0.020 . 1 . . . . 32 GLU HG2 . 6865 1 328 . 1 1 32 32 GLU HG3 H 1 2.222 0.020 . 1 . . . . 32 GLU HG3 . 6865 1 329 . 1 1 32 32 GLU CA C 13 56.706 0.200 . 1 . . . . 32 GLU CA . 6865 1 330 . 1 1 32 32 GLU CB C 13 28.391 0.200 . 1 . . . . 32 GLU CB . 6865 1 331 . 1 1 32 32 GLU CG C 13 34.690 0.200 . 1 . . . . 32 GLU CG . 6865 1 332 . 1 1 32 32 GLU N N 15 121.092 0.200 . 1 . . . . 32 GLU N . 6865 1 333 . 1 1 33 33 GLY H H 1 9.053 0.020 . 1 . . . . 33 GLY H . 6865 1 334 . 1 1 33 33 GLY HA2 H 1 4.269 0.020 . 2 . . . . 33 GLY HA2 . 6865 1 335 . 1 1 33 33 GLY HA3 H 1 3.640 0.020 . 2 . . . . 33 GLY HA3 . 6865 1 336 . 1 1 33 33 GLY CA C 13 43.951 0.200 . 1 . . . . 33 GLY CA . 6865 1 337 . 1 1 33 33 GLY N N 15 113.357 0.200 . 1 . . . . 33 GLY N . 6865 1 338 . 1 1 34 34 CYS N N 15 118.657 0.200 . 1 . . . . 34 CYSS N . 6865 1 339 . 1 1 34 34 CYS H H 1 7.254 0.020 . 1 . . . . 34 CYSS H . 6865 1 340 . 1 1 34 34 CYS CA C 13 54.069 0.200 . 1 . . . . 34 CYSS CA . 6865 1 341 . 1 1 34 34 CYS HA H 1 4.679 0.020 . 1 . . . . 34 CYSS HA . 6865 1 342 . 1 1 34 34 CYS CB C 13 39.680 0.200 . 1 . . . . 34 CYSS CB . 6865 1 343 . 1 1 34 34 CYS HB2 H 1 2.827 0.020 . 2 . . . . 34 CYSS HB2 . 6865 1 344 . 1 1 34 34 CYS HB3 H 1 2.724 0.020 . 2 . . . . 34 CYSS HB3 . 6865 1 345 . 1 1 35 35 THR H H 1 8.543 0.020 . 1 . . . . 35 THR H . 6865 1 346 . 1 1 35 35 THR HA H 1 4.286 0.020 . 1 . . . . 35 THR HA . 6865 1 347 . 1 1 35 35 THR HB H 1 4.322 0.020 . 1 . . . . 35 THR HB . 6865 1 348 . 1 1 35 35 THR HG21 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 349 . 1 1 35 35 THR HG22 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 350 . 1 1 35 35 THR HG23 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 351 . 1 1 35 35 THR CA C 13 61.015 0.200 . 1 . . . . 35 THR CA . 6865 1 352 . 1 1 35 35 THR CB C 13 68.696 0.200 . 1 . . . . 35 THR CB . 6865 1 353 . 1 1 35 35 THR CG2 C 13 22.050 0.200 . 1 . . . . 35 THR CG2 . 6865 1 354 . 1 1 35 35 THR N N 15 116.700 0.200 . 1 . . . . 35 THR N . 6865 1 355 . 1 1 36 36 SER H H 1 9.034 0.020 . 1 . . . . 36 SER H . 6865 1 356 . 1 1 36 36 SER HA H 1 4.307 0.020 . 1 . . . . 36 SER HA . 6865 1 357 . 1 1 36 36 SER HB2 H 1 4.258 0.020 . 2 . . . . 36 SER HB2 . 6865 1 358 . 1 1 36 36 SER HB3 H 1 3.615 0.020 . 2 . . . . 36 SER HB3 . 6865 1 359 . 1 1 36 36 SER CA C 13 57.365 0.200 . 1 . . . . 36 SER CA . 6865 1 360 . 1 1 36 36 SER CB C 13 64.128 0.200 . 1 . . . . 36 SER CB . 6865 1 361 . 1 1 36 36 SER N N 15 117.392 0.200 . 1 . . . . 36 SER N . 6865 1 362 . 1 1 37 37 GLU H H 1 7.554 0.020 . 1 . . . . 37 GLU H . 6865 1 363 . 1 1 37 37 GLU HA H 1 5.600 0.020 . 1 . . . . 37 GLU HA . 6865 1 364 . 1 1 37 37 GLU HB2 H 1 2.010 0.020 . 2 . . . . 37 GLU HB2 . 6865 1 365 . 1 1 37 37 GLU HB3 H 1 1.932 0.020 . 2 . . . . 37 GLU HB3 . 6865 1 366 . 1 1 37 37 GLU HG2 H 1 2.194 0.020 . 2 . . . . 37 GLU HG2 . 6865 1 367 . 1 1 37 37 GLU HG3 H 1 2.082 0.020 . 2 . . . . 37 GLU HG3 . 6865 1 368 . 1 1 37 37 GLU CA C 13 54.664 0.200 . 1 . . . . 37 GLU CA . 6865 1 369 . 1 1 37 37 GLU CB C 13 32.455 0.200 . 1 . . . . 37 GLU CB . 6865 1 370 . 1 1 37 37 GLU CG C 13 35.300 0.200 . 1 . . . . 37 GLU CG . 6865 1 371 . 1 1 37 37 GLU N N 15 120.780 0.200 . 1 . . . . 37 GLU N . 6865 1 372 . 1 1 38 38 ILE H H 1 8.444 0.020 . 1 . . . . 38 ILE H . 6865 1 373 . 1 1 38 38 ILE HA H 1 4.435 0.020 . 1 . . . . 38 ILE HA . 6865 1 374 . 1 1 38 38 ILE HB H 1 1.311 0.020 . 1 . . . . 38 ILE HB . 6865 1 375 . 1 1 38 38 ILE HG12 H 1 0.458 0.020 . 2 . . . . 38 ILE HG12 . 6865 1 376 . 1 1 38 38 ILE HG13 H 1 0.954 0.020 . 2 . . . . 38 ILE HG13 . 6865 1 377 . 1 1 38 38 ILE HG21 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 378 . 1 1 38 38 ILE HG22 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 379 . 1 1 38 38 ILE HG23 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 380 . 1 1 38 38 ILE HD11 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 381 . 1 1 38 38 ILE HD12 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 382 . 1 1 38 38 ILE HD13 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 383 . 1 1 38 38 ILE CA C 13 58.958 0.200 . 1 . . . . 38 ILE CA . 6865 1 384 . 1 1 38 38 ILE CB C 13 40.784 0.200 . 1 . . . . 38 ILE CB . 6865 1 385 . 1 1 38 38 ILE CG1 C 13 25.869 0.200 . 1 . . . . 38 ILE CG1 . 6865 1 386 . 1 1 38 38 ILE CG2 C 13 16.210 0.200 . 1 . . . . 38 ILE CG2 . 6865 1 387 . 1 1 38 38 ILE CD1 C 13 12.321 0.200 . 1 . . . . 38 ILE CD1 . 6865 1 388 . 1 1 38 38 ILE N N 15 122.548 0.200 . 1 . . . . 38 ILE N . 6865 1 389 . 1 1 39 39 GLN H H 1 8.279 0.020 . 1 . . . . 39 GLN H . 6865 1 390 . 1 1 39 39 GLN HA H 1 5.574 0.020 . 1 . . . . 39 GLN HA . 6865 1 391 . 1 1 39 39 GLN HB2 H 1 1.930 0.020 . 2 . . . . 39 GLN HB2 . 6865 1 392 . 1 1 39 39 GLN HB3 H 1 1.889 0.020 . 2 . . . . 39 GLN HB3 . 6865 1 393 . 1 1 39 39 GLN HG2 H 1 2.234 0.020 . 1 . . . . 39 GLN HG2 . 6865 1 394 . 1 1 39 39 GLN HG3 H 1 2.234 0.020 . 1 . . . . 39 GLN HG3 . 6865 1 395 . 1 1 39 39 GLN HE21 H 1 7.542 0.020 . 2 . . . . 39 GLN HE21 . 6865 1 396 . 1 1 39 39 GLN HE22 H 1 6.759 0.020 . 2 . . . . 39 GLN HE22 . 6865 1 397 . 1 1 39 39 GLN CA C 13 53.062 0.200 . 1 . . . . 39 GLN CA . 6865 1 398 . 1 1 39 39 GLN CB C 13 31.833 0.200 . 1 . . . . 39 GLN CB . 6865 1 399 . 1 1 39 39 GLN CG C 13 32.717 0.200 . 1 . . . . 39 GLN CG . 6865 1 400 . 1 1 39 39 GLN N N 15 121.821 0.200 . 1 . . . . 39 GLN N . 6865 1 401 . 1 1 39 39 GLN NE2 N 15 111.987 0.200 . 1 . . . . 39 GLN NE2 . 6865 1 402 . 1 1 40 40 GLU H H 1 8.904 0.020 . 1 . . . . 40 GLU H . 6865 1 403 . 1 1 40 40 GLU HA H 1 4.673 0.020 . 1 . . . . 40 GLU HA . 6865 1 404 . 1 1 40 40 GLU HB2 H 1 1.779 0.020 . 2 . . . . 40 GLU HB2 . 6865 1 405 . 1 1 40 40 GLU HB3 H 1 1.680 0.020 . 2 . . . . 40 GLU HB3 . 6865 1 406 . 1 1 40 40 GLU HG2 H 1 1.752 0.020 . 2 . . . . 40 GLU HG2 . 6865 1 407 . 1 1 40 40 GLU HG3 H 1 1.717 0.020 . 2 . . . . 40 GLU HG3 . 6865 1 408 . 1 1 40 40 GLU CA C 13 53.150 0.200 . 1 . . . . 40 GLU CA . 6865 1 409 . 1 1 40 40 GLU CB C 13 32.679 0.200 . 1 . . . . 40 GLU CB . 6865 1 410 . 1 1 40 40 GLU CG C 13 34.205 0.200 . 1 . . . . 40 GLU CG . 6865 1 411 . 1 1 40 40 GLU N N 15 120.021 0.200 . 1 . . . . 40 GLU N . 6865 1 412 . 1 1 41 41 GLN H H 1 8.431 0.020 . 1 . . . . 41 GLN H . 6865 1 413 . 1 1 41 41 GLN HA H 1 4.667 0.020 . 1 . . . . 41 GLN HA . 6865 1 414 . 1 1 41 41 GLN HB2 H 1 1.950 0.020 . 1 . . . . 41 GLN HB2 . 6865 1 415 . 1 1 41 41 GLN HB3 H 1 1.950 0.020 . 1 . . . . 41 GLN HB3 . 6865 1 416 . 1 1 41 41 GLN HG2 H 1 2.367 0.020 . 2 . . . . 41 GLN HG2 . 6865 1 417 . 1 1 41 41 GLN HG3 H 1 2.220 0.020 . 2 . . . . 41 GLN HG3 . 6865 1 418 . 1 1 41 41 GLN HE21 H 1 7.629 0.020 . 2 . . . . 41 GLN HE21 . 6865 1 419 . 1 1 41 41 GLN HE22 H 1 6.895 0.020 . 2 . . . . 41 GLN HE22 . 6865 1 420 . 1 1 41 41 GLN CA C 13 54.886 0.200 . 1 . . . . 41 GLN CA . 6865 1 421 . 1 1 41 41 GLN CB C 13 28.826 0.200 . 1 . . . . 41 GLN CB . 6865 1 422 . 1 1 41 41 GLN CG C 13 33.340 0.200 . 1 . . . . 41 GLN CG . 6865 1 423 . 1 1 41 41 GLN N N 15 119.572 0.200 . 1 . . . . 41 GLN N . 6865 1 424 . 1 1 41 41 GLN NE2 N 15 112.859 0.200 . 1 . . . . 41 GLN NE2 . 6865 1 425 . 1 1 42 42 CYS N N 15 119.057 0.200 . 1 . . . . 42 CYSS N . 6865 1 426 . 1 1 42 42 CYS H H 1 8.329 0.020 . 1 . . . . 42 CYSS H . 6865 1 427 . 1 1 42 42 CYS CA C 13 52.209 0.200 . 1 . . . . 42 CYSS CA . 6865 1 428 . 1 1 42 42 CYS HA H 1 4.663 0.020 . 1 . . . . 42 CYSS HA . 6865 1 429 . 1 1 42 42 CYS CB C 13 44.964 0.200 . 1 . . . . 42 CYSS CB . 6865 1 430 . 1 1 42 42 CYS HB2 H 1 3.147 0.020 . 2 . . . . 42 CYSS HB2 . 6865 1 431 . 1 1 42 42 CYS HB3 H 1 2.713 0.020 . 2 . . . . 42 CYSS HB3 . 6865 1 432 . 1 1 43 43 GLU H H 1 8.610 0.020 . 1 . . . . 43 GLU H . 6865 1 433 . 1 1 43 43 GLU HA H 1 4.701 0.020 . 1 . . . . 43 GLU HA . 6865 1 434 . 1 1 43 43 GLU HB2 H 1 1.699 0.020 . 2 . . . . 43 GLU HB2 . 6865 1 435 . 1 1 43 43 GLU HB3 H 1 1.668 0.020 . 2 . . . . 43 GLU HB3 . 6865 1 436 . 1 1 43 43 GLU HG2 H 1 1.918 0.020 . 2 . . . . 43 GLU HG2 . 6865 1 437 . 1 1 43 43 GLU HG3 H 1 1.816 0.020 . 2 . . . . 43 GLU HG3 . 6865 1 438 . 1 1 43 43 GLU CA C 13 54.435 0.200 . 1 . . . . 43 GLU CA . 6865 1 439 . 1 1 43 43 GLU CB C 13 31.026 0.200 . 1 . . . . 43 GLU CB . 6865 1 440 . 1 1 43 43 GLU CG C 13 34.867 0.200 . 1 . . . . 43 GLU CG . 6865 1 441 . 1 1 43 43 GLU N N 15 121.373 0.200 . 1 . . . . 43 GLU N . 6865 1 442 . 1 1 44 44 GLU H H 1 8.938 0.020 . 1 . . . . 44 GLU H . 6865 1 443 . 1 1 44 44 GLU HA H 1 4.380 0.020 . 1 . . . . 44 GLU HA . 6865 1 444 . 1 1 44 44 GLU HB2 H 1 2.090 0.020 . 2 . . . . 44 GLU HB2 . 6865 1 445 . 1 1 44 44 GLU HB3 H 1 1.367 0.020 . 2 . . . . 44 GLU HB3 . 6865 1 446 . 1 1 44 44 GLU HG2 H 1 2.222 0.020 . 2 . . . . 44 GLU HG2 . 6865 1 447 . 1 1 44 44 GLU HG3 H 1 1.968 0.020 . 2 . . . . 44 GLU HG3 . 6865 1 448 . 1 1 44 44 GLU CA C 13 53.815 0.200 . 1 . . . . 44 GLU CA . 6865 1 449 . 1 1 44 44 GLU CB C 13 30.489 0.200 . 1 . . . . 44 GLU CB . 6865 1 450 . 1 1 44 44 GLU CG C 13 34.517 0.200 . 1 . . . . 44 GLU CG . 6865 1 451 . 1 1 44 44 GLU N N 15 127.128 0.200 . 1 . . . . 44 GLU N . 6865 1 452 . 1 1 45 45 GLU H H 1 8.288 0.020 . 1 . . . . 45 GLU H . 6865 1 453 . 1 1 45 45 GLU HA H 1 4.240 0.020 . 1 . . . . 45 GLU HA . 6865 1 454 . 1 1 45 45 GLU HB2 H 1 2.046 0.020 . 2 . . . . 45 GLU HB2 . 6865 1 455 . 1 1 45 45 GLU HB3 H 1 1.950 0.020 . 2 . . . . 45 GLU HB3 . 6865 1 456 . 1 1 45 45 GLU HG2 H 1 2.260 0.020 . 2 . . . . 45 GLU HG2 . 6865 1 457 . 1 1 45 45 GLU HG3 H 1 2.196 0.020 . 2 . . . . 45 GLU HG3 . 6865 1 458 . 1 1 45 45 GLU CA C 13 54.785 0.200 . 1 . . . . 45 GLU CA . 6865 1 459 . 1 1 45 45 GLU CB C 13 29.583 0.200 . 1 . . . . 45 GLU CB . 6865 1 460 . 1 1 45 45 GLU CG C 13 34.354 0.200 . 1 . . . . 45 GLU CG . 6865 1 461 . 1 1 45 45 GLU N N 15 118.668 0.200 . 1 . . . . 45 GLU N . 6865 1 462 . 1 1 46 46 ARG H H 1 8.550 0.020 . 1 . . . . 46 ARG H . 6865 1 463 . 1 1 46 46 ARG HA H 1 4.107 0.020 . 1 . . . . 46 ARG HA . 6865 1 464 . 1 1 46 46 ARG HB2 H 1 1.745 0.020 . 1 . . . . 46 ARG HB2 . 6865 1 465 . 1 1 46 46 ARG HB3 H 1 1.745 0.020 . 1 . . . . 46 ARG HB3 . 6865 1 466 . 1 1 46 46 ARG HG2 H 1 1.652 0.020 . 2 . . . . 46 ARG HG2 . 6865 1 467 . 1 1 46 46 ARG HG3 H 1 1.601 0.020 . 2 . . . . 46 ARG HG3 . 6865 1 468 . 1 1 46 46 ARG HD2 H 1 3.113 0.020 . 1 . . . . 46 ARG HD2 . 6865 1 469 . 1 1 46 46 ARG HD3 H 1 3.113 0.020 . 1 . . . . 46 ARG HD3 . 6865 1 470 . 1 1 46 46 ARG HE H 1 7.144 0.020 . 1 . . . . 46 ARG HE . 6865 1 471 . 1 1 46 46 ARG CA C 13 55.527 0.200 . 1 . . . . 46 ARG CA . 6865 1 472 . 1 1 46 46 ARG CB C 13 28.904 0.200 . 1 . . . . 46 ARG CB . 6865 1 473 . 1 1 46 46 ARG CG C 13 25.790 0.200 . 1 . . . . 46 ARG CG . 6865 1 474 . 1 1 46 46 ARG CD C 13 42.431 0.200 . 1 . . . . 46 ARG CD . 6865 1 475 . 1 1 46 46 ARG N N 15 122.284 0.200 . 1 . . . . 46 ARG N . 6865 1 476 . 1 1 46 46 ARG NE N 15 111.769 0.200 . 1 . . . . 46 ARG NE . 6865 1 477 . 1 1 47 47 CYS N N 15 122.617 0.200 . 1 . . . . 47 CYSS N . 6865 1 478 . 1 1 47 47 CYS H H 1 8.855 0.020 . 1 . . . . 47 CYSS H . 6865 1 479 . 1 1 47 47 CYS CA C 13 52.195 0.200 . 1 . . . . 47 CYSS CA . 6865 1 480 . 1 1 47 47 CYS HA H 1 4.703 0.020 . 1 . . . . 47 CYSS HA . 6865 1 481 . 1 1 47 47 CYS CB C 13 39.000 0.200 . 1 . . . . 47 CYSS CB . 6865 1 482 . 1 1 47 47 CYS HB2 H 1 3.167 0.020 . 2 . . . . 47 CYSS HB2 . 6865 1 483 . 1 1 47 47 CYS HB3 H 1 2.623 0.020 . 2 . . . . 47 CYSS HB3 . 6865 1 484 . 1 1 48 48 PRO HA H 1 4.612 0.020 . 1 . . . . 48 PRO HA . 6865 1 485 . 1 1 48 48 PRO HB2 H 1 2.257 0.020 . 2 . . . . 48 PRO HB2 . 6865 1 486 . 1 1 48 48 PRO HB3 H 1 1.888 0.020 . 2 . . . . 48 PRO HB3 . 6865 1 487 . 1 1 48 48 PRO HG2 H 1 1.970 0.020 . 1 . . . . 48 PRO HG2 . 6865 1 488 . 1 1 48 48 PRO HG3 H 1 1.970 0.020 . 1 . . . . 48 PRO HG3 . 6865 1 489 . 1 1 48 48 PRO HD2 H 1 3.808 0.020 . 2 . . . . 48 PRO HD2 . 6865 1 490 . 1 1 48 48 PRO HD3 H 1 3.622 0.020 . 2 . . . . 48 PRO HD3 . 6865 1 491 . 1 1 48 48 PRO CA C 13 60.405 0.200 . 1 . . . . 48 PRO CA . 6865 1 492 . 1 1 48 48 PRO CB C 13 29.424 0.200 . 1 . . . . 48 PRO CB . 6865 1 493 . 1 1 48 48 PRO CG C 13 26.245 0.200 . 1 . . . . 48 PRO CG . 6865 1 494 . 1 1 48 48 PRO CD C 13 49.212 0.200 . 1 . . . . 48 PRO CD . 6865 1 495 . 1 1 49 49 PRO HA H 1 4.116 0.020 . 1 . . . . 49 PRO HA . 6865 1 496 . 1 1 49 49 PRO HB2 H 1 2.116 0.020 . 2 . . . . 49 PRO HB2 . 6865 1 497 . 1 1 49 49 PRO HB3 H 1 1.805 0.020 . 2 . . . . 49 PRO HB3 . 6865 1 498 . 1 1 49 49 PRO HG2 H 1 1.894 0.020 . 1 . . . . 49 PRO HG2 . 6865 1 499 . 1 1 49 49 PRO HG3 H 1 1.894 0.020 . 1 . . . . 49 PRO HG3 . 6865 1 500 . 1 1 49 49 PRO HD2 H 1 3.659 0.020 . 2 . . . . 49 PRO HD2 . 6865 1 501 . 1 1 49 49 PRO HD3 H 1 3.540 0.020 . 2 . . . . 49 PRO HD3 . 6865 1 502 . 1 1 49 49 PRO CA C 13 63.435 0.200 . 1 . . . . 49 PRO CA . 6865 1 503 . 1 1 49 49 PRO CB C 13 30.824 0.200 . 1 . . . . 49 PRO CB . 6865 1 504 . 1 1 49 49 PRO CG C 13 26.104 0.200 . 1 . . . . 49 PRO CG . 6865 1 505 . 1 1 49 49 PRO CD C 13 48.977 0.200 . 1 . . . . 49 PRO CD . 6865 1 stop_ save_