data_5027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5027 _Entry.Title ; NMR Structure of Human Fibronectin EDA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-22 _Entry.Accession_date 2001-05-22 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Tatsuya Niimi . . . 5027 2 Masanori Osawa . . . 5027 3 Noboru Yamaji . . . 5027 4 Kunio Yasunaga . . . 5027 5 Hitoshi Sakashita . . . 5027 6 Toshiyasu Mase . . . 5027 7 Akihiro Tanaka . . . 5027 8 Shigeo Fujita . . . 5027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 619 5027 '13C chemical shifts' 392 5027 '15N chemical shifts' 94 5027 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 . . 2002-01-23 2001-05-21 original author . 5027 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5027 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21631520 _Citation.DOI . _Citation.PubMed_ID 11775745 _Citation.Full_citation . _Citation.Title 'NMR Structure of Human Fibronectin EDA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 281 _Citation.Page_last 284 _Citation.Year 2001 _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 Tatsuya Niimi . . . 5027 1 2 Masanori Osawa . . . 5027 1 3 Noboru Yamaji . . . 5027 1 4 Kunio Yasunaga . . . 5027 1 5 Hitoshi Sakashita . . . 5027 1 6 Toshiyasu Mase . . . 5027 1 7 Akihiro Tanaka . . . 5027 1 8 Shigeo Fujita . . . 5027 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Fibronectin 5027 1 EDA 5027 1 NMR 5027 1 'tertiary structure' 5027 1 folding 5027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hEDA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hEDA _Assembly.Entry_ID 5027 _Assembly.ID 1 _Assembly.Name 'human fibronectin EDA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5027 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 'human fibronectin EDA' 1 $human_fibronectin_EDA . . . native . . . . . 5027 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1J8K . . . . . . 5027 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human fibronectin EDA' system 5027 1 hEDA abbreviation 5027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_fibronectin_EDA _Entity.Sf_category entity _Entity.Sf_framecode human_fibronectin_EDA _Entity.Entry_ID 5027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human fibronectin EDA' _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 ; NIDRPKGLAFTDVDVDSIKI AWESPQGQVSRYRVTYSSPE DGIHELFPAPDGEEDTAELQ GLRPGSEYTVSVVALHDDME SQPLIGTQSTAIPA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J8K . "Nmr Structure Of The Fibronectin Eda Domain, Nmr, 20 Structures" . . . . . 100.00 94 100.00 100.00 1.10e-60 . . . . 5027 1 2 no EMBL CAB52436 . "fibronectin [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 2.65e-60 . . . . 5027 1 3 no GB AAA67748 . "fibronectin ED-A, partial [Canis lupus familiaris]" . . . . . 94.68 89 100.00 100.00 1.06e-56 . . . . 5027 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human fibronectin EDA' common 5027 1 hEDA abbreviation 5027 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 . ASN . 5027 1 2 . ILE . 5027 1 3 . ASP . 5027 1 4 . ARG . 5027 1 5 . PRO . 5027 1 6 . LYS . 5027 1 7 . GLY . 5027 1 8 . LEU . 5027 1 9 . ALA . 5027 1 10 . PHE . 5027 1 11 . THR . 5027 1 12 . ASP . 5027 1 13 . VAL . 5027 1 14 . ASP . 5027 1 15 . VAL . 5027 1 16 . ASP . 5027 1 17 . SER . 5027 1 18 . ILE . 5027 1 19 . LYS . 5027 1 20 . ILE . 5027 1 21 . ALA . 5027 1 22 . TRP . 5027 1 23 . GLU . 5027 1 24 . SER . 5027 1 25 . PRO . 5027 1 26 . GLN . 5027 1 27 . GLY . 5027 1 28 . GLN . 5027 1 29 . VAL . 5027 1 30 . SER . 5027 1 31 . ARG . 5027 1 32 . TYR . 5027 1 33 . ARG . 5027 1 34 . VAL . 5027 1 35 . THR . 5027 1 36 . TYR . 5027 1 37 . SER . 5027 1 38 . SER . 5027 1 39 . PRO . 5027 1 40 . GLU . 5027 1 41 . ASP . 5027 1 42 . GLY . 5027 1 43 . ILE . 5027 1 44 . HIS . 5027 1 45 . GLU . 5027 1 46 . LEU . 5027 1 47 . PHE . 5027 1 48 . PRO . 5027 1 49 . ALA . 5027 1 50 . PRO . 5027 1 51 . ASP . 5027 1 52 . GLY . 5027 1 53 . GLU . 5027 1 54 . GLU . 5027 1 55 . ASP . 5027 1 56 . THR . 5027 1 57 . ALA . 5027 1 58 . GLU . 5027 1 59 . LEU . 5027 1 60 . GLN . 5027 1 61 . GLY . 5027 1 62 . LEU . 5027 1 63 . ARG . 5027 1 64 . PRO . 5027 1 65 . GLY . 5027 1 66 . SER . 5027 1 67 . GLU . 5027 1 68 . TYR . 5027 1 69 . THR . 5027 1 70 . VAL . 5027 1 71 . SER . 5027 1 72 . VAL . 5027 1 73 . VAL . 5027 1 74 . ALA . 5027 1 75 . LEU . 5027 1 76 . HIS . 5027 1 77 . ASP . 5027 1 78 . ASP . 5027 1 79 . MET . 5027 1 80 . GLU . 5027 1 81 . SER . 5027 1 82 . GLN . 5027 1 83 . PRO . 5027 1 84 . LEU . 5027 1 85 . ILE . 5027 1 86 . GLY . 5027 1 87 . THR . 5027 1 88 . GLN . 5027 1 89 . SER . 5027 1 90 . THR . 5027 1 91 . ALA . 5027 1 92 . ILE . 5027 1 93 . PRO . 5027 1 94 . ALA . 5027 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 . ASN 1 1 5027 1 . ILE 2 2 5027 1 . ASP 3 3 5027 1 . ARG 4 4 5027 1 . PRO 5 5 5027 1 . LYS 6 6 5027 1 . GLY 7 7 5027 1 . LEU 8 8 5027 1 . ALA 9 9 5027 1 . PHE 10 10 5027 1 . THR 11 11 5027 1 . ASP 12 12 5027 1 . VAL 13 13 5027 1 . ASP 14 14 5027 1 . VAL 15 15 5027 1 . ASP 16 16 5027 1 . SER 17 17 5027 1 . ILE 18 18 5027 1 . LYS 19 19 5027 1 . ILE 20 20 5027 1 . ALA 21 21 5027 1 . TRP 22 22 5027 1 . GLU 23 23 5027 1 . SER 24 24 5027 1 . PRO 25 25 5027 1 . GLN 26 26 5027 1 . GLY 27 27 5027 1 . GLN 28 28 5027 1 . VAL 29 29 5027 1 . SER 30 30 5027 1 . ARG 31 31 5027 1 . TYR 32 32 5027 1 . ARG 33 33 5027 1 . VAL 34 34 5027 1 . THR 35 35 5027 1 . TYR 36 36 5027 1 . SER 37 37 5027 1 . SER 38 38 5027 1 . PRO 39 39 5027 1 . GLU 40 40 5027 1 . ASP 41 41 5027 1 . GLY 42 42 5027 1 . ILE 43 43 5027 1 . HIS 44 44 5027 1 . GLU 45 45 5027 1 . LEU 46 46 5027 1 . PHE 47 47 5027 1 . PRO 48 48 5027 1 . ALA 49 49 5027 1 . PRO 50 50 5027 1 . ASP 51 51 5027 1 . GLY 52 52 5027 1 . GLU 53 53 5027 1 . GLU 54 54 5027 1 . ASP 55 55 5027 1 . THR 56 56 5027 1 . ALA 57 57 5027 1 . GLU 58 58 5027 1 . LEU 59 59 5027 1 . GLN 60 60 5027 1 . GLY 61 61 5027 1 . LEU 62 62 5027 1 . ARG 63 63 5027 1 . PRO 64 64 5027 1 . GLY 65 65 5027 1 . SER 66 66 5027 1 . GLU 67 67 5027 1 . TYR 68 68 5027 1 . THR 69 69 5027 1 . VAL 70 70 5027 1 . SER 71 71 5027 1 . VAL 72 72 5027 1 . VAL 73 73 5027 1 . ALA 74 74 5027 1 . LEU 75 75 5027 1 . HIS 76 76 5027 1 . ASP 77 77 5027 1 . ASP 78 78 5027 1 . MET 79 79 5027 1 . GLU 80 80 5027 1 . SER 81 81 5027 1 . GLN 82 82 5027 1 . PRO 83 83 5027 1 . LEU 84 84 5027 1 . ILE 85 85 5027 1 . GLY 86 86 5027 1 . THR 87 87 5027 1 . GLN 88 88 5027 1 . SER 89 89 5027 1 . THR 90 90 5027 1 . ALA 91 91 5027 1 . ILE 92 92 5027 1 . PRO 93 93 5027 1 . ALA 94 94 5027 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 5027 _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 $human_fibronectin_EDA . 9606 . . 'Homo sapien' Human . . Eukaryota Metazoa Homo sapien . . . . . . . . . . . . . . . . . . . . . 5027 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 5027 _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 $human_fibronectin_EDA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET . . . . . . 5027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5027 _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 'human fibronectin EDA' '[U-15N; U-13C]' . . 1 $human_fibronectin_EDA . . 2.0 . . mM . . . . 5027 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5027 1 3 Na2SO4 . . . . . . . 400 . . mM . . . . 5027 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 5027 _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 7.0 0.2 n/a 5027 1 temperature 293 1 K 5027 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 5027 _Software.ID 1 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 5027 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5027 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Peak picking' 5027 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5027 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AMX . 600 . . . 5027 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 5027 _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 '2D 1H-13C CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 3 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 4 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 6 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 7 '3D HCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 8 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 9 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 10 '3D HBHA(CBCACO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 11 '3D H(CCO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 12 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 13 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 14 '3D 13C-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 15 '3D 15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 16 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5027 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-13C CT-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HBHA(CBCACO)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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D H(CCO)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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D C(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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 13C-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D 15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5027 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5027 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5027 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5027 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5027 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5027 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 1 1 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 5027 1 2 . 1 1 1 1 ASN HB2 H 1 2.65 0.01 . 2 . . . . . . . . 5027 1 3 . 1 1 1 1 ASN HB3 H 1 2.80 0.01 . 2 . . . . . . . . 5027 1 4 . 1 1 1 1 ASN HD21 H 1 6.99 0.01 . 2 . . . . . . . . 5027 1 5 . 1 1 1 1 ASN HD22 H 1 7.57 0.01 . 2 . . . . . . . . 5027 1 6 . 1 1 1 1 ASN C C 13 174.41 0.1 . 1 . . . . . . . . 5027 1 7 . 1 1 1 1 ASN CA C 13 53.62 0.1 . 1 . . . . . . . . 5027 1 8 . 1 1 1 1 ASN CB C 13 40.64 0.1 . 1 . . . . . . . . 5027 1 9 . 1 1 1 1 ASN ND2 N 15 113.35 0.2 . 1 . . . . . . . . 5027 1 10 . 1 1 2 2 ILE H H 1 8.00 0.01 . 1 . . . . . . . . 5027 1 11 . 1 1 2 2 ILE HA H 1 4.19 0.01 . 1 . . . . . . . . 5027 1 12 . 1 1 2 2 ILE HB H 1 1.60 0.01 . 1 . . . . . . . . 5027 1 13 . 1 1 2 2 ILE HG12 H 1 1.04 0.01 . 2 . . . . . . . . 5027 1 14 . 1 1 2 2 ILE HG13 H 1 1.32 0.01 . 2 . . . . . . . . 5027 1 15 . 1 1 2 2 ILE HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 16 . 1 1 2 2 ILE HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 17 . 1 1 2 2 ILE HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 18 . 1 1 2 2 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 19 . 1 1 2 2 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 20 . 1 1 2 2 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 21 . 1 1 2 2 ILE C C 13 174.55 0.1 . 1 . . . . . . . . 5027 1 22 . 1 1 2 2 ILE CA C 13 60.58 0.1 . 1 . . . . . . . . 5027 1 23 . 1 1 2 2 ILE CB C 13 39.51 0.1 . 1 . . . . . . . . 5027 1 24 . 1 1 2 2 ILE CG1 C 13 27.49 0.1 . 1 . . . . . . . . 5027 1 25 . 1 1 2 2 ILE CG2 C 13 17.57 0.1 . 1 . . . . . . . . 5027 1 26 . 1 1 2 2 ILE CD1 C 13 14.35 0.1 . 1 . . . . . . . . 5027 1 27 . 1 1 2 2 ILE N N 15 120.3 0.2 . 1 . . . . . . . . 5027 1 28 . 1 1 3 3 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 5027 1 29 . 1 1 3 3 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 5027 1 30 . 1 1 3 3 ASP HB2 H 1 2.57 0.01 . 2 . . . . . . . . 5027 1 31 . 1 1 3 3 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 5027 1 32 . 1 1 3 3 ASP C C 13 173.93 0.1 . 1 . . . . . . . . 5027 1 33 . 1 1 3 3 ASP CA C 13 54.54 0.1 . 1 . . . . . . . . 5027 1 34 . 1 1 3 3 ASP CB C 13 41.61 0.1 . 1 . . . . . . . . 5027 1 35 . 1 1 3 3 ASP N N 15 125.4 0.2 . 1 . . . . . . . . 5027 1 36 . 1 1 4 4 ARG H H 1 7.85 0.01 . 1 . . . . . . . . 5027 1 37 . 1 1 4 4 ARG HA H 1 4.68 0.01 . 1 . . . . . . . . 5027 1 38 . 1 1 4 4 ARG HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5027 1 39 . 1 1 4 4 ARG HB3 H 1 1.80 0.01 . 1 . . . . . . . . 5027 1 40 . 1 1 4 4 ARG HG2 H 1 1.60 0.01 . 2 . . . . . . . . 5027 1 41 . 1 1 4 4 ARG HG3 H 1 1.82 0.01 . 2 . . . . . . . . 5027 1 42 . 1 1 4 4 ARG HD2 H 1 2.98 0.01 . 1 . . . . . . . . 5027 1 43 . 1 1 4 4 ARG HD3 H 1 2.98 0.01 . 1 . . . . . . . . 5027 1 44 . 1 1 4 4 ARG HE H 1 7.22 0.01 . 1 . . . . . . . . 5027 1 45 . 1 1 4 4 ARG C C 13 174.82 0.1 . 1 . . . . . . . . 5027 1 46 . 1 1 4 4 ARG CA C 13 54.24 0.1 . 1 . . . . . . . . 5027 1 47 . 1 1 4 4 ARG CB C 13 31.19 0.1 . 1 . . . . . . . . 5027 1 48 . 1 1 4 4 ARG CG C 13 25.96 0.1 . 1 . . . . . . . . 5027 1 49 . 1 1 4 4 ARG CD C 13 44.58 0.1 . 1 . . . . . . . . 5027 1 50 . 1 1 4 4 ARG N N 15 118.0 0.2 . 1 . . . . . . . . 5027 1 51 . 1 1 4 4 ARG NE N 15 84.46 0.2 . 1 . . . . . . . . 5027 1 52 . 1 1 5 5 PRO HA H 1 4.56 0.01 . 1 . . . . . . . . 5027 1 53 . 1 1 5 5 PRO HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5027 1 54 . 1 1 5 5 PRO HB3 H 1 1.74 0.01 . 2 . . . . . . . . 5027 1 55 . 1 1 5 5 PRO HG2 H 1 2.11 0.01 . 1 . . . . . . . . 5027 1 56 . 1 1 5 5 PRO HG3 H 1 2.11 0.01 . 1 . . . . . . . . 5027 1 57 . 1 1 5 5 PRO HD2 H 1 3.65 0.01 . 2 . . . . . . . . 5027 1 58 . 1 1 5 5 PRO HD3 H 1 3.93 0.01 . 2 . . . . . . . . 5027 1 59 . 1 1 5 5 PRO C C 13 173.61 0.1 . 1 . . . . . . . . 5027 1 60 . 1 1 5 5 PRO CA C 13 63.05 0.1 . 1 . . . . . . . . 5027 1 61 . 1 1 5 5 PRO CB C 13 32.00 0.1 . 1 . . . . . . . . 5027 1 62 . 1 1 5 5 PRO CG C 13 27.99 0.1 . 1 . . . . . . . . 5027 1 63 . 1 1 5 5 PRO CD C 13 50.65 0.1 . 1 . . . . . . . . 5027 1 64 . 1 1 6 6 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 5027 1 65 . 1 1 6 6 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 5027 1 66 . 1 1 6 6 LYS HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5027 1 67 . 1 1 6 6 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5027 1 68 . 1 1 6 6 LYS HG2 H 1 1.33 0.01 . 2 . . . . . . . . 5027 1 69 . 1 1 6 6 LYS HG3 H 1 1.37 0.01 . 2 . . . . . . . . 5027 1 70 . 1 1 6 6 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5027 1 71 . 1 1 6 6 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5027 1 72 . 1 1 6 6 LYS HE2 H 1 2.94 0.01 . 2 . . . . . . . . 5027 1 73 . 1 1 6 6 LYS HE3 H 1 2.96 0.01 . 2 . . . . . . . . 5027 1 74 . 1 1 6 6 LYS C C 13 176.42 0.1 . 1 . . . . . . . . 5027 1 75 . 1 1 6 6 LYS CA C 13 55.35 0.1 . 1 . . . . . . . . 5027 1 76 . 1 1 6 6 LYS CB C 13 37.08 0.1 . 1 . . . . . . . . 5027 1 77 . 1 1 6 6 LYS CG C 13 25.11 0.1 . 1 . . . . . . . . 5027 1 78 . 1 1 6 6 LYS CD C 13 29.58 0.1 . 1 . . . . . . . . 5027 1 79 . 1 1 6 6 LYS CE C 13 42.43 0.1 . 1 . . . . . . . . 5027 1 80 . 1 1 6 6 LYS N N 15 117.2 0.2 . 1 . . . . . . . . 5027 1 81 . 1 1 7 7 GLY H H 1 8.56 0.01 . 1 . . . . . . . . 5027 1 82 . 1 1 7 7 GLY HA2 H 1 3.56 0.01 . 2 . . . . . . . . 5027 1 83 . 1 1 7 7 GLY HA3 H 1 3.74 0.01 . 2 . . . . . . . . 5027 1 84 . 1 1 7 7 GLY C C 13 174.70 0.1 . 1 . . . . . . . . 5027 1 85 . 1 1 7 7 GLY CA C 13 48.82 0.1 . 1 . . . . . . . . 5027 1 86 . 1 1 7 7 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 5027 1 87 . 1 1 8 8 LEU H H 1 7.59 0.01 . 1 . . . . . . . . 5027 1 88 . 1 1 8 8 LEU HA H 1 4.48 0.01 . 1 . . . . . . . . 5027 1 89 . 1 1 8 8 LEU HB2 H 1 1.02 0.01 . 2 . . . . . . . . 5027 1 90 . 1 1 8 8 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 5027 1 91 . 1 1 8 8 LEU HG H 1 0.78 0.01 . 1 . . . . . . . . 5027 1 92 . 1 1 8 8 LEU HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5027 1 93 . 1 1 8 8 LEU HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5027 1 94 . 1 1 8 8 LEU HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5027 1 95 . 1 1 8 8 LEU HD21 H 1 0.50 0.01 . 1 . . . . . . . . 5027 1 96 . 1 1 8 8 LEU HD22 H 1 0.50 0.01 . 1 . . . . . . . . 5027 1 97 . 1 1 8 8 LEU HD23 H 1 0.50 0.01 . 1 . . . . . . . . 5027 1 98 . 1 1 8 8 LEU C C 13 175.91 0.1 . 1 . . . . . . . . 5027 1 99 . 1 1 8 8 LEU CA C 13 56.07 0.1 . 1 . . . . . . . . 5027 1 100 . 1 1 8 8 LEU CB C 13 41.74 0.1 . 1 . . . . . . . . 5027 1 101 . 1 1 8 8 LEU CG C 13 26.75 0.1 . 1 . . . . . . . . 5027 1 102 . 1 1 8 8 LEU CD1 C 13 23.42 0.1 . 1 . . . . . . . . 5027 1 103 . 1 1 8 8 LEU CD2 C 13 27.09 0.1 . 1 . . . . . . . . 5027 1 104 . 1 1 8 8 LEU N N 15 120.3 0.2 . 1 . . . . . . . . 5027 1 105 . 1 1 9 9 ALA H H 1 9.24 0.01 . 1 . . . . . . . . 5027 1 106 . 1 1 9 9 ALA HA H 1 4.51 0.01 . 1 . . . . . . . . 5027 1 107 . 1 1 9 9 ALA HB1 H 1 1.13 0.01 . 1 . . . . . . . . 5027 1 108 . 1 1 9 9 ALA HB2 H 1 1.13 0.01 . 1 . . . . . . . . 5027 1 109 . 1 1 9 9 ALA HB3 H 1 1.13 0.01 . 1 . . . . . . . . 5027 1 110 . 1 1 9 9 ALA C C 13 175.17 0.1 . 1 . . . . . . . . 5027 1 111 . 1 1 9 9 ALA CA C 13 50.58 0.1 . 1 . . . . . . . . 5027 1 112 . 1 1 9 9 ALA CB C 13 22.06 0.1 . 1 . . . . . . . . 5027 1 113 . 1 1 9 9 ALA N N 15 131.2 0.2 . 1 . . . . . . . . 5027 1 114 . 1 1 10 10 PHE H H 1 8.64 0.01 . 1 . . . . . . . . 5027 1 115 . 1 1 10 10 PHE HA H 1 5.03 0.01 . 1 . . . . . . . . 5027 1 116 . 1 1 10 10 PHE HB2 H 1 2.51 0.01 . 2 . . . . . . . . 5027 1 117 . 1 1 10 10 PHE HB3 H 1 2.88 0.01 . 2 . . . . . . . . 5027 1 118 . 1 1 10 10 PHE HD1 H 1 7.13 0.01 . 1 . . . . . . . . 5027 1 119 . 1 1 10 10 PHE HD2 H 1 7.13 0.01 . 1 . . . . . . . . 5027 1 120 . 1 1 10 10 PHE HE1 H 1 7.01 0.01 . 1 . . . . . . . . 5027 1 121 . 1 1 10 10 PHE HE2 H 1 7.01 0.01 . 1 . . . . . . . . 5027 1 122 . 1 1 10 10 PHE HZ H 1 6.71 0.01 . 1 . . . . . . . . 5027 1 123 . 1 1 10 10 PHE C C 13 176.56 0.1 . 1 . . . . . . . . 5027 1 124 . 1 1 10 10 PHE CA C 13 56.95 0.1 . 1 . . . . . . . . 5027 1 125 . 1 1 10 10 PHE CB C 13 39.45 0.1 . 1 . . . . . . . . 5027 1 126 . 1 1 10 10 PHE CD1 C 13 132.71 0.1 . 1 . . . . . . . . 5027 1 127 . 1 1 10 10 PHE CD2 C 13 132.71 0.1 . 1 . . . . . . . . 5027 1 128 . 1 1 10 10 PHE CE1 C 13 130.53 0.1 . 1 . . . . . . . . 5027 1 129 . 1 1 10 10 PHE CE2 C 13 130.53 0.1 . 1 . . . . . . . . 5027 1 130 . 1 1 10 10 PHE CZ C 13 127.91 0.1 . 1 . . . . . . . . 5027 1 131 . 1 1 10 10 PHE N N 15 120.60 0.2 . 1 . . . . . . . . 5027 1 132 . 1 1 11 11 THR H H 1 8.46 0.01 . 1 . . . . . . . . 5027 1 133 . 1 1 11 11 THR HA H 1 4.14 0.01 . 1 . . . . . . . . 5027 1 134 . 1 1 11 11 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 5027 1 135 . 1 1 11 11 THR HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 136 . 1 1 11 11 THR HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 137 . 1 1 11 11 THR HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 138 . 1 1 11 11 THR C C 13 174.40 0.1 . 1 . . . . . . . . 5027 1 139 . 1 1 11 11 THR CA C 13 63.19 0.1 . 1 . . . . . . . . 5027 1 140 . 1 1 11 11 THR CB C 13 69.46 0.1 . 1 . . . . . . . . 5027 1 141 . 1 1 11 11 THR CG2 C 13 21.98 0.1 . 1 . . . . . . . . 5027 1 142 . 1 1 11 11 THR N N 15 115.7 0.2 . 1 . . . . . . . . 5027 1 143 . 1 1 12 12 ASP H H 1 7.56 0.01 . 1 . . . . . . . . 5027 1 144 . 1 1 12 12 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 5027 1 145 . 1 1 12 12 ASP HB2 H 1 2.42 0.01 . 1 . . . . . . . . 5027 1 146 . 1 1 12 12 ASP HB3 H 1 2.42 0.01 . 1 . . . . . . . . 5027 1 147 . 1 1 12 12 ASP C C 13 174.26 0.1 . 1 . . . . . . . . 5027 1 148 . 1 1 12 12 ASP CA C 13 55.02 0.1 . 1 . . . . . . . . 5027 1 149 . 1 1 12 12 ASP CB C 13 43.41 0.1 . 1 . . . . . . . . 5027 1 150 . 1 1 12 12 ASP N N 15 118.3 0.2 . 1 . . . . . . . . 5027 1 151 . 1 1 13 13 VAL H H 1 8.50 0.01 . 1 . . . . . . . . 5027 1 152 . 1 1 13 13 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 5027 1 153 . 1 1 13 13 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 5027 1 154 . 1 1 13 13 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 155 . 1 1 13 13 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 156 . 1 1 13 13 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 157 . 1 1 13 13 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 5027 1 158 . 1 1 13 13 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 5027 1 159 . 1 1 13 13 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 5027 1 160 . 1 1 13 13 VAL C C 13 173.98 0.1 . 1 . . . . . . . . 5027 1 161 . 1 1 13 13 VAL CA C 13 63.35 0.1 . 1 . . . . . . . . 5027 1 162 . 1 1 13 13 VAL CB C 13 34.27 0.1 . 1 . . . . . . . . 5027 1 163 . 1 1 13 13 VAL CG1 C 13 22.29 0.1 . 1 . . . . . . . . 5027 1 164 . 1 1 13 13 VAL CG2 C 13 21.38 0.1 . 1 . . . . . . . . 5027 1 165 . 1 1 13 13 VAL N N 15 123.3 0.2 . 1 . . . . . . . . 5027 1 166 . 1 1 14 14 ASP H H 1 8.74 0.01 . 1 . . . . . . . . 5027 1 167 . 1 1 14 14 ASP HA H 1 4.86 0.01 . 1 . . . . . . . . 5027 1 168 . 1 1 14 14 ASP HB2 H 1 2.51 0.01 . 2 . . . . . . . . 5027 1 169 . 1 1 14 14 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 5027 1 170 . 1 1 14 14 ASP C C 13 176.65 0.1 . 1 . . . . . . . . 5027 1 171 . 1 1 14 14 ASP CA C 13 52.22 0.1 . 1 . . . . . . . . 5027 1 172 . 1 1 14 14 ASP CB C 13 44.74 0.1 . 1 . . . . . . . . 5027 1 173 . 1 1 14 14 ASP N N 15 131.2 0.2 . 1 . . . . . . . . 5027 1 174 . 1 1 15 15 VAL H H 1 9.63 0.01 . 1 . . . . . . . . 5027 1 175 . 1 1 15 15 VAL HA H 1 4.16 0.01 . 1 . . . . . . . . 5027 1 176 . 1 1 15 15 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 5027 1 177 . 1 1 15 15 VAL HG11 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 178 . 1 1 15 15 VAL HG12 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 179 . 1 1 15 15 VAL HG13 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 180 . 1 1 15 15 VAL HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5027 1 181 . 1 1 15 15 VAL HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5027 1 182 . 1 1 15 15 VAL HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5027 1 183 . 1 1 15 15 VAL C C 13 174.79 0.1 . 1 . . . . . . . . 5027 1 184 . 1 1 15 15 VAL CA C 13 63.72 0.1 . 1 . . . . . . . . 5027 1 185 . 1 1 15 15 VAL CB C 13 32.37 0.1 . 1 . . . . . . . . 5027 1 186 . 1 1 15 15 VAL CG1 C 13 22.08 0.1 . 1 . . . . . . . . 5027 1 187 . 1 1 15 15 VAL CG2 C 13 19.69 0.1 . 1 . . . . . . . . 5027 1 188 . 1 1 15 15 VAL N N 15 116.5 0.2 . 1 . . . . . . . . 5027 1 189 . 1 1 16 16 ASP H H 1 7.33 0.01 . 1 . . . . . . . . 5027 1 190 . 1 1 16 16 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5027 1 191 . 1 1 16 16 ASP HB2 H 1 2.32 0.01 . 2 . . . . . . . . 5027 1 192 . 1 1 16 16 ASP HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5027 1 193 . 1 1 16 16 ASP C C 13 176.25 0.1 . 1 . . . . . . . . 5027 1 194 . 1 1 16 16 ASP CA C 13 52.02 0.1 . 1 . . . . . . . . 5027 1 195 . 1 1 16 16 ASP CB C 13 42.28 0.1 . 1 . . . . . . . . 5027 1 196 . 1 1 16 16 ASP N N 15 110.7 0.2 . 1 . . . . . . . . 5027 1 197 . 1 1 17 17 SER H H 1 7.12 0.01 . 1 . . . . . . . . 5027 1 198 . 1 1 17 17 SER HA H 1 4.97 0.01 . 1 . . . . . . . . 5027 1 199 . 1 1 17 17 SER HB2 H 1 3.72 0.01 . 1 . . . . . . . . 5027 1 200 . 1 1 17 17 SER HB3 H 1 3.72 0.01 . 1 . . . . . . . . 5027 1 201 . 1 1 17 17 SER C C 13 172.06 0.1 . 1 . . . . . . . . 5027 1 202 . 1 1 17 17 SER CA C 13 57.49 0.1 . 1 . . . . . . . . 5027 1 203 . 1 1 17 17 SER CB C 13 65.92 0.1 . 1 . . . . . . . . 5027 1 204 . 1 1 17 17 SER N N 15 111.6 0.2 . 1 . . . . . . . . 5027 1 205 . 1 1 18 18 ILE H H 1 8.12 0.01 . 1 . . . . . . . . 5027 1 206 . 1 1 18 18 ILE HA H 1 4.46 0.01 . 1 . . . . . . . . 5027 1 207 . 1 1 18 18 ILE HB H 1 1.20 0.01 . 1 . . . . . . . . 5027 1 208 . 1 1 18 18 ILE HG12 H 1 0.83 0.01 . 2 . . . . . . . . 5027 1 209 . 1 1 18 18 ILE HG13 H 1 1.40 0.01 . 2 . . . . . . . . 5027 1 210 . 1 1 18 18 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 211 . 1 1 18 18 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 212 . 1 1 18 18 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5027 1 213 . 1 1 18 18 ILE HD11 H 1 0.43 0.01 . 1 . . . . . . . . 5027 1 214 . 1 1 18 18 ILE HD12 H 1 0.43 0.01 . 1 . . . . . . . . 5027 1 215 . 1 1 18 18 ILE HD13 H 1 0.43 0.01 . 1 . . . . . . . . 5027 1 216 . 1 1 18 18 ILE C C 13 173.92 0.1 . 1 . . . . . . . . 5027 1 217 . 1 1 18 18 ILE CA C 13 61.33 0.1 . 1 . . . . . . . . 5027 1 218 . 1 1 18 18 ILE CB C 13 45.45 0.1 . 1 . . . . . . . . 5027 1 219 . 1 1 18 18 ILE CG1 C 13 29.10 0.1 . 1 . . . . . . . . 5027 1 220 . 1 1 18 18 ILE CG2 C 13 19.30 0.1 . 1 . . . . . . . . 5027 1 221 . 1 1 18 18 ILE CD1 C 13 13.74 0.1 . 1 . . . . . . . . 5027 1 222 . 1 1 18 18 ILE N N 15 119.3 0.2 . 1 . . . . . . . . 5027 1 223 . 1 1 19 19 LYS H H 1 8.72 0.01 . 1 . . . . . . . . 5027 1 224 . 1 1 19 19 LYS HA H 1 5.08 0.01 . 1 . . . . . . . . 5027 1 225 . 1 1 19 19 LYS HB2 H 1 1.66 0.01 . 2 . . . . . . . . 5027 1 226 . 1 1 19 19 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5027 1 227 . 1 1 19 19 LYS HG2 H 1 1.11 0.01 . 1 . . . . . . . . 5027 1 228 . 1 1 19 19 LYS HG3 H 1 1.11 0.01 . 1 . . . . . . . . 5027 1 229 . 1 1 19 19 LYS HD2 H 1 1.44 0.01 . 2 . . . . . . . . 5027 1 230 . 1 1 19 19 LYS HD3 H 1 1.53 0.01 . 2 . . . . . . . . 5027 1 231 . 1 1 19 19 LYS HE2 H 1 2.72 0.01 . 1 . . . . . . . . 5027 1 232 . 1 1 19 19 LYS HE3 H 1 2.72 0.01 . 1 . . . . . . . . 5027 1 233 . 1 1 19 19 LYS C C 13 175.56 0.1 . 1 . . . . . . . . 5027 1 234 . 1 1 19 19 LYS CA C 13 56.10 0.1 . 1 . . . . . . . . 5027 1 235 . 1 1 19 19 LYS CB C 13 34.76 0.1 . 1 . . . . . . . . 5027 1 236 . 1 1 19 19 LYS CG C 13 26.26 0.1 . 1 . . . . . . . . 5027 1 237 . 1 1 19 19 LYS CD C 13 29.86 0.1 . 1 . . . . . . . . 5027 1 238 . 1 1 19 19 LYS CE C 13 42.41 0.1 . 1 . . . . . . . . 5027 1 239 . 1 1 19 19 LYS N N 15 126.3 0.2 . 1 . . . . . . . . 5027 1 240 . 1 1 20 20 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 5027 1 241 . 1 1 20 20 ILE HA H 1 5.53 0.01 . 1 . . . . . . . . 5027 1 242 . 1 1 20 20 ILE HB H 1 1.67 0.01 . 1 . . . . . . . . 5027 1 243 . 1 1 20 20 ILE HG12 H 1 0.91 0.01 . 2 . . . . . . . . 5027 1 244 . 1 1 20 20 ILE HG13 H 1 1.47 0.01 . 2 . . . . . . . . 5027 1 245 . 1 1 20 20 ILE HG21 H 1 0.69 0.01 . 1 . . . . . . . . 5027 1 246 . 1 1 20 20 ILE HG22 H 1 0.69 0.01 . 1 . . . . . . . . 5027 1 247 . 1 1 20 20 ILE HG23 H 1 0.69 0.01 . 1 . . . . . . . . 5027 1 248 . 1 1 20 20 ILE HD11 H 1 0.58 0.01 . 1 . . . . . . . . 5027 1 249 . 1 1 20 20 ILE HD12 H 1 0.58 0.01 . 1 . . . . . . . . 5027 1 250 . 1 1 20 20 ILE HD13 H 1 0.58 0.01 . 1 . . . . . . . . 5027 1 251 . 1 1 20 20 ILE C C 13 175.33 0.1 . 1 . . . . . . . . 5027 1 252 . 1 1 20 20 ILE CA C 13 58.78 0.1 . 1 . . . . . . . . 5027 1 253 . 1 1 20 20 ILE CB C 13 42.59 0.1 . 1 . . . . . . . . 5027 1 254 . 1 1 20 20 ILE CG1 C 13 26.28 0.1 . 1 . . . . . . . . 5027 1 255 . 1 1 20 20 ILE CG2 C 13 19.68 0.1 . 1 . . . . . . . . 5027 1 256 . 1 1 20 20 ILE CD1 C 13 14.60 0.1 . 1 . . . . . . . . 5027 1 257 . 1 1 20 20 ILE N N 15 114.7 0.2 . 1 . . . . . . . . 5027 1 258 . 1 1 21 21 ALA H H 1 8.79 0.01 . 1 . . . . . . . . 5027 1 259 . 1 1 21 21 ALA HA H 1 4.84 0.01 . 1 . . . . . . . . 5027 1 260 . 1 1 21 21 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 5027 1 261 . 1 1 21 21 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 5027 1 262 . 1 1 21 21 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 5027 1 263 . 1 1 21 21 ALA C C 13 174.78 0.1 . 1 . . . . . . . . 5027 1 264 . 1 1 21 21 ALA CA C 13 51.25 0.1 . 1 . . . . . . . . 5027 1 265 . 1 1 21 21 ALA CB C 13 23.90 0.1 . 1 . . . . . . . . 5027 1 266 . 1 1 21 21 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 5027 1 267 . 1 1 22 22 TRP H H 1 7.68 0.01 . 1 . . . . . . . . 5027 1 268 . 1 1 22 22 TRP HA H 1 4.97 0.01 . 1 . . . . . . . . 5027 1 269 . 1 1 22 22 TRP HB2 H 1 2.83 0.01 . 1 . . . . . . . . 5027 1 270 . 1 1 22 22 TRP HB3 H 1 2.83 0.01 . 1 . . . . . . . . 5027 1 271 . 1 1 22 22 TRP HD1 H 1 6.64 0.01 . 1 . . . . . . . . 5027 1 272 . 1 1 22 22 TRP HE1 H 1 8.22 0.01 . 1 . . . . . . . . 5027 1 273 . 1 1 22 22 TRP HE3 H 1 6.52 0.01 . 1 . . . . . . . . 5027 1 274 . 1 1 22 22 TRP HZ2 H 1 5.66 0.01 . 1 . . . . . . . . 5027 1 275 . 1 1 22 22 TRP HZ3 H 1 6.22 0.01 . 1 . . . . . . . . 5027 1 276 . 1 1 22 22 TRP HH2 H 1 6.08 0.01 . 1 . . . . . . . . 5027 1 277 . 1 1 22 22 TRP C C 13 173.39 0.1 . 1 . . . . . . . . 5027 1 278 . 1 1 22 22 TRP CA C 13 57.13 0.1 . 1 . . . . . . . . 5027 1 279 . 1 1 22 22 TRP CB C 13 30.72 0.1 . 1 . . . . . . . . 5027 1 280 . 1 1 22 22 TRP CD1 C 13 124.76 0.1 . 1 . . . . . . . . 5027 1 281 . 1 1 22 22 TRP CE3 C 13 118.82 0.1 . 1 . . . . . . . . 5027 1 282 . 1 1 22 22 TRP CZ2 C 13 113.26 0.1 . 1 . . . . . . . . 5027 1 283 . 1 1 22 22 TRP CZ3 C 13 119.31 0.1 . 1 . . . . . . . . 5027 1 284 . 1 1 22 22 TRP CH2 C 13 122.41 0.1 . 1 . . . . . . . . 5027 1 285 . 1 1 22 22 TRP N N 15 115.8 0.2 . 1 . . . . . . . . 5027 1 286 . 1 1 22 22 TRP NE1 N 15 125.1 0.2 . 1 . . . . . . . . 5027 1 287 . 1 1 23 23 GLU H H 1 9.10 0.01 . 1 . . . . . . . . 5027 1 288 . 1 1 23 23 GLU HA H 1 4.53 0.01 . 1 . . . . . . . . 5027 1 289 . 1 1 23 23 GLU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5027 1 290 . 1 1 23 23 GLU HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5027 1 291 . 1 1 23 23 GLU HG2 H 1 2.16 0.01 . 2 . . . . . . . . 5027 1 292 . 1 1 23 23 GLU HG3 H 1 2.20 0.01 . 2 . . . . . . . . 5027 1 293 . 1 1 23 23 GLU C C 13 176.84 0.1 . 1 . . . . . . . . 5027 1 294 . 1 1 23 23 GLU CA C 13 54.84 0.1 . 1 . . . . . . . . 5027 1 295 . 1 1 23 23 GLU CB C 13 30.76 0.1 . 1 . . . . . . . . 5027 1 296 . 1 1 23 23 GLU CG C 13 36.23 0.1 . 1 . . . . . . . . 5027 1 297 . 1 1 23 23 GLU N N 15 117.9 0.2 . 1 . . . . . . . . 5027 1 298 . 1 1 24 24 SER H H 1 8.78 0.01 . 1 . . . . . . . . 5027 1 299 . 1 1 24 24 SER HA H 1 4.64 0.01 . 1 . . . . . . . . 5027 1 300 . 1 1 24 24 SER HB2 H 1 3.89 0.01 . 2 . . . . . . . . 5027 1 301 . 1 1 24 24 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 5027 1 302 . 1 1 24 24 SER C C 13 173.17 0.1 . 1 . . . . . . . . 5027 1 303 . 1 1 24 24 SER CA C 13 57.97 0.1 . 1 . . . . . . . . 5027 1 304 . 1 1 24 24 SER CB C 13 63.28 0.1 . 1 . . . . . . . . 5027 1 305 . 1 1 24 24 SER N N 15 121.2 0.2 . 1 . . . . . . . . 5027 1 306 . 1 1 25 25 PRO HA H 1 4.40 0.01 . 1 . . . . . . . . 5027 1 307 . 1 1 25 25 PRO HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5027 1 308 . 1 1 25 25 PRO HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5027 1 309 . 1 1 25 25 PRO C C 13 176.04 0.1 . 1 . . . . . . . . 5027 1 310 . 1 1 25 25 PRO CA C 13 62.83 0.1 . 1 . . . . . . . . 5027 1 311 . 1 1 25 25 PRO CB C 13 32.90 0.1 . 1 . . . . . . . . 5027 1 312 . 1 1 25 25 PRO CG C 13 27.67 0.1 . 1 . . . . . . . . 5027 1 313 . 1 1 25 25 PRO CD C 13 51.44 0.1 . 1 . . . . . . . . 5027 1 314 . 1 1 26 26 GLN H H 1 9.39 0.01 . 1 . . . . . . . . 5027 1 315 . 1 1 26 26 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 5027 1 316 . 1 1 26 26 GLN HB2 H 1 1.93 0.01 . 2 . . . . . . . . 5027 1 317 . 1 1 26 26 GLN HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5027 1 318 . 1 1 26 26 GLN HG2 H 1 2.33 0.01 . 1 . . . . . . . . 5027 1 319 . 1 1 26 26 GLN HG3 H 1 2.33 0.01 . 1 . . . . . . . . 5027 1 320 . 1 1 26 26 GLN HE21 H 1 6.79 0.01 . 2 . . . . . . . . 5027 1 321 . 1 1 26 26 GLN HE22 H 1 7.56 0.01 . 2 . . . . . . . . 5027 1 322 . 1 1 26 26 GLN C C 13 177.30 0.1 . 1 . . . . . . . . 5027 1 323 . 1 1 26 26 GLN CA C 13 57.13 0.1 . 1 . . . . . . . . 5027 1 324 . 1 1 26 26 GLN CB C 13 29.42 0.1 . 1 . . . . . . . . 5027 1 325 . 1 1 26 26 GLN CG C 13 34.45 0.1 . 1 . . . . . . . . 5027 1 326 . 1 1 26 26 GLN N N 15 120.5 0.2 . 1 . . . . . . . . 5027 1 327 . 1 1 26 26 GLN NE2 N 15 113.1 0.2 . 1 . . . . . . . . 5027 1 328 . 1 1 27 27 GLY H H 1 8.25 0.01 . 1 . . . . . . . . 5027 1 329 . 1 1 27 27 GLY HA2 H 1 3.77 0.01 . 2 . . . . . . . . 5027 1 330 . 1 1 27 27 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 5027 1 331 . 1 1 27 27 GLY C C 13 172.38 0.1 . 1 . . . . . . . . 5027 1 332 . 1 1 27 27 GLY CA C 13 44.45 0.1 . 1 . . . . . . . . 5027 1 333 . 1 1 27 27 GLY N N 15 108.0 0.2 . 1 . . . . . . . . 5027 1 334 . 1 1 28 28 GLN H H 1 7.88 0.01 . 1 . . . . . . . . 5027 1 335 . 1 1 28 28 GLN HA H 1 3.97 0.01 . 1 . . . . . . . . 5027 1 336 . 1 1 28 28 GLN HB2 H 1 1.35 0.01 . 2 . . . . . . . . 5027 1 337 . 1 1 28 28 GLN HB3 H 1 1.45 0.01 . 2 . . . . . . . . 5027 1 338 . 1 1 28 28 GLN HG2 H 1 1.92 0.01 . 2 . . . . . . . . 5027 1 339 . 1 1 28 28 GLN HG3 H 1 2.03 0.01 . 2 . . . . . . . . 5027 1 340 . 1 1 28 28 GLN HE21 H 1 6.78 0.01 . 2 . . . . . . . . 5027 1 341 . 1 1 28 28 GLN HE22 H 1 7.39 0.01 . 2 . . . . . . . . 5027 1 342 . 1 1 28 28 GLN C C 13 174.82 0.1 . 1 . . . . . . . . 5027 1 343 . 1 1 28 28 GLN CA C 13 56.66 0.1 . 1 . . . . . . . . 5027 1 344 . 1 1 28 28 GLN CB C 13 29.42 0.1 . 1 . . . . . . . . 5027 1 345 . 1 1 28 28 GLN CG C 13 34.13 0.1 . 1 . . . . . . . . 5027 1 346 . 1 1 28 28 GLN N N 15 118.9 0.2 . 1 . . . . . . . . 5027 1 347 . 1 1 28 28 GLN NE2 N 15 112.2 0.2 . 1 . . . . . . . . 5027 1 348 . 1 1 29 29 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 5027 1 349 . 1 1 29 29 VAL HA H 1 3.87 0.01 . 1 . . . . . . . . 5027 1 350 . 1 1 29 29 VAL HB H 1 1.85 0.01 . 1 . . . . . . . . 5027 1 351 . 1 1 29 29 VAL HG11 H 1 0.38 0.01 . 1 . . . . . . . . 5027 1 352 . 1 1 29 29 VAL HG12 H 1 0.38 0.01 . 1 . . . . . . . . 5027 1 353 . 1 1 29 29 VAL HG13 H 1 0.38 0.01 . 1 . . . . . . . . 5027 1 354 . 1 1 29 29 VAL HG21 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 355 . 1 1 29 29 VAL HG22 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 356 . 1 1 29 29 VAL HG23 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 357 . 1 1 29 29 VAL C C 13 175.85 0.1 . 1 . . . . . . . . 5027 1 358 . 1 1 29 29 VAL CA C 13 62.02 0.1 . 1 . . . . . . . . 5027 1 359 . 1 1 29 29 VAL CB C 13 34.90 0.1 . 1 . . . . . . . . 5027 1 360 . 1 1 29 29 VAL CG1 C 13 21.97 0.1 . 1 . . . . . . . . 5027 1 361 . 1 1 29 29 VAL CG2 C 13 22.04 0.1 . 1 . . . . . . . . 5027 1 362 . 1 1 29 29 VAL N N 15 121.7 0.2 . 1 . . . . . . . . 5027 1 363 . 1 1 30 30 SER H H 1 9.24 0.01 . 1 . . . . . . . . 5027 1 364 . 1 1 30 30 SER HA H 1 4.57 0.01 . 1 . . . . . . . . 5027 1 365 . 1 1 30 30 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 5027 1 366 . 1 1 30 30 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 5027 1 367 . 1 1 30 30 SER C C 13 174.24 0.1 . 1 . . . . . . . . 5027 1 368 . 1 1 30 30 SER CA C 13 61.35 0.1 . 1 . . . . . . . . 5027 1 369 . 1 1 30 30 SER CB C 13 64.20 0.1 . 1 . . . . . . . . 5027 1 370 . 1 1 30 30 SER N N 15 121.5 0.2 . 1 . . . . . . . . 5027 1 371 . 1 1 31 31 ARG H H 1 7.81 0.01 . 1 . . . . . . . . 5027 1 372 . 1 1 31 31 ARG HA H 1 4.50 0.01 . 1 . . . . . . . . 5027 1 373 . 1 1 31 31 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5027 1 374 . 1 1 31 31 ARG HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5027 1 375 . 1 1 31 31 ARG HG2 H 1 1.33 0.01 . 2 . . . . . . . . 5027 1 376 . 1 1 31 31 ARG HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5027 1 377 . 1 1 31 31 ARG HD2 H 1 3.08 0.01 . 1 . . . . . . . . 5027 1 378 . 1 1 31 31 ARG HD3 H 1 3.08 0.01 . 1 . . . . . . . . 5027 1 379 . 1 1 31 31 ARG HE H 1 7.14 0.01 . 1 . . . . . . . . 5027 1 380 . 1 1 31 31 ARG C C 13 171.77 0.1 . 1 . . . . . . . . 5027 1 381 . 1 1 31 31 ARG CA C 13 55.39 0.1 . 1 . . . . . . . . 5027 1 382 . 1 1 31 31 ARG CB C 13 32.60 0.1 . 1 . . . . . . . . 5027 1 383 . 1 1 31 31 ARG CG C 13 26.37 0.1 . 1 . . . . . . . . 5027 1 384 . 1 1 31 31 ARG CD C 13 43.84 0.1 . 1 . . . . . . . . 5027 1 385 . 1 1 31 31 ARG N N 15 118.0 0.2 . 1 . . . . . . . . 5027 1 386 . 1 1 31 31 ARG NE N 15 84.3 0.2 . 1 . . . . . . . . 5027 1 387 . 1 1 32 32 TYR H H 1 8.28 0.01 . 1 . . . . . . . . 5027 1 388 . 1 1 32 32 TYR HA H 1 5.26 0.01 . 1 . . . . . . . . 5027 1 389 . 1 1 32 32 TYR HB2 H 1 2.38 0.01 . 1 . . . . . . . . 5027 1 390 . 1 1 32 32 TYR HB3 H 1 2.38 0.01 . 1 . . . . . . . . 5027 1 391 . 1 1 32 32 TYR HD1 H 1 6.60 0.01 . 1 . . . . . . . . 5027 1 392 . 1 1 32 32 TYR HD2 H 1 6.60 0.01 . 1 . . . . . . . . 5027 1 393 . 1 1 32 32 TYR HE1 H 1 6.32 0.01 . 1 . . . . . . . . 5027 1 394 . 1 1 32 32 TYR HE2 H 1 6.32 0.01 . 1 . . . . . . . . 5027 1 395 . 1 1 32 32 TYR C C 13 175.20 0.1 . 1 . . . . . . . . 5027 1 396 . 1 1 32 32 TYR CA C 13 57.13 0.1 . 1 . . . . . . . . 5027 1 397 . 1 1 32 32 TYR CB C 13 42.05 0.1 . 1 . . . . . . . . 5027 1 398 . 1 1 32 32 TYR N N 15 115.1 0.2 . 1 . . . . . . . . 5027 1 399 . 1 1 33 33 ARG H H 1 9.14 0.01 . 1 . . . . . . . . 5027 1 400 . 1 1 33 33 ARG HA H 1 4.58 0.01 . 1 . . . . . . . . 5027 1 401 . 1 1 33 33 ARG HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5027 1 402 . 1 1 33 33 ARG HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5027 1 403 . 1 1 33 33 ARG HG2 H 1 1.13 0.01 . 2 . . . . . . . . 5027 1 404 . 1 1 33 33 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 5027 1 405 . 1 1 33 33 ARG HD2 H 1 3.07 0.01 . 1 . . . . . . . . 5027 1 406 . 1 1 33 33 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 5027 1 407 . 1 1 33 33 ARG HE H 1 6.98 0.01 . 1 . . . . . . . . 5027 1 408 . 1 1 33 33 ARG C C 13 175.58 0.1 . 1 . . . . . . . . 5027 1 409 . 1 1 33 33 ARG CA C 13 55.71 0.1 . 1 . . . . . . . . 5027 1 410 . 1 1 33 33 ARG CB C 13 32.97 0.1 . 1 . . . . . . . . 5027 1 411 . 1 1 33 33 ARG CG C 13 28.08 0.1 . 1 . . . . . . . . 5027 1 412 . 1 1 33 33 ARG CD C 13 43.92 0.1 . 1 . . . . . . . . 5027 1 413 . 1 1 33 33 ARG N N 15 120.5 0.2 . 1 . . . . . . . . 5027 1 414 . 1 1 33 33 ARG NE N 15 83.2 0.2 . 1 . . . . . . . . 5027 1 415 . 1 1 34 34 VAL H H 1 9.54 0.01 . 1 . . . . . . . . 5027 1 416 . 1 1 34 34 VAL HA H 1 5.17 0.01 . 1 . . . . . . . . 5027 1 417 . 1 1 34 34 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 5027 1 418 . 1 1 34 34 VAL HG11 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 419 . 1 1 34 34 VAL HG12 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 420 . 1 1 34 34 VAL HG13 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 421 . 1 1 34 34 VAL HG21 H 1 0.56 0.01 . 1 . . . . . . . . 5027 1 422 . 1 1 34 34 VAL HG22 H 1 0.56 0.01 . 1 . . . . . . . . 5027 1 423 . 1 1 34 34 VAL HG23 H 1 0.56 0.01 . 1 . . . . . . . . 5027 1 424 . 1 1 34 34 VAL C C 13 175.03 0.1 . 1 . . . . . . . . 5027 1 425 . 1 1 34 34 VAL CA C 13 60.91 0.1 . 1 . . . . . . . . 5027 1 426 . 1 1 34 34 VAL CB C 13 33.32 0.1 . 1 . . . . . . . . 5027 1 427 . 1 1 34 34 VAL CG1 C 13 21.10 0.1 . 1 . . . . . . . . 5027 1 428 . 1 1 34 34 VAL CG2 C 13 21.32 0.1 . 1 . . . . . . . . 5027 1 429 . 1 1 34 34 VAL N N 15 131.3 0.2 . 1 . . . . . . . . 5027 1 430 . 1 1 35 35 THR H H 1 9.03 0.01 . 1 . . . . . . . . 5027 1 431 . 1 1 35 35 THR HA H 1 5.41 0.01 . 1 . . . . . . . . 5027 1 432 . 1 1 35 35 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5027 1 433 . 1 1 35 35 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 5027 1 434 . 1 1 35 35 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 5027 1 435 . 1 1 35 35 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 5027 1 436 . 1 1 35 35 THR C C 13 173.49 0.1 . 1 . . . . . . . . 5027 1 437 . 1 1 35 35 THR CA C 13 60.06 0.1 . 1 . . . . . . . . 5027 1 438 . 1 1 35 35 THR CB C 13 71.69 0.1 . 1 . . . . . . . . 5027 1 439 . 1 1 35 35 THR CG2 C 13 21.54 0.1 . 1 . . . . . . . . 5027 1 440 . 1 1 35 35 THR N N 15 119.9 0.2 . 1 . . . . . . . . 5027 1 441 . 1 1 36 36 TYR H H 1 8.92 0.01 . 1 . . . . . . . . 5027 1 442 . 1 1 36 36 TYR HA H 1 6.01 0.01 . 1 . . . . . . . . 5027 1 443 . 1 1 36 36 TYR HB2 H 1 2.70 0.01 . 2 . . . . . . . . 5027 1 444 . 1 1 36 36 TYR HB3 H 1 2.98 0.01 . 2 . . . . . . . . 5027 1 445 . 1 1 36 36 TYR HD1 H 1 6.71 0.01 . 1 . . . . . . . . 5027 1 446 . 1 1 36 36 TYR HD2 H 1 6.71 0.01 . 1 . . . . . . . . 5027 1 447 . 1 1 36 36 TYR HE1 H 1 6.34 0.01 . 1 . . . . . . . . 5027 1 448 . 1 1 36 36 TYR HE2 H 1 6.34 0.01 . 1 . . . . . . . . 5027 1 449 . 1 1 36 36 TYR C C 13 174.03 0.1 . 1 . . . . . . . . 5027 1 450 . 1 1 36 36 TYR CA C 13 55.09 0.1 . 1 . . . . . . . . 5027 1 451 . 1 1 36 36 TYR CB C 13 41.04 0.1 . 1 . . . . . . . . 5027 1 452 . 1 1 36 36 TYR CD1 C 13 133.98 0.1 . 1 . . . . . . . . 5027 1 453 . 1 1 36 36 TYR CD2 C 13 133.98 0.1 . 1 . . . . . . . . 5027 1 454 . 1 1 36 36 TYR CE1 C 13 117.54 0.1 . 1 . . . . . . . . 5027 1 455 . 1 1 36 36 TYR CE2 C 13 117.54 0.1 . 1 . . . . . . . . 5027 1 456 . 1 1 36 36 TYR N N 15 118.1 0.2 . 1 . . . . . . . . 5027 1 457 . 1 1 37 37 SER H H 1 8.92 0.01 . 1 . . . . . . . . 5027 1 458 . 1 1 37 37 SER HA H 1 5.74 0.01 . 1 . . . . . . . . 5027 1 459 . 1 1 37 37 SER HB2 H 1 3.62 0.01 . 2 . . . . . . . . 5027 1 460 . 1 1 37 37 SER HB3 H 1 3.67 0.01 . 2 . . . . . . . . 5027 1 461 . 1 1 37 37 SER C C 13 172.72 0.1 . 1 . . . . . . . . 5027 1 462 . 1 1 37 37 SER CA C 13 56.33 0.1 . 1 . . . . . . . . 5027 1 463 . 1 1 37 37 SER CB C 13 67.90 0.1 . 1 . . . . . . . . 5027 1 464 . 1 1 37 37 SER N N 15 115.3 0.2 . 1 . . . . . . . . 5027 1 465 . 1 1 38 38 SER H H 1 8.19 0.01 . 1 . . . . . . . . 5027 1 466 . 1 1 38 38 SER HA H 1 5.01 0.01 . 1 . . . . . . . . 5027 1 467 . 1 1 38 38 SER HB2 H 1 3.37 0.01 . 2 . . . . . . . . 5027 1 468 . 1 1 38 38 SER HB3 H 1 3.38 0.01 . 2 . . . . . . . . 5027 1 469 . 1 1 38 38 SER C C 13 174.39 0.1 . 1 . . . . . . . . 5027 1 470 . 1 1 38 38 SER CA C 13 56.53 0.1 . 1 . . . . . . . . 5027 1 471 . 1 1 38 38 SER CB C 13 66.19 0.1 . 1 . . . . . . . . 5027 1 472 . 1 1 38 38 SER N N 15 116.8 0.2 . 1 . . . . . . . . 5027 1 473 . 1 1 39 39 PRO HA H 1 4.19 0.01 . 1 . . . . . . . . 5027 1 474 . 1 1 39 39 PRO HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5027 1 475 . 1 1 39 39 PRO HB3 H 1 2.33 0.01 . 2 . . . . . . . . 5027 1 476 . 1 1 39 39 PRO HG2 H 1 2.45 0.01 . 1 . . . . . . . . 5027 1 477 . 1 1 39 39 PRO HG3 H 1 2.45 0.01 . 1 . . . . . . . . 5027 1 478 . 1 1 39 39 PRO HD2 H 1 3.42 0.01 . 1 . . . . . . . . 5027 1 479 . 1 1 39 39 PRO HD3 H 1 3.42 0.01 . 1 . . . . . . . . 5027 1 480 . 1 1 39 39 PRO C C 13 178.41 0.1 . 1 . . . . . . . . 5027 1 481 . 1 1 39 39 PRO CA C 13 65.84 0.1 . 1 . . . . . . . . 5027 1 482 . 1 1 39 39 PRO CB C 13 32.30 0.1 . 1 . . . . . . . . 5027 1 483 . 1 1 39 39 PRO CG C 13 27.96 0.1 . 1 . . . . . . . . 5027 1 484 . 1 1 40 40 GLU H H 1 8.03 0.01 . 1 . . . . . . . . 5027 1 485 . 1 1 40 40 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 5027 1 486 . 1 1 40 40 GLU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5027 1 487 . 1 1 40 40 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5027 1 488 . 1 1 40 40 GLU HG2 H 1 2.10 0.01 . 2 . . . . . . . . 5027 1 489 . 1 1 40 40 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5027 1 490 . 1 1 40 40 GLU C C 13 176.82 0.1 . 1 . . . . . . . . 5027 1 491 . 1 1 40 40 GLU CA C 13 58.72 0.1 . 1 . . . . . . . . 5027 1 492 . 1 1 40 40 GLU CB C 13 30.05 0.1 . 1 . . . . . . . . 5027 1 493 . 1 1 40 40 GLU CG C 13 37.51 0.1 . 1 . . . . . . . . 5027 1 494 . 1 1 40 40 GLU N N 15 113.3 0.2 . 1 . . . . . . . . 5027 1 495 . 1 1 41 41 ASP H H 1 7.61 0.01 . 1 . . . . . . . . 5027 1 496 . 1 1 41 41 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 5027 1 497 . 1 1 41 41 ASP HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5027 1 498 . 1 1 41 41 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 5027 1 499 . 1 1 41 41 ASP C C 13 176.67 0.1 . 1 . . . . . . . . 5027 1 500 . 1 1 41 41 ASP CA C 13 53.76 0.1 . 1 . . . . . . . . 5027 1 501 . 1 1 41 41 ASP CB C 13 43.91 0.1 . 1 . . . . . . . . 5027 1 502 . 1 1 41 41 ASP N N 15 116.8 0.2 . 1 . . . . . . . . 5027 1 503 . 1 1 42 42 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 5027 1 504 . 1 1 42 42 GLY HA2 H 1 3.79 0.01 . 2 . . . . . . . . 5027 1 505 . 1 1 42 42 GLY HA3 H 1 3.98 0.01 . 2 . . . . . . . . 5027 1 506 . 1 1 42 42 GLY C C 13 172.46 0.1 . 1 . . . . . . . . 5027 1 507 . 1 1 42 42 GLY CA C 13 45.46 0.1 . 1 . . . . . . . . 5027 1 508 . 1 1 42 42 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 5027 1 509 . 1 1 43 43 ILE H H 1 7.94 0.01 . 1 . . . . . . . . 5027 1 510 . 1 1 43 43 ILE HA H 1 4.36 0.01 . 1 . . . . . . . . 5027 1 511 . 1 1 43 43 ILE HB H 1 1.46 0.01 . 1 . . . . . . . . 5027 1 512 . 1 1 43 43 ILE HG12 H 1 0.86 0.01 . 2 . . . . . . . . 5027 1 513 . 1 1 43 43 ILE HG13 H 1 1.38 0.01 . 2 . . . . . . . . 5027 1 514 . 1 1 43 43 ILE HG21 H 1 0.68 0.01 . 1 . . . . . . . . 5027 1 515 . 1 1 43 43 ILE HG22 H 1 0.68 0.01 . 1 . . . . . . . . 5027 1 516 . 1 1 43 43 ILE HG23 H 1 0.68 0.01 . 1 . . . . . . . . 5027 1 517 . 1 1 43 43 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 518 . 1 1 43 43 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 519 . 1 1 43 43 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 520 . 1 1 43 43 ILE C C 13 175.06 0.1 . 1 . . . . . . . . 5027 1 521 . 1 1 43 43 ILE CA C 13 61.17 0.1 . 1 . . . . . . . . 5027 1 522 . 1 1 43 43 ILE CB C 13 40.36 0.1 . 1 . . . . . . . . 5027 1 523 . 1 1 43 43 ILE CG1 C 13 28.78 0.1 . 1 . . . . . . . . 5027 1 524 . 1 1 43 43 ILE CG2 C 13 16.94 0.1 . 1 . . . . . . . . 5027 1 525 . 1 1 43 43 ILE CD1 C 13 14.32 0.1 . 1 . . . . . . . . 5027 1 526 . 1 1 43 43 ILE N N 15 119.0 0.2 . 1 . . . . . . . . 5027 1 527 . 1 1 44 44 HIS H H 1 8.43 0.01 . 1 . . . . . . . . 5027 1 528 . 1 1 44 44 HIS HA H 1 4.55 0.01 . 1 . . . . . . . . 5027 1 529 . 1 1 44 44 HIS HB2 H 1 2.62 0.01 . 1 . . . . . . . . 5027 1 530 . 1 1 44 44 HIS HB3 H 1 2.62 0.01 . 1 . . . . . . . . 5027 1 531 . 1 1 44 44 HIS HD2 H 1 6.90 0.01 . 1 . . . . . . . . 5027 1 532 . 1 1 44 44 HIS C C 13 172.1 0.1 . 1 . . . . . . . . 5027 1 533 . 1 1 44 44 HIS CA C 13 54.76 0.1 . 1 . . . . . . . . 5027 1 534 . 1 1 44 44 HIS CB C 13 32.34 0.1 . 1 . . . . . . . . 5027 1 535 . 1 1 44 44 HIS N N 15 123.8 0.2 . 1 . . . . . . . . 5027 1 536 . 1 1 45 45 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 5027 1 537 . 1 1 45 45 GLU HA H 1 4.95 0.01 . 1 . . . . . . . . 5027 1 538 . 1 1 45 45 GLU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5027 1 539 . 1 1 45 45 GLU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5027 1 540 . 1 1 45 45 GLU HG2 H 1 2.01 0.01 . 2 . . . . . . . . 5027 1 541 . 1 1 45 45 GLU HG3 H 1 2.08 0.01 . 2 . . . . . . . . 5027 1 542 . 1 1 45 45 GLU C C 13 176.08 0.1 . 1 . . . . . . . . 5027 1 543 . 1 1 45 45 GLU CA C 13 54.79 0.1 . 1 . . . . . . . . 5027 1 544 . 1 1 45 45 GLU CB C 13 32.49 0.1 . 1 . . . . . . . . 5027 1 545 . 1 1 45 45 GLU CG C 13 36.88 0.1 . 1 . . . . . . . . 5027 1 546 . 1 1 45 45 GLU N N 15 121.0 0.2 . 1 . . . . . . . . 5027 1 547 . 1 1 46 46 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 5027 1 548 . 1 1 46 46 LEU HA H 1 4.41 0.01 . 1 . . . . . . . . 5027 1 549 . 1 1 46 46 LEU HB2 H 1 1.24 0.01 . 2 . . . . . . . . 5027 1 550 . 1 1 46 46 LEU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5027 1 551 . 1 1 46 46 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 5027 1 552 . 1 1 46 46 LEU HD11 H 1 1.03 0.01 . 1 . . . . . . . . 5027 1 553 . 1 1 46 46 LEU HD12 H 1 1.03 0.01 . 1 . . . . . . . . 5027 1 554 . 1 1 46 46 LEU HD13 H 1 1.03 0.01 . 1 . . . . . . . . 5027 1 555 . 1 1 46 46 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 5027 1 556 . 1 1 46 46 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 5027 1 557 . 1 1 46 46 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 5027 1 558 . 1 1 46 46 LEU C C 13 175.19 0.1 . 1 . . . . . . . . 5027 1 559 . 1 1 46 46 LEU CA C 13 56.56 0.1 . 1 . . . . . . . . 5027 1 560 . 1 1 46 46 LEU CB C 13 44.14 0.1 . 1 . . . . . . . . 5027 1 561 . 1 1 46 46 LEU CG C 13 26.86 0.1 . 1 . . . . . . . . 5027 1 562 . 1 1 46 46 LEU CD1 C 13 23.95 0.1 . 1 . . . . . . . . 5027 1 563 . 1 1 46 46 LEU CD2 C 13 27.10 0.1 . 1 . . . . . . . . 5027 1 564 . 1 1 46 46 LEU N N 15 126.8 0.2 . 1 . . . . . . . . 5027 1 565 . 1 1 47 47 PHE H H 1 8.60 0.01 . 1 . . . . . . . . 5027 1 566 . 1 1 47 47 PHE HA H 1 4.68 0.01 . 1 . . . . . . . . 5027 1 567 . 1 1 47 47 PHE HB2 H 1 3.01 0.01 . 1 . . . . . . . . 5027 1 568 . 1 1 47 47 PHE HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5027 1 569 . 1 1 47 47 PHE HD1 H 1 7.34 0.01 . 1 . . . . . . . . 5027 1 570 . 1 1 47 47 PHE HD2 H 1 7.34 0.01 . 1 . . . . . . . . 5027 1 571 . 1 1 47 47 PHE HE1 H 1 7.28 0.01 . 1 . . . . . . . . 5027 1 572 . 1 1 47 47 PHE HE2 H 1 7.28 0.01 . 1 . . . . . . . . 5027 1 573 . 1 1 47 47 PHE HZ H 1 7.20 0.01 . 1 . . . . . . . . 5027 1 574 . 1 1 47 47 PHE C C 13 174.04 0.1 . 1 . . . . . . . . 5027 1 575 . 1 1 47 47 PHE CA C 13 55.44 0.1 . 1 . . . . . . . . 5027 1 576 . 1 1 47 47 PHE CB C 13 42.75 0.1 . 1 . . . . . . . . 5027 1 577 . 1 1 47 47 PHE CD1 C 13 131.60 0.1 . 1 . . . . . . . . 5027 1 578 . 1 1 47 47 PHE CD2 C 13 131.60 0.1 . 1 . . . . . . . . 5027 1 579 . 1 1 47 47 PHE CE1 C 13 131.15 0.1 . 1 . . . . . . . . 5027 1 580 . 1 1 47 47 PHE CE2 C 13 131.15 0.1 . 1 . . . . . . . . 5027 1 581 . 1 1 47 47 PHE CZ C 13 129.92 0.1 . 1 . . . . . . . . 5027 1 582 . 1 1 47 47 PHE N N 15 127.2 0.2 . 1 . . . . . . . . 5027 1 583 . 1 1 48 48 PRO HA H 1 3.71 0.01 . 1 . . . . . . . . 5027 1 584 . 1 1 48 48 PRO HB2 H 1 1.73 0.01 . 2 . . . . . . . . 5027 1 585 . 1 1 48 48 PRO HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5027 1 586 . 1 1 48 48 PRO HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5027 1 587 . 1 1 48 48 PRO HG3 H 1 1.75 0.01 . 2 . . . . . . . . 5027 1 588 . 1 1 48 48 PRO HD2 H 1 3.35 0.01 . 2 . . . . . . . . 5027 1 589 . 1 1 48 48 PRO HD3 H 1 3.45 0.01 . 2 . . . . . . . . 5027 1 590 . 1 1 48 48 PRO C C 13 175.42 0.1 . 1 . . . . . . . . 5027 1 591 . 1 1 48 48 PRO CA C 13 62.89 0.1 . 1 . . . . . . . . 5027 1 592 . 1 1 48 48 PRO CB C 13 34.25 0.1 . 1 . . . . . . . . 5027 1 593 . 1 1 48 48 PRO CG C 13 25.69 0.1 . 1 . . . . . . . . 5027 1 594 . 1 1 48 48 PRO CD C 13 50.34 0.1 . 1 . . . . . . . . 5027 1 595 . 1 1 49 49 ALA H H 1 8.62 0.01 . 1 . . . . . . . . 5027 1 596 . 1 1 49 49 ALA HA H 1 4.51 0.01 . 1 . . . . . . . . 5027 1 597 . 1 1 49 49 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 5027 1 598 . 1 1 49 49 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5027 1 599 . 1 1 49 49 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5027 1 600 . 1 1 49 49 ALA C C 13 175.42 0.1 . 1 . . . . . . . . 5027 1 601 . 1 1 49 49 ALA CA C 13 50.94 0.1 . 1 . . . . . . . . 5027 1 602 . 1 1 49 49 ALA CB C 13 18.38 0.1 . 1 . . . . . . . . 5027 1 603 . 1 1 49 49 ALA N N 15 125.8 0.2 . 1 . . . . . . . . 5027 1 604 . 1 1 50 50 PRO HA H 1 4.55 0.01 . 1 . . . . . . . . 5027 1 605 . 1 1 50 50 PRO HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5027 1 606 . 1 1 50 50 PRO HB3 H 1 2.51 0.01 . 2 . . . . . . . . 5027 1 607 . 1 1 50 50 PRO C C 13 176.04 0.1 . 1 . . . . . . . . 5027 1 608 . 1 1 50 50 PRO CA C 13 63.36 0.1 . 1 . . . . . . . . 5027 1 609 . 1 1 50 50 PRO CB C 13 31.73 0.1 . 1 . . . . . . . . 5027 1 610 . 1 1 50 50 PRO CG C 13 28.45 0.1 . 1 . . . . . . . . 5027 1 611 . 1 1 51 51 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 5027 1 612 . 1 1 51 51 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 5027 1 613 . 1 1 51 51 ASP HB2 H 1 2.73 0.01 . 2 . . . . . . . . 5027 1 614 . 1 1 51 51 ASP HB3 H 1 2.98 0.01 . 2 . . . . . . . . 5027 1 615 . 1 1 51 51 ASP C C 13 176.83 0.1 . 1 . . . . . . . . 5027 1 616 . 1 1 51 51 ASP CA C 13 54.51 0.1 . 1 . . . . . . . . 5027 1 617 . 1 1 51 51 ASP CB C 13 43.34 0.1 . 1 . . . . . . . . 5027 1 618 . 1 1 51 51 ASP N N 15 123.4 0.2 . 1 . . . . . . . . 5027 1 619 . 1 1 52 52 GLY H H 1 7.56 0.01 . 1 . . . . . . . . 5027 1 620 . 1 1 52 52 GLY HA2 H 1 3.58 0.01 . 2 . . . . . . . . 5027 1 621 . 1 1 52 52 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 5027 1 622 . 1 1 52 52 GLY C C 13 175.22 0.1 . 1 . . . . . . . . 5027 1 623 . 1 1 52 52 GLY CA C 13 47.52 0.1 . 1 . . . . . . . . 5027 1 624 . 1 1 52 52 GLY N N 15 105.1 0.2 . 1 . . . . . . . . 5027 1 625 . 1 1 53 53 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 5027 1 626 . 1 1 53 53 GLU HA H 1 4.47 0.01 . 1 . . . . . . . . 5027 1 627 . 1 1 53 53 GLU HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5027 1 628 . 1 1 53 53 GLU HB3 H 1 2.21 0.01 . 2 . . . . . . . . 5027 1 629 . 1 1 53 53 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 5027 1 630 . 1 1 53 53 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5027 1 631 . 1 1 53 53 GLU C C 13 177.06 0.1 . 1 . . . . . . . . 5027 1 632 . 1 1 53 53 GLU CA C 13 56.70 0.1 . 1 . . . . . . . . 5027 1 633 . 1 1 53 53 GLU CB C 13 30.10 0.1 . 1 . . . . . . . . 5027 1 634 . 1 1 53 53 GLU CG C 13 37.04 0.1 . 1 . . . . . . . . 5027 1 635 . 1 1 53 53 GLU N N 15 118.4 0.2 . 1 . . . . . . . . 5027 1 636 . 1 1 54 54 GLU H H 1 7.96 0.01 . 1 . . . . . . . . 5027 1 637 . 1 1 54 54 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 5027 1 638 . 1 1 54 54 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5027 1 639 . 1 1 54 54 GLU HB3 H 1 2.41 0.01 . 2 . . . . . . . . 5027 1 640 . 1 1 54 54 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 5027 1 641 . 1 1 54 54 GLU HG3 H 1 2.41 0.01 . 2 . . . . . . . . 5027 1 642 . 1 1 54 54 GLU C C 13 175.76 0.1 . 1 . . . . . . . . 5027 1 643 . 1 1 54 54 GLU CA C 13 57.14 0.1 . 1 . . . . . . . . 5027 1 644 . 1 1 54 54 GLU CB C 13 32.27 0.1 . 1 . . . . . . . . 5027 1 645 . 1 1 54 54 GLU CG C 13 38.31 0.1 . 1 . . . . . . . . 5027 1 646 . 1 1 54 54 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 5027 1 647 . 1 1 55 55 ASP H H 1 8.00 0.01 . 1 . . . . . . . . 5027 1 648 . 1 1 55 55 ASP HA H 1 3.07 0.01 . 1 . . . . . . . . 5027 1 649 . 1 1 55 55 ASP HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5027 1 650 . 1 1 55 55 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5027 1 651 . 1 1 55 55 ASP C C 13 172.93 0.1 . 1 . . . . . . . . 5027 1 652 . 1 1 55 55 ASP CA C 13 52.34 0.1 . 1 . . . . . . . . 5027 1 653 . 1 1 55 55 ASP CB C 13 39.77 0.1 . 1 . . . . . . . . 5027 1 654 . 1 1 55 55 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 5027 1 655 . 1 1 56 56 THR H H 1 6.45 0.01 . 1 . . . . . . . . 5027 1 656 . 1 1 56 56 THR HA H 1 4.49 0.01 . 1 . . . . . . . . 5027 1 657 . 1 1 56 56 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 5027 1 658 . 1 1 56 56 THR HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 659 . 1 1 56 56 THR HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 660 . 1 1 56 56 THR HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 661 . 1 1 56 56 THR C C 13 172.88 0.1 . 1 . . . . . . . . 5027 1 662 . 1 1 56 56 THR CA C 13 59.26 0.1 . 1 . . . . . . . . 5027 1 663 . 1 1 56 56 THR CB C 13 74.11 0.1 . 1 . . . . . . . . 5027 1 664 . 1 1 56 56 THR CG2 C 13 21.87 0.1 . 1 . . . . . . . . 5027 1 665 . 1 1 56 56 THR N N 15 105.2 0.2 . 1 . . . . . . . . 5027 1 666 . 1 1 57 57 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 5027 1 667 . 1 1 57 57 ALA HA H 1 4.50 0.01 . 1 . . . . . . . . 5027 1 668 . 1 1 57 57 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 669 . 1 1 57 57 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 670 . 1 1 57 57 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 671 . 1 1 57 57 ALA C C 13 174.64 0.1 . 1 . . . . . . . . 5027 1 672 . 1 1 57 57 ALA CA C 13 52.22 0.1 . 1 . . . . . . . . 5027 1 673 . 1 1 57 57 ALA CB C 13 22.20 0.1 . 1 . . . . . . . . 5027 1 674 . 1 1 57 57 ALA N N 15 118.0 0.2 . 1 . . . . . . . . 5027 1 675 . 1 1 58 58 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 5027 1 676 . 1 1 58 58 GLU HA H 1 4.72 0.01 . 1 . . . . . . . . 5027 1 677 . 1 1 58 58 GLU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5027 1 678 . 1 1 58 58 GLU HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5027 1 679 . 1 1 58 58 GLU HG2 H 1 1.83 0.01 . 2 . . . . . . . . 5027 1 680 . 1 1 58 58 GLU HG3 H 1 1.99 0.01 . 2 . . . . . . . . 5027 1 681 . 1 1 58 58 GLU C C 13 173.61 0.1 . 1 . . . . . . . . 5027 1 682 . 1 1 58 58 GLU CA C 13 55.60 0.1 . 1 . . . . . . . . 5027 1 683 . 1 1 58 58 GLU CB C 13 32.45 0.1 . 1 . . . . . . . . 5027 1 684 . 1 1 58 58 GLU CG C 13 36.83 0.1 . 1 . . . . . . . . 5027 1 685 . 1 1 58 58 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 5027 1 686 . 1 1 59 59 LEU H H 1 8.92 0.01 . 1 . . . . . . . . 5027 1 687 . 1 1 59 59 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5027 1 688 . 1 1 59 59 LEU HB2 H 1 0.37 0.01 . 2 . . . . . . . . 5027 1 689 . 1 1 59 59 LEU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5027 1 690 . 1 1 59 59 LEU HG H 1 1.28 0.01 . 1 . . . . . . . . 5027 1 691 . 1 1 59 59 LEU HD11 H 1 0.36 0.01 . 1 . . . . . . . . 5027 1 692 . 1 1 59 59 LEU HD12 H 1 0.36 0.01 . 1 . . . . . . . . 5027 1 693 . 1 1 59 59 LEU HD13 H 1 0.36 0.01 . 1 . . . . . . . . 5027 1 694 . 1 1 59 59 LEU HD21 H 1 0.27 0.01 . 1 . . . . . . . . 5027 1 695 . 1 1 59 59 LEU HD22 H 1 0.27 0.01 . 1 . . . . . . . . 5027 1 696 . 1 1 59 59 LEU HD23 H 1 0.27 0.01 . 1 . . . . . . . . 5027 1 697 . 1 1 59 59 LEU C C 13 175.18 0.1 . 1 . . . . . . . . 5027 1 698 . 1 1 59 59 LEU CA C 13 53.76 0.1 . 1 . . . . . . . . 5027 1 699 . 1 1 59 59 LEU CB C 13 41.42 0.1 . 1 . . . . . . . . 5027 1 700 . 1 1 59 59 LEU CG C 13 27.66 0.1 . 1 . . . . . . . . 5027 1 701 . 1 1 59 59 LEU CD1 C 13 25.04 0.1 . 1 . . . . . . . . 5027 1 702 . 1 1 59 59 LEU CD2 C 13 24.32 0.1 . 1 . . . . . . . . 5027 1 703 . 1 1 59 59 LEU N N 15 126.0 0.2 . 1 . . . . . . . . 5027 1 704 . 1 1 60 60 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 5027 1 705 . 1 1 60 60 GLN HA H 1 4.67 0.01 . 1 . . . . . . . . 5027 1 706 . 1 1 60 60 GLN HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5027 1 707 . 1 1 60 60 GLN HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5027 1 708 . 1 1 60 60 GLN HG2 H 1 2.08 0.01 . 1 . . . . . . . . 5027 1 709 . 1 1 60 60 GLN HG3 H 1 2.08 0.01 . 1 . . . . . . . . 5027 1 710 . 1 1 60 60 GLN HE21 H 1 6.70 0.01 . 2 . . . . . . . . 5027 1 711 . 1 1 60 60 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 5027 1 712 . 1 1 60 60 GLN C C 13 175.55 0.1 . 1 . . . . . . . . 5027 1 713 . 1 1 60 60 GLN CA C 13 54.43 0.1 . 1 . . . . . . . . 5027 1 714 . 1 1 60 60 GLN CB C 13 32.56 0.1 . 1 . . . . . . . . 5027 1 715 . 1 1 60 60 GLN CG C 13 34.11 0.1 . 1 . . . . . . . . 5027 1 716 . 1 1 60 60 GLN N N 15 119.8 0.2 . 1 . . . . . . . . 5027 1 717 . 1 1 60 60 GLN NE2 N 15 111.7 0.2 . 1 . . . . . . . . 5027 1 718 . 1 1 61 61 GLY H H 1 8.72 0.01 . 1 . . . . . . . . 5027 1 719 . 1 1 61 61 GLY HA2 H 1 3.77 0.01 . 2 . . . . . . . . 5027 1 720 . 1 1 61 61 GLY HA3 H 1 3.83 0.01 . 2 . . . . . . . . 5027 1 721 . 1 1 61 61 GLY C C 13 175.75 0.1 . 1 . . . . . . . . 5027 1 722 . 1 1 61 61 GLY CA C 13 46.84 0.1 . 1 . . . . . . . . 5027 1 723 . 1 1 61 61 GLY N N 15 109.0 0.2 . 1 . . . . . . . . 5027 1 724 . 1 1 62 62 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 5027 1 725 . 1 1 62 62 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 5027 1 726 . 1 1 62 62 LEU HB2 H 1 0.82 0.01 . 2 . . . . . . . . 5027 1 727 . 1 1 62 62 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 5027 1 728 . 1 1 62 62 LEU HG H 1 0.80 0.01 . 1 . . . . . . . . 5027 1 729 . 1 1 62 62 LEU HD11 H 1 -0.16 0.01 . 1 . . . . . . . . 5027 1 730 . 1 1 62 62 LEU HD12 H 1 -0.16 0.01 . 1 . . . . . . . . 5027 1 731 . 1 1 62 62 LEU HD13 H 1 -0.16 0.01 . 1 . . . . . . . . 5027 1 732 . 1 1 62 62 LEU HD21 H 1 -0.12 0.01 . 1 . . . . . . . . 5027 1 733 . 1 1 62 62 LEU HD22 H 1 -0.12 0.01 . 1 . . . . . . . . 5027 1 734 . 1 1 62 62 LEU HD23 H 1 -0.12 0.01 . 1 . . . . . . . . 5027 1 735 . 1 1 62 62 LEU C C 13 175.54 0.1 . 1 . . . . . . . . 5027 1 736 . 1 1 62 62 LEU CA C 13 53.74 0.1 . 1 . . . . . . . . 5027 1 737 . 1 1 62 62 LEU CB C 13 41.61 0.1 . 1 . . . . . . . . 5027 1 738 . 1 1 62 62 LEU CG C 13 26.47 0.1 . 1 . . . . . . . . 5027 1 739 . 1 1 62 62 LEU CD1 C 13 25.88 0.1 . 1 . . . . . . . . 5027 1 740 . 1 1 62 62 LEU CD2 C 13 21.26 0.1 . 1 . . . . . . . . 5027 1 741 . 1 1 62 62 LEU N N 15 118.6 0.2 . 1 . . . . . . . . 5027 1 742 . 1 1 63 63 ARG H H 1 8.55 0.01 . 1 . . . . . . . . 5027 1 743 . 1 1 63 63 ARG HA H 1 4.59 0.01 . 1 . . . . . . . . 5027 1 744 . 1 1 63 63 ARG HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5027 1 745 . 1 1 63 63 ARG HB3 H 1 1.80 0.01 . 1 . . . . . . . . 5027 1 746 . 1 1 63 63 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 5027 1 747 . 1 1 63 63 ARG HG3 H 1 1.68 0.01 . 2 . . . . . . . . 5027 1 748 . 1 1 63 63 ARG HD2 H 1 3.05 0.01 . 1 . . . . . . . . 5027 1 749 . 1 1 63 63 ARG HD3 H 1 3.05 0.01 . 1 . . . . . . . . 5027 1 750 . 1 1 63 63 ARG HE H 1 7.35 0.01 . 1 . . . . . . . . 5027 1 751 . 1 1 63 63 ARG C C 13 174.74 0.1 . 1 . . . . . . . . 5027 1 752 . 1 1 63 63 ARG CA C 13 53.50 0.1 . 1 . . . . . . . . 5027 1 753 . 1 1 63 63 ARG CB C 13 31.11 0.1 . 1 . . . . . . . . 5027 1 754 . 1 1 63 63 ARG CG C 13 27.47 0.1 . 1 . . . . . . . . 5027 1 755 . 1 1 63 63 ARG CD C 13 43.67 0.1 . 1 . . . . . . . . 5027 1 756 . 1 1 63 63 ARG N N 15 120.3 0.2 . 1 . . . . . . . . 5027 1 757 . 1 1 63 63 ARG NE N 15 84.2 0.2 . 1 . . . . . . . . 5027 1 758 . 1 1 64 64 PRO HA H 1 5.21 0.01 . 1 . . . . . . . . 5027 1 759 . 1 1 64 64 PRO HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5027 1 760 . 1 1 64 64 PRO HB3 H 1 2.36 0.01 . 2 . . . . . . . . 5027 1 761 . 1 1 64 64 PRO HG2 H 1 1.95 0.01 . 1 . . . . . . . . 5027 1 762 . 1 1 64 64 PRO HG3 H 1 1.95 0.01 . 1 . . . . . . . . 5027 1 763 . 1 1 64 64 PRO HD2 H 1 3.57 0.01 . 2 . . . . . . . . 5027 1 764 . 1 1 64 64 PRO HD3 H 1 3.99 0.01 . 2 . . . . . . . . 5027 1 765 . 1 1 64 64 PRO C C 13 178.57 0.1 . 1 . . . . . . . . 5027 1 766 . 1 1 64 64 PRO CA C 13 63.41 0.1 . 1 . . . . . . . . 5027 1 767 . 1 1 64 64 PRO CB C 13 33.57 0.1 . 1 . . . . . . . . 5027 1 768 . 1 1 64 64 PRO CG C 13 27.38 0.1 . 1 . . . . . . . . 5027 1 769 . 1 1 64 64 PRO CD C 13 51.54 0.1 . 1 . . . . . . . . 5027 1 770 . 1 1 65 65 GLY H H 1 7.66 0.01 . 1 . . . . . . . . 5027 1 771 . 1 1 65 65 GLY HA2 H 1 3.47 0.01 . 2 . . . . . . . . 5027 1 772 . 1 1 65 65 GLY HA3 H 1 3.62 0.01 . 2 . . . . . . . . 5027 1 773 . 1 1 65 65 GLY C C 13 174.20 0.1 . 1 . . . . . . . . 5027 1 774 . 1 1 65 65 GLY CA C 13 47.90 0.1 . 1 . . . . . . . . 5027 1 775 . 1 1 65 65 GLY N N 15 113.1 0.2 . 1 . . . . . . . . 5027 1 776 . 1 1 66 66 SER H H 1 7.90 0.01 . 1 . . . . . . . . 5027 1 777 . 1 1 66 66 SER HA H 1 4.55 0.01 . 1 . . . . . . . . 5027 1 778 . 1 1 66 66 SER HB2 H 1 3.41 0.01 . 2 . . . . . . . . 5027 1 779 . 1 1 66 66 SER HB3 H 1 3.47 0.01 . 2 . . . . . . . . 5027 1 780 . 1 1 66 66 SER C C 13 171.74 0.1 . 1 . . . . . . . . 5027 1 781 . 1 1 66 66 SER CA C 13 58.47 0.1 . 1 . . . . . . . . 5027 1 782 . 1 1 66 66 SER CB C 13 66.37 0.1 . 1 . . . . . . . . 5027 1 783 . 1 1 66 66 SER N N 15 114.6 0.2 . 1 . . . . . . . . 5027 1 784 . 1 1 67 67 GLU H H 1 8.83 0.01 . 1 . . . . . . . . 5027 1 785 . 1 1 67 67 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 5027 1 786 . 1 1 67 67 GLU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5027 1 787 . 1 1 67 67 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5027 1 788 . 1 1 67 67 GLU HG2 H 1 1.70 0.01 . 2 . . . . . . . . 5027 1 789 . 1 1 67 67 GLU HG3 H 1 1.76 0.01 . 2 . . . . . . . . 5027 1 790 . 1 1 67 67 GLU C C 13 175.21 0.1 . 1 . . . . . . . . 5027 1 791 . 1 1 67 67 GLU CA C 13 57.25 0.1 . 1 . . . . . . . . 5027 1 792 . 1 1 67 67 GLU CB C 13 30.97 0.1 . 1 . . . . . . . . 5027 1 793 . 1 1 67 67 GLU CG C 13 37.92 0.1 . 1 . . . . . . . . 5027 1 794 . 1 1 67 67 GLU N N 15 124.6 0.2 . 1 . . . . . . . . 5027 1 795 . 1 1 68 68 TYR H H 1 8.65 0.01 . 1 . . . . . . . . 5027 1 796 . 1 1 68 68 TYR HA H 1 5.08 0.01 . 1 . . . . . . . . 5027 1 797 . 1 1 68 68 TYR HB2 H 1 2.47 0.01 . 2 . . . . . . . . 5027 1 798 . 1 1 68 68 TYR HB3 H 1 2.92 0.01 . 2 . . . . . . . . 5027 1 799 . 1 1 68 68 TYR HD1 H 1 7.02 0.01 . 1 . . . . . . . . 5027 1 800 . 1 1 68 68 TYR HD2 H 1 7.02 0.01 . 1 . . . . . . . . 5027 1 801 . 1 1 68 68 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 5027 1 802 . 1 1 68 68 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 5027 1 803 . 1 1 68 68 TYR C C 13 175.78 0.1 . 1 . . . . . . . . 5027 1 804 . 1 1 68 68 TYR CA C 13 58.34 0.1 . 1 . . . . . . . . 5027 1 805 . 1 1 68 68 TYR CB C 13 40.43 0.1 . 1 . . . . . . . . 5027 1 806 . 1 1 68 68 TYR CD1 C 13 133.08 0.1 . 1 . . . . . . . . 5027 1 807 . 1 1 68 68 TYR CD2 C 13 133.08 0.1 . 1 . . . . . . . . 5027 1 808 . 1 1 68 68 TYR CE1 C 13 118.06 0.1 . 1 . . . . . . . . 5027 1 809 . 1 1 68 68 TYR CE2 C 13 118.06 0.1 . 1 . . . . . . . . 5027 1 810 . 1 1 68 68 TYR N N 15 128.5 0.2 . 1 . . . . . . . . 5027 1 811 . 1 1 69 69 THR H H 1 9.42 0.01 . 1 . . . . . . . . 5027 1 812 . 1 1 69 69 THR HA H 1 4.79 0.01 . 1 . . . . . . . . 5027 1 813 . 1 1 69 69 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 5027 1 814 . 1 1 69 69 THR HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5027 1 815 . 1 1 69 69 THR HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5027 1 816 . 1 1 69 69 THR HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5027 1 817 . 1 1 69 69 THR C C 13 174.65 0.1 . 1 . . . . . . . . 5027 1 818 . 1 1 69 69 THR CA C 13 63.01 0.1 . 1 . . . . . . . . 5027 1 819 . 1 1 69 69 THR CB C 13 69.97 0.1 . 1 . . . . . . . . 5027 1 820 . 1 1 69 69 THR CG2 C 13 21.02 0.1 . 1 . . . . . . . . 5027 1 821 . 1 1 69 69 THR N N 15 119.2 0.2 . 1 . . . . . . . . 5027 1 822 . 1 1 70 70 VAL H H 1 9.58 0.01 . 1 . . . . . . . . 5027 1 823 . 1 1 70 70 VAL HA H 1 4.90 0.01 . 1 . . . . . . . . 5027 1 824 . 1 1 70 70 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 5027 1 825 . 1 1 70 70 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 5027 1 826 . 1 1 70 70 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 5027 1 827 . 1 1 70 70 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 5027 1 828 . 1 1 70 70 VAL HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 829 . 1 1 70 70 VAL HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 830 . 1 1 70 70 VAL HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5027 1 831 . 1 1 70 70 VAL C C 13 172.84 0.1 . 1 . . . . . . . . 5027 1 832 . 1 1 70 70 VAL CA C 13 61.59 0.1 . 1 . . . . . . . . 5027 1 833 . 1 1 70 70 VAL CB C 13 34.97 0.1 . 1 . . . . . . . . 5027 1 834 . 1 1 70 70 VAL CG1 C 13 21.86 0.1 . 1 . . . . . . . . 5027 1 835 . 1 1 70 70 VAL CG2 C 13 21.86 0.1 . 1 . . . . . . . . 5027 1 836 . 1 1 70 70 VAL N N 15 130.6 0.2 . 1 . . . . . . . . 5027 1 837 . 1 1 71 71 SER H H 1 8.94 0.01 . 1 . . . . . . . . 5027 1 838 . 1 1 71 71 SER HA H 1 5.52 0.01 . 1 . . . . . . . . 5027 1 839 . 1 1 71 71 SER HB2 H 1 3.50 0.01 . 2 . . . . . . . . 5027 1 840 . 1 1 71 71 SER HB3 H 1 3.60 0.01 . 2 . . . . . . . . 5027 1 841 . 1 1 71 71 SER C C 13 173.54 0.1 . 1 . . . . . . . . 5027 1 842 . 1 1 71 71 SER CA C 13 55.82 0.1 . 1 . . . . . . . . 5027 1 843 . 1 1 71 71 SER CB C 13 65.21 0.1 . 1 . . . . . . . . 5027 1 844 . 1 1 71 71 SER N N 15 119.0 0.2 . 1 . . . . . . . . 5027 1 845 . 1 1 72 72 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 5027 1 846 . 1 1 72 72 VAL HA H 1 4.20 0.01 . 1 . . . . . . . . 5027 1 847 . 1 1 72 72 VAL HB H 1 1.45 0.01 . 1 . . . . . . . . 5027 1 848 . 1 1 72 72 VAL HG11 H 1 -0.60 0.01 . 1 . . . . . . . . 5027 1 849 . 1 1 72 72 VAL HG12 H 1 -0.60 0.01 . 1 . . . . . . . . 5027 1 850 . 1 1 72 72 VAL HG13 H 1 -0.60 0.01 . 1 . . . . . . . . 5027 1 851 . 1 1 72 72 VAL HG21 H 1 0.22 0.01 . 1 . . . . . . . . 5027 1 852 . 1 1 72 72 VAL HG22 H 1 0.22 0.01 . 1 . . . . . . . . 5027 1 853 . 1 1 72 72 VAL HG23 H 1 0.22 0.01 . 1 . . . . . . . . 5027 1 854 . 1 1 72 72 VAL C C 13 174.70 0.1 . 1 . . . . . . . . 5027 1 855 . 1 1 72 72 VAL CA C 13 62.46 0.1 . 1 . . . . . . . . 5027 1 856 . 1 1 72 72 VAL CB C 13 34.32 0.1 . 1 . . . . . . . . 5027 1 857 . 1 1 72 72 VAL CG1 C 13 20.15 0.1 . 1 . . . . . . . . 5027 1 858 . 1 1 72 72 VAL CG2 C 13 20.61 0.1 . 1 . . . . . . . . 5027 1 859 . 1 1 72 72 VAL N N 15 126.2 0.2 . 1 . . . . . . . . 5027 1 860 . 1 1 73 73 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 5027 1 861 . 1 1 73 73 VAL HA H 1 3.90 0.01 . 1 . . . . . . . . 5027 1 862 . 1 1 73 73 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 5027 1 863 . 1 1 73 73 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 5027 1 864 . 1 1 73 73 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 5027 1 865 . 1 1 73 73 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 5027 1 866 . 1 1 73 73 VAL HG21 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 867 . 1 1 73 73 VAL HG22 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 868 . 1 1 73 73 VAL HG23 H 1 0.71 0.01 . 1 . . . . . . . . 5027 1 869 . 1 1 73 73 VAL C C 13 174.79 0.1 . 1 . . . . . . . . 5027 1 870 . 1 1 73 73 VAL CA C 13 61.63 0.1 . 1 . . . . . . . . 5027 1 871 . 1 1 73 73 VAL CB C 13 36.61 0.1 . 1 . . . . . . . . 5027 1 872 . 1 1 73 73 VAL CG1 C 13 21.50 0.1 . 1 . . . . . . . . 5027 1 873 . 1 1 73 73 VAL CG2 C 13 22.95 0.1 . 1 . . . . . . . . 5027 1 874 . 1 1 73 73 VAL N N 15 126.6 0.2 . 1 . . . . . . . . 5027 1 875 . 1 1 74 74 ALA H H 1 8.40 0.01 . 1 . . . . . . . . 5027 1 876 . 1 1 74 74 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 5027 1 877 . 1 1 74 74 ALA HB1 H 1 1.17 0.01 . 1 . . . . . . . . 5027 1 878 . 1 1 74 74 ALA HB2 H 1 1.17 0.01 . 1 . . . . . . . . 5027 1 879 . 1 1 74 74 ALA HB3 H 1 1.17 0.01 . 1 . . . . . . . . 5027 1 880 . 1 1 74 74 ALA C C 13 175.05 0.1 . 1 . . . . . . . . 5027 1 881 . 1 1 74 74 ALA CA C 13 51.38 0.1 . 1 . . . . . . . . 5027 1 882 . 1 1 74 74 ALA CB C 13 21.65 0.1 . 1 . . . . . . . . 5027 1 883 . 1 1 74 74 ALA N N 15 128.6 0.2 . 1 . . . . . . . . 5027 1 884 . 1 1 75 75 LEU H H 1 8.30 0.01 . 1 . . . . . . . . 5027 1 885 . 1 1 75 75 LEU HA H 1 5.16 0.01 . 1 . . . . . . . . 5027 1 886 . 1 1 75 75 LEU HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5027 1 887 . 1 1 75 75 LEU HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5027 1 888 . 1 1 75 75 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 5027 1 889 . 1 1 75 75 LEU HD11 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 890 . 1 1 75 75 LEU HD12 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 891 . 1 1 75 75 LEU HD13 H 1 0.62 0.01 . 1 . . . . . . . . 5027 1 892 . 1 1 75 75 LEU HD21 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 893 . 1 1 75 75 LEU HD22 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 894 . 1 1 75 75 LEU HD23 H 1 0.70 0.01 . 1 . . . . . . . . 5027 1 895 . 1 1 75 75 LEU C C 13 177.10 0.1 . 1 . . . . . . . . 5027 1 896 . 1 1 75 75 LEU CA C 13 54.67 0.1 . 1 . . . . . . . . 5027 1 897 . 1 1 75 75 LEU CB C 13 44.06 0.1 . 1 . . . . . . . . 5027 1 898 . 1 1 75 75 LEU CG C 13 28.13 0.1 . 1 . . . . . . . . 5027 1 899 . 1 1 75 75 LEU CD1 C 13 26.17 0.1 . 1 . . . . . . . . 5027 1 900 . 1 1 75 75 LEU CD2 C 13 25.63 0.1 . 1 . . . . . . . . 5027 1 901 . 1 1 75 75 LEU N N 15 120.1 0.2 . 1 . . . . . . . . 5027 1 902 . 1 1 76 76 HIS H H 1 8.13 0.01 . 1 . . . . . . . . 5027 1 903 . 1 1 76 76 HIS HA H 1 4.50 0.01 . 1 . . . . . . . . 5027 1 904 . 1 1 76 76 HIS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5027 1 905 . 1 1 76 76 HIS HB3 H 1 3.08 0.01 . 2 . . . . . . . . 5027 1 906 . 1 1 76 76 HIS C C 13 173.99 0.1 . 1 . . . . . . . . 5027 1 907 . 1 1 76 76 HIS CA C 13 57.29 0.1 . 1 . . . . . . . . 5027 1 908 . 1 1 76 76 HIS CB C 13 32.71 0.1 . 1 . . . . . . . . 5027 1 909 . 1 1 76 76 HIS N N 15 119.3 0.2 . 1 . . . . . . . . 5027 1 910 . 1 1 77 77 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 5027 1 911 . 1 1 77 77 ASP HA H 1 3.90 0.01 . 1 . . . . . . . . 5027 1 912 . 1 1 77 77 ASP HB2 H 1 2.24 0.01 . 2 . . . . . . . . 5027 1 913 . 1 1 77 77 ASP HB3 H 1 2.66 0.01 . 2 . . . . . . . . 5027 1 914 . 1 1 77 77 ASP C C 13 174.92 0.1 . 1 . . . . . . . . 5027 1 915 . 1 1 77 77 ASP CA C 13 56.30 0.1 . 1 . . . . . . . . 5027 1 916 . 1 1 77 77 ASP CB C 13 39.11 0.1 . 1 . . . . . . . . 5027 1 917 . 1 1 77 77 ASP N N 15 127.0 0.2 . 1 . . . . . . . . 5027 1 918 . 1 1 78 78 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 5027 1 919 . 1 1 79 79 MET H H 1 8.26 0.01 . 1 . . . . . . . . 5027 1 920 . 1 1 79 79 MET HA H 1 4.62 0.01 . 1 . . . . . . . . 5027 1 921 . 1 1 79 79 MET HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5027 1 922 . 1 1 79 79 MET HB3 H 1 2.22 0.01 . 2 . . . . . . . . 5027 1 923 . 1 1 79 79 MET HG2 H 1 2.49 0.01 . 2 . . . . . . . . 5027 1 924 . 1 1 79 79 MET HG3 H 1 2.57 0.01 . 2 . . . . . . . . 5027 1 925 . 1 1 79 79 MET HE1 H 1 2.06 0.01 . 1 . . . . . . . . 5027 1 926 . 1 1 79 79 MET HE2 H 1 2.06 0.01 . 1 . . . . . . . . 5027 1 927 . 1 1 79 79 MET HE3 H 1 2.06 0.01 . 1 . . . . . . . . 5027 1 928 . 1 1 79 79 MET C C 13 175.38 0.1 . 1 . . . . . . . . 5027 1 929 . 1 1 79 79 MET CA C 13 55.41 0.1 . 1 . . . . . . . . 5027 1 930 . 1 1 79 79 MET CB C 13 35.82 0.1 . 1 . . . . . . . . 5027 1 931 . 1 1 79 79 MET CG C 13 32.39 0.1 . 1 . . . . . . . . 5027 1 932 . 1 1 79 79 MET CE C 13 17.51 0.1 . 1 . . . . . . . . 5027 1 933 . 1 1 80 80 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 5027 1 934 . 1 1 80 80 GLU HA H 1 5.18 0.01 . 1 . . . . . . . . 5027 1 935 . 1 1 80 80 GLU HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5027 1 936 . 1 1 80 80 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5027 1 937 . 1 1 80 80 GLU HG2 H 1 2.05 0.01 . 1 . . . . . . . . 5027 1 938 . 1 1 80 80 GLU HG3 H 1 2.05 0.01 . 1 . . . . . . . . 5027 1 939 . 1 1 80 80 GLU C C 13 176.62 0.1 . 1 . . . . . . . . 5027 1 940 . 1 1 80 80 GLU CA C 13 54.65 0.1 . 1 . . . . . . . . 5027 1 941 . 1 1 80 80 GLU CB C 13 33.56 0.1 . 1 . . . . . . . . 5027 1 942 . 1 1 80 80 GLU CG C 13 35.84 0.1 . 1 . . . . . . . . 5027 1 943 . 1 1 80 80 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 5027 1 944 . 1 1 81 81 SER H H 1 8.97 0.01 . 1 . . . . . . . . 5027 1 945 . 1 1 81 81 SER HA H 1 4.55 0.01 . 1 . . . . . . . . 5027 1 946 . 1 1 81 81 SER HB2 H 1 4.24 0.01 . 1 . . . . . . . . 5027 1 947 . 1 1 81 81 SER HB3 H 1 4.24 0.01 . 1 . . . . . . . . 5027 1 948 . 1 1 81 81 SER C C 13 174.15 0.1 . 1 . . . . . . . . 5027 1 949 . 1 1 81 81 SER CA C 13 58.36 0.1 . 1 . . . . . . . . 5027 1 950 . 1 1 81 81 SER CB C 13 67.32 0.1 . 1 . . . . . . . . 5027 1 951 . 1 1 81 81 SER N N 15 119.3 0.2 . 1 . . . . . . . . 5027 1 952 . 1 1 82 82 GLN H H 1 8.76 0.01 . 1 . . . . . . . . 5027 1 953 . 1 1 82 82 GLN HA H 1 4.43 0.01 . 1 . . . . . . . . 5027 1 954 . 1 1 82 82 GLN HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5027 1 955 . 1 1 82 82 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5027 1 956 . 1 1 82 82 GLN HG2 H 1 2.52 0.01 . 1 . . . . . . . . 5027 1 957 . 1 1 82 82 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 5027 1 958 . 1 1 82 82 GLN HE21 H 1 6.92 0.01 . 2 . . . . . . . . 5027 1 959 . 1 1 82 82 GLN HE22 H 1 7.66 0.01 . 2 . . . . . . . . 5027 1 960 . 1 1 82 82 GLN C C 13 175.63 0.1 . 1 . . . . . . . . 5027 1 961 . 1 1 82 82 GLN CA C 13 55.39 0.1 . 1 . . . . . . . . 5027 1 962 . 1 1 82 82 GLN CB C 13 28.30 0.1 . 1 . . . . . . . . 5027 1 963 . 1 1 82 82 GLN CG C 13 34.49 0.1 . 1 . . . . . . . . 5027 1 964 . 1 1 82 82 GLN N N 15 118.2 0.2 . 1 . . . . . . . . 5027 1 965 . 1 1 82 82 GLN NE2 N 15 113.2 0.2 . 1 . . . . . . . . 5027 1 966 . 1 1 83 83 PRO HA H 1 4.48 0.01 . 1 . . . . . . . . 5027 1 967 . 1 1 83 83 PRO HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5027 1 968 . 1 1 83 83 PRO HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5027 1 969 . 1 1 83 83 PRO C C 13 176.25 0.1 . 1 . . . . . . . . 5027 1 970 . 1 1 83 83 PRO CA C 13 63.38 0.1 . 1 . . . . . . . . 5027 1 971 . 1 1 83 83 PRO CB C 13 32.51 0.1 . 1 . . . . . . . . 5027 1 972 . 1 1 83 83 PRO CG C 13 27.87 0.1 . 1 . . . . . . . . 5027 1 973 . 1 1 84 84 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 5027 1 974 . 1 1 84 84 LEU HA H 1 4.54 0.01 . 1 . . . . . . . . 5027 1 975 . 1 1 84 84 LEU HB2 H 1 1.35 0.01 . 2 . . . . . . . . 5027 1 976 . 1 1 84 84 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5027 1 977 . 1 1 84 84 LEU HG H 1 1.26 0.01 . 1 . . . . . . . . 5027 1 978 . 1 1 84 84 LEU HD11 H 1 0.96 0.01 . 1 . . . . . . . . 5027 1 979 . 1 1 84 84 LEU HD12 H 1 0.96 0.01 . 1 . . . . . . . . 5027 1 980 . 1 1 84 84 LEU HD13 H 1 0.96 0.01 . 1 . . . . . . . . 5027 1 981 . 1 1 84 84 LEU HD21 H 1 0.46 0.01 . 1 . . . . . . . . 5027 1 982 . 1 1 84 84 LEU HD22 H 1 0.46 0.01 . 1 . . . . . . . . 5027 1 983 . 1 1 84 84 LEU HD23 H 1 0.46 0.01 . 1 . . . . . . . . 5027 1 984 . 1 1 84 84 LEU C C 13 172.29 0.1 . 1 . . . . . . . . 5027 1 985 . 1 1 84 84 LEU CA C 13 54.43 0.1 . 1 . . . . . . . . 5027 1 986 . 1 1 84 84 LEU CB C 13 43.35 0.1 . 1 . . . . . . . . 5027 1 987 . 1 1 84 84 LEU CG C 13 27.10 0.1 . 1 . . . . . . . . 5027 1 988 . 1 1 84 84 LEU CD1 C 13 22.49 0.1 . 1 . . . . . . . . 5027 1 989 . 1 1 84 84 LEU CD2 C 13 26.60 0.1 . 1 . . . . . . . . 5027 1 990 . 1 1 84 84 LEU N N 15 125.9 0.2 . 1 . . . . . . . . 5027 1 991 . 1 1 85 85 ILE H H 1 8.35 0.01 . 1 . . . . . . . . 5027 1 992 . 1 1 85 85 ILE HA H 1 5.58 0.01 . 1 . . . . . . . . 5027 1 993 . 1 1 85 85 ILE HB H 1 1.50 0.01 . 1 . . . . . . . . 5027 1 994 . 1 1 85 85 ILE HG12 H 1 0.94 0.01 . 2 . . . . . . . . 5027 1 995 . 1 1 85 85 ILE HG13 H 1 1.32 0.01 . 2 . . . . . . . . 5027 1 996 . 1 1 85 85 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 997 . 1 1 85 85 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 998 . 1 1 85 85 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 5027 1 999 . 1 1 85 85 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 1000 . 1 1 85 85 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 1001 . 1 1 85 85 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5027 1 1002 . 1 1 85 85 ILE C C 13 176.90 0.1 . 1 . . . . . . . . 5027 1 1003 . 1 1 85 85 ILE CA C 13 59.98 0.1 . 1 . . . . . . . . 5027 1 1004 . 1 1 85 85 ILE CB C 13 41.89 0.1 . 1 . . . . . . . . 5027 1 1005 . 1 1 85 85 ILE CG1 C 13 28.09 0.1 . 1 . . . . . . . . 5027 1 1006 . 1 1 85 85 ILE CG2 C 13 17.54 0.1 . 1 . . . . . . . . 5027 1 1007 . 1 1 85 85 ILE CD1 C 13 13.86 0.1 . 1 . . . . . . . . 5027 1 1008 . 1 1 85 85 ILE N N 15 125.7 0.2 . 1 . . . . . . . . 5027 1 1009 . 1 1 86 86 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 5027 1 1010 . 1 1 86 86 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 5027 1 1011 . 1 1 86 86 GLY HA3 H 1 4.61 0.01 . 2 . . . . . . . . 5027 1 1012 . 1 1 86 86 GLY C C 13 171.23 0.1 . 1 . . . . . . . . 5027 1 1013 . 1 1 86 86 GLY CA C 13 45.54 0.1 . 1 . . . . . . . . 5027 1 1014 . 1 1 86 86 GLY N N 15 113.8 0.2 . 1 . . . . . . . . 5027 1 1015 . 1 1 87 87 THR H H 1 8.52 0.01 . 1 . . . . . . . . 5027 1 1016 . 1 1 87 87 THR HA H 1 5.59 0.01 . 1 . . . . . . . . 5027 1 1017 . 1 1 87 87 THR HB H 1 3.73 0.01 . 1 . . . . . . . . 5027 1 1018 . 1 1 87 87 THR HG21 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 1019 . 1 1 87 87 THR HG22 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 1020 . 1 1 87 87 THR HG23 H 1 1.01 0.01 . 1 . . . . . . . . 5027 1 1021 . 1 1 87 87 THR C C 13 173.08 0.1 . 1 . . . . . . . . 5027 1 1022 . 1 1 87 87 THR CA C 13 60.76 0.1 . 1 . . . . . . . . 5027 1 1023 . 1 1 87 87 THR CB C 13 72.34 0.1 . 1 . . . . . . . . 5027 1 1024 . 1 1 87 87 THR CG2 C 13 21.90 0.1 . 1 . . . . . . . . 5027 1 1025 . 1 1 87 87 THR N N 15 113.4 0.2 . 1 . . . . . . . . 5027 1 1026 . 1 1 88 88 GLN H H 1 8.83 0.01 . 1 . . . . . . . . 5027 1 1027 . 1 1 88 88 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5027 1 1028 . 1 1 88 88 GLN HB2 H 1 0.35 0.01 . 2 . . . . . . . . 5027 1 1029 . 1 1 88 88 GLN HB3 H 1 0.62 0.01 . 2 . . . . . . . . 5027 1 1030 . 1 1 88 88 GLN HG2 H 1 1.46 0.01 . 2 . . . . . . . . 5027 1 1031 . 1 1 88 88 GLN HG3 H 1 1.78 0.01 . 2 . . . . . . . . 5027 1 1032 . 1 1 88 88 GLN HE21 H 1 6.99 0.01 . 2 . . . . . . . . 5027 1 1033 . 1 1 88 88 GLN HE22 H 1 8.06 0.01 . 2 . . . . . . . . 5027 1 1034 . 1 1 88 88 GLN C C 13 174.15 0.1 . 1 . . . . . . . . 5027 1 1035 . 1 1 88 88 GLN CA C 13 54.95 0.1 . 1 . . . . . . . . 5027 1 1036 . 1 1 88 88 GLN CB C 13 31.47 0.1 . 1 . . . . . . . . 5027 1 1037 . 1 1 88 88 GLN CG C 13 34.51 0.1 . 1 . . . . . . . . 5027 1 1038 . 1 1 88 88 GLN N N 15 123.7 0.2 . 1 . . . . . . . . 5027 1 1039 . 1 1 88 88 GLN NE2 N 15 117.2 0.2 . 1 . . . . . . . . 5027 1 1040 . 1 1 89 89 SER H H 1 8.47 0.01 . 1 . . . . . . . . 5027 1 1041 . 1 1 89 89 SER HA H 1 5.91 0.01 . 1 . . . . . . . . 5027 1 1042 . 1 1 89 89 SER HB2 H 1 3.56 0.01 . 2 . . . . . . . . 5027 1 1043 . 1 1 89 89 SER HB3 H 1 3.60 0.01 . 2 . . . . . . . . 5027 1 1044 . 1 1 89 89 SER C C 13 177.32 0.1 . 1 . . . . . . . . 5027 1 1045 . 1 1 89 89 SER CA C 13 57.15 0.1 . 1 . . . . . . . . 5027 1 1046 . 1 1 89 89 SER CB C 13 64.42 0.1 . 1 . . . . . . . . 5027 1 1047 . 1 1 89 89 SER N N 15 121.7 0.2 . 1 . . . . . . . . 5027 1 1048 . 1 1 90 90 THR H H 1 8.90 0.01 . 1 . . . . . . . . 5027 1 1049 . 1 1 90 90 THR HA H 1 4.10 0.01 . 1 . . . . . . . . 5027 1 1050 . 1 1 90 90 THR HB H 1 4.78 0.01 . 1 . . . . . . . . 5027 1 1051 . 1 1 90 90 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5027 1 1052 . 1 1 90 90 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5027 1 1053 . 1 1 90 90 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5027 1 1054 . 1 1 90 90 THR C C 13 175.24 0.1 . 1 . . . . . . . . 5027 1 1055 . 1 1 90 90 THR CA C 13 61.69 0.1 . 1 . . . . . . . . 5027 1 1056 . 1 1 90 90 THR CB C 13 70.33 0.1 . 1 . . . . . . . . 5027 1 1057 . 1 1 90 90 THR CG2 C 13 25.67 0.1 . 1 . . . . . . . . 5027 1 1058 . 1 1 90 90 THR N N 15 114.7 0.2 . 1 . . . . . . . . 5027 1 1059 . 1 1 91 91 ALA H H 1 7.23 0.01 . 1 . . . . . . . . 5027 1 1060 . 1 1 91 91 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 5027 1 1061 . 1 1 91 91 ALA HB1 H 1 1.10 0.01 . 1 . . . . . . . . 5027 1 1062 . 1 1 91 91 ALA HB2 H 1 1.10 0.01 . 1 . . . . . . . . 5027 1 1063 . 1 1 91 91 ALA HB3 H 1 1.10 0.01 . 1 . . . . . . . . 5027 1 1064 . 1 1 91 91 ALA C C 13 175.80 0.1 . 1 . . . . . . . . 5027 1 1065 . 1 1 91 91 ALA CA C 13 51.75 0.1 . 1 . . . . . . . . 5027 1 1066 . 1 1 91 91 ALA CB C 13 19.67 0.1 . 1 . . . . . . . . 5027 1 1067 . 1 1 91 91 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 5027 1 1068 . 1 1 92 92 ILE H H 1 7.82 0.01 . 1 . . . . . . . . 5027 1 1069 . 1 1 92 92 ILE HA H 1 4.39 0.01 . 1 . . . . . . . . 5027 1 1070 . 1 1 92 92 ILE HB H 1 1.72 0.01 . 1 . . . . . . . . 5027 1 1071 . 1 1 92 92 ILE HG12 H 1 0.99 0.01 . 2 . . . . . . . . 5027 1 1072 . 1 1 92 92 ILE HG13 H 1 1.44 0.01 . 2 . . . . . . . . 5027 1 1073 . 1 1 92 92 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5027 1 1074 . 1 1 92 92 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5027 1 1075 . 1 1 92 92 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5027 1 1076 . 1 1 92 92 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 1077 . 1 1 92 92 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 1078 . 1 1 92 92 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 5027 1 1079 . 1 1 92 92 ILE C C 13 175.11 0.1 . 1 . . . . . . . . 5027 1 1080 . 1 1 92 92 ILE CA C 13 58.83 0.1 . 1 . . . . . . . . 5027 1 1081 . 1 1 92 92 ILE CB C 13 39.62 0.1 . 1 . . . . . . . . 5027 1 1082 . 1 1 92 92 ILE CG1 C 13 27.50 0.1 . 1 . . . . . . . . 5027 1 1083 . 1 1 92 92 ILE CG2 C 13 17.66 0.1 . 1 . . . . . . . . 5027 1 1084 . 1 1 92 92 ILE CD1 C 13 13.66 0.1 . 1 . . . . . . . . 5027 1 1085 . 1 1 92 92 ILE N N 15 116.0 0.2 . 1 . . . . . . . . 5027 1 1086 . 1 1 93 93 PRO HA H 1 4.24 0.01 . 1 . . . . . . . . 5027 1 1087 . 1 1 93 93 PRO HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5027 1 1088 . 1 1 93 93 PRO HB3 H 1 2.20 0.01 . 2 . . . . . . . . 5027 1 1089 . 1 1 93 93 PRO HG2 H 1 1.99 0.01 . 1 . . . . . . . . 5027 1 1090 . 1 1 93 93 PRO HG3 H 1 1.99 0.01 . 1 . . . . . . . . 5027 1 1091 . 1 1 93 93 PRO HD2 H 1 3.65 0.01 . 1 . . . . . . . . 5027 1 1092 . 1 1 93 93 PRO HD3 H 1 3.65 0.01 . 1 . . . . . . . . 5027 1 1093 . 1 1 93 93 PRO C C 13 176.25 0.1 . 1 . . . . . . . . 5027 1 1094 . 1 1 93 93 PRO CA C 13 63.51 0.1 . 1 . . . . . . . . 5027 1 1095 . 1 1 93 93 PRO CB C 13 32.29 0.1 . 1 . . . . . . . . 5027 1 1096 . 1 1 93 93 PRO CG C 13 27.74 0.1 . 1 . . . . . . . . 5027 1 1097 . 1 1 93 93 PRO CD C 13 51.25 0.1 . 1 . . . . . . . . 5027 1 1098 . 1 1 94 94 ALA H H 1 8.32 0.01 . 1 . . . . . . . . 5027 1 1099 . 1 1 94 94 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 5027 1 1100 . 1 1 94 94 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 1101 . 1 1 94 94 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 1102 . 1 1 94 94 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5027 1 1103 . 1 1 94 94 ALA CA C 13 52.62 0.1 . 1 . . . . . . . . 5027 1 1104 . 1 1 94 94 ALA CB C 13 19.44 0.1 . 1 . . . . . . . . 5027 1 1105 . 1 1 94 94 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 5027 1 stop_ save_