data_27615 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27615 _Entry.Title ; Backbone and aliphatic side-chain NMR resonance assignments of fragment of human LSD1 (residues 100-151) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-18 _Entry.Accession_date 2018-09-18 _Entry.Last_release_date 2018-09-18 _Entry.Original_release_date 2018-09-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Danyun Zeng . . . . 27615 2 Benjamin Brown . . . . 27615 3 Nicholas Reiter . . . . 27615 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Marquette University, Department of Chemistry' . 27615 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27615 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 27615 '15N chemical shifts' 49 27615 '1H chemical shifts' 339 27615 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 . . 2024-04-01 . original BMRB . 27615 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HKO . 27615 PDB 2V1D . 27615 PDB 2ZAJ . 27615 PDB 4KUM . 27615 PDB 4XBF . 27615 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27615 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Transient and highly ordered structural domains exist within the N-terminus of LSD1 and contain distinct binding interactions with mononucleosomes ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Danyun Zeng . . . . 27615 1 2 Benjamin Brown . . . . 27615 1 3 Zigmund Luka . . . . 27615 1 4 Bill Martin . . . . 27615 1 5 Khadijah Moore . . . . 27615 1 6 Svetlana Pakhomova . . . . 27615 1 7 Jens Meiler . . . . 27615 1 8 Nicholas Reiter . . . . 27615 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27615 _Assembly.ID 1 _Assembly.Name 'Fragment of human LSD1 (residues 100-151)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6476.07 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fragment of human LSD1 (residues 100-151)' 1 $fragment_of_human_LSD1_(residues_100-151) A . yes native no no . . . 27615 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_fragment_of_human_LSD1_(residues_100-151) _Entity.Sf_category entity _Entity.Sf_framecode fragment_of_human_LSD1_(residues_100-151) _Entity.Entry_ID 27615 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name fragment_of_human_LSD1_(residues_100-151) _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 ; GPGSGIAETPEGRRTSRRKR AKVEYREMDESLANLSEDEY YSEEERNAKAEKEKKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -3,G -2,P -1,G 0,S 100,G 101,I 102,A 103,E 104,T 105,P 106,E 107,G 108,R 109,R 110, T111,S 112,R 113,R 114,K 115,R 116,A 117,K 118,V 119,E 120,Y 121, R 122,E 123,M 124,D 125,E 126,S 127,L 128,A 129,N 130,L 131,S 132, E 133,D 134,E 135,Y 136,Y 137,S 138,E 139,E 140,E 141,R 142,N 143, A 144,K 145,A 146,E 147,K 148,E 149,K 150,K 151,L ; _Entity.Polymer_author_seq_details 'Residue No.1-4(author sequence No.-3-0)represent the reconstruction generated residues.' _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 'not present' _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 . 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 . yes UNP KDM1A . . . . . . . . . . . . . . . . 27615 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 -3 GLY . 27615 1 2 -2 PRO . 27615 1 3 -1 GLY . 27615 1 4 0 SER . 27615 1 5 100 GLY . 27615 1 6 101 ILE . 27615 1 7 102 ALA . 27615 1 8 103 GLU . 27615 1 9 104 THR . 27615 1 10 105 PRO . 27615 1 11 106 GLU . 27615 1 12 107 GLY . 27615 1 13 108 ARG . 27615 1 14 109 ARG . 27615 1 15 110 THR . 27615 1 16 111 SER . 27615 1 17 112 ARG . 27615 1 18 113 ARG . 27615 1 19 114 LYS . 27615 1 20 115 ARG . 27615 1 21 116 ALA . 27615 1 22 117 LYS . 27615 1 23 118 VAL . 27615 1 24 119 GLU . 27615 1 25 120 TYR . 27615 1 26 121 ARG . 27615 1 27 122 GLU . 27615 1 28 123 MET . 27615 1 29 124 ASP . 27615 1 30 125 GLU . 27615 1 31 126 SER . 27615 1 32 127 LEU . 27615 1 33 128 ALA . 27615 1 34 129 ASN . 27615 1 35 130 LEU . 27615 1 36 131 SER . 27615 1 37 132 GLU . 27615 1 38 133 ASP . 27615 1 39 134 GLU . 27615 1 40 135 TYR . 27615 1 41 136 TYR . 27615 1 42 137 SER . 27615 1 43 138 GLU . 27615 1 44 139 GLU . 27615 1 45 140 GLU . 27615 1 46 141 ARG . 27615 1 47 142 ASN . 27615 1 48 143 ALA . 27615 1 49 144 LYS . 27615 1 50 145 ALA . 27615 1 51 146 GLU . 27615 1 52 147 LYS . 27615 1 53 148 GLU . 27615 1 54 149 LYS . 27615 1 55 150 LYS . 27615 1 56 151 LEU . 27615 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 27615 1 . PRO 2 2 27615 1 . GLY 3 3 27615 1 . SER 4 4 27615 1 . GLY 5 5 27615 1 . ILE 6 6 27615 1 . ALA 7 7 27615 1 . GLU 8 8 27615 1 . THR 9 9 27615 1 . PRO 10 10 27615 1 . GLU 11 11 27615 1 . GLY 12 12 27615 1 . ARG 13 13 27615 1 . ARG 14 14 27615 1 . THR 15 15 27615 1 . SER 16 16 27615 1 . ARG 17 17 27615 1 . ARG 18 18 27615 1 . LYS 19 19 27615 1 . ARG 20 20 27615 1 . ALA 21 21 27615 1 . LYS 22 22 27615 1 . VAL 23 23 27615 1 . GLU 24 24 27615 1 . TYR 25 25 27615 1 . ARG 26 26 27615 1 . GLU 27 27 27615 1 . MET 28 28 27615 1 . ASP 29 29 27615 1 . GLU 30 30 27615 1 . SER 31 31 27615 1 . LEU 32 32 27615 1 . ALA 33 33 27615 1 . ASN 34 34 27615 1 . LEU 35 35 27615 1 . SER 36 36 27615 1 . GLU 37 37 27615 1 . ASP 38 38 27615 1 . GLU 39 39 27615 1 . TYR 40 40 27615 1 . TYR 41 41 27615 1 . SER 42 42 27615 1 . GLU 43 43 27615 1 . GLU 44 44 27615 1 . GLU 45 45 27615 1 . ARG 46 46 27615 1 . ASN 47 47 27615 1 . ALA 48 48 27615 1 . LYS 49 49 27615 1 . ALA 50 50 27615 1 . GLU 51 51 27615 1 . LYS 52 52 27615 1 . GLU 53 53 27615 1 . LYS 54 54 27615 1 . LYS 55 55 27615 1 . LEU 56 56 27615 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 27615 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $fragment_of_human_LSD1_(residues_100-151) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27615 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 27615 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $fragment_of_human_LSD1_(residues_100-151) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pAT109 . . 'pAT109 vector (recombinant vector) with 3C precission protease cleavage site' 27615 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27615 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal fragment of Human LSD1' '[U-100% 13C; U-100% 15N]' . . 1 $fragment_of_human_LSD1_(residues_100-151) . . 250 . . uM . . . . 27615 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27615 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27615 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27615 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 27615 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27615 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 27615 1 pH 7.2 . pH 27615 1 pressure 1 . atm 27615 1 temperature 273 . K 27615 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27615 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27615 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27615 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27615 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryogenic probes' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27615 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryogenic probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27615 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryogenic probes' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27615 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian VNMRS . 800 'equipped with cryogenic probes' . . 27615 1 2 spectrometer_2 Bruker Avance . 600 'equipped with cryogenic probes' . . 27615 1 3 spectrometer_3 Varian INOVA . 600 'equipped with cryogenic probes' . . 27615 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27615 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 4 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 9 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27615 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27615 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27615 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27615 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27615 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27615 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27615 1 2 '2D 1H-13C HSQC aliphatic' . . . 27615 1 3 '3D CBCA(CO)NH' . . . 27615 1 4 '3D H(CCO)NH' . . . 27615 1 5 '3D HCCH-TOCSY' . . . 27615 1 6 '3D HNCA' . . . 27615 1 7 '3D HNCACB' . . . 27615 1 8 '3D HNCO' . . . 27615 1 9 '3D HN(CO)CA' . . . 27615 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 27615 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.538 0.000 . 1 . . . . . -2 PRO HA . 27615 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.369 0.000 . 1 . . . . . -2 PRO HB2 . 27615 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.369 0.000 . 1 . . . . . -2 PRO HB3 . 27615 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.064 0.000 . 2 . . . . . -2 PRO HG2 . 27615 1 5 . 1 . 1 2 2 PRO HG3 H 1 2.046 0.000 . 2 . . . . . -2 PRO HG3 . 27615 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.655 0.000 . 2 . . . . . -2 PRO HD2 . 27615 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.625 0.000 . 2 . . . . . -2 PRO HD3 . 27615 1 8 . 1 . 1 2 2 PRO C C 13 177.105 0.000 . 1 . . . . . -2 PRO C . 27615 1 9 . 1 . 1 2 2 PRO CA C 13 63.409 0.000 . 1 . . . . . -2 PRO CA . 27615 1 10 . 1 . 1 2 2 PRO CB C 13 32.095 0.000 . 1 . . . . . -2 PRO CB . 27615 1 11 . 1 . 1 2 2 PRO CG C 13 32.103 0.000 . 1 . . . . . -2 PRO CG . 27615 1 12 . 1 . 1 2 2 PRO CD C 13 49.606 0.000 . 1 . . . . . -2 PRO CD . 27615 1 13 . 1 . 1 3 3 GLY H H 1 8.554 0.000 . 1 . . . . . -1 GLY H . 27615 1 14 . 1 . 1 3 3 GLY N N 15 110.008 0.000 . 1 . . . . . -1 GLY N . 27615 1 15 . 1 . 1 4 4 SER HA H 1 4.506 0.000 . 1 . . . . . 0 SER HA . 27615 1 16 . 1 . 1 4 4 SER HB2 H 1 3.951 0.000 . 1 . . . . . 0 SER HB2 . 27615 1 17 . 1 . 1 4 4 SER HB3 H 1 3.951 0.000 . 1 . . . . . 0 SER HB3 . 27615 1 18 . 1 . 1 4 4 SER C C 13 174.972 0.000 . 1 . . . . . 0 SER C . 27615 1 19 . 1 . 1 4 4 SER CA C 13 58.520 0.000 . 1 . . . . . 0 SER CA . 27615 1 20 . 1 . 1 4 4 SER CB C 13 63.915 0.000 . 1 . . . . . 0 SER CB . 27615 1 21 . 1 . 1 5 5 GLY H H 1 8.435 0.000 . 1 . . . . . 100 GLY H . 27615 1 22 . 1 . 1 5 5 GLY HA2 H 1 4.065 0.000 . 1 . . . . . 100 GLY HA2 . 27615 1 23 . 1 . 1 5 5 GLY HA3 H 1 4.065 0.000 . 1 . . . . . 100 GLY HA3 . 27615 1 24 . 1 . 1 5 5 GLY C C 13 173.862 0.000 . 1 . . . . . 100 GLY C . 27615 1 25 . 1 . 1 5 5 GLY CA C 13 45.245 0.000 . 1 . . . . . 100 GLY CA . 27615 1 26 . 1 . 1 5 5 GLY N N 15 111.155 0.000 . 1 . . . . . 100 GLY N . 27615 1 27 . 1 . 1 6 6 ILE H H 1 7.868 0.000 . 1 . . . . . 101 ILE H . 27615 1 28 . 1 . 1 6 6 ILE HA H 1 4.218 0.000 . 1 . . . . . 101 ILE HA . 27615 1 29 . 1 . 1 6 6 ILE HB H 1 1.889 0.000 . 1 . . . . . 101 ILE HB . 27615 1 30 . 1 . 1 6 6 ILE HG12 H 1 1.482 0.000 . 2 . . . . . 101 ILE HG12 . 27615 1 31 . 1 . 1 6 6 ILE HG13 H 1 1.199 0.000 . 2 . . . . . 101 ILE HG13 . 27615 1 32 . 1 . 1 6 6 ILE HG21 H 1 0.955 0.000 . 1 . . . . . 101 ILE HG21 . 27615 1 33 . 1 . 1 6 6 ILE HG22 H 1 0.955 0.000 . 1 . . . . . 101 ILE HG22 . 27615 1 34 . 1 . 1 6 6 ILE HG23 H 1 0.955 0.000 . 1 . . . . . 101 ILE HG23 . 27615 1 35 . 1 . 1 6 6 ILE HD11 H 1 0.902 0.000 . 1 . . . . . 101 ILE HD11 . 27615 1 36 . 1 . 1 6 6 ILE HD12 H 1 0.902 0.000 . 1 . . . . . 101 ILE HD12 . 27615 1 37 . 1 . 1 6 6 ILE HD13 H 1 0.902 0.000 . 1 . . . . . 101 ILE HD13 . 27615 1 38 . 1 . 1 6 6 ILE C C 13 175.836 0.000 . 1 . . . . . 101 ILE C . 27615 1 39 . 1 . 1 6 6 ILE CA C 13 61.010 0.000 . 1 . . . . . 101 ILE CA . 27615 1 40 . 1 . 1 6 6 ILE CB C 13 38.802 0.000 . 1 . . . . . 101 ILE CB . 27615 1 41 . 1 . 1 6 6 ILE CG1 C 13 27.106 0.000 . 1 . . . . . 101 ILE CG1 . 27615 1 42 . 1 . 1 6 6 ILE CG2 C 13 17.410 0.000 . 1 . . . . . 101 ILE CG2 . 27615 1 43 . 1 . 1 6 6 ILE CD1 C 13 12.945 0.000 . 1 . . . . . 101 ILE CD1 . 27615 1 44 . 1 . 1 6 6 ILE N N 15 120.166 0.000 . 1 . . . . . 101 ILE N . 27615 1 45 . 1 . 1 7 7 ALA H H 1 8.296 0.000 . 1 . . . . . 102 ALA H . 27615 1 46 . 1 . 1 7 7 ALA HA H 1 4.375 0.000 . 1 . . . . . 102 ALA HA . 27615 1 47 . 1 . 1 7 7 ALA HB1 H 1 1.425 0.000 . 1 . . . . . 102 ALA HB1 . 27615 1 48 . 1 . 1 7 7 ALA HB2 H 1 1.425 0.000 . 1 . . . . . 102 ALA HB2 . 27615 1 49 . 1 . 1 7 7 ALA HB3 H 1 1.425 0.000 . 1 . . . . . 102 ALA HB3 . 27615 1 50 . 1 . 1 7 7 ALA C C 13 177.265 0.000 . 1 . . . . . 102 ALA C . 27615 1 51 . 1 . 1 7 7 ALA CA C 13 52.340 0.000 . 1 . . . . . 102 ALA CA . 27615 1 52 . 1 . 1 7 7 ALA CB C 13 19.160 0.000 . 1 . . . . . 102 ALA CB . 27615 1 53 . 1 . 1 7 7 ALA N N 15 128.117 0.000 . 1 . . . . . 102 ALA N . 27615 1 54 . 1 . 1 8 8 GLU H H 1 8.242 0.000 . 1 . . . . . 103 GLU H . 27615 1 55 . 1 . 1 8 8 GLU HA H 1 4.403 0.000 . 1 . . . . . 103 GLU HA . 27615 1 56 . 1 . 1 8 8 GLU HB2 H 1 2.098 0.000 . 2 . . . . . 103 GLU HB2 . 27615 1 57 . 1 . 1 8 8 GLU HB3 H 1 1.962 0.000 . 2 . . . . . 103 GLU HB3 . 27615 1 58 . 1 . 1 8 8 GLU HG2 H 1 2.322 0.000 . 2 . . . . . 103 GLU HG2 . 27615 1 59 . 1 . 1 8 8 GLU HG3 H 1 2.283 0.000 . 2 . . . . . 103 GLU HG3 . 27615 1 60 . 1 . 1 8 8 GLU C C 13 176.270 0.000 . 1 . . . . . 103 GLU C . 27615 1 61 . 1 . 1 8 8 GLU CA C 13 56.294 0.000 . 1 . . . . . 103 GLU CA . 27615 1 62 . 1 . 1 8 8 GLU CB C 13 30.417 0.000 . 1 . . . . . 103 GLU CB . 27615 1 63 . 1 . 1 8 8 GLU CG C 13 36.323 0.000 . 1 . . . . . 103 GLU CG . 27615 1 64 . 1 . 1 8 8 GLU N N 15 120.569 0.000 . 1 . . . . . 103 GLU N . 27615 1 65 . 1 . 1 9 9 THR H H 1 8.170 0.000 . 1 . . . . . 104 THR H . 27615 1 66 . 1 . 1 9 9 THR HA H 1 4.718 0.000 . 1 . . . . . 104 THR HA . 27615 1 67 . 1 . 1 9 9 THR HB H 1 4.358 0.000 . 1 . . . . . 104 THR HB . 27615 1 68 . 1 . 1 9 9 THR HG21 H 1 1.302 0.000 . 1 . . . . . 104 THR HG21 . 27615 1 69 . 1 . 1 9 9 THR HG22 H 1 1.302 0.000 . 1 . . . . . 104 THR HG22 . 27615 1 70 . 1 . 1 9 9 THR HG23 H 1 1.302 0.000 . 1 . . . . . 104 THR HG23 . 27615 1 71 . 1 . 1 9 9 THR CA C 13 59.531 0.000 . 1 . . . . . 104 THR CA . 27615 1 72 . 1 . 1 9 9 THR CB C 13 69.603 0.000 . 1 . . . . . 104 THR CB . 27615 1 73 . 1 . 1 9 9 THR CG2 C 13 21.567 0.000 . 1 . . . . . 104 THR CG2 . 27615 1 74 . 1 . 1 9 9 THR N N 15 116.569 0.000 . 1 . . . . . 104 THR N . 27615 1 75 . 1 . 1 10 10 PRO HA H 1 4.412 0.000 . 1 . . . . . 105 PRO HA . 27615 1 76 . 1 . 1 10 10 PRO HB2 H 1 2.388 0.000 . 2 . . . . . 105 PRO HB2 . 27615 1 77 . 1 . 1 10 10 PRO HB3 H 1 1.973 0.000 . 2 . . . . . 105 PRO HB3 . 27615 1 78 . 1 . 1 10 10 PRO HG2 H 1 2.138 0.000 . 2 . . . . . 105 PRO HG2 . 27615 1 79 . 1 . 1 10 10 PRO HG3 H 1 2.057 0.000 . 2 . . . . . 105 PRO HG3 . 27615 1 80 . 1 . 1 10 10 PRO HD2 H 1 3.918 0.000 . 2 . . . . . 105 PRO HD2 . 27615 1 81 . 1 . 1 10 10 PRO HD3 H 1 3.817 0.000 . 2 . . . . . 105 PRO HD3 . 27615 1 82 . 1 . 1 10 10 PRO C C 13 177.536 0.000 . 1 . . . . . 105 PRO C . 27615 1 83 . 1 . 1 10 10 PRO CA C 13 64.058 0.000 . 1 . . . . . 105 PRO CA . 27615 1 84 . 1 . 1 10 10 PRO CB C 13 31.961 0.000 . 1 . . . . . 105 PRO CB . 27615 1 85 . 1 . 1 10 10 PRO CG C 13 27.575 0.000 . 1 . . . . . 105 PRO CG . 27615 1 86 . 1 . 1 10 10 PRO CD C 13 50.930 0.000 . 1 . . . . . 105 PRO CD . 27615 1 87 . 1 . 1 11 11 GLU H H 1 8.472 0.000 . 1 . . . . . 106 GLU H . 27615 1 88 . 1 . 1 11 11 GLU HA H 1 4.229 0.000 . 1 . . . . . 106 GLU HA . 27615 1 89 . 1 . 1 11 11 GLU HB2 H 1 2.061 0.000 . 1 . . . . . 106 GLU HB2 . 27615 1 90 . 1 . 1 11 11 GLU HB3 H 1 2.061 0.000 . 1 . . . . . 106 GLU HB3 . 27615 1 91 . 1 . 1 11 11 GLU HG2 H 1 2.350 0.000 . 1 . . . . . 106 GLU HG2 . 27615 1 92 . 1 . 1 11 11 GLU HG3 H 1 2.350 0.000 . 1 . . . . . 106 GLU HG3 . 27615 1 93 . 1 . 1 11 11 GLU C C 13 177.410 0.000 . 1 . . . . . 106 GLU C . 27615 1 94 . 1 . 1 11 11 GLU CA C 13 57.624 0.000 . 1 . . . . . 106 GLU CA . 27615 1 95 . 1 . 1 11 11 GLU CB C 13 29.692 0.000 . 1 . . . . . 106 GLU CB . 27615 1 96 . 1 . 1 11 11 GLU CG C 13 36.278 0.000 . 1 . . . . . 106 GLU CG . 27615 1 97 . 1 . 1 11 11 GLU N N 15 119.792 0.000 . 1 . . . . . 106 GLU N . 27615 1 98 . 1 . 1 12 12 GLY H H 1 8.238 0.000 . 1 . . . . . 107 GLY H . 27615 1 99 . 1 . 1 12 12 GLY HA2 H 1 3.991 0.000 . 1 . . . . . 107 GLY HA2 . 27615 1 100 . 1 . 1 12 12 GLY HA3 H 1 3.991 0.000 . 1 . . . . . 107 GLY HA3 . 27615 1 101 . 1 . 1 12 12 GLY C C 13 174.497 0.000 . 1 . . . . . 107 GLY C . 27615 1 102 . 1 . 1 12 12 GLY CA C 13 45.621 0.000 . 1 . . . . . 107 GLY CA . 27615 1 103 . 1 . 1 12 12 GLY N N 15 109.656 0.000 . 1 . . . . . 107 GLY N . 27615 1 104 . 1 . 1 13 13 ARG H H 1 8.023 0.000 . 1 . . . . . 108 ARG H . 27615 1 105 . 1 . 1 13 13 ARG HA H 1 4.361 0.000 . 1 . . . . . 108 ARG HA . 27615 1 106 . 1 . 1 13 13 ARG HB2 H 1 1.915 0.000 . 2 . . . . . 108 ARG HB2 . 27615 1 107 . 1 . 1 13 13 ARG HB3 H 1 1.804 0.000 . 2 . . . . . 108 ARG HB3 . 27615 1 108 . 1 . 1 13 13 ARG HG2 H 1 1.708 0.000 . 2 . . . . . 108 ARG HG2 . 27615 1 109 . 1 . 1 13 13 ARG HG3 H 1 1.656 0.000 . 2 . . . . . 108 ARG HG3 . 27615 1 110 . 1 . 1 13 13 ARG HD2 H 1 3.205 0.000 . 1 . . . . . 108 ARG HD2 . 27615 1 111 . 1 . 1 13 13 ARG HD3 H 1 3.205 0.000 . 1 . . . . . 108 ARG HD3 . 27615 1 112 . 1 . 1 13 13 ARG C C 13 176.179 0.000 . 1 . . . . . 108 ARG C . 27615 1 113 . 1 . 1 13 13 ARG CA C 13 56.634 0.000 . 1 . . . . . 108 ARG CA . 27615 1 114 . 1 . 1 13 13 ARG CB C 13 30.760 0.000 . 1 . . . . . 108 ARG CB . 27615 1 115 . 1 . 1 13 13 ARG CG C 13 27.269 0.000 . 1 . . . . . 108 ARG CG . 27615 1 116 . 1 . 1 13 13 ARG CD C 13 43.356 0.000 . 1 . . . . . 108 ARG CD . 27615 1 117 . 1 . 1 13 13 ARG N N 15 120.436 0.000 . 1 . . . . . 108 ARG N . 27615 1 118 . 1 . 1 14 14 ARG H H 1 8.189 0.000 . 1 . . . . . 109 ARG H . 27615 1 119 . 1 . 1 14 14 ARG HA H 1 4.403 0.000 . 1 . . . . . 109 ARG HA . 27615 1 120 . 1 . 1 14 14 ARG HB2 H 1 1.881 0.000 . 1 . . . . . 109 ARG HB2 . 27615 1 121 . 1 . 1 14 14 ARG HB3 H 1 1.881 0.000 . 1 . . . . . 109 ARG HB3 . 27615 1 122 . 1 . 1 14 14 ARG HG2 H 1 1.706 0.000 . 1 . . . . . 109 ARG HG2 . 27615 1 123 . 1 . 1 14 14 ARG HG3 H 1 1.706 0.000 . 1 . . . . . 109 ARG HG3 . 27615 1 124 . 1 . 1 14 14 ARG HD2 H 1 3.244 0.000 . 1 . . . . . 109 ARG HD2 . 27615 1 125 . 1 . 1 14 14 ARG HD3 H 1 3.244 0.000 . 1 . . . . . 109 ARG HD3 . 27615 1 126 . 1 . 1 14 14 ARG CA C 13 56.773 0.000 . 1 . . . . . 109 ARG CA . 27615 1 127 . 1 . 1 14 14 ARG CB C 13 30.580 0.000 . 1 . . . . . 109 ARG CB . 27615 1 128 . 1 . 1 14 14 ARG CG C 13 27.269 0.000 . 1 . . . . . 109 ARG CG . 27615 1 129 . 1 . 1 14 14 ARG CD C 13 43.355 0.000 . 1 . . . . . 109 ARG CD . 27615 1 130 . 1 . 1 14 14 ARG N N 15 121.540 0.000 . 1 . . . . . 109 ARG N . 27615 1 131 . 1 . 1 15 15 THR H H 1 8.066 0.000 . 1 . . . . . 110 THR H . 27615 1 132 . 1 . 1 15 15 THR HA H 1 4.387 0.000 . 1 . . . . . 110 THR HA . 27615 1 133 . 1 . 1 15 15 THR HB H 1 4.300 0.000 . 1 . . . . . 110 THR HB . 27615 1 134 . 1 . 1 15 15 THR HG21 H 1 1.258 0.000 . 1 . . . . . 110 THR HG21 . 27615 1 135 . 1 . 1 15 15 THR HG22 H 1 1.258 0.000 . 1 . . . . . 110 THR HG22 . 27615 1 136 . 1 . 1 15 15 THR HG23 H 1 1.258 0.000 . 1 . . . . . 110 THR HG23 . 27615 1 137 . 1 . 1 15 15 THR CA C 13 62.228 0.000 . 1 . . . . . 110 THR CA . 27615 1 138 . 1 . 1 15 15 THR CB C 13 69.548 0.000 . 1 . . . . . 110 THR CB . 27615 1 139 . 1 . 1 15 15 THR CG2 C 13 21.567 0.000 . 1 . . . . . 110 THR CG2 . 27615 1 140 . 1 . 1 15 15 THR N N 15 114.715 0.000 . 1 . . . . . 110 THR N . 27615 1 141 . 1 . 1 16 16 SER HA H 1 3.882 0.000 . 1 . . . . . 111 SER HA . 27615 1 142 . 1 . 1 16 16 SER HB2 H 1 3.009 0.000 . 1 . . . . . 111 SER HB2 . 27615 1 143 . 1 . 1 16 16 SER HB3 H 1 3.009 0.000 . 1 . . . . . 111 SER HB3 . 27615 1 144 . 1 . 1 16 16 SER CA C 13 59.294 0.000 . 1 . . . . . 111 SER CA . 27615 1 145 . 1 . 1 16 16 SER CB C 13 61.017 0.000 . 1 . . . . . 111 SER CB . 27615 1 146 . 1 . 1 18 18 ARG HA H 1 4.336 0.000 . 1 . . . . . 113 ARG HA . 27615 1 147 . 1 . 1 18 18 ARG HB2 H 1 1.864 0.000 . 2 . . . . . 113 ARG HB2 . 27615 1 148 . 1 . 1 18 18 ARG HB3 H 1 1.785 0.000 . 2 . . . . . 113 ARG HB3 . 27615 1 149 . 1 . 1 18 18 ARG HG2 H 1 1.672 0.000 . 1 . . . . . 113 ARG HG2 . 27615 1 150 . 1 . 1 18 18 ARG HG3 H 1 1.672 0.000 . 1 . . . . . 113 ARG HG3 . 27615 1 151 . 1 . 1 18 18 ARG HD2 H 1 3.203 0.000 . 1 . . . . . 113 ARG HD2 . 27615 1 152 . 1 . 1 18 18 ARG HD3 H 1 3.203 0.000 . 1 . . . . . 113 ARG HD3 . 27615 1 153 . 1 . 1 18 18 ARG C C 13 176.098 0.000 . 1 . . . . . 113 ARG C . 27615 1 154 . 1 . 1 18 18 ARG CA C 13 56.269 0.000 . 1 . . . . . 113 ARG CA . 27615 1 155 . 1 . 1 18 18 ARG CB C 13 30.855 0.000 . 1 . . . . . 113 ARG CB . 27615 1 156 . 1 . 1 18 18 ARG CG C 13 27.263 0.000 . 1 . . . . . 113 ARG CG . 27615 1 157 . 1 . 1 18 18 ARG CD C 13 43.356 0.000 . 1 . . . . . 113 ARG CD . 27615 1 158 . 1 . 1 19 19 LYS H H 1 8.260 0.000 . 1 . . . . . 114 LYS H . 27615 1 159 . 1 . 1 19 19 LYS HA H 1 4.320 0.000 . 1 . . . . . 114 LYS HA . 27615 1 160 . 1 . 1 19 19 LYS HB2 H 1 1.851 0.000 . 2 . . . . . 114 LYS HB2 . 27615 1 161 . 1 . 1 19 19 LYS HB3 H 1 1.795 0.000 . 2 . . . . . 114 LYS HB3 . 27615 1 162 . 1 . 1 19 19 LYS HG2 H 1 1.511 0.000 . 2 . . . . . 114 LYS HG2 . 27615 1 163 . 1 . 1 19 19 LYS HG3 H 1 1.427 0.000 . 2 . . . . . 114 LYS HG3 . 27615 1 164 . 1 . 1 19 19 LYS HD2 H 1 1.710 0.000 . 1 . . . . . 114 LYS HD2 . 27615 1 165 . 1 . 1 19 19 LYS HD3 H 1 1.710 0.000 . 1 . . . . . 114 LYS HD3 . 27615 1 166 . 1 . 1 19 19 LYS HE2 H 1 3.017 0.000 . 1 . . . . . 114 LYS HE2 . 27615 1 167 . 1 . 1 19 19 LYS HE3 H 1 3.017 0.000 . 1 . . . . . 114 LYS HE3 . 27615 1 168 . 1 . 1 19 19 LYS C C 13 176.332 0.000 . 1 . . . . . 114 LYS C . 27615 1 169 . 1 . 1 19 19 LYS CA C 13 56.480 0.000 . 1 . . . . . 114 LYS CA . 27615 1 170 . 1 . 1 19 19 LYS CB C 13 33.016 0.000 . 1 . . . . . 114 LYS CB . 27615 1 171 . 1 . 1 19 19 LYS CG C 13 24.763 0.000 . 1 . . . . . 114 LYS CG . 27615 1 172 . 1 . 1 19 19 LYS CD C 13 29.142 0.000 . 1 . . . . . 114 LYS CD . 27615 1 173 . 1 . 1 19 19 LYS CE C 13 42.107 0.000 . 1 . . . . . 114 LYS CE . 27615 1 174 . 1 . 1 19 19 LYS N N 15 122.841 0.000 . 1 . . . . . 114 LYS N . 27615 1 175 . 1 . 1 20 20 ARG H H 1 8.247 0.000 . 1 . . . . . 115 ARG H . 27615 1 176 . 1 . 1 20 20 ARG HA H 1 4.346 0.000 . 1 . . . . . 115 ARG HA . 27615 1 177 . 1 . 1 20 20 ARG HB2 H 1 1.876 0.000 . 2 . . . . . 115 ARG HB2 . 27615 1 178 . 1 . 1 20 20 ARG HB3 H 1 1.781 0.000 . 2 . . . . . 115 ARG HB3 . 27615 1 179 . 1 . 1 20 20 ARG HG2 H 1 1.652 0.000 . 1 . . . . . 115 ARG HG2 . 27615 1 180 . 1 . 1 20 20 ARG HG3 H 1 1.652 0.000 . 1 . . . . . 115 ARG HG3 . 27615 1 181 . 1 . 1 20 20 ARG HD2 H 1 3.201 0.000 . 1 . . . . . 115 ARG HD2 . 27615 1 182 . 1 . 1 20 20 ARG HD3 H 1 3.201 0.000 . 1 . . . . . 115 ARG HD3 . 27615 1 183 . 1 . 1 20 20 ARG C C 13 175.669 0.000 . 1 . . . . . 115 ARG C . 27615 1 184 . 1 . 1 20 20 ARG CA C 13 56.082 0.000 . 1 . . . . . 115 ARG CA . 27615 1 185 . 1 . 1 20 20 ARG CB C 13 30.954 0.000 . 1 . . . . . 115 ARG CB . 27615 1 186 . 1 . 1 20 20 ARG CG C 13 27.075 0.000 . 1 . . . . . 115 ARG CG . 27615 1 187 . 1 . 1 20 20 ARG CD C 13 43.360 0.000 . 1 . . . . . 115 ARG CD . 27615 1 188 . 1 . 1 20 20 ARG N N 15 122.511 0.000 . 1 . . . . . 115 ARG N . 27615 1 189 . 1 . 1 21 21 ALA H H 1 8.243 0.000 . 1 . . . . . 116 ALA H . 27615 1 190 . 1 . 1 21 21 ALA HA H 1 4.346 0.000 . 1 . . . . . 116 ALA HA . 27615 1 191 . 1 . 1 21 21 ALA HB1 H 1 1.449 0.000 . 1 . . . . . 116 ALA HB1 . 27615 1 192 . 1 . 1 21 21 ALA HB2 H 1 1.449 0.000 . 1 . . . . . 116 ALA HB2 . 27615 1 193 . 1 . 1 21 21 ALA HB3 H 1 1.449 0.000 . 1 . . . . . 116 ALA HB3 . 27615 1 194 . 1 . 1 21 21 ALA C C 13 177.302 0.000 . 1 . . . . . 116 ALA C . 27615 1 195 . 1 . 1 21 21 ALA CA C 13 52.411 0.000 . 1 . . . . . 116 ALA CA . 27615 1 196 . 1 . 1 21 21 ALA CB C 13 19.464 0.000 . 1 . . . . . 116 ALA CB . 27615 1 197 . 1 . 1 21 21 ALA N N 15 125.472 0.000 . 1 . . . . . 116 ALA N . 27615 1 198 . 1 . 1 22 22 LYS H H 1 8.173 0.000 . 1 . . . . . 117 LYS H . 27615 1 199 . 1 . 1 22 22 LYS HA H 1 4.302 0.000 . 1 . . . . . 117 LYS HA . 27615 1 200 . 1 . 1 22 22 LYS HB2 H 1 1.853 0.000 . 2 . . . . . 117 LYS HB2 . 27615 1 201 . 1 . 1 22 22 LYS HB3 H 1 1.789 0.000 . 2 . . . . . 117 LYS HB3 . 27615 1 202 . 1 . 1 22 22 LYS HG2 H 1 1.482 0.000 . 2 . . . . . 117 LYS HG2 . 27615 1 203 . 1 . 1 22 22 LYS HG3 H 1 1.421 0.000 . 2 . . . . . 117 LYS HG3 . 27615 1 204 . 1 . 1 22 22 LYS HD2 H 1 1.706 0.000 . 1 . . . . . 117 LYS HD2 . 27615 1 205 . 1 . 1 22 22 LYS HD3 H 1 1.706 0.000 . 1 . . . . . 117 LYS HD3 . 27615 1 206 . 1 . 1 22 22 LYS HE2 H 1 3.010 0.000 . 1 . . . . . 117 LYS HE2 . 27615 1 207 . 1 . 1 22 22 LYS HE3 H 1 3.010 0.000 . 1 . . . . . 117 LYS HE3 . 27615 1 208 . 1 . 1 22 22 LYS C C 13 176.364 0.000 . 1 . . . . . 117 LYS C . 27615 1 209 . 1 . 1 22 22 LYS CA C 13 56.642 0.000 . 1 . . . . . 117 LYS CA . 27615 1 210 . 1 . 1 22 22 LYS CB C 13 32.925 0.000 . 1 . . . . . 117 LYS CB . 27615 1 211 . 1 . 1 22 22 LYS CG C 13 24.770 0.000 . 1 . . . . . 117 LYS CG . 27615 1 212 . 1 . 1 22 22 LYS CD C 13 29.148 0.000 . 1 . . . . . 117 LYS CD . 27615 1 213 . 1 . 1 22 22 LYS CE C 13 42.107 0.000 . 1 . . . . . 117 LYS CE . 27615 1 214 . 1 . 1 22 22 LYS N N 15 120.510 0.000 . 1 . . . . . 117 LYS N . 27615 1 215 . 1 . 1 23 23 VAL H H 1 7.968 0.000 . 1 . . . . . 118 VAL H . 27615 1 216 . 1 . 1 23 23 VAL HA H 1 4.120 0.000 . 1 . . . . . 118 VAL HA . 27615 1 217 . 1 . 1 23 23 VAL HB H 1 2.055 0.000 . 1 . . . . . 118 VAL HB . 27615 1 218 . 1 . 1 23 23 VAL HG11 H 1 0.889 0.000 . 2 . . . . . 118 VAL HG11 . 27615 1 219 . 1 . 1 23 23 VAL HG12 H 1 0.889 0.000 . 2 . . . . . 118 VAL HG12 . 27615 1 220 . 1 . 1 23 23 VAL HG13 H 1 0.889 0.000 . 2 . . . . . 118 VAL HG13 . 27615 1 221 . 1 . 1 23 23 VAL HG21 H 1 0.933 0.000 . 2 . . . . . 118 VAL HG21 . 27615 1 222 . 1 . 1 23 23 VAL HG22 H 1 0.933 0.000 . 2 . . . . . 118 VAL HG22 . 27615 1 223 . 1 . 1 23 23 VAL HG23 H 1 0.933 0.000 . 2 . . . . . 118 VAL HG23 . 27615 1 224 . 1 . 1 23 23 VAL C C 13 175.657 0.000 . 1 . . . . . 118 VAL C . 27615 1 225 . 1 . 1 23 23 VAL CA C 13 62.324 0.000 . 1 . . . . . 118 VAL CA . 27615 1 226 . 1 . 1 23 23 VAL CB C 13 32.866 0.000 . 1 . . . . . 118 VAL CB . 27615 1 227 . 1 . 1 23 23 VAL CG1 C 13 21.176 0.000 . 2 . . . . . 118 VAL CG1 . 27615 1 228 . 1 . 1 23 23 VAL CG2 C 13 20.540 0.000 . 2 . . . . . 118 VAL CG2 . 27615 1 229 . 1 . 1 23 23 VAL N N 15 120.821 0.000 . 1 . . . . . 118 VAL N . 27615 1 230 . 1 . 1 24 24 GLU H H 1 8.322 0.000 . 1 . . . . . 119 GLU H . 27615 1 231 . 1 . 1 24 24 GLU HA H 1 4.305 0.000 . 1 . . . . . 119 GLU HA . 27615 1 232 . 1 . 1 24 24 GLU HB2 H 1 2.012 0.000 . 2 . . . . . 119 GLU HB2 . 27615 1 233 . 1 . 1 24 24 GLU HB3 H 1 1.914 0.000 . 2 . . . . . 119 GLU HB3 . 27615 1 234 . 1 . 1 24 24 GLU HG2 H 1 2.235 0.000 . 2 . . . . . 119 GLU HG2 . 27615 1 235 . 1 . 1 24 24 GLU HG3 H 1 2.196 0.000 . 2 . . . . . 119 GLU HG3 . 27615 1 236 . 1 . 1 24 24 GLU C C 13 175.722 0.000 . 1 . . . . . 119 GLU C . 27615 1 237 . 1 . 1 24 24 GLU CA C 13 56.370 0.000 . 1 . . . . . 119 GLU CA . 27615 1 238 . 1 . 1 24 24 GLU CB C 13 30.455 0.000 . 1 . . . . . 119 GLU CB . 27615 1 239 . 1 . 1 24 24 GLU CG C 13 36.245 0.000 . 1 . . . . . 119 GLU CG . 27615 1 240 . 1 . 1 24 24 GLU N N 15 123.636 0.000 . 1 . . . . . 119 GLU N . 27615 1 241 . 1 . 1 25 25 TYR H H 1 8.046 0.000 . 1 . . . . . 120 TYR H . 27615 1 242 . 1 . 1 25 25 TYR HA H 1 4.594 0.000 . 1 . . . . . 120 TYR HA . 27615 1 243 . 1 . 1 25 25 TYR HB2 H 1 3.077 0.000 . 2 . . . . . 120 TYR HB2 . 27615 1 244 . 1 . 1 25 25 TYR HB3 H 1 3.019 0.000 . 2 . . . . . 120 TYR HB3 . 27615 1 245 . 1 . 1 25 25 TYR C C 13 175.317 0.000 . 1 . . . . . 120 TYR C . 27615 1 246 . 1 . 1 25 25 TYR CA C 13 57.983 0.000 . 1 . . . . . 120 TYR CA . 27615 1 247 . 1 . 1 25 25 TYR CB C 13 38.668 0.000 . 1 . . . . . 120 TYR CB . 27615 1 248 . 1 . 1 25 25 TYR N N 15 121.180 0.000 . 1 . . . . . 120 TYR N . 27615 1 249 . 1 . 1 26 26 ARG H H 1 8.053 0.000 . 1 . . . . . 121 ARG H . 27615 1 250 . 1 . 1 26 26 ARG HA H 1 4.339 0.000 . 1 . . . . . 121 ARG HA . 27615 1 251 . 1 . 1 26 26 ARG HB2 H 1 1.864 0.000 . 2 . . . . . 121 ARG HB2 . 27615 1 252 . 1 . 1 26 26 ARG HB3 H 1 1.766 0.000 . 2 . . . . . 121 ARG HB3 . 27615 1 253 . 1 . 1 26 26 ARG HG2 H 1 1.597 0.000 . 1 . . . . . 121 ARG HG2 . 27615 1 254 . 1 . 1 26 26 ARG HG3 H 1 1.597 0.000 . 1 . . . . . 121 ARG HG3 . 27615 1 255 . 1 . 1 26 26 ARG HD2 H 1 3.225 0.000 . 1 . . . . . 121 ARG HD2 . 27615 1 256 . 1 . 1 26 26 ARG HD3 H 1 3.225 0.000 . 1 . . . . . 121 ARG HD3 . 27615 1 257 . 1 . 1 26 26 ARG C C 13 175.621 0.000 . 1 . . . . . 121 ARG C . 27615 1 258 . 1 . 1 26 26 ARG CA C 13 55.896 0.000 . 1 . . . . . 121 ARG CA . 27615 1 259 . 1 . 1 26 26 ARG CB C 13 31.082 0.000 . 1 . . . . . 121 ARG CB . 27615 1 260 . 1 . 1 26 26 ARG CG C 13 26.932 0.000 . 1 . . . . . 121 ARG CG . 27615 1 261 . 1 . 1 26 26 ARG CD C 13 43.357 0.000 . 1 . . . . . 121 ARG CD . 27615 1 262 . 1 . 1 26 26 ARG N N 15 122.751 0.000 . 1 . . . . . 121 ARG N . 27615 1 263 . 1 . 1 27 27 GLU H H 1 8.334 0.000 . 1 . . . . . 122 GLU H . 27615 1 264 . 1 . 1 27 27 GLU HA H 1 4.252 0.000 . 1 . . . . . 122 GLU HA . 27615 1 265 . 1 . 1 27 27 GLU HB2 H 1 2.115 0.000 . 2 . . . . . 122 GLU HB2 . 27615 1 266 . 1 . 1 27 27 GLU HB3 H 1 1.995 0.000 . 2 . . . . . 122 GLU HB3 . 27615 1 267 . 1 . 1 27 27 GLU HG2 H 1 2.333 0.000 . 1 . . . . . 122 GLU HG2 . 27615 1 268 . 1 . 1 27 27 GLU HG3 H 1 2.333 0.000 . 1 . . . . . 122 GLU HG3 . 27615 1 269 . 1 . 1 27 27 GLU C C 13 176.363 0.000 . 1 . . . . . 122 GLU C . 27615 1 270 . 1 . 1 27 27 GLU CA C 13 56.860 0.000 . 1 . . . . . 122 GLU CA . 27615 1 271 . 1 . 1 27 27 GLU CB C 13 29.880 0.000 . 1 . . . . . 122 GLU CB . 27615 1 272 . 1 . 1 27 27 GLU CG C 13 36.324 0.000 . 1 . . . . . 122 GLU CG . 27615 1 273 . 1 . 1 27 27 GLU N N 15 121.555 0.000 . 1 . . . . . 122 GLU N . 27615 1 274 . 1 . 1 28 28 MET H H 1 8.208 0.000 . 1 . . . . . 123 MET H . 27615 1 275 . 1 . 1 28 28 MET HA H 1 4.470 0.000 . 1 . . . . . 123 MET HA . 27615 1 276 . 1 . 1 28 28 MET HB2 H 1 2.138 0.000 . 2 . . . . . 123 MET HB2 . 27615 1 277 . 1 . 1 28 28 MET HB3 H 1 2.055 0.000 . 2 . . . . . 123 MET HB3 . 27615 1 278 . 1 . 1 28 28 MET HG2 H 1 2.608 0.000 . 2 . . . . . 123 MET HG2 . 27615 1 279 . 1 . 1 28 28 MET HG3 H 1 2.565 0.000 . 2 . . . . . 123 MET HG3 . 27615 1 280 . 1 . 1 28 28 MET C C 13 175.628 0.000 . 1 . . . . . 123 MET C . 27615 1 281 . 1 . 1 28 28 MET CA C 13 55.696 0.000 . 1 . . . . . 123 MET CA . 27615 1 282 . 1 . 1 28 28 MET CB C 13 32.882 0.000 . 1 . . . . . 123 MET CB . 27615 1 283 . 1 . 1 28 28 MET CG C 13 31.950 0.000 . 1 . . . . . 123 MET CG . 27615 1 284 . 1 . 1 28 28 MET N N 15 120.336 0.000 . 1 . . . . . 123 MET N . 27615 1 285 . 1 . 1 29 29 ASP H H 1 8.149 0.000 . 1 . . . . . 124 ASP H . 27615 1 286 . 1 . 1 29 29 ASP HA H 1 4.636 0.000 . 1 . . . . . 124 ASP HA . 27615 1 287 . 1 . 1 29 29 ASP HB2 H 1 2.788 0.000 . 2 . . . . . 124 ASP HB2 . 27615 1 288 . 1 . 1 29 29 ASP HB3 H 1 2.710 0.000 . 2 . . . . . 124 ASP HB3 . 27615 1 289 . 1 . 1 29 29 ASP C C 13 176.518 0.000 . 1 . . . . . 124 ASP C . 27615 1 290 . 1 . 1 29 29 ASP CA C 13 54.358 0.000 . 1 . . . . . 124 ASP CA . 27615 1 291 . 1 . 1 29 29 ASP CB C 13 41.265 0.000 . 1 . . . . . 124 ASP CB . 27615 1 292 . 1 . 1 29 29 ASP N N 15 121.367 0.000 . 1 . . . . . 124 ASP N . 27615 1 293 . 1 . 1 30 30 GLU H H 1 8.450 0.000 . 1 . . . . . 125 GLU H . 27615 1 294 . 1 . 1 30 30 GLU HA H 1 4.258 0.000 . 1 . . . . . 125 GLU HA . 27615 1 295 . 1 . 1 30 30 GLU HB2 H 1 2.154 0.000 . 2 . . . . . 125 GLU HB2 . 27615 1 296 . 1 . 1 30 30 GLU HB3 H 1 2.034 0.000 . 2 . . . . . 125 GLU HB3 . 27615 1 297 . 1 . 1 30 30 GLU HG2 H 1 2.332 0.000 . 1 . . . . . 125 GLU HG2 . 27615 1 298 . 1 . 1 30 30 GLU HG3 H 1 2.332 0.000 . 1 . . . . . 125 GLU HG3 . 27615 1 299 . 1 . 1 30 30 GLU C C 13 176.828 0.000 . 1 . . . . . 125 GLU C . 27615 1 300 . 1 . 1 30 30 GLU CA C 13 57.487 0.000 . 1 . . . . . 125 GLU CA . 27615 1 301 . 1 . 1 30 30 GLU CB C 13 29.828 0.000 . 1 . . . . . 125 GLU CB . 27615 1 302 . 1 . 1 30 30 GLU CG C 13 36.331 0.000 . 1 . . . . . 125 GLU CG . 27615 1 303 . 1 . 1 30 30 GLU N N 15 122.586 0.000 . 1 . . . . . 125 GLU N . 27615 1 304 . 1 . 1 31 31 SER H H 1 8.325 0.000 . 1 . . . . . 126 SER H . 27615 1 305 . 1 . 1 31 31 SER HA H 1 4.401 0.000 . 1 . . . . . 126 SER HA . 27615 1 306 . 1 . 1 31 31 SER HB2 H 1 3.956 0.000 . 1 . . . . . 126 SER HB2 . 27615 1 307 . 1 . 1 31 31 SER HB3 H 1 3.956 0.000 . 1 . . . . . 126 SER HB3 . 27615 1 308 . 1 . 1 31 31 SER C C 13 174.919 0.000 . 1 . . . . . 126 SER C . 27615 1 309 . 1 . 1 31 31 SER CA C 13 59.449 0.000 . 1 . . . . . 126 SER CA . 27615 1 310 . 1 . 1 31 31 SER CB C 13 63.499 0.000 . 1 . . . . . 126 SER CB . 27615 1 311 . 1 . 1 31 31 SER N N 15 116.185 0.000 . 1 . . . . . 126 SER N . 27615 1 312 . 1 . 1 32 32 LEU H H 1 7.874 0.000 . 1 . . . . . 127 LEU H . 27615 1 313 . 1 . 1 32 32 LEU HA H 1 4.382 0.000 . 1 . . . . . 127 LEU HA . 27615 1 314 . 1 . 1 32 32 LEU HB2 H 1 1.728 0.000 . 2 . . . . . 127 LEU HB2 . 27615 1 315 . 1 . 1 32 32 LEU HB3 H 1 1.655 0.000 . 2 . . . . . 127 LEU HB3 . 27615 1 316 . 1 . 1 32 32 LEU HD11 H 1 0.967 0.000 . 2 . . . . . 127 LEU HD11 . 27615 1 317 . 1 . 1 32 32 LEU HD12 H 1 0.967 0.000 . 2 . . . . . 127 LEU HD12 . 27615 1 318 . 1 . 1 32 32 LEU HD13 H 1 0.967 0.000 . 2 . . . . . 127 LEU HD13 . 27615 1 319 . 1 . 1 32 32 LEU HD21 H 1 0.891 0.000 . 2 . . . . . 127 LEU HD21 . 27615 1 320 . 1 . 1 32 32 LEU HD22 H 1 0.891 0.000 . 2 . . . . . 127 LEU HD22 . 27615 1 321 . 1 . 1 32 32 LEU HD23 H 1 0.891 0.000 . 2 . . . . . 127 LEU HD23 . 27615 1 322 . 1 . 1 32 32 LEU C C 13 177.241 0.000 . 1 . . . . . 127 LEU C . 27615 1 323 . 1 . 1 32 32 LEU CA C 13 55.233 0.000 . 1 . . . . . 127 LEU CA . 27615 1 324 . 1 . 1 32 32 LEU CB C 13 42.020 0.000 . 1 . . . . . 127 LEU CB . 27615 1 325 . 1 . 1 32 32 LEU CD1 C 13 25.229 0.000 . 2 . . . . . 127 LEU CD1 . 27615 1 326 . 1 . 1 32 32 LEU CD2 C 13 23.253 0.000 . 2 . . . . . 127 LEU CD2 . 27615 1 327 . 1 . 1 32 32 LEU N N 15 123.021 0.000 . 1 . . . . . 127 LEU N . 27615 1 328 . 1 . 1 33 33 ALA H H 1 7.898 0.000 . 1 . . . . . 128 ALA H . 27615 1 329 . 1 . 1 33 33 ALA HA H 1 4.270 0.000 . 1 . . . . . 128 ALA HA . 27615 1 330 . 1 . 1 33 33 ALA HB1 H 1 1.422 0.000 . 1 . . . . . 128 ALA HB1 . 27615 1 331 . 1 . 1 33 33 ALA HB2 H 1 1.422 0.000 . 1 . . . . . 128 ALA HB2 . 27615 1 332 . 1 . 1 33 33 ALA HB3 H 1 1.422 0.000 . 1 . . . . . 128 ALA HB3 . 27615 1 333 . 1 . 1 33 33 ALA C C 13 177.363 0.000 . 1 . . . . . 128 ALA C . 27615 1 334 . 1 . 1 33 33 ALA CA C 13 52.994 0.000 . 1 . . . . . 128 ALA CA . 27615 1 335 . 1 . 1 33 33 ALA CB C 13 19.111 0.000 . 1 . . . . . 128 ALA CB . 27615 1 336 . 1 . 1 33 33 ALA N N 15 123.171 0.000 . 1 . . . . . 128 ALA N . 27615 1 337 . 1 . 1 34 34 ASN H H 1 8.146 0.000 . 1 . . . . . 129 ASN H . 27615 1 338 . 1 . 1 34 34 ASN HA H 1 4.736 0.000 . 1 . . . . . 129 ASN HA . 27615 1 339 . 1 . 1 34 34 ASN HB2 H 1 2.895 0.000 . 2 . . . . . 129 ASN HB2 . 27615 1 340 . 1 . 1 34 34 ASN HB3 H 1 2.788 0.000 . 2 . . . . . 129 ASN HB3 . 27615 1 341 . 1 . 1 34 34 ASN C C 13 175.005 0.000 . 1 . . . . . 129 ASN C . 27615 1 342 . 1 . 1 34 34 ASN CA C 13 53.197 0.000 . 1 . . . . . 129 ASN CA . 27615 1 343 . 1 . 1 34 34 ASN CB C 13 38.641 0.000 . 1 . . . . . 129 ASN CB . 27615 1 344 . 1 . 1 34 34 ASN N N 15 116.734 0.000 . 1 . . . . . 129 ASN N . 27615 1 345 . 1 . 1 35 35 LEU H H 1 7.963 0.000 . 1 . . . . . 130 LEU H . 27615 1 346 . 1 . 1 35 35 LEU HA H 1 4.417 0.000 . 1 . . . . . 130 LEU HA . 27615 1 347 . 1 . 1 35 35 LEU HB2 H 1 1.722 0.000 . 2 . . . . . 130 LEU HB2 . 27615 1 348 . 1 . 1 35 35 LEU HB3 H 1 1.648 0.000 . 2 . . . . . 130 LEU HB3 . 27615 1 349 . 1 . 1 35 35 LEU HD11 H 1 0.940 0.000 . 2 . . . . . 130 LEU HD11 . 27615 1 350 . 1 . 1 35 35 LEU HD12 H 1 0.940 0.000 . 2 . . . . . 130 LEU HD12 . 27615 1 351 . 1 . 1 35 35 LEU HD13 H 1 0.940 0.000 . 2 . . . . . 130 LEU HD13 . 27615 1 352 . 1 . 1 35 35 LEU HD21 H 1 0.879 0.000 . 2 . . . . . 130 LEU HD21 . 27615 1 353 . 1 . 1 35 35 LEU HD22 H 1 0.879 0.000 . 2 . . . . . 130 LEU HD22 . 27615 1 354 . 1 . 1 35 35 LEU HD23 H 1 0.879 0.000 . 2 . . . . . 130 LEU HD23 . 27615 1 355 . 1 . 1 35 35 LEU C C 13 177.302 0.000 . 1 . . . . . 130 LEU C . 27615 1 356 . 1 . 1 35 35 LEU CA C 13 55.225 0.000 . 1 . . . . . 130 LEU CA . 27615 1 357 . 1 . 1 35 35 LEU CB C 13 42.294 0.000 . 1 . . . . . 130 LEU CB . 27615 1 358 . 1 . 1 35 35 LEU CD1 C 13 25.151 0.000 . 2 . . . . . 130 LEU CD1 . 27615 1 359 . 1 . 1 35 35 LEU CD2 C 13 23.224 0.000 . 2 . . . . . 130 LEU CD2 . 27615 1 360 . 1 . 1 35 35 LEU N N 15 122.135 0.000 . 1 . . . . . 130 LEU N . 27615 1 361 . 1 . 1 36 36 SER H H 1 8.258 0.000 . 1 . . . . . 131 SER H . 27615 1 362 . 1 . 1 36 36 SER HA H 1 4.504 0.000 . 1 . . . . . 131 SER HA . 27615 1 363 . 1 . 1 36 36 SER HB2 H 1 3.964 0.000 . 1 . . . . . 131 SER HB2 . 27615 1 364 . 1 . 1 36 36 SER HB3 H 1 3.964 0.000 . 1 . . . . . 131 SER HB3 . 27615 1 365 . 1 . 1 36 36 SER C C 13 174.637 0.000 . 1 . . . . . 131 SER C . 27615 1 366 . 1 . 1 36 36 SER CA C 13 58.370 0.000 . 1 . . . . . 131 SER CA . 27615 1 367 . 1 . 1 36 36 SER CB C 13 63.873 0.000 . 1 . . . . . 131 SER CB . 27615 1 368 . 1 . 1 36 36 SER N N 15 116.529 0.000 . 1 . . . . . 131 SER N . 27615 1 369 . 1 . 1 37 37 GLU H H 1 8.402 0.000 . 1 . . . . . 132 GLU H . 27615 1 370 . 1 . 1 37 37 GLU HA H 1 4.285 0.000 . 1 . . . . . 132 GLU HA . 27615 1 371 . 1 . 1 37 37 GLU HB2 H 1 2.141 0.000 . 2 . . . . . 132 GLU HB2 . 27615 1 372 . 1 . 1 37 37 GLU HB3 H 1 2.007 0.000 . 2 . . . . . 132 GLU HB3 . 27615 1 373 . 1 . 1 37 37 GLU HG2 H 1 2.330 0.000 . 1 . . . . . 132 GLU HG2 . 27615 1 374 . 1 . 1 37 37 GLU HG3 H 1 2.330 0.000 . 1 . . . . . 132 GLU HG3 . 27615 1 375 . 1 . 1 37 37 GLU C C 13 176.276 0.000 . 1 . . . . . 132 GLU C . 27615 1 376 . 1 . 1 37 37 GLU CA C 13 57.214 0.000 . 1 . . . . . 132 GLU CA . 27615 1 377 . 1 . 1 37 37 GLU CB C 13 30.107 0.000 . 1 . . . . . 132 GLU CB . 27615 1 378 . 1 . 1 37 37 GLU CG C 13 36.366 0.000 . 1 . . . . . 132 GLU CG . 27615 1 379 . 1 . 1 37 37 GLU N N 15 122.586 0.000 . 1 . . . . . 132 GLU N . 27615 1 380 . 1 . 1 38 38 ASP H H 1 8.163 0.000 . 1 . . . . . 133 ASP H . 27615 1 381 . 1 . 1 38 38 ASP HA H 1 4.581 0.000 . 1 . . . . . 133 ASP HA . 27615 1 382 . 1 . 1 38 38 ASP HB2 H 1 2.720 0.000 . 2 . . . . . 133 ASP HB2 . 27615 1 383 . 1 . 1 38 38 ASP HB3 H 1 2.644 0.000 . 2 . . . . . 133 ASP HB3 . 27615 1 384 . 1 . 1 38 38 ASP C C 13 176.321 0.000 . 1 . . . . . 133 ASP C . 27615 1 385 . 1 . 1 38 38 ASP CA C 13 54.874 0.000 . 1 . . . . . 133 ASP CA . 27615 1 386 . 1 . 1 38 38 ASP CB C 13 41.240 0.000 . 1 . . . . . 133 ASP CB . 27615 1 387 . 1 . 1 38 38 ASP N N 15 119.922 0.000 . 1 . . . . . 133 ASP N . 27615 1 388 . 1 . 1 39 39 GLU H H 1 8.053 0.000 . 1 . . . . . 134 GLU H . 27615 1 389 . 1 . 1 39 39 GLU HA H 1 4.233 0.000 . 1 . . . . . 134 GLU HA . 27615 1 390 . 1 . 1 39 39 GLU HB2 H 1 1.936 0.000 . 1 . . . . . 134 GLU HB2 . 27615 1 391 . 1 . 1 39 39 GLU HB3 H 1 1.936 0.000 . 1 . . . . . 134 GLU HB3 . 27615 1 392 . 1 . 1 39 39 GLU HG2 H 1 2.199 0.000 . 2 . . . . . 134 GLU HG2 . 27615 1 393 . 1 . 1 39 39 GLU HG3 H 1 2.153 0.000 . 2 . . . . . 134 GLU HG3 . 27615 1 394 . 1 . 1 39 39 GLU C C 13 175.957 0.000 . 1 . . . . . 134 GLU C . 27615 1 395 . 1 . 1 39 39 GLU CA C 13 56.789 0.000 . 1 . . . . . 134 GLU CA . 27615 1 396 . 1 . 1 39 39 GLU CB C 13 30.460 0.000 . 1 . . . . . 134 GLU CB . 27615 1 397 . 1 . 1 39 39 GLU CG C 13 36.324 0.000 . 1 . . . . . 134 GLU CG . 27615 1 398 . 1 . 1 39 39 GLU N N 15 120.313 0.000 . 1 . . . . . 134 GLU N . 27615 1 399 . 1 . 1 40 40 TYR H H 1 8.005 0.000 . 1 . . . . . 135 TYR H . 27615 1 400 . 1 . 1 40 40 TYR HA H 1 4.515 0.000 . 1 . . . . . 135 TYR HA . 27615 1 401 . 1 . 1 40 40 TYR HB2 H 1 2.959 0.000 . 2 . . . . . 135 TYR HB2 . 27615 1 402 . 1 . 1 40 40 TYR HB3 H 1 2.928 0.000 . 2 . . . . . 135 TYR HB3 . 27615 1 403 . 1 . 1 40 40 TYR C C 13 175.364 0.000 . 1 . . . . . 135 TYR C . 27615 1 404 . 1 . 1 40 40 TYR CA C 13 58.464 0.000 . 1 . . . . . 135 TYR CA . 27615 1 405 . 1 . 1 40 40 TYR CB C 13 38.925 0.000 . 1 . . . . . 135 TYR CB . 27615 1 406 . 1 . 1 40 40 TYR N N 15 120.336 0.000 . 1 . . . . . 135 TYR N . 27615 1 407 . 1 . 1 41 41 TYR H H 1 7.923 0.000 . 1 . . . . . 136 TYR H . 27615 1 408 . 1 . 1 41 41 TYR HA H 1 4.599 0.000 . 1 . . . . . 136 TYR HA . 27615 1 409 . 1 . 1 41 41 TYR HB2 H 1 3.104 0.000 . 2 . . . . . 136 TYR HB2 . 27615 1 410 . 1 . 1 41 41 TYR HB3 H 1 2.928 0.000 . 2 . . . . . 136 TYR HB3 . 27615 1 411 . 1 . 1 41 41 TYR C C 13 175.526 0.000 . 1 . . . . . 136 TYR C . 27615 1 412 . 1 . 1 41 41 TYR CA C 13 57.929 0.000 . 1 . . . . . 136 TYR CA . 27615 1 413 . 1 . 1 41 41 TYR CB C 13 39.205 0.000 . 1 . . . . . 136 TYR CB . 27615 1 414 . 1 . 1 41 41 TYR N N 15 121.367 0.000 . 1 . . . . . 136 TYR N . 27615 1 415 . 1 . 1 42 42 SER H H 1 8.245 0.000 . 1 . . . . . 137 SER H . 27615 1 416 . 1 . 1 42 42 SER HA H 1 4.486 0.000 . 1 . . . . . 137 SER HA . 27615 1 417 . 1 . 1 42 42 SER HB2 H 1 4.121 0.000 . 2 . . . . . 137 SER HB2 . 27615 1 418 . 1 . 1 42 42 SER HB3 H 1 3.948 0.000 . 2 . . . . . 137 SER HB3 . 27615 1 419 . 1 . 1 42 42 SER C C 13 174.659 0.000 . 1 . . . . . 137 SER C . 27615 1 420 . 1 . 1 42 42 SER CA C 13 57.916 0.000 . 1 . . . . . 137 SER CA . 27615 1 421 . 1 . 1 42 42 SER CB C 13 64.419 0.000 . 1 . . . . . 137 SER CB . 27615 1 422 . 1 . 1 42 42 SER N N 15 117.618 0.000 . 1 . . . . . 137 SER N . 27615 1 423 . 1 . 1 43 43 GLU H H 1 8.567 0.000 . 1 . . . . . 138 GLU H . 27615 1 424 . 1 . 1 43 43 GLU HA H 1 4.146 0.000 . 1 . . . . . 138 GLU HA . 27615 1 425 . 1 . 1 43 43 GLU HB2 H 1 2.077 0.000 . 1 . . . . . 138 GLU HB2 . 27615 1 426 . 1 . 1 43 43 GLU HB3 H 1 2.077 0.000 . 1 . . . . . 138 GLU HB3 . 27615 1 427 . 1 . 1 43 43 GLU HG2 H 1 2.363 0.000 . 1 . . . . . 138 GLU HG2 . 27615 1 428 . 1 . 1 43 43 GLU HG3 H 1 2.363 0.000 . 1 . . . . . 138 GLU HG3 . 27615 1 429 . 1 . 1 43 43 GLU C C 13 177.348 0.000 . 1 . . . . . 138 GLU C . 27615 1 430 . 1 . 1 43 43 GLU CA C 13 58.295 0.000 . 1 . . . . . 138 GLU CA . 27615 1 431 . 1 . 1 43 43 GLU CB C 13 29.645 0.000 . 1 . . . . . 138 GLU CB . 27615 1 432 . 1 . 1 43 43 GLU CG C 13 36.327 0.000 . 1 . . . . . 138 GLU CG . 27615 1 433 . 1 . 1 43 43 GLU N N 15 123.430 0.000 . 1 . . . . . 138 GLU N . 27615 1 434 . 1 . 1 44 44 GLU H H 1 8.354 0.000 . 1 . . . . . 139 GLU H . 27615 1 435 . 1 . 1 44 44 GLU HA H 1 4.187 0.000 . 1 . . . . . 139 GLU HA . 27615 1 436 . 1 . 1 44 44 GLU HB2 H 1 2.055 0.000 . 1 . . . . . 139 GLU HB2 . 27615 1 437 . 1 . 1 44 44 GLU HB3 H 1 2.055 0.000 . 1 . . . . . 139 GLU HB3 . 27615 1 438 . 1 . 1 44 44 GLU HG2 H 1 2.333 0.000 . 1 . . . . . 139 GLU HG2 . 27615 1 439 . 1 . 1 44 44 GLU HG3 H 1 2.333 0.000 . 1 . . . . . 139 GLU HG3 . 27615 1 440 . 1 . 1 44 44 GLU C C 13 178.050 0.000 . 1 . . . . . 139 GLU C . 27615 1 441 . 1 . 1 44 44 GLU CA C 13 58.464 0.000 . 1 . . . . . 139 GLU CA . 27615 1 442 . 1 . 1 44 44 GLU CB C 13 29.639 0.000 . 1 . . . . . 139 GLU CB . 27615 1 443 . 1 . 1 44 44 GLU CG C 13 36.359 0.000 . 1 . . . . . 139 GLU CG . 27615 1 444 . 1 . 1 44 44 GLU N N 15 119.713 0.000 . 1 . . . . . 139 GLU N . 27615 1 445 . 1 . 1 45 45 GLU H H 1 7.995 0.000 . 1 . . . . . 140 GLU H . 27615 1 446 . 1 . 1 45 45 GLU HA H 1 4.186 0.000 . 1 . . . . . 140 GLU HA . 27615 1 447 . 1 . 1 45 45 GLU HB2 H 1 2.106 0.000 . 1 . . . . . 140 GLU HB2 . 27615 1 448 . 1 . 1 45 45 GLU HB3 H 1 2.106 0.000 . 1 . . . . . 140 GLU HB3 . 27615 1 449 . 1 . 1 45 45 GLU HG2 H 1 2.315 0.000 . 1 . . . . . 140 GLU HG2 . 27615 1 450 . 1 . 1 45 45 GLU HG3 H 1 2.315 0.000 . 1 . . . . . 140 GLU HG3 . 27615 1 451 . 1 . 1 45 45 GLU C C 13 177.769 0.000 . 1 . . . . . 140 GLU C . 27615 1 452 . 1 . 1 45 45 GLU CA C 13 57.942 0.000 . 1 . . . . . 140 GLU CA . 27615 1 453 . 1 . 1 45 45 GLU CB C 13 29.828 0.000 . 1 . . . . . 140 GLU CB . 27615 1 454 . 1 . 1 45 45 GLU CG C 13 36.416 0.000 . 1 . . . . . 140 GLU CG . 27615 1 455 . 1 . 1 45 45 GLU N N 15 120.868 0.000 . 1 . . . . . 140 GLU N . 27615 1 456 . 1 . 1 46 46 ARG H H 1 8.112 0.000 . 1 . . . . . 141 ARG H . 27615 1 457 . 1 . 1 46 46 ARG HA H 1 4.078 0.000 . 1 . . . . . 141 ARG HA . 27615 1 458 . 1 . 1 46 46 ARG HB2 H 1 1.876 0.000 . 1 . . . . . 141 ARG HB2 . 27615 1 459 . 1 . 1 46 46 ARG HB3 H 1 1.876 0.000 . 1 . . . . . 141 ARG HB3 . 27615 1 460 . 1 . 1 46 46 ARG HG2 H 1 1.706 0.000 . 2 . . . . . 141 ARG HG2 . 27615 1 461 . 1 . 1 46 46 ARG HG3 H 1 1.602 0.000 . 2 . . . . . 141 ARG HG3 . 27615 1 462 . 1 . 1 46 46 ARG HD2 H 1 3.221 0.000 . 1 . . . . . 141 ARG HD2 . 27615 1 463 . 1 . 1 46 46 ARG HD3 H 1 3.221 0.000 . 1 . . . . . 141 ARG HD3 . 27615 1 464 . 1 . 1 46 46 ARG C C 13 177.536 0.000 . 1 . . . . . 141 ARG C . 27615 1 465 . 1 . 1 46 46 ARG CA C 13 58.083 0.000 . 1 . . . . . 141 ARG CA . 27615 1 466 . 1 . 1 46 46 ARG CB C 13 30.259 0.000 . 1 . . . . . 141 ARG CB . 27615 1 467 . 1 . 1 46 46 ARG CG C 13 27.268 0.000 . 1 . . . . . 141 ARG CG . 27615 1 468 . 1 . 1 46 46 ARG CD C 13 43.358 0.000 . 1 . . . . . 141 ARG CD . 27615 1 469 . 1 . 1 46 46 ARG N N 15 120.881 0.000 . 1 . . . . . 141 ARG N . 27615 1 470 . 1 . 1 47 47 ASN H H 1 8.258 0.000 . 1 . . . . . 142 ASN H . 27615 1 471 . 1 . 1 47 47 ASN HA H 1 4.647 0.000 . 1 . . . . . 142 ASN HA . 27615 1 472 . 1 . 1 47 47 ASN HB2 H 1 2.888 0.000 . 2 . . . . . 142 ASN HB2 . 27615 1 473 . 1 . 1 47 47 ASN HB3 H 1 2.848 0.000 . 2 . . . . . 142 ASN HB3 . 27615 1 474 . 1 . 1 47 47 ASN C C 13 175.824 0.000 . 1 . . . . . 142 ASN C . 27615 1 475 . 1 . 1 47 47 ASN CA C 13 54.258 0.000 . 1 . . . . . 142 ASN CA . 27615 1 476 . 1 . 1 47 47 ASN CB C 13 38.405 0.000 . 1 . . . . . 142 ASN CB . 27615 1 477 . 1 . 1 47 47 ASN N N 15 118.555 0.000 . 1 . . . . . 142 ASN N . 27615 1 478 . 1 . 1 48 48 ALA H H 1 7.937 0.000 . 1 . . . . . 143 ALA H . 27615 1 479 . 1 . 1 48 48 ALA HA H 1 4.281 0.000 . 1 . . . . . 143 ALA HA . 27615 1 480 . 1 . 1 48 48 ALA HB1 H 1 1.492 0.000 . 1 . . . . . 143 ALA HB1 . 27615 1 481 . 1 . 1 48 48 ALA HB2 H 1 1.492 0.000 . 1 . . . . . 143 ALA HB2 . 27615 1 482 . 1 . 1 48 48 ALA HB3 H 1 1.492 0.000 . 1 . . . . . 143 ALA HB3 . 27615 1 483 . 1 . 1 48 48 ALA C C 13 178.660 0.000 . 1 . . . . . 143 ALA C . 27615 1 484 . 1 . 1 48 48 ALA CA C 13 53.790 0.000 . 1 . . . . . 143 ALA CA . 27615 1 485 . 1 . 1 48 48 ALA CB C 13 18.791 0.000 . 1 . . . . . 143 ALA CB . 27615 1 486 . 1 . 1 48 48 ALA N N 15 123.592 0.000 . 1 . . . . . 143 ALA N . 27615 1 487 . 1 . 1 49 49 LYS H H 1 7.923 0.000 . 1 . . . . . 144 LYS H . 27615 1 488 . 1 . 1 49 49 LYS HA H 1 4.225 0.000 . 1 . . . . . 144 LYS HA . 27615 1 489 . 1 . 1 49 49 LYS HB2 H 1 1.919 0.000 . 2 . . . . . 144 LYS HB2 . 27615 1 490 . 1 . 1 49 49 LYS HB3 H 1 1.841 0.000 . 2 . . . . . 144 LYS HB3 . 27615 1 491 . 1 . 1 49 49 LYS HG2 H 1 1.527 0.000 . 2 . . . . . 144 LYS HG2 . 27615 1 492 . 1 . 1 49 49 LYS HG3 H 1 1.451 0.000 . 2 . . . . . 144 LYS HG3 . 27615 1 493 . 1 . 1 49 49 LYS HD2 H 1 1.697 0.000 . 1 . . . . . 144 LYS HD2 . 27615 1 494 . 1 . 1 49 49 LYS HD3 H 1 1.697 0.000 . 1 . . . . . 144 LYS HD3 . 27615 1 495 . 1 . 1 49 49 LYS HE2 H 1 3.007 0.000 . 1 . . . . . 144 LYS HE2 . 27615 1 496 . 1 . 1 49 49 LYS HE3 H 1 3.007 0.000 . 1 . . . . . 144 LYS HE3 . 27615 1 497 . 1 . 1 49 49 LYS C C 13 176.903 0.000 . 1 . . . . . 144 LYS C . 27615 1 498 . 1 . 1 49 49 LYS CA C 13 57.271 0.000 . 1 . . . . . 144 LYS CA . 27615 1 499 . 1 . 1 49 49 LYS CB C 13 32.631 0.000 . 1 . . . . . 144 LYS CB . 27615 1 500 . 1 . 1 49 49 LYS CG C 13 24.810 0.000 . 1 . . . . . 144 LYS CG . 27615 1 501 . 1 . 1 49 49 LYS CD C 13 29.138 0.000 . 1 . . . . . 144 LYS CD . 27615 1 502 . 1 . 1 49 49 LYS CE C 13 42.100 0.000 . 1 . . . . . 144 LYS CE . 27615 1 503 . 1 . 1 49 49 LYS N N 15 119.305 0.000 . 1 . . . . . 144 LYS N . 27615 1 504 . 1 . 1 50 50 ALA H H 1 7.883 0.000 . 1 . . . . . 145 ALA H . 27615 1 505 . 1 . 1 50 50 ALA HA H 1 4.299 0.000 . 1 . . . . . 145 ALA HA . 27615 1 506 . 1 . 1 50 50 ALA HB1 H 1 1.484 0.000 . 1 . . . . . 145 ALA HB1 . 27615 1 507 . 1 . 1 50 50 ALA HB2 H 1 1.484 0.000 . 1 . . . . . 145 ALA HB2 . 27615 1 508 . 1 . 1 50 50 ALA HB3 H 1 1.484 0.000 . 1 . . . . . 145 ALA HB3 . 27615 1 509 . 1 . 1 50 50 ALA C C 13 178.478 0.000 . 1 . . . . . 145 ALA C . 27615 1 510 . 1 . 1 50 50 ALA CA C 13 53.267 0.000 . 1 . . . . . 145 ALA CA . 27615 1 511 . 1 . 1 50 50 ALA CB C 13 18.965 0.000 . 1 . . . . . 145 ALA CB . 27615 1 512 . 1 . 1 50 50 ALA N N 15 123.279 0.000 . 1 . . . . . 145 ALA N . 27615 1 513 . 1 . 1 51 51 GLU H H 1 8.080 0.000 . 1 . . . . . 146 GLU H . 27615 1 514 . 1 . 1 51 51 GLU HA H 1 4.166 0.000 . 1 . . . . . 146 GLU HA . 27615 1 515 . 1 . 1 51 51 GLU HB2 H 1 2.054 0.000 . 1 . . . . . 146 GLU HB2 . 27615 1 516 . 1 . 1 51 51 GLU HB3 H 1 2.054 0.000 . 1 . . . . . 146 GLU HB3 . 27615 1 517 . 1 . 1 51 51 GLU HG2 H 1 2.345 0.000 . 1 . . . . . 146 GLU HG2 . 27615 1 518 . 1 . 1 51 51 GLU HG3 H 1 2.345 0.000 . 1 . . . . . 146 GLU HG3 . 27615 1 519 . 1 . 1 51 51 GLU C C 13 177.113 0.000 . 1 . . . . . 146 GLU C . 27615 1 520 . 1 . 1 51 51 GLU CA C 13 57.210 0.000 . 1 . . . . . 146 GLU CA . 27615 1 521 . 1 . 1 51 51 GLU CB C 13 29.977 0.000 . 1 . . . . . 146 GLU CB . 27615 1 522 . 1 . 1 51 51 GLU CG C 13 36.324 0.000 . 1 . . . . . 146 GLU CG . 27615 1 523 . 1 . 1 51 51 GLU N N 15 119.305 0.000 . 1 . . . . . 146 GLU N . 27615 1 524 . 1 . 1 52 52 LYS H H 1 8.001 0.000 . 1 . . . . . 147 LYS H . 27615 1 525 . 1 . 1 52 52 LYS HA H 1 4.283 0.000 . 1 . . . . . 147 LYS HA . 27615 1 526 . 1 . 1 52 52 LYS HB2 H 1 1.907 0.000 . 1 . . . . . 147 LYS HB2 . 27615 1 527 . 1 . 1 52 52 LYS HB3 H 1 1.907 0.000 . 1 . . . . . 147 LYS HB3 . 27615 1 528 . 1 . 1 52 52 LYS HG2 H 1 1.549 0.000 . 1 . . . . . 147 LYS HG2 . 27615 1 529 . 1 . 1 52 52 LYS HG3 H 1 1.549 0.000 . 1 . . . . . 147 LYS HG3 . 27615 1 530 . 1 . 1 52 52 LYS HD2 H 1 1.745 0.000 . 1 . . . . . 147 LYS HD2 . 27615 1 531 . 1 . 1 52 52 LYS HD3 H 1 1.745 0.000 . 1 . . . . . 147 LYS HD3 . 27615 1 532 . 1 . 1 52 52 LYS HE2 H 1 3.050 0.000 . 1 . . . . . 147 LYS HE2 . 27615 1 533 . 1 . 1 52 52 LYS HE3 H 1 3.050 0.000 . 1 . . . . . 147 LYS HE3 . 27615 1 534 . 1 . 1 52 52 LYS C C 13 176.957 0.000 . 1 . . . . . 147 LYS C . 27615 1 535 . 1 . 1 52 52 LYS CA C 13 56.949 0.000 . 1 . . . . . 147 LYS CA . 27615 1 536 . 1 . 1 52 52 LYS CB C 13 32.915 0.000 . 1 . . . . . 147 LYS CB . 27615 1 537 . 1 . 1 52 52 LYS CG C 13 24.762 0.000 . 1 . . . . . 147 LYS CG . 27615 1 538 . 1 . 1 52 52 LYS CD C 13 29.071 0.000 . 1 . . . . . 147 LYS CD . 27615 1 539 . 1 . 1 52 52 LYS CE C 13 42.137 0.000 . 1 . . . . . 147 LYS CE . 27615 1 540 . 1 . 1 52 52 LYS N N 15 120.909 0.000 . 1 . . . . . 147 LYS N . 27615 1 541 . 1 . 1 53 53 GLU H H 1 8.077 0.000 . 1 . . . . . 148 GLU H . 27615 1 542 . 1 . 1 53 53 GLU HA H 1 4.275 0.000 . 1 . . . . . 148 GLU HA . 27615 1 543 . 1 . 1 53 53 GLU HB2 H 1 2.064 0.000 . 1 . . . . . 148 GLU HB2 . 27615 1 544 . 1 . 1 53 53 GLU HB3 H 1 2.064 0.000 . 1 . . . . . 148 GLU HB3 . 27615 1 545 . 1 . 1 53 53 GLU HG2 H 1 2.374 0.000 . 2 . . . . . 148 GLU HG2 . 27615 1 546 . 1 . 1 53 53 GLU HG3 H 1 2.296 0.000 . 2 . . . . . 148 GLU HG3 . 27615 1 547 . 1 . 1 53 53 GLU C C 13 176.222 0.000 . 1 . . . . . 148 GLU C . 27615 1 548 . 1 . 1 53 53 GLU CA C 13 56.676 0.000 . 1 . . . . . 148 GLU CA . 27615 1 549 . 1 . 1 53 53 GLU CB C 13 30.067 0.000 . 1 . . . . . 148 GLU CB . 27615 1 550 . 1 . 1 53 53 GLU CG C 13 36.374 0.000 . 1 . . . . . 148 GLU CG . 27615 1 551 . 1 . 1 53 53 GLU N N 15 120.385 0.000 . 1 . . . . . 148 GLU N . 27615 1 552 . 1 . 1 54 54 LYS H H 1 7.987 0.000 . 1 . . . . . 149 LYS H . 27615 1 553 . 1 . 1 54 54 LYS HA H 1 4.326 0.000 . 1 . . . . . 149 LYS HA . 27615 1 554 . 1 . 1 54 54 LYS HB2 H 1 1.855 0.000 . 1 . . . . . 149 LYS HB2 . 27615 1 555 . 1 . 1 54 54 LYS HB3 H 1 1.855 0.000 . 1 . . . . . 149 LYS HB3 . 27615 1 556 . 1 . 1 54 54 LYS HG2 H 1 1.489 0.000 . 1 . . . . . 149 LYS HG2 . 27615 1 557 . 1 . 1 54 54 LYS HG3 H 1 1.489 0.000 . 1 . . . . . 149 LYS HG3 . 27615 1 558 . 1 . 1 54 54 LYS HD2 H 1 1.735 0.000 . 1 . . . . . 149 LYS HD2 . 27615 1 559 . 1 . 1 54 54 LYS HD3 H 1 1.735 0.000 . 1 . . . . . 149 LYS HD3 . 27615 1 560 . 1 . 1 54 54 LYS HE2 H 1 3.026 0.000 . 1 . . . . . 149 LYS HE2 . 27615 1 561 . 1 . 1 54 54 LYS HE3 H 1 3.026 0.000 . 1 . . . . . 149 LYS HE3 . 27615 1 562 . 1 . 1 54 54 LYS C C 13 175.972 0.000 . 1 . . . . . 149 LYS C . 27615 1 563 . 1 . 1 54 54 LYS CA C 13 56.423 0.000 . 1 . . . . . 149 LYS CA . 27615 1 564 . 1 . 1 54 54 LYS CB C 13 32.908 0.000 . 1 . . . . . 149 LYS CB . 27615 1 565 . 1 . 1 54 54 LYS CG C 13 24.765 0.000 . 1 . . . . . 149 LYS CG . 27615 1 566 . 1 . 1 54 54 LYS CD C 13 29.133 0.000 . 1 . . . . . 149 LYS CD . 27615 1 567 . 1 . 1 54 54 LYS CE C 13 42.103 0.000 . 1 . . . . . 149 LYS CE . 27615 1 568 . 1 . 1 54 54 LYS N N 15 122.195 0.000 . 1 . . . . . 149 LYS N . 27615 1 569 . 1 . 1 55 55 LYS H H 1 8.163 0.000 . 1 . . . . . 150 LYS H . 27615 1 570 . 1 . 1 55 55 LYS HA H 1 4.397 0.000 . 1 . . . . . 150 LYS HA . 27615 1 571 . 1 . 1 55 55 LYS HB2 H 1 1.914 0.000 . 2 . . . . . 150 LYS HB2 . 27615 1 572 . 1 . 1 55 55 LYS HB3 H 1 1.805 0.000 . 2 . . . . . 150 LYS HB3 . 27615 1 573 . 1 . 1 55 55 LYS HG2 H 1 1.500 0.000 . 1 . . . . . 150 LYS HG2 . 27615 1 574 . 1 . 1 55 55 LYS HG3 H 1 1.500 0.000 . 1 . . . . . 150 LYS HG3 . 27615 1 575 . 1 . 1 55 55 LYS HD2 H 1 1.734 0.000 . 1 . . . . . 150 LYS HD2 . 27615 1 576 . 1 . 1 55 55 LYS HD3 H 1 1.734 0.000 . 1 . . . . . 150 LYS HD3 . 27615 1 577 . 1 . 1 55 55 LYS HE2 H 1 3.059 0.000 . 1 . . . . . 150 LYS HE2 . 27615 1 578 . 1 . 1 55 55 LYS HE3 H 1 3.059 0.000 . 1 . . . . . 150 LYS HE3 . 27615 1 579 . 1 . 1 55 55 LYS C C 13 175.262 0.000 . 1 . . . . . 150 LYS C . 27615 1 580 . 1 . 1 55 55 LYS CA C 13 56.041 0.000 . 1 . . . . . 150 LYS CA . 27615 1 581 . 1 . 1 55 55 LYS CB C 13 32.826 0.000 . 1 . . . . . 150 LYS CB . 27615 1 582 . 1 . 1 55 55 LYS CG C 13 24.763 0.000 . 1 . . . . . 150 LYS CG . 27615 1 583 . 1 . 1 55 55 LYS CD C 13 29.137 0.000 . 1 . . . . . 150 LYS CD . 27615 1 584 . 1 . 1 55 55 LYS CE C 13 42.150 0.000 . 1 . . . . . 150 LYS CE . 27615 1 585 . 1 . 1 55 55 LYS N N 15 123.617 0.000 . 1 . . . . . 150 LYS N . 27615 1 586 . 1 . 1 56 56 LEU H H 1 7.809 0.000 . 1 . . . . . 151 LEU H . 27615 1 587 . 1 . 1 56 56 LEU HA H 1 4.232 0.000 . 1 . . . . . 151 LEU HA . 27615 1 588 . 1 . 1 56 56 LEU HB2 H 1 1.639 0.000 . 1 . . . . . 151 LEU HB2 . 27615 1 589 . 1 . 1 56 56 LEU HB3 H 1 1.639 0.000 . 1 . . . . . 151 LEU HB3 . 27615 1 590 . 1 . 1 56 56 LEU HD11 H 1 0.962 0.000 . 2 . . . . . 151 LEU HD11 . 27615 1 591 . 1 . 1 56 56 LEU HD12 H 1 0.962 0.000 . 2 . . . . . 151 LEU HD12 . 27615 1 592 . 1 . 1 56 56 LEU HD13 H 1 0.962 0.000 . 2 . . . . . 151 LEU HD13 . 27615 1 593 . 1 . 1 56 56 LEU HD21 H 1 0.916 0.000 . 2 . . . . . 151 LEU HD21 . 27615 1 594 . 1 . 1 56 56 LEU HD22 H 1 0.916 0.000 . 2 . . . . . 151 LEU HD22 . 27615 1 595 . 1 . 1 56 56 LEU HD23 H 1 0.916 0.000 . 2 . . . . . 151 LEU HD23 . 27615 1 596 . 1 . 1 56 56 LEU CA C 13 56.675 0.000 . 1 . . . . . 151 LEU CA . 27615 1 597 . 1 . 1 56 56 LEU CB C 13 43.279 0.000 . 1 . . . . . 151 LEU CB . 27615 1 598 . 1 . 1 56 56 LEU CD1 C 13 25.113 0.000 . 2 . . . . . 151 LEU CD1 . 27615 1 599 . 1 . 1 56 56 LEU CD2 C 13 23.507 0.000 . 2 . . . . . 151 LEU CD2 . 27615 1 600 . 1 . 1 56 56 LEU N N 15 129.693 0.000 . 1 . . . . . 151 LEU N . 27615 1 stop_ save_