data_7032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7032 _Entry.Title ; NMR Solution Structure, Dynamics and Binding Properties of the Kringle IV Type 8 module of apolipoprotein(a) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-24 _Entry.Accession_date 2006-03-24 _Entry.Last_release_date 2007-09-24 _Entry.Original_release_date 2007-09-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Chemical shift assignments' _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 Seth Chitayat . . . 7032 2 Voula Kanelis . . . 7032 3 Marlys Koschinsky . L. . 7032 4 Steven Smith . P. . 7032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 7032 '15N chemical shifts' 102 7032 '1H chemical shifts' 645 7032 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 . . 2007-09-24 2006-03-24 original author . 7032 stop_ save_ ############### # Citations # ############### save_BMRB_Chemical_Shifts_for_KIV8 _Citation.Sf_category citations _Citation.Sf_framecode BMRB_Chemical_Shifts_for_KIV8 _Citation.Entry_ID 7032 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17263558 _Citation.Full_citation . _Citation.Title ; Nuclear magnetic resonance (NMR) solution structure, dynamics, and binding properties of the kringle IV type 8 module of apolipoprotein(a) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1732 _Citation.Page_last 1742 _Citation.Year 2007 _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 Seth Chitayat . . . 7032 1 2 Voula Kanelis . . . 7032 1 3 Marlys Koschinsky . L. . 7032 1 4 Steven Smith . P. . 7032 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7032 _Assembly.ID 1 _Assembly.Name KIV8 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 14000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7032 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 KIV8 1 $KIV8 . . yes native no no . . . 7032 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 7032 1 2 disulfide single . 1 . 1 CYS 39 39 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . 7032 1 3 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 7032 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID . IUPAC 7032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KIV8 _Entity.Sf_category entity _Entity.Sf_framecode KIV8 _Entity.Entry_ID 7032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KIV8 _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 ; IEGRHMAPTENSTGVQDCYR GDGQSYRGTLSTTITGRTCQ SWSSMTPHWHRRIPLYYPNA GLTRNYCRNPDAEIRPWCYT MDPSVRWEYCNLTRCPVTES SV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2FEB . "Nmr Solution Structure, Dynamics And Binding Properties Of The Kringle Iv Type 8 Module Of Apolipoprotein(A)" . . . . . 100.00 102 100.00 100.00 1.43e-68 . . . . 7032 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 . ILE . 7032 1 2 . GLU . 7032 1 3 . GLY . 7032 1 4 . ARG . 7032 1 5 . HIS . 7032 1 6 . MET . 7032 1 7 . ALA . 7032 1 8 . PRO . 7032 1 9 . THR . 7032 1 10 . GLU . 7032 1 11 . ASN . 7032 1 12 . SER . 7032 1 13 . THR . 7032 1 14 . GLY . 7032 1 15 . VAL . 7032 1 16 . GLN . 7032 1 17 . ASP . 7032 1 18 . CYS . 7032 1 19 . TYR . 7032 1 20 . ARG . 7032 1 21 . GLY . 7032 1 22 . ASP . 7032 1 23 . GLY . 7032 1 24 . GLN . 7032 1 25 . SER . 7032 1 26 . TYR . 7032 1 27 . ARG . 7032 1 28 . GLY . 7032 1 29 . THR . 7032 1 30 . LEU . 7032 1 31 . SER . 7032 1 32 . THR . 7032 1 33 . THR . 7032 1 34 . ILE . 7032 1 35 . THR . 7032 1 36 . GLY . 7032 1 37 . ARG . 7032 1 38 . THR . 7032 1 39 . CYS . 7032 1 40 . GLN . 7032 1 41 . SER . 7032 1 42 . TRP . 7032 1 43 . SER . 7032 1 44 . SER . 7032 1 45 . MET . 7032 1 46 . THR . 7032 1 47 . PRO . 7032 1 48 . HIS . 7032 1 49 . TRP . 7032 1 50 . HIS . 7032 1 51 . ARG . 7032 1 52 . ARG . 7032 1 53 . ILE . 7032 1 54 . PRO . 7032 1 55 . LEU . 7032 1 56 . TYR . 7032 1 57 . TYR . 7032 1 58 . PRO . 7032 1 59 . ASN . 7032 1 60 . ALA . 7032 1 61 . GLY . 7032 1 62 . LEU . 7032 1 63 . THR . 7032 1 64 . ARG . 7032 1 65 . ASN . 7032 1 66 . TYR . 7032 1 67 . CYS . 7032 1 68 . ARG . 7032 1 69 . ASN . 7032 1 70 . PRO . 7032 1 71 . ASP . 7032 1 72 . ALA . 7032 1 73 . GLU . 7032 1 74 . ILE . 7032 1 75 . ARG . 7032 1 76 . PRO . 7032 1 77 . TRP . 7032 1 78 . CYS . 7032 1 79 . TYR . 7032 1 80 . THR . 7032 1 81 . MET . 7032 1 82 . ASP . 7032 1 83 . PRO . 7032 1 84 . SER . 7032 1 85 . VAL . 7032 1 86 . ARG . 7032 1 87 . TRP . 7032 1 88 . GLU . 7032 1 89 . TYR . 7032 1 90 . CYS . 7032 1 91 . ASN . 7032 1 92 . LEU . 7032 1 93 . THR . 7032 1 94 . ARG . 7032 1 95 . CYS . 7032 1 96 . PRO . 7032 1 97 . VAL . 7032 1 98 . THR . 7032 1 99 . GLU . 7032 1 100 . SER . 7032 1 101 . SER . 7032 1 102 . VAL . 7032 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 . ILE 1 1 7032 1 . GLU 2 2 7032 1 . GLY 3 3 7032 1 . ARG 4 4 7032 1 . HIS 5 5 7032 1 . MET 6 6 7032 1 . ALA 7 7 7032 1 . PRO 8 8 7032 1 . THR 9 9 7032 1 . GLU 10 10 7032 1 . ASN 11 11 7032 1 . SER 12 12 7032 1 . THR 13 13 7032 1 . GLY 14 14 7032 1 . VAL 15 15 7032 1 . GLN 16 16 7032 1 . ASP 17 17 7032 1 . CYS 18 18 7032 1 . TYR 19 19 7032 1 . ARG 20 20 7032 1 . GLY 21 21 7032 1 . ASP 22 22 7032 1 . GLY 23 23 7032 1 . GLN 24 24 7032 1 . SER 25 25 7032 1 . TYR 26 26 7032 1 . ARG 27 27 7032 1 . GLY 28 28 7032 1 . THR 29 29 7032 1 . LEU 30 30 7032 1 . SER 31 31 7032 1 . THR 32 32 7032 1 . THR 33 33 7032 1 . ILE 34 34 7032 1 . THR 35 35 7032 1 . GLY 36 36 7032 1 . ARG 37 37 7032 1 . THR 38 38 7032 1 . CYS 39 39 7032 1 . GLN 40 40 7032 1 . SER 41 41 7032 1 . TRP 42 42 7032 1 . SER 43 43 7032 1 . SER 44 44 7032 1 . MET 45 45 7032 1 . THR 46 46 7032 1 . PRO 47 47 7032 1 . HIS 48 48 7032 1 . TRP 49 49 7032 1 . HIS 50 50 7032 1 . ARG 51 51 7032 1 . ARG 52 52 7032 1 . ILE 53 53 7032 1 . PRO 54 54 7032 1 . LEU 55 55 7032 1 . TYR 56 56 7032 1 . TYR 57 57 7032 1 . PRO 58 58 7032 1 . ASN 59 59 7032 1 . ALA 60 60 7032 1 . GLY 61 61 7032 1 . LEU 62 62 7032 1 . THR 63 63 7032 1 . ARG 64 64 7032 1 . ASN 65 65 7032 1 . TYR 66 66 7032 1 . CYS 67 67 7032 1 . ARG 68 68 7032 1 . ASN 69 69 7032 1 . PRO 70 70 7032 1 . ASP 71 71 7032 1 . ALA 72 72 7032 1 . GLU 73 73 7032 1 . ILE 74 74 7032 1 . ARG 75 75 7032 1 . PRO 76 76 7032 1 . TRP 77 77 7032 1 . CYS 78 78 7032 1 . TYR 79 79 7032 1 . THR 80 80 7032 1 . MET 81 81 7032 1 . ASP 82 82 7032 1 . PRO 83 83 7032 1 . SER 84 84 7032 1 . VAL 85 85 7032 1 . ARG 86 86 7032 1 . TRP 87 87 7032 1 . GLU 88 88 7032 1 . TYR 89 89 7032 1 . CYS 90 90 7032 1 . ASN 91 91 7032 1 . LEU 92 92 7032 1 . THR 93 93 7032 1 . ARG 94 94 7032 1 . CYS 95 95 7032 1 . PRO 96 96 7032 1 . VAL 97 97 7032 1 . THR 98 98 7032 1 . GLU 99 99 7032 1 . SER 100 100 7032 1 . SER 101 101 7032 1 . VAL 102 102 7032 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 7032 _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 $KIV8 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7032 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 7032 _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 $KIV8 . 'recombinant technology' . . . . . . BL21(DE3) . . . . . . . . . . . . pet_16b . . . . . . . . . 7032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7032 _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 KIV8 '[U-13C; U-15N]' . . 1 $KIV8 . protein 1 . . mM . . . . 7032 1 2 Tris . . . . . . . 20 . . mM . . . . 7032 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7032 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM Tris' 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 7.2 0.01 pH 7032 1 temperature 298 0.1 K 7032 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7032 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7032 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7032 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7032 _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 'C13 aromatic NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 2 'C13 NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 3 1H-15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 4 3D-HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 5 3D-CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 6 3D-CCONH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 7 3D-HCCONH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 8 N15-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 9 3D-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 10 N15-TOCSY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 11 3D-HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 12 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7032 1 stop_ save_ save_C13_aromatic_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C13_aromatic_NOESY-HSQC _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'C13 aromatic 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_C13_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C13_NOESY-HSQC _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'C13 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_1H-15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N-HSQC _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_3D-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCACB _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 4 _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_3D-CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-CBCACONH _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-CBCACONH _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_3D-CCONH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-CCONH-TOCSY _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-CCONH-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_3D-HCCONH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HCCONH-TOCSY _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-HCCONH-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_N15-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15-NOESY-HSQC _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name N15-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_3D-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCO _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 9 _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_N15-TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15-TOCSY-HSQC _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name N15-TOCSY-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_3D-HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNHA _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 11 _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_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7032 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7032 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7032 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7032 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7032 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_kiv8_bmrb_submission _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode kiv8_bmrb_submission _Assigned_chem_shift_list.Entry_ID 7032 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7032 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 ILE H H 1 8.01 0.02 . 1 . . . . 1 ILE H . 7032 1 2 . 1 1 1 1 ILE HA H 1 4.06 0.02 . 1 . . . . 1 ILE HA . 7032 1 3 . 1 1 1 1 ILE HB H 1 1.73 0.02 . 1 . . . . 1 ILE HB . 7032 1 4 . 1 1 1 1 ILE HG12 H 1 1.04 0.02 . 1 . . . . 1 ILE HG11 . 7032 1 5 . 1 1 1 1 ILE HG13 H 1 1.35 0.02 . 1 . . . . 1 ILE HG12 . 7032 1 6 . 1 1 1 1 ILE HG21 H 1 0.80 0.02 . 1 . . . . 1 ILE HG2 . 7032 1 7 . 1 1 1 1 ILE HG22 H 1 0.80 0.02 . 1 . . . . 1 ILE HG2 . 7032 1 8 . 1 1 1 1 ILE HG23 H 1 0.80 0.02 . 1 . . . . 1 ILE HG2 . 7032 1 9 . 1 1 1 1 ILE HD11 H 1 0.77 0.02 . 1 . . . . 1 ILE HD1 . 7032 1 10 . 1 1 1 1 ILE HD12 H 1 0.77 0.02 . 1 . . . . 1 ILE HD1 . 7032 1 11 . 1 1 1 1 ILE HD13 H 1 0.77 0.02 . 1 . . . . 1 ILE HD1 . 7032 1 12 . 1 1 1 1 ILE C C 13 176.02 0.30 . 1 . . . . 1 ILE C . 7032 1 13 . 1 1 1 1 ILE CA C 13 60.74 0.30 . 1 . . . . 1 ILE CA . 7032 1 14 . 1 1 1 1 ILE CB C 13 38.87 0.30 . 1 . . . . 1 ILE CB . 7032 1 15 . 1 1 1 1 ILE CG1 C 13 27.23 0.30 . 1 . . . . 1 ILE CG1 . 7032 1 16 . 1 1 1 1 ILE CG2 C 13 17.39 0.30 . 1 . . . . 1 ILE CG2 . 7032 1 17 . 1 1 1 1 ILE CD1 C 13 12.89 0.30 . 1 . . . . 1 ILE CD1 . 7032 1 18 . 1 1 1 1 ILE N N 15 123.32 0.30 . 1 . . . . 1 ILE N . 7032 1 19 . 1 1 2 2 GLU H H 1 8.54 0.02 . 1 . . . . 2 GLU HN . 7032 1 20 . 1 1 2 2 GLU HA H 1 4.19 0.02 . 1 . . . . 2 GLU HA . 7032 1 21 . 1 1 2 2 GLU HB2 H 1 1.92 0.02 . 2 . . . . 2 GLU HB1 . 7032 1 22 . 1 1 2 2 GLU HB3 H 1 2.01 0.02 . 2 . . . . 2 GLU HB2 . 7032 1 23 . 1 1 2 2 GLU HG2 H 1 2.25 0.02 . 1 . . . . 2 GLU HG1 . 7032 1 24 . 1 1 2 2 GLU HG3 H 1 2.25 0.02 . 1 . . . . 2 GLU HG2 . 7032 1 25 . 1 1 2 2 GLU CA C 13 56.98 0.30 . 1 . . . . 2 GLU CA . 7032 1 26 . 1 1 2 2 GLU CB C 13 30.38 0.30 . 1 . . . . 2 GLU CB . 7032 1 27 . 1 1 2 2 GLU CG C 13 36.32 0.30 . 1 . . . . 2 GLU CG . 7032 1 28 . 1 1 2 2 GLU N N 15 125.23 0.30 . 1 . . . . 2 GLU N . 7032 1 29 . 1 1 3 3 GLY HA2 H 1 3.89 0.02 . 1 . . . . 3 GLY HA1 . 7032 1 30 . 1 1 3 3 GLY HA3 H 1 3.89 0.02 . 1 . . . . 3 GLY HA2 . 7032 1 31 . 1 1 3 3 GLY C C 13 174.15 0.30 . 1 . . . . 3 GLY C . 7032 1 32 . 1 1 3 3 GLY CA C 13 45.45 0.30 . 1 . . . . 3 GLY CA . 7032 1 33 . 1 1 4 4 ARG H H 1 8.06 0.02 . 1 . . . . 4 ARG HN . 7032 1 34 . 1 1 4 4 ARG HA H 1 4.27 0.02 . 1 . . . . 4 ARG HA . 7032 1 35 . 1 1 4 4 ARG HB2 H 1 1.67 0.02 . 2 . . . . 4 ARG HB1 . 7032 1 36 . 1 1 4 4 ARG HB3 H 1 1.74 0.02 . 2 . . . . 4 ARG HB2 . 7032 1 37 . 1 1 4 4 ARG HG2 H 1 1.49 0.02 . 1 . . . . 4 ARG HG1 . 7032 1 38 . 1 1 4 4 ARG HG3 H 1 1.49 0.02 . 1 . . . . 4 ARG HG2 . 7032 1 39 . 1 1 4 4 ARG HD2 H 1 3.11 0.02 . 1 . . . . 4 ARG HD1 . 7032 1 40 . 1 1 4 4 ARG HD3 H 1 3.11 0.02 . 1 . . . . 4 ARG HD2 . 7032 1 41 . 1 1 4 4 ARG CA C 13 56.20 0.30 . 1 . . . . 4 ARG CA . 7032 1 42 . 1 1 4 4 ARG CB C 13 30.96 0.30 . 1 . . . . 4 ARG CB . 7032 1 43 . 1 1 4 4 ARG CG C 13 27.02 0.30 . 1 . . . . 4 ARG CG . 7032 1 44 . 1 1 4 4 ARG CD C 13 43.49 0.30 . 1 . . . . 4 ARG CD . 7032 1 45 . 1 1 4 4 ARG N N 15 120.25 0.30 . 1 . . . . 4 ARG N . 7032 1 46 . 1 1 5 5 HIS HA H 1 4.55 0.02 . 1 . . . . 5 HIS HA . 7032 1 47 . 1 1 5 5 HIS HB2 H 1 3.02 0.02 . 1 . . . . 5 HIS HB1 . 7032 1 48 . 1 1 5 5 HIS HB3 H 1 3.02 0.02 . 1 . . . . 5 HIS HB2 . 7032 1 49 . 1 1 5 5 HIS C C 13 175.19 0.30 . 1 . . . . 5 HIS C . 7032 1 50 . 1 1 5 5 HIS CA C 13 56.31 0.30 . 1 . . . . 5 HIS CA . 7032 1 51 . 1 1 5 5 HIS CB C 13 30.85 0.30 . 1 . . . . 5 HIS CB . 7032 1 52 . 1 1 6 6 MET H H 1 8.16 0.02 . 1 . . . . 6 MET HN . 7032 1 53 . 1 1 6 6 MET HA H 1 4.42 0.02 . 1 . . . . 6 MET HA . 7032 1 54 . 1 1 6 6 MET HB2 H 1 2.38 0.02 . 2 . . . . 6 MET HB1 . 7032 1 55 . 1 1 6 6 MET HB3 H 1 2.47 0.02 . 2 . . . . 6 MET HB2 . 7032 1 56 . 1 1 6 6 MET HG2 H 1 1.88 0.02 . 2 . . . . 6 MET HG1 . 7032 1 57 . 1 1 6 6 MET HG3 H 1 1.99 0.02 . 2 . . . . 6 MET HG2 . 7032 1 58 . 1 1 6 6 MET C C 13 175.26 0.30 . 1 . . . . 6 MET C . 7032 1 59 . 1 1 6 6 MET CA C 13 55.02 0.30 . 1 . . . . 6 MET CA . 7032 1 60 . 1 1 6 6 MET CB C 13 31.90 0.30 . 1 . . . . 6 MET CB . 7032 1 61 . 1 1 6 6 MET CG C 13 33.27 0.30 . 1 . . . . 6 MET CG . 7032 1 62 . 1 1 6 6 MET N N 15 121.99 0.30 . 1 . . . . 6 MET N . 7032 1 63 . 1 1 7 7 ALA H H 1 8.28 0.02 . 1 . . . . 7 ALA HN . 7032 1 64 . 1 1 7 7 ALA HA H 1 4.53 0.02 . 1 . . . . 7 ALA HA . 7032 1 65 . 1 1 7 7 ALA HB1 H 1 1.34 0.02 . 1 . . . . 7 ALA HB . 7032 1 66 . 1 1 7 7 ALA HB2 H 1 1.34 0.02 . 1 . . . . 7 ALA HB . 7032 1 67 . 1 1 7 7 ALA HB3 H 1 1.34 0.02 . 1 . . . . 7 ALA HB . 7032 1 68 . 1 1 7 7 ALA CA C 13 50.59 0.30 . 1 . . . . 7 ALA CA . 7032 1 69 . 1 1 7 7 ALA CB C 13 18.36 0.30 . 1 . . . . 7 ALA CB . 7032 1 70 . 1 1 7 7 ALA N N 15 126.66 0.30 . 1 . . . . 7 ALA N . 7032 1 71 . 1 1 8 8 PRO HA H 1 4.44 0.02 . 1 . . . . 8 PRO HA . 7032 1 72 . 1 1 8 8 PRO HB2 H 1 1.92 0.02 . 2 . . . . 8 PRO HB1 . 7032 1 73 . 1 1 8 8 PRO HB3 H 1 2.29 0.02 . 2 . . . . 8 PRO HB2 . 7032 1 74 . 1 1 8 8 PRO HG2 H 1 2.01 0.02 . 1 . . . . 8 PRO HG1 . 7032 1 75 . 1 1 8 8 PRO HG3 H 1 2.01 0.02 . 1 . . . . 8 PRO HG2 . 7032 1 76 . 1 1 8 8 PRO HD2 H 1 3.65 0.02 . 2 . . . . 8 PRO HD1 . 7032 1 77 . 1 1 8 8 PRO HD3 H 1 3.77 0.02 . 2 . . . . 8 PRO HD2 . 7032 1 78 . 1 1 8 8 PRO C C 13 177.15 0.30 . 1 . . . . 8 PRO C . 7032 1 79 . 1 1 8 8 PRO CA C 13 62.62 0.30 . 1 . . . . 8 PRO CA . 7032 1 80 . 1 1 8 8 PRO CB C 13 32.13 0.30 . 1 . . . . 8 PRO CB . 7032 1 81 . 1 1 8 8 PRO CG C 13 27.43 0.30 . 1 . . . . 8 PRO CG . 7032 1 82 . 1 1 8 8 PRO CD C 13 50.66 0.30 . 1 . . . . 8 PRO CD . 7032 1 83 . 1 1 9 9 THR H H 1 8.18 0.02 . 1 . . . . 9 THR HN . 7032 1 84 . 1 1 9 9 THR HA H 1 4.30 0.02 . 1 . . . . 9 THR HA . 7032 1 85 . 1 1 9 9 THR HB H 1 4.21 0.02 . 1 . . . . 9 THR HB . 7032 1 86 . 1 1 9 9 THR HG21 H 1 1.18 0.02 . 1 . . . . 9 THR HG2 . 7032 1 87 . 1 1 9 9 THR HG22 H 1 1.18 0.02 . 1 . . . . 9 THR HG2 . 7032 1 88 . 1 1 9 9 THR HG23 H 1 1.18 0.02 . 1 . . . . 9 THR HG2 . 7032 1 89 . 1 1 9 9 THR C C 13 174.57 0.30 . 1 . . . . 9 THR C . 7032 1 90 . 1 1 9 9 THR CA C 13 61.56 0.30 . 1 . . . . 9 THR CA . 7032 1 91 . 1 1 9 9 THR CB C 13 69.57 0.30 . 1 . . . . 9 THR CB . 7032 1 92 . 1 1 9 9 THR CG2 C 13 21.62 0.30 . 1 . . . . 9 THR CG2 . 7032 1 93 . 1 1 9 9 THR N N 15 113.74 0.30 . 1 . . . . 9 THR N . 7032 1 94 . 1 1 10 10 GLU H H 1 8.34 0.02 . 1 . . . . 10 GLU HN . 7032 1 95 . 1 1 10 10 GLU HA H 1 4.31 0.02 . 1 . . . . 10 GLU HA . 7032 1 96 . 1 1 10 10 GLU HB2 H 1 1.91 0.02 . 2 . . . . 10 GLU HB1 . 7032 1 97 . 1 1 10 10 GLU HB3 H 1 2.06 0.02 . 2 . . . . 10 GLU HB2 . 7032 1 98 . 1 1 10 10 GLU HG2 H 1 2.24 0.02 . 1 . . . . 10 GLU HG1 . 7032 1 99 . 1 1 10 10 GLU HG3 H 1 2.24 0.02 . 1 . . . . 10 GLU HG2 . 7032 1 100 . 1 1 10 10 GLU C C 13 175.23 0.30 . 1 . . . . 10 GLU C . 7032 1 101 . 1 1 10 10 GLU CA C 13 56.51 0.30 . 1 . . . . 10 GLU CA . 7032 1 102 . 1 1 10 10 GLU CB C 13 30.62 0.30 . 1 . . . . 10 GLU CB . 7032 1 103 . 1 1 10 10 GLU CG C 13 36.36 0.30 . 1 . . . . 10 GLU CG . 7032 1 104 . 1 1 10 10 GLU N N 15 123.09 0.30 . 1 . . . . 10 GLU N . 7032 1 105 . 1 1 11 11 ASN H H 1 8.10 0.02 . 1 . . . . 11 ASN HN . 7032 1 106 . 1 1 11 11 ASN HA H 1 4.48 0.02 . 1 . . . . 11 ASN HA . 7032 1 107 . 1 1 11 11 ASN HB2 H 1 2.68 0.02 . 2 . . . . 11 ASN HB1 . 7032 1 108 . 1 1 11 11 ASN HB3 H 1 2.78 0.02 . 2 . . . . 11 ASN HB2 . 7032 1 109 . 1 1 11 11 ASN HD21 H 1 6.90 0.02 . 2 . . . . 11 ASN HD21 . 7032 1 110 . 1 1 11 11 ASN HD22 H 1 7.59 0.02 . 2 . . . . 11 ASN HD22 . 7032 1 111 . 1 1 11 11 ASN C C 13 176.22 0.30 . 1 . . . . 11 ASN C . 7032 1 112 . 1 1 11 11 ASN CA C 13 54.89 0.30 . 1 . . . . 11 ASN CA . 7032 1 113 . 1 1 11 11 ASN CB C 13 40.95 0.30 . 1 . . . . 11 ASN CB . 7032 1 114 . 1 1 11 11 ASN N N 15 124.91 0.30 . 1 . . . . 11 ASN N . 7032 1 115 . 1 1 11 11 ASN ND2 N 15 112.94 0.30 . 1 . . . . 11 ASN ND2 . 7032 1 116 . 1 1 12 12 SER H H 1 8.44 0.02 . 1 . . . . 12 SER HN . 7032 1 117 . 1 1 12 12 SER HA H 1 4.49 0.02 . 1 . . . . 12 SER HA . 7032 1 118 . 1 1 12 12 SER HB2 H 1 3.86 0.02 . 1 . . . . 12 SER HB1 . 7032 1 119 . 1 1 12 12 SER HB3 H 1 3.86 0.02 . 1 . . . . 12 SER HB2 . 7032 1 120 . 1 1 12 12 SER C C 13 175.06 0.30 . 1 . . . . 12 SER C . 7032 1 121 . 1 1 12 12 SER CA C 13 58.66 0.30 . 1 . . . . 12 SER CA . 7032 1 122 . 1 1 12 12 SER CB C 13 63.92 0.30 . 1 . . . . 12 SER CB . 7032 1 123 . 1 1 12 12 SER N N 15 121.98 0.30 . 1 . . . . 12 SER N . 7032 1 124 . 1 1 13 13 THR H H 1 8.22 0.02 . 1 . . . . 13 THR HN . 7032 1 125 . 1 1 13 13 THR HA H 1 4.33 0.02 . 1 . . . . 13 THR HA . 7032 1 126 . 1 1 13 13 THR HB H 1 4.26 0.02 . 1 . . . . 13 THR HB . 7032 1 127 . 1 1 13 13 THR HG21 H 1 1.18 0.02 . 1 . . . . 13 THR HG2 . 7032 1 128 . 1 1 13 13 THR HG22 H 1 1.18 0.02 . 1 . . . . 13 THR HG2 . 7032 1 129 . 1 1 13 13 THR HG23 H 1 1.18 0.02 . 1 . . . . 13 THR HG2 . 7032 1 130 . 1 1 13 13 THR C C 13 175.36 0.30 . 1 . . . . 13 THR C . 7032 1 131 . 1 1 13 13 THR CA C 13 62.30 0.30 . 1 . . . . 13 THR CA . 7032 1 132 . 1 1 13 13 THR CB C 13 69.91 0.30 . 1 . . . . 13 THR CB . 7032 1 133 . 1 1 13 13 THR CG2 C 13 21.52 0.30 . 1 . . . . 13 THR CG2 . 7032 1 134 . 1 1 13 13 THR N N 15 114.96 0.30 . 1 . . . . 13 THR N . 7032 1 135 . 1 1 14 14 GLY H H 1 8.34 0.02 . 1 . . . . 14 GLY HN . 7032 1 136 . 1 1 14 14 GLY HA2 H 1 3.96 0.02 . 1 . . . . 14 GLY HA1 . 7032 1 137 . 1 1 14 14 GLY HA3 H 1 3.96 0.02 . 1 . . . . 14 GLY HA2 . 7032 1 138 . 1 1 14 14 GLY C C 13 174.13 0.30 . 1 . . . . 14 GLY C . 7032 1 139 . 1 1 14 14 GLY CA C 13 45.33 0.30 . 1 . . . . 14 GLY CA . 7032 1 140 . 1 1 14 14 GLY N N 15 111.07 0.30 . 1 . . . . 14 GLY N . 7032 1 141 . 1 1 15 15 VAL H H 1 7.96 0.02 . 1 . . . . 15 VAL HN . 7032 1 142 . 1 1 15 15 VAL HA H 1 4.08 0.02 . 1 . . . . 15 VAL HA . 7032 1 143 . 1 1 15 15 VAL HB H 1 2.05 0.02 . 1 . . . . 15 VAL HB . 7032 1 144 . 1 1 15 15 VAL HG11 H 1 0.90 0.02 . 2 . . . . 15 VAL HG1 . 7032 1 145 . 1 1 15 15 VAL HG12 H 1 0.90 0.02 . 2 . . . . 15 VAL HG1 . 7032 1 146 . 1 1 15 15 VAL HG13 H 1 0.90 0.02 . 2 . . . . 15 VAL HG1 . 7032 1 147 . 1 1 15 15 VAL HG21 H 1 0.90 0.02 . 2 . . . . 15 VAL HG2 . 7032 1 148 . 1 1 15 15 VAL HG22 H 1 0.90 0.02 . 2 . . . . 15 VAL HG2 . 7032 1 149 . 1 1 15 15 VAL HG23 H 1 0.90 0.02 . 2 . . . . 15 VAL HG2 . 7032 1 150 . 1 1 15 15 VAL C C 13 176.96 0.30 . 1 . . . . 15 VAL C . 7032 1 151 . 1 1 15 15 VAL CA C 13 62.09 0.30 . 1 . . . . 15 VAL CA . 7032 1 152 . 1 1 15 15 VAL CB C 13 32.76 0.30 . 1 . . . . 15 VAL CB . 7032 1 153 . 1 1 15 15 VAL CG1 C 13 20.87 0.30 . 1 . . . . 15 VAL CG1 . 7032 1 154 . 1 1 15 15 VAL CG2 C 13 20.87 0.30 . 1 . . . . 15 VAL CG2 . 7032 1 155 . 1 1 15 15 VAL N N 15 119.42 0.30 . 1 . . . . 15 VAL N . 7032 1 156 . 1 1 16 16 GLN H H 1 8.45 0.02 . 1 . . . . 16 GLN HN . 7032 1 157 . 1 1 16 16 GLN HA H 1 4.39 0.02 . 1 . . . . 16 GLN HA . 7032 1 158 . 1 1 16 16 GLN HB2 H 1 1.96 0.02 . 2 . . . . 16 GLN HB1 . 7032 1 159 . 1 1 16 16 GLN HB3 H 1 2.11 0.02 . 2 . . . . 16 GLN HB2 . 7032 1 160 . 1 1 16 16 GLN HG2 H 1 2.35 0.02 . 1 . . . . 16 GLN HG1 . 7032 1 161 . 1 1 16 16 GLN HG3 H 1 2.35 0.02 . 1 . . . . 16 GLN HG2 . 7032 1 162 . 1 1 16 16 GLN HE21 H 1 6.80 0.02 . 2 . . . . 16 GLN HE21 . 7032 1 163 . 1 1 16 16 GLN HE22 H 1 7.47 0.02 . 2 . . . . 16 GLN HE22 . 7032 1 164 . 1 1 16 16 GLN C C 13 175.45 0.30 . 1 . . . . 16 GLN C . 7032 1 165 . 1 1 16 16 GLN CA C 13 55.74 0.30 . 1 . . . . 16 GLN CA . 7032 1 166 . 1 1 16 16 GLN CB C 13 29.66 0.30 . 1 . . . . 16 GLN CB . 7032 1 167 . 1 1 16 16 GLN CG C 13 33.64 0.30 . 1 . . . . 16 GLN CG . 7032 1 168 . 1 1 16 16 GLN N N 15 123.96 0.30 . 1 . . . . 16 GLN N . 7032 1 169 . 1 1 16 16 GLN NE2 N 15 112.46 0.30 . 1 . . . . 16 GLN NE2 . 7032 1 170 . 1 1 17 17 ASP H H 1 8.46 0.02 . 1 . . . . 17 ASP HN . 7032 1 171 . 1 1 17 17 ASP HA H 1 4.86 0.02 . 1 . . . . 17 ASP HA . 7032 1 172 . 1 1 17 17 ASP HB2 H 1 2.67 0.02 . 2 . . . . 17 ASP HB1 . 7032 1 173 . 1 1 17 17 ASP HB3 H 1 2.73 0.02 . 2 . . . . 17 ASP HB2 . 7032 1 174 . 1 1 17 17 ASP C C 13 174.42 0.30 . 1 . . . . 17 ASP C . 7032 1 175 . 1 1 17 17 ASP CA C 13 54.20 0.30 . 1 . . . . 17 ASP CA . 7032 1 176 . 1 1 17 17 ASP CB C 13 41.58 0.30 . 1 . . . . 17 ASP CB . 7032 1 177 . 1 1 17 17 ASP N N 15 123.15 0.30 . 1 . . . . 17 ASP N . 7032 1 178 . 1 1 18 18 CYS H H 1 8.26 0.02 . 1 . . . . 18 CYS HN . 7032 1 179 . 1 1 18 18 CYS HA H 1 5.24 0.02 . 1 . . . . 18 CYS HA . 7032 1 180 . 1 1 18 18 CYS HB2 H 1 3.08 0.02 . 1 . . . . 18 CYS HB1 . 7032 1 181 . 1 1 18 18 CYS HB3 H 1 3.08 0.02 . 1 . . . . 18 CYS HB2 . 7032 1 182 . 1 1 18 18 CYS C C 13 171.81 0.30 . 1 . . . . 18 CYS C . 7032 1 183 . 1 1 18 18 CYS CA C 13 54.40 0.30 . 1 . . . . 18 CYS CA . 7032 1 184 . 1 1 18 18 CYS CB C 13 44.18 0.30 . 1 . . . . 18 CYS CB . 7032 1 185 . 1 1 18 18 CYS N N 15 116.27 0.30 . 1 . . . . 18 CYS N . 7032 1 186 . 1 1 19 19 TYR H H 1 8.39 0.02 . 1 . . . . 19 TYR HN . 7032 1 187 . 1 1 19 19 TYR HA H 1 5.35 0.02 . 1 . . . . 19 TYR HA . 7032 1 188 . 1 1 19 19 TYR HB2 H 1 2.47 0.02 . 2 . . . . 19 TYR HB1 . 7032 1 189 . 1 1 19 19 TYR HB3 H 1 3.12 0.02 . 2 . . . . 19 TYR HB2 . 7032 1 190 . 1 1 19 19 TYR HD1 H 1 6.53 0.02 . 3 . . . . 19 TYR HD1 . 7032 1 191 . 1 1 19 19 TYR HE1 H 1 6.75 0.02 . 3 . . . . 19 TYR HE1 . 7032 1 192 . 1 1 19 19 TYR C C 13 172.21 0.30 . 1 . . . . 19 TYR C . 7032 1 193 . 1 1 19 19 TYR CA C 13 54.63 0.30 . 1 . . . . 19 TYR CA . 7032 1 194 . 1 1 19 19 TYR CB C 13 41.80 0.30 . 1 . . . . 19 TYR CB . 7032 1 195 . 1 1 19 19 TYR CD1 C 13 133.45 0.30 . 3 . . . . 19 TYR CD1 . 7032 1 196 . 1 1 19 19 TYR CE1 C 13 118.20 0.30 . 3 . . . . 19 TYR CE1 . 7032 1 197 . 1 1 19 19 TYR N N 15 116.38 0.30 . 1 . . . . 19 TYR N . 7032 1 198 . 1 1 20 20 ARG H H 1 9.54 0.02 . 1 . . . . 20 ARG HN . 7032 1 199 . 1 1 20 20 ARG HA H 1 4.68 0.02 . 1 . . . . 20 ARG HA . 7032 1 200 . 1 1 20 20 ARG HB2 H 1 1.64 0.02 . 2 . . . . 20 ARG HB1 . 7032 1 201 . 1 1 20 20 ARG HB3 H 1 1.78 0.02 . 2 . . . . 20 ARG HB2 . 7032 1 202 . 1 1 20 20 ARG HG2 H 1 1.49 0.02 . 2 . . . . 20 ARG HG1 . 7032 1 203 . 1 1 20 20 ARG HG3 H 1 1.61 0.02 . 2 . . . . 20 ARG HG2 . 7032 1 204 . 1 1 20 20 ARG HD2 H 1 3.16 0.02 . 1 . . . . 20 ARG HD1 . 7032 1 205 . 1 1 20 20 ARG HD3 H 1 3.16 0.02 . 1 . . . . 20 ARG HD2 . 7032 1 206 . 1 1 20 20 ARG CA C 13 54.36 0.30 . 1 . . . . 20 ARG CA . 7032 1 207 . 1 1 20 20 ARG CB C 13 32.26 0.30 . 1 . . . . 20 ARG CB . 7032 1 208 . 1 1 20 20 ARG CG C 13 28.28 0.30 . 1 . . . . 20 ARG CG . 7032 1 209 . 1 1 20 20 ARG CD C 13 43.20 0.30 . 1 . . . . 20 ARG CD . 7032 1 210 . 1 1 20 20 ARG N N 15 123.31 0.30 . 1 . . . . 20 ARG N . 7032 1 211 . 1 1 21 21 GLY H H 1 10.14 0.02 . 1 . . . . 21 GLY HN . 7032 1 212 . 1 1 21 21 GLY HA2 H 1 3.77 0.02 . 2 . . . . 21 GLY HA1 . 7032 1 213 . 1 1 21 21 GLY HA3 H 1 4.11 0.02 . 2 . . . . 21 GLY HA2 . 7032 1 214 . 1 1 21 21 GLY C C 13 174.44 0.30 . 1 . . . . 21 GLY C . 7032 1 215 . 1 1 21 21 GLY CA C 13 47.68 0.30 . 1 . . . . 21 GLY CA . 7032 1 216 . 1 1 21 21 GLY N N 15 110.84 0.30 . 1 . . . . 21 GLY N . 7032 1 217 . 1 1 22 22 ASP H H 1 8.30 0.02 . 1 . . . . 22 ASP HN . 7032 1 218 . 1 1 22 22 ASP HA H 1 4.81 0.02 . 1 . . . . 22 ASP HA . 7032 1 219 . 1 1 22 22 ASP HB2 H 1 2.59 0.02 . 2 . . . . 22 ASP HB1 . 7032 1 220 . 1 1 22 22 ASP HB3 H 1 3.30 0.02 . 2 . . . . 22 ASP HB2 . 7032 1 221 . 1 1 22 22 ASP C C 13 178.21 0.30 . 1 . . . . 22 ASP C . 7032 1 222 . 1 1 22 22 ASP CA C 13 52.75 0.30 . 1 . . . . 22 ASP CA . 7032 1 223 . 1 1 22 22 ASP CB C 13 40.03 0.30 . 1 . . . . 22 ASP CB . 7032 1 224 . 1 1 22 22 ASP N N 15 125.84 0.30 . 1 . . . . 22 ASP N . 7032 1 225 . 1 1 23 23 GLY H H 1 9.20 0.02 . 1 . . . . 23 GLY HN . 7032 1 226 . 1 1 23 23 GLY HA2 H 1 3.73 0.02 . 2 . . . . 23 GLY HA1 . 7032 1 227 . 1 1 23 23 GLY HA3 H 1 4.09 0.02 . 2 . . . . 23 GLY HA2 . 7032 1 228 . 1 1 23 23 GLY C C 13 176.87 0.30 . 1 . . . . 23 GLY C . 7032 1 229 . 1 1 23 23 GLY CA C 13 47.10 0.30 . 1 . . . . 23 GLY CA . 7032 1 230 . 1 1 23 23 GLY N N 15 105.77 0.30 . 1 . . . . 23 GLY N . 7032 1 231 . 1 1 24 24 GLN H H 1 8.95 0.02 . 1 . . . . 24 GLN HN . 7032 1 232 . 1 1 24 24 GLN HA H 1 4.20 0.02 . 1 . . . . 24 GLN HA . 7032 1 233 . 1 1 24 24 GLN HB2 H 1 2.19 0.02 . 2 . . . . 24 GLN HB1 . 7032 1 234 . 1 1 24 24 GLN HB3 H 1 2.31 0.02 . 2 . . . . 24 GLN HB2 . 7032 1 235 . 1 1 24 24 GLN HG2 H 1 2.63 0.02 . 2 . . . . 24 GLN HG1 . 7032 1 236 . 1 1 24 24 GLN HG3 H 1 2.71 0.02 . 2 . . . . 24 GLN HG2 . 7032 1 237 . 1 1 24 24 GLN HE21 H 1 6.99 0.02 . 2 . . . . 24 GLN HE21 . 7032 1 238 . 1 1 24 24 GLN HE22 H 1 8.86 0.02 . 2 . . . . 24 GLN HE22 . 7032 1 239 . 1 1 24 24 GLN CA C 13 61.02 0.30 . 1 . . . . 24 GLN CA . 7032 1 240 . 1 1 24 24 GLN CB C 13 26.39 0.30 . 1 . . . . 24 GLN CB . 7032 1 241 . 1 1 24 24 GLN CG C 13 35.23 0.30 . 1 . . . . 24 GLN CG . 7032 1 242 . 1 1 24 24 GLN N N 15 123.85 0.30 . 1 . . . . 24 GLN N . 7032 1 243 . 1 1 24 24 GLN NE2 N 15 115.53 0.30 . 1 . . . . 24 GLN NE2 . 7032 1 244 . 1 1 25 25 SER HA H 1 4.39 0.02 . 1 . . . . 25 SER HA . 7032 1 245 . 1 1 25 25 SER HB2 H 1 3.91 0.02 . 2 . . . . 25 SER HB1 . 7032 1 246 . 1 1 25 25 SER HB3 H 1 4.16 0.02 . 2 . . . . 25 SER HB2 . 7032 1 247 . 1 1 25 25 SER C C 13 174.55 0.30 . 1 . . . . 25 SER C . 7032 1 248 . 1 1 25 25 SER CA C 13 58.10 0.30 . 1 . . . . 25 SER CA . 7032 1 249 . 1 1 25 25 SER CB C 13 63.95 0.30 . 1 . . . . 25 SER CB . 7032 1 250 . 1 1 26 26 TYR H H 1 7.59 0.02 . 1 . . . . 26 TYR HN . 7032 1 251 . 1 1 26 26 TYR HA H 1 4.43 0.02 . 1 . . . . 26 TYR HA . 7032 1 252 . 1 1 26 26 TYR HB2 H 1 3.07 0.02 . 2 . . . . 26 TYR HB1 . 7032 1 253 . 1 1 26 26 TYR HB3 H 1 3.23 0.02 . 2 . . . . 26 TYR HB2 . 7032 1 254 . 1 1 26 26 TYR HD1 H 1 7.44 0.02 . 3 . . . . 26 TYR HD1 . 7032 1 255 . 1 1 26 26 TYR HE1 H 1 7.14 0.02 . 3 . . . . 26 TYR HE1 . 7032 1 256 . 1 1 26 26 TYR CA C 13 59.96 0.30 . 1 . . . . 26 TYR CA . 7032 1 257 . 1 1 26 26 TYR CB C 13 38.42 0.30 . 1 . . . . 26 TYR CB . 7032 1 258 . 1 1 26 26 TYR N N 15 124.27 0.30 . 1 . . . . 26 TYR N . 7032 1 259 . 1 1 27 27 ARG HA H 1 4.32 0.02 . 1 . . . . 27 ARG HA . 7032 1 260 . 1 1 27 27 ARG HB2 H 1 1.46 0.02 . 2 . . . . 27 ARG HB1 . 7032 1 261 . 1 1 27 27 ARG HB3 H 1 1.64 0.02 . 2 . . . . 27 ARG HB2 . 7032 1 262 . 1 1 27 27 ARG HG2 H 1 2.05 0.02 . 1 . . . . 27 ARG HG1 . 7032 1 263 . 1 1 27 27 ARG HG3 H 1 2.05 0.02 . 1 . . . . 27 ARG HG2 . 7032 1 264 . 1 1 27 27 ARG HD2 H 1 3.11 0.02 . 2 . . . . 27 ARG HD1 . 7032 1 265 . 1 1 27 27 ARG HD3 H 1 3.27 0.02 . 2 . . . . 27 ARG HD2 . 7032 1 266 . 1 1 27 27 ARG C C 13 176.96 0.30 . 1 . . . . 27 ARG C . 7032 1 267 . 1 1 27 27 ARG CA C 13 52.77 0.30 . 1 . . . . 27 ARG CA . 7032 1 268 . 1 1 27 27 ARG CB C 13 30.72 0.30 . 1 . . . . 27 ARG CB . 7032 1 269 . 1 1 27 27 ARG CD C 13 42.14 0.30 . 1 . . . . 27 ARG CD . 7032 1 270 . 1 1 28 28 GLY H H 1 8.42 0.02 . 1 . . . . 28 GLY HN . 7032 1 271 . 1 1 28 28 GLY HA2 H 1 3.75 0.02 . 2 . . . . 28 GLY HA1 . 7032 1 272 . 1 1 28 28 GLY HA3 H 1 4.20 0.02 . 2 . . . . 28 GLY HA2 . 7032 1 273 . 1 1 28 28 GLY C C 13 174.41 0.30 . 1 . . . . 28 GLY C . 7032 1 274 . 1 1 28 28 GLY CA C 13 45.08 0.30 . 1 . . . . 28 GLY CA . 7032 1 275 . 1 1 28 28 GLY N N 15 110.25 0.30 . 1 . . . . 28 GLY N . 7032 1 276 . 1 1 29 29 THR H H 1 8.42 0.02 . 1 . . . . 29 THR HN . 7032 1 277 . 1 1 29 29 THR HA H 1 3.30 0.02 . 1 . . . . 29 THR HA . 7032 1 278 . 1 1 29 29 THR HB H 1 4.20 0.02 . 1 . . . . 29 THR HB . 7032 1 279 . 1 1 29 29 THR HG21 H 1 0.69 0.02 . 1 . . . . 29 THR HG2 . 7032 1 280 . 1 1 29 29 THR HG22 H 1 0.69 0.02 . 1 . . . . 29 THR HG2 . 7032 1 281 . 1 1 29 29 THR HG23 H 1 0.69 0.02 . 1 . . . . 29 THR HG2 . 7032 1 282 . 1 1 29 29 THR C C 13 173.83 0.30 . 1 . . . . 29 THR C . 7032 1 283 . 1 1 29 29 THR CA C 13 59.97 0.30 . 1 . . . . 29 THR CA . 7032 1 284 . 1 1 29 29 THR CB C 13 68.07 0.30 . 1 . . . . 29 THR CB . 7032 1 285 . 1 1 29 29 THR CG2 C 13 20.84 0.30 . 1 . . . . 29 THR CG2 . 7032 1 286 . 1 1 29 29 THR N N 15 106.23 0.30 . 1 . . . . 29 THR N . 7032 1 287 . 1 1 30 30 LEU H H 1 7.46 0.02 . 1 . . . . 30 LEU HN . 7032 1 288 . 1 1 30 30 LEU HA H 1 4.26 0.02 . 1 . . . . 30 LEU HA . 7032 1 289 . 1 1 30 30 LEU HB2 H 1 1.83 0.02 . 1 . . . . 30 LEU HB1 . 7032 1 290 . 1 1 30 30 LEU HB3 H 1 1.83 0.02 . 1 . . . . 30 LEU HB2 . 7032 1 291 . 1 1 30 30 LEU HG H 1 1.99 0.02 . 1 . . . . 30 LEU HG . 7032 1 292 . 1 1 30 30 LEU HD11 H 1 1.14 0.02 . 2 . . . . 30 LEU HD1 . 7032 1 293 . 1 1 30 30 LEU HD12 H 1 1.14 0.02 . 2 . . . . 30 LEU HD1 . 7032 1 294 . 1 1 30 30 LEU HD13 H 1 1.14 0.02 . 2 . . . . 30 LEU HD1 . 7032 1 295 . 1 1 30 30 LEU HD21 H 1 0.98 0.02 . 2 . . . . 30 LEU HD2 . 7032 1 296 . 1 1 30 30 LEU HD22 H 1 0.98 0.02 . 2 . . . . 30 LEU HD2 . 7032 1 297 . 1 1 30 30 LEU HD23 H 1 0.98 0.02 . 2 . . . . 30 LEU HD2 . 7032 1 298 . 1 1 30 30 LEU C C 13 177.81 0.30 . 1 . . . . 30 LEU C . 7032 1 299 . 1 1 30 30 LEU CA C 13 57.01 0.30 . 1 . . . . 30 LEU CA . 7032 1 300 . 1 1 30 30 LEU CB C 13 42.14 0.30 . 1 . . . . 30 LEU CB . 7032 1 301 . 1 1 30 30 LEU CG C 13 27.77 0.30 . 1 . . . . 30 LEU CG . 7032 1 302 . 1 1 30 30 LEU CD1 C 13 23.95 0.30 . 1 . . . . 30 LEU CD1 . 7032 1 303 . 1 1 30 30 LEU CD2 C 13 22.76 0.30 . 1 . . . . 30 LEU CD2 . 7032 1 304 . 1 1 30 30 LEU N N 15 125.13 0.30 . 1 . . . . 30 LEU N . 7032 1 305 . 1 1 31 31 SER H H 1 8.81 0.02 . 1 . . . . 31 SER HN . 7032 1 306 . 1 1 31 31 SER HA H 1 5.15 0.02 . 1 . . . . 31 SER HA . 7032 1 307 . 1 1 31 31 SER HB2 H 1 3.59 0.02 . 2 . . . . 31 SER HB1 . 7032 1 308 . 1 1 31 31 SER HB3 H 1 4.36 0.02 . 2 . . . . 31 SER HB2 . 7032 1 309 . 1 1 31 31 SER C C 13 173.55 0.30 . 1 . . . . 31 SER C . 7032 1 310 . 1 1 31 31 SER CA C 13 58.08 0.30 . 1 . . . . 31 SER CA . 7032 1 311 . 1 1 31 31 SER CB C 13 64.21 0.30 . 1 . . . . 31 SER CB . 7032 1 312 . 1 1 31 31 SER N N 15 118.55 0.30 . 1 . . . . 31 SER N . 7032 1 313 . 1 1 32 32 THR H H 1 7.03 0.02 . 1 . . . . 32 THR HN . 7032 1 314 . 1 1 32 32 THR HA H 1 5.41 0.02 . 1 . . . . 32 THR HA . 7032 1 315 . 1 1 32 32 THR HB H 1 3.88 0.02 . 1 . . . . 32 THR HB . 7032 1 316 . 1 1 32 32 THR HG1 H 1 7.09 0.02 . 1 . . . . 32 THR HG1 . 7032 1 317 . 1 1 32 32 THR HG21 H 1 1.29 0.02 . 1 . . . . 32 THR HG2 . 7032 1 318 . 1 1 32 32 THR HG22 H 1 1.29 0.02 . 1 . . . . 32 THR HG2 . 7032 1 319 . 1 1 32 32 THR HG23 H 1 1.29 0.02 . 1 . . . . 32 THR HG2 . 7032 1 320 . 1 1 32 32 THR C C 13 174.59 0.30 . 1 . . . . 32 THR C . 7032 1 321 . 1 1 32 32 THR CA C 13 59.72 0.30 . 1 . . . . 32 THR CA . 7032 1 322 . 1 1 32 32 THR CB C 13 72.18 0.30 . 1 . . . . 32 THR CB . 7032 1 323 . 1 1 32 32 THR CG2 C 13 22.20 0.30 . 1 . . . . 32 THR CG2 . 7032 1 324 . 1 1 32 32 THR N N 15 113.94 0.30 . 1 . . . . 32 THR N . 7032 1 325 . 1 1 33 33 THR H H 1 9.15 0.02 . 1 . . . . 33 THR HN . 7032 1 326 . 1 1 33 33 THR HA H 1 4.64 0.02 . 1 . . . . 33 THR HA . 7032 1 327 . 1 1 33 33 THR HB H 1 4.43 0.02 . 1 . . . . 33 THR HB . 7032 1 328 . 1 1 33 33 THR HG1 H 1 6.37 0.02 . 1 . . . . 33 THR HG1 . 7032 1 329 . 1 1 33 33 THR HG21 H 1 1.10 0.02 . 1 . . . . 33 THR HG2 . 7032 1 330 . 1 1 33 33 THR HG22 H 1 1.10 0.02 . 1 . . . . 33 THR HG2 . 7032 1 331 . 1 1 33 33 THR HG23 H 1 1.10 0.02 . 1 . . . . 33 THR HG2 . 7032 1 332 . 1 1 33 33 THR C C 13 178.06 0.30 . 1 . . . . 33 THR C . 7032 1 333 . 1 1 33 33 THR CA C 13 60.76 0.30 . 1 . . . . 33 THR CA . 7032 1 334 . 1 1 33 33 THR CB C 13 71.66 0.30 . 1 . . . . 33 THR CB . 7032 1 335 . 1 1 33 33 THR CG2 C 13 21.93 0.30 . 1 . . . . 33 THR CG2 . 7032 1 336 . 1 1 33 33 THR N N 15 114.30 0.30 . 1 . . . . 33 THR N . 7032 1 337 . 1 1 34 34 ILE H H 1 8.49 0.02 . 1 . . . . 34 ILE HN . 7032 1 338 . 1 1 34 34 ILE HA H 1 3.94 0.02 . 1 . . . . 34 ILE HA . 7032 1 339 . 1 1 34 34 ILE HB H 1 1.78 0.02 . 1 . . . . 34 ILE HB . 7032 1 340 . 1 1 34 34 ILE HG12 H 1 1.29 0.02 . 1 . . . . 34 ILE HG11 . 7032 1 341 . 1 1 34 34 ILE HG13 H 1 1.44 0.02 . 1 . . . . 34 ILE HG12 . 7032 1 342 . 1 1 34 34 ILE HG21 H 1 0.95 0.02 . 1 . . . . 34 ILE HG2 . 7032 1 343 . 1 1 34 34 ILE HG22 H 1 0.95 0.02 . 1 . . . . 34 ILE HG2 . 7032 1 344 . 1 1 34 34 ILE HG23 H 1 0.95 0.02 . 1 . . . . 34 ILE HG2 . 7032 1 345 . 1 1 34 34 ILE HD11 H 1 0.95 0.02 . 1 . . . . 34 ILE HD1 . 7032 1 346 . 1 1 34 34 ILE HD12 H 1 0.95 0.02 . 1 . . . . 34 ILE HD1 . 7032 1 347 . 1 1 34 34 ILE HD13 H 1 0.95 0.02 . 1 . . . . 34 ILE HD1 . 7032 1 348 . 1 1 34 34 ILE C C 13 176.29 0.30 . 1 . . . . 34 ILE C . 7032 1 349 . 1 1 34 34 ILE CA C 13 63.95 0.30 . 1 . . . . 34 ILE CA . 7032 1 350 . 1 1 34 34 ILE CB C 13 39.14 0.30 . 1 . . . . 34 ILE CB . 7032 1 351 . 1 1 34 34 ILE CG1 C 13 27.74 0.30 . 1 . . . . 34 ILE CG1 . 7032 1 352 . 1 1 34 34 ILE CG2 C 13 18.61 0.30 . 1 . . . . 34 ILE CG2 . 7032 1 353 . 1 1 34 34 ILE CD1 C 13 14.76 0.30 . 1 . . . . 34 ILE CD1 . 7032 1 354 . 1 1 34 34 ILE N N 15 116.71 0.30 . 1 . . . . 34 ILE N . 7032 1 355 . 1 1 35 35 THR H H 1 7.51 0.02 . 1 . . . . 35 THR HN . 7032 1 356 . 1 1 35 35 THR HA H 1 4.47 0.02 . 1 . . . . 35 THR HA . 7032 1 357 . 1 1 35 35 THR HB H 1 4.40 0.02 . 1 . . . . 35 THR HB . 7032 1 358 . 1 1 35 35 THR HG1 H 1 6.37 0.02 . 1 . . . . 35 THR HG1 . 7032 1 359 . 1 1 35 35 THR HG21 H 1 1.17 0.02 . 1 . . . . 35 THR HG2 . 7032 1 360 . 1 1 35 35 THR HG22 H 1 1.17 0.02 . 1 . . . . 35 THR HG2 . 7032 1 361 . 1 1 35 35 THR HG23 H 1 1.17 0.02 . 1 . . . . 35 THR HG2 . 7032 1 362 . 1 1 35 35 THR C C 13 175.59 0.30 . 1 . . . . 35 THR C . 7032 1 363 . 1 1 35 35 THR CA C 13 61.56 0.30 . 1 . . . . 35 THR CA . 7032 1 364 . 1 1 35 35 THR CB C 13 68.50 0.30 . 1 . . . . 35 THR CB . 7032 1 365 . 1 1 35 35 THR CG2 C 13 21.93 0.30 . 1 . . . . 35 THR CG2 . 7032 1 366 . 1 1 35 35 THR N N 15 109.48 0.30 . 1 . . . . 35 THR N . 7032 1 367 . 1 1 36 36 GLY H H 1 8.10 0.02 . 1 . . . . 36 GLY HN . 7032 1 368 . 1 1 36 36 GLY HA2 H 1 3.58 0.02 . 2 . . . . 36 GLY HA1 . 7032 1 369 . 1 1 36 36 GLY HA3 H 1 4.22 0.02 . 2 . . . . 36 GLY HA2 . 7032 1 370 . 1 1 36 36 GLY C C 13 175.09 0.30 . 1 . . . . 36 GLY C . 7032 1 371 . 1 1 36 36 GLY CA C 13 45.12 0.30 . 1 . . . . 36 GLY CA . 7032 1 372 . 1 1 36 36 GLY N N 15 110.51 0.30 . 1 . . . . 36 GLY N . 7032 1 373 . 1 1 37 37 ARG H H 1 7.51 0.02 . 1 . . . . 37 ARG HN . 7032 1 374 . 1 1 37 37 ARG HA H 1 4.30 0.02 . 1 . . . . 37 ARG HA . 7032 1 375 . 1 1 37 37 ARG HB2 H 1 1.67 0.02 . 2 . . . . 37 ARG HB1 . 7032 1 376 . 1 1 37 37 ARG HB3 H 1 1.75 0.02 . 2 . . . . 37 ARG HB2 . 7032 1 377 . 1 1 37 37 ARG HG2 H 1 1.46 0.02 . 2 . . . . 37 ARG HG1 . 7032 1 378 . 1 1 37 37 ARG HG3 H 1 1.78 0.02 . 2 . . . . 37 ARG HG2 . 7032 1 379 . 1 1 37 37 ARG HD2 H 1 2.93 0.02 . 2 . . . . 37 ARG HD1 . 7032 1 380 . 1 1 37 37 ARG HD3 H 1 3.40 0.02 . 2 . . . . 37 ARG HD2 . 7032 1 381 . 1 1 37 37 ARG HE H 1 8.27 0.02 . 1 . . . . 37 ARG HE . 7032 1 382 . 1 1 37 37 ARG C C 13 175.42 0.30 . 1 . . . . 37 ARG C . 7032 1 383 . 1 1 37 37 ARG CA C 13 55.95 0.30 . 1 . . . . 37 ARG CA . 7032 1 384 . 1 1 37 37 ARG CB C 13 30.64 0.30 . 1 . . . . 37 ARG CB . 7032 1 385 . 1 1 37 37 ARG CG C 13 29.32 0.30 . 1 . . . . 37 ARG CG . 7032 1 386 . 1 1 37 37 ARG CD C 13 42.41 0.30 . 1 . . . . 37 ARG CD . 7032 1 387 . 1 1 37 37 ARG N N 15 120.42 0.30 . 1 . . . . 37 ARG N . 7032 1 388 . 1 1 37 37 ARG NE N 15 117.74 0.30 . 1 . . . . 37 ARG NE . 7032 1 389 . 1 1 38 38 THR H H 1 8.89 0.02 . 1 . . . . 38 THR HN . 7032 1 390 . 1 1 38 38 THR HA H 1 4.48 0.02 . 1 . . . . 38 THR HA . 7032 1 391 . 1 1 38 38 THR HB H 1 3.86 0.02 . 1 . . . . 38 THR HB . 7032 1 392 . 1 1 38 38 THR HG21 H 1 1.38 0.02 . 1 . . . . 38 THR HG2 . 7032 1 393 . 1 1 38 38 THR HG22 H 1 1.38 0.02 . 1 . . . . 38 THR HG2 . 7032 1 394 . 1 1 38 38 THR HG23 H 1 1.38 0.02 . 1 . . . . 38 THR HG2 . 7032 1 395 . 1 1 38 38 THR C C 13 174.08 0.30 . 1 . . . . 38 THR C . 7032 1 396 . 1 1 38 38 THR CA C 13 62.88 0.30 . 1 . . . . 38 THR CA . 7032 1 397 . 1 1 38 38 THR CB C 13 69.79 0.30 . 1 . . . . 38 THR CB . 7032 1 398 . 1 1 38 38 THR CG2 C 13 22.20 0.30 . 1 . . . . 38 THR CG2 . 7032 1 399 . 1 1 38 38 THR N N 15 119.18 0.30 . 1 . . . . 38 THR N . 7032 1 400 . 1 1 39 39 CYS H H 1 8.19 0.02 . 1 . . . . 39 CYS HN . 7032 1 401 . 1 1 39 39 CYS HA H 1 4.79 0.02 . 1 . . . . 39 CYS HA . 7032 1 402 . 1 1 39 39 CYS HB2 H 1 2.71 0.02 . 2 . . . . 39 CYS HB1 . 7032 1 403 . 1 1 39 39 CYS HB3 H 1 3.02 0.02 . 2 . . . . 39 CYS HB2 . 7032 1 404 . 1 1 39 39 CYS C C 13 176.31 0.30 . 1 . . . . 39 CYS C . 7032 1 405 . 1 1 39 39 CYS CA C 13 54.76 0.30 . 1 . . . . 39 CYS CA . 7032 1 406 . 1 1 39 39 CYS CB C 13 37.79 0.30 . 1 . . . . 39 CYS CB . 7032 1 407 . 1 1 39 39 CYS N N 15 125.07 0.30 . 1 . . . . 39 CYS N . 7032 1 408 . 1 1 40 40 GLN H H 1 9.57 0.02 . 1 . . . . 40 GLN HN . 7032 1 409 . 1 1 40 40 GLN HA H 1 4.14 0.02 . 1 . . . . 40 GLN HA . 7032 1 410 . 1 1 40 40 GLN HB2 H 1 1.15 0.02 . 2 . . . . 40 GLN HB1 . 7032 1 411 . 1 1 40 40 GLN HB3 H 1 1.75 0.02 . 2 . . . . 40 GLN HB2 . 7032 1 412 . 1 1 40 40 GLN HG2 H 1 2.33 0.02 . 2 . . . . 40 GLN HG1 . 7032 1 413 . 1 1 40 40 GLN HG3 H 1 2.43 0.02 . 2 . . . . 40 GLN HG2 . 7032 1 414 . 1 1 40 40 GLN HE21 H 1 6.20 0.02 . 2 . . . . 40 GLN HE21 . 7032 1 415 . 1 1 40 40 GLN HE22 H 1 7.64 0.02 . 2 . . . . 40 GLN HE22 . 7032 1 416 . 1 1 40 40 GLN C C 13 176.17 0.30 . 1 . . . . 40 GLN C . 7032 1 417 . 1 1 40 40 GLN CA C 13 55.27 0.30 . 1 . . . . 40 GLN CA . 7032 1 418 . 1 1 40 40 GLN CB C 13 30.45 0.30 . 1 . . . . 40 GLN CB . 7032 1 419 . 1 1 40 40 GLN CG C 13 32.85 0.30 . 1 . . . . 40 GLN CG . 7032 1 420 . 1 1 40 40 GLN N N 15 128.30 0.30 . 1 . . . . 40 GLN N . 7032 1 421 . 1 1 40 40 GLN NE2 N 15 110.72 0.30 . 1 . . . . 40 GLN NE2 . 7032 1 422 . 1 1 41 41 SER H H 1 8.67 0.02 . 1 . . . . 41 SER HN . 7032 1 423 . 1 1 41 41 SER HA H 1 4.17 0.02 . 1 . . . . 41 SER HA . 7032 1 424 . 1 1 41 41 SER HB2 H 1 3.75 0.02 . 1 . . . . 41 SER HB1 . 7032 1 425 . 1 1 41 41 SER HB3 H 1 3.75 0.02 . 1 . . . . 41 SER HB2 . 7032 1 426 . 1 1 41 41 SER C C 13 175.71 0.30 . 1 . . . . 41 SER C . 7032 1 427 . 1 1 41 41 SER CA C 13 59.41 0.30 . 1 . . . . 41 SER CA . 7032 1 428 . 1 1 41 41 SER CB C 13 62.75 0.30 . 1 . . . . 41 SER CB . 7032 1 429 . 1 1 41 41 SER N N 15 122.21 0.30 . 1 . . . . 41 SER N . 7032 1 430 . 1 1 42 42 TRP H H 1 7.64 0.02 . 1 . . . . 42 TRP HN . 7032 1 431 . 1 1 42 42 TRP HA H 1 4.17 0.02 . 1 . . . . 42 TRP HA . 7032 1 432 . 1 1 42 42 TRP HB2 H 1 2.83 0.02 . 2 . . . . 42 TRP HB1 . 7032 1 433 . 1 1 42 42 TRP HB3 H 1 3.78 0.02 . 2 . . . . 42 TRP HB2 . 7032 1 434 . 1 1 42 42 TRP HD1 H 1 7.08 0.02 . 1 . . . . 42 TRP HD1 . 7032 1 435 . 1 1 42 42 TRP HE1 H 1 11.60 0.02 . 1 . . . . 42 TRP HE1 . 7032 1 436 . 1 1 42 42 TRP HZ2 H 1 7.23 0.02 . 4 . . . . 42 TRP HZ2 . 7032 1 437 . 1 1 42 42 TRP HH2 H 1 7.41 0.02 . 1 . . . . 42 TRP HH2 . 7032 1 438 . 1 1 42 42 TRP C C 13 176.19 0.30 . 1 . . . . 42 TRP C . 7032 1 439 . 1 1 42 42 TRP CA C 13 59.43 0.30 . 1 . . . . 42 TRP CA . 7032 1 440 . 1 1 42 42 TRP CB C 13 29.32 0.30 . 1 . . . . 42 TRP CB . 7032 1 441 . 1 1 42 42 TRP CD1 C 13 127.04 0.30 . 1 . . . . 42 TRP CD1 . 7032 1 442 . 1 1 42 42 TRP N N 15 126.17 0.30 . 1 . . . . 42 TRP N . 7032 1 443 . 1 1 42 42 TRP NE1 N 15 131.53 0.30 . 1 . . . . 42 TRP NE1 . 7032 1 444 . 1 1 43 43 SER H H 1 8.36 0.02 . 1 . . . . 43 SER HN . 7032 1 445 . 1 1 43 43 SER HA H 1 4.30 0.02 . 1 . . . . 43 SER HA . 7032 1 446 . 1 1 43 43 SER HB2 H 1 3.85 0.02 . 2 . . . . 43 SER HB1 . 7032 1 447 . 1 1 43 43 SER HB3 H 1 3.92 0.02 . 2 . . . . 43 SER HB2 . 7032 1 448 . 1 1 43 43 SER C C 13 175.09 0.30 . 1 . . . . 43 SER C . 7032 1 449 . 1 1 43 43 SER CA C 13 58.88 0.30 . 1 . . . . 43 SER CA . 7032 1 450 . 1 1 43 43 SER CB C 13 63.18 0.30 . 1 . . . . 43 SER CB . 7032 1 451 . 1 1 43 43 SER N N 15 105.84 0.30 . 1 . . . . 43 SER N . 7032 1 452 . 1 1 44 44 SER H H 1 7.76 0.02 . 1 . . . . 44 SER HN . 7032 1 453 . 1 1 44 44 SER HA H 1 4.50 0.02 . 1 . . . . 44 SER HA . 7032 1 454 . 1 1 44 44 SER HB2 H 1 3.86 0.02 . 2 . . . . 44 SER HB1 . 7032 1 455 . 1 1 44 44 SER HB3 H 1 4.08 0.02 . 2 . . . . 44 SER HB2 . 7032 1 456 . 1 1 44 44 SER C C 13 173.92 0.30 . 1 . . . . 44 SER C . 7032 1 457 . 1 1 44 44 SER CA C 13 56.49 0.30 . 1 . . . . 44 SER CA . 7032 1 458 . 1 1 44 44 SER CB C 13 64.48 0.30 . 1 . . . . 44 SER CB . 7032 1 459 . 1 1 44 44 SER N N 15 116.72 0.30 . 1 . . . . 44 SER N . 7032 1 460 . 1 1 45 45 MET H H 1 8.30 0.02 . 1 . . . . 45 MET HN . 7032 1 461 . 1 1 45 45 MET HA H 1 5.03 0.02 . 1 . . . . 45 MET HA . 7032 1 462 . 1 1 45 45 MET HB2 H 1 1.78 0.02 . 2 . . . . 45 MET HB1 . 7032 1 463 . 1 1 45 45 MET HB3 H 1 2.26 0.02 . 2 . . . . 45 MET HB2 . 7032 1 464 . 1 1 45 45 MET HG2 H 1 1.86 0.02 . 2 . . . . 45 MET HG1 . 7032 1 465 . 1 1 45 45 MET HG3 H 1 2.79 0.02 . 2 . . . . 45 MET HG2 . 7032 1 466 . 1 1 45 45 MET HE1 H 1 1.07 0.02 . 1 . . . . 45 MET HE . 7032 1 467 . 1 1 45 45 MET HE2 H 1 1.07 0.02 . 1 . . . . 45 MET HE . 7032 1 468 . 1 1 45 45 MET HE3 H 1 1.07 0.02 . 1 . . . . 45 MET HE . 7032 1 469 . 1 1 45 45 MET C C 13 174.70 0.30 . 1 . . . . 45 MET C . 7032 1 470 . 1 1 45 45 MET CA C 13 52.63 0.30 . 1 . . . . 45 MET CA . 7032 1 471 . 1 1 45 45 MET CB C 13 34.48 0.30 . 1 . . . . 45 MET CB . 7032 1 472 . 1 1 45 45 MET CG C 13 32.60 0.30 . 1 . . . . 45 MET CG . 7032 1 473 . 1 1 45 45 MET CE C 13 20.34 0.30 . 1 . . . . 45 MET CE . 7032 1 474 . 1 1 45 45 MET N N 15 121.94 0.30 . 1 . . . . 45 MET N . 7032 1 475 . 1 1 46 46 THR H H 1 7.76 0.02 . 1 . . . . 46 THR HN . 7032 1 476 . 1 1 46 46 THR HA H 1 4.45 0.02 . 1 . . . . 46 THR HA . 7032 1 477 . 1 1 46 46 THR HB H 1 3.80 0.02 . 1 . . . . 46 THR HB . 7032 1 478 . 1 1 46 46 THR HG21 H 1 1.06 0.02 . 1 . . . . 46 THR HG2 . 7032 1 479 . 1 1 46 46 THR HG22 H 1 1.06 0.02 . 1 . . . . 46 THR HG2 . 7032 1 480 . 1 1 46 46 THR HG23 H 1 1.06 0.02 . 1 . . . . 46 THR HG2 . 7032 1 481 . 1 1 46 46 THR CA C 13 57.55 0.30 . 1 . . . . 46 THR CA . 7032 1 482 . 1 1 46 46 THR CB C 13 70.85 0.30 . 1 . . . . 46 THR CB . 7032 1 483 . 1 1 46 46 THR CG2 C 13 20.74 0.30 . 1 . . . . 46 THR CG2 . 7032 1 484 . 1 1 46 46 THR N N 15 113.17 0.30 . 1 . . . . 46 THR N . 7032 1 485 . 1 1 47 47 PRO HA H 1 4.46 0.02 . 1 . . . . 47 PRO HA . 7032 1 486 . 1 1 47 47 PRO HB2 H 1 1.04 0.02 . 2 . . . . 47 PRO HB1 . 7032 1 487 . 1 1 47 47 PRO HB3 H 1 2.15 0.02 . 2 . . . . 47 PRO HB2 . 7032 1 488 . 1 1 47 47 PRO HG2 H 1 1.49 0.02 . 2 . . . . 47 PRO HG1 . 7032 1 489 . 1 1 47 47 PRO HG3 H 1 1.60 0.02 . 2 . . . . 47 PRO HG2 . 7032 1 490 . 1 1 47 47 PRO HD2 H 1 3.36 0.02 . 2 . . . . 47 PRO HD1 . 7032 1 491 . 1 1 47 47 PRO HD3 H 1 4.12 0.02 . 2 . . . . 47 PRO HD2 . 7032 1 492 . 1 1 47 47 PRO C C 13 176.92 0.30 . 1 . . . . 47 PRO C . 7032 1 493 . 1 1 47 47 PRO CA C 13 63.95 0.30 . 1 . . . . 47 PRO CA . 7032 1 494 . 1 1 47 47 PRO CB C 13 34.25 0.30 . 1 . . . . 47 PRO CB . 7032 1 495 . 1 1 47 47 PRO CG C 13 24.59 0.30 . 1 . . . . 47 PRO CG . 7032 1 496 . 1 1 47 47 PRO CD C 13 50.93 0.30 . 1 . . . . 47 PRO CD . 7032 1 497 . 1 1 48 48 HIS H H 1 8.74 0.02 . 1 . . . . 48 HIS HN . 7032 1 498 . 1 1 48 48 HIS HA H 1 4.85 0.02 . 1 . . . . 48 HIS HA . 7032 1 499 . 1 1 48 48 HIS HB2 H 1 2.71 0.02 . 2 . . . . 48 HIS HB1 . 7032 1 500 . 1 1 48 48 HIS HB3 H 1 3.00 0.02 . 2 . . . . 48 HIS HB2 . 7032 1 501 . 1 1 48 48 HIS HE1 H 1 8.29 0.02 . 1 . . . . 48 HIS HE1 . 7032 1 502 . 1 1 48 48 HIS C C 13 173.69 0.30 . 1 . . . . 48 HIS C . 7032 1 503 . 1 1 48 48 HIS CA C 13 55.90 0.30 . 1 . . . . 48 HIS CA . 7032 1 504 . 1 1 48 48 HIS CB C 13 31.36 0.30 . 1 . . . . 48 HIS CB . 7032 1 505 . 1 1 48 48 HIS N N 15 122.85 0.30 . 1 . . . . 48 HIS N . 7032 1 506 . 1 1 49 49 TRP H H 1 8.95 0.02 . 1 . . . . 49 TRP HN . 7032 1 507 . 1 1 49 49 TRP HA H 1 4.39 0.02 . 1 . . . . 49 TRP HA . 7032 1 508 . 1 1 49 49 TRP HB2 H 1 3.28 0.02 . 1 . . . . 49 TRP HB1 . 7032 1 509 . 1 1 49 49 TRP HB3 H 1 3.28 0.02 . 1 . . . . 49 TRP HB2 . 7032 1 510 . 1 1 49 49 TRP HD1 H 1 7.20 0.02 . 1 . . . . 49 TRP HD1 . 7032 1 511 . 1 1 49 49 TRP HE1 H 1 10.06 0.02 . 1 . . . . 49 TRP HE1 . 7032 1 512 . 1 1 49 49 TRP HE3 H 1 7.48 0.02 . 4 . . . . 49 TRP HE3 . 7032 1 513 . 1 1 49 49 TRP HZ3 H 1 7.56 0.02 . 4 . . . . 49 TRP HZ3 . 7032 1 514 . 1 1 49 49 TRP HH2 H 1 7.10 0.02 . 1 . . . . 49 TRP HH2 . 7032 1 515 . 1 1 49 49 TRP C C 13 176.34 0.30 . 1 . . . . 49 TRP C . 7032 1 516 . 1 1 49 49 TRP CA C 13 58.63 0.30 . 1 . . . . 49 TRP CA . 7032 1 517 . 1 1 49 49 TRP CB C 13 29.50 0.30 . 1 . . . . 49 TRP CB . 7032 1 518 . 1 1 49 49 TRP CD1 C 13 127.59 0.30 . 1 . . . . 49 TRP CD1 . 7032 1 519 . 1 1 49 49 TRP N N 15 126.36 0.30 . 1 . . . . 49 TRP N . 7032 1 520 . 1 1 49 49 TRP NE1 N 15 129.28 0.30 . 1 . . . . 49 TRP NE1 . 7032 1 521 . 1 1 50 50 HIS H H 1 7.07 0.02 . 1 . . . . 50 HIS HN . 7032 1 522 . 1 1 50 50 HIS HA H 1 4.38 0.02 . 1 . . . . 50 HIS HA . 7032 1 523 . 1 1 50 50 HIS HB2 H 1 2.25 0.02 . 2 . . . . 50 HIS HB1 . 7032 1 524 . 1 1 50 50 HIS HB3 H 1 3.10 0.02 . 2 . . . . 50 HIS HB2 . 7032 1 525 . 1 1 50 50 HIS HD1 H 1 7.82 0.02 . 1 . . . . 50 HIS HD1 . 7032 1 526 . 1 1 50 50 HIS HE1 H 1 8.43 0.02 . 1 . . . . 50 HIS HE1 . 7032 1 527 . 1 1 50 50 HIS C C 13 172.84 0.30 . 1 . . . . 50 HIS C . 7032 1 528 . 1 1 50 50 HIS CA C 13 55.43 0.30 . 1 . . . . 50 HIS CA . 7032 1 529 . 1 1 50 50 HIS CB C 13 33.60 0.30 . 1 . . . . 50 HIS CB . 7032 1 530 . 1 1 50 50 HIS N N 15 127.50 0.30 . 1 . . . . 50 HIS N . 7032 1 531 . 1 1 51 51 ARG H H 1 8.62 0.02 . 1 . . . . 51 ARG HN . 7032 1 532 . 1 1 51 51 ARG HA H 1 4.33 0.02 . 1 . . . . 51 ARG HA . 7032 1 533 . 1 1 51 51 ARG HB2 H 1 1.74 0.02 . 2 . . . . 51 ARG HB1 . 7032 1 534 . 1 1 51 51 ARG HB3 H 1 2.16 0.02 . 2 . . . . 51 ARG HB2 . 7032 1 535 . 1 1 51 51 ARG HG2 H 1 1.29 0.02 . 2 . . . . 51 ARG HG1 . 7032 1 536 . 1 1 51 51 ARG HG3 H 1 1.75 0.02 . 2 . . . . 51 ARG HG2 . 7032 1 537 . 1 1 51 51 ARG HD2 H 1 3.12 0.02 . 2 . . . . 51 ARG HD1 . 7032 1 538 . 1 1 51 51 ARG HD3 H 1 3.35 0.02 . 2 . . . . 51 ARG HD2 . 7032 1 539 . 1 1 51 51 ARG CA C 13 55.12 0.30 . 1 . . . . 51 ARG CA . 7032 1 540 . 1 1 51 51 ARG CB C 13 32.44 0.30 . 1 . . . . 51 ARG CB . 7032 1 541 . 1 1 51 51 ARG CG C 13 25.70 0.30 . 1 . . . . 51 ARG CG . 7032 1 542 . 1 1 51 51 ARG CD C 13 44.82 0.30 . 1 . . . . 51 ARG CD . 7032 1 543 . 1 1 51 51 ARG N N 15 116.82 0.30 . 1 . . . . 51 ARG N . 7032 1 544 . 1 1 52 52 ARG C C 13 173.15 0.30 . 1 . . . . 52 ARG C . 7032 1 545 . 1 1 52 52 ARG CA C 13 55.38 0.30 . 1 . . . . 52 ARG CA . 7032 1 546 . 1 1 52 52 ARG CB C 13 28.14 0.30 . 1 . . . . 52 ARG CB . 7032 1 547 . 1 1 53 53 ILE H H 1 6.84 0.02 . 1 . . . . 53 ILE HN . 7032 1 548 . 1 1 53 53 ILE HA H 1 5.00 0.02 . 1 . . . . 53 ILE HA . 7032 1 549 . 1 1 53 53 ILE HB H 1 1.97 0.02 . 1 . . . . 53 ILE HB . 7032 1 550 . 1 1 53 53 ILE HG12 H 1 0.84 0.02 . 1 . . . . 53 ILE HG11 . 7032 1 551 . 1 1 53 53 ILE HG13 H 1 1.08 0.02 . 1 . . . . 53 ILE HG12 . 7032 1 552 . 1 1 53 53 ILE HG21 H 1 0.75 0.02 . 1 . . . . 53 ILE HG2 . 7032 1 553 . 1 1 53 53 ILE HG22 H 1 0.75 0.02 . 1 . . . . 53 ILE HG2 . 7032 1 554 . 1 1 53 53 ILE HG23 H 1 0.75 0.02 . 1 . . . . 53 ILE HG2 . 7032 1 555 . 1 1 53 53 ILE HD11 H 1 0.67 0.02 . 1 . . . . 53 ILE HD1 . 7032 1 556 . 1 1 53 53 ILE HD12 H 1 0.67 0.02 . 1 . . . . 53 ILE HD1 . 7032 1 557 . 1 1 53 53 ILE HD13 H 1 0.67 0.02 . 1 . . . . 53 ILE HD1 . 7032 1 558 . 1 1 53 53 ILE CA C 13 57.29 0.30 . 1 . . . . 53 ILE CA . 7032 1 559 . 1 1 53 53 ILE CB C 13 38.42 0.30 . 1 . . . . 53 ILE CB . 7032 1 560 . 1 1 53 53 ILE CG1 C 13 26.74 0.30 . 1 . . . . 53 ILE CG1 . 7032 1 561 . 1 1 53 53 ILE CG2 C 13 19.28 0.30 . 1 . . . . 53 ILE CG2 . 7032 1 562 . 1 1 53 53 ILE CD1 C 13 13.17 0.30 . 1 . . . . 53 ILE CD1 . 7032 1 563 . 1 1 53 53 ILE N N 15 106.56 0.30 . 1 . . . . 53 ILE N . 7032 1 564 . 1 1 54 54 PRO HA H 1 4.01 0.02 . 1 . . . . 54 PRO HA . 7032 1 565 . 1 1 54 54 PRO HB2 H 1 1.86 0.02 . 2 . . . . 54 PRO HB1 . 7032 1 566 . 1 1 54 54 PRO HB3 H 1 2.39 0.02 . 2 . . . . 54 PRO HB2 . 7032 1 567 . 1 1 54 54 PRO HG2 H 1 2.15 0.02 . 1 . . . . 54 PRO HG1 . 7032 1 568 . 1 1 54 54 PRO HG3 H 1 2.15 0.02 . 1 . . . . 54 PRO HG2 . 7032 1 569 . 1 1 54 54 PRO HD2 H 1 3.64 0.02 . 2 . . . . 54 PRO HD1 . 7032 1 570 . 1 1 54 54 PRO HD3 H 1 3.84 0.02 . 2 . . . . 54 PRO HD2 . 7032 1 571 . 1 1 54 54 PRO C C 13 177.33 0.30 . 1 . . . . 54 PRO C . 7032 1 572 . 1 1 54 54 PRO CA C 13 65.51 0.30 . 1 . . . . 54 PRO CA . 7032 1 573 . 1 1 54 54 PRO CB C 13 31.76 0.30 . 1 . . . . 54 PRO CB . 7032 1 574 . 1 1 54 54 PRO CG C 13 27.50 0.30 . 1 . . . . 54 PRO CG . 7032 1 575 . 1 1 54 54 PRO CD C 13 50.66 0.30 . 1 . . . . 54 PRO CD . 7032 1 576 . 1 1 55 55 LEU H H 1 7.51 0.02 . 1 . . . . 55 LEU HN . 7032 1 577 . 1 1 55 55 LEU HA H 1 3.81 0.02 . 1 . . . . 55 LEU HA . 7032 1 578 . 1 1 55 55 LEU HB2 H 1 0.80 0.02 . 2 . . . . 55 LEU HB1 . 7032 1 579 . 1 1 55 55 LEU HB3 H 1 1.32 0.02 . 2 . . . . 55 LEU HB2 . 7032 1 580 . 1 1 55 55 LEU HG H 1 1.01 0.02 . 1 . . . . 55 LEU HG . 7032 1 581 . 1 1 55 55 LEU HD11 H 1 0.59 0.02 . 2 . . . . 55 LEU HD1 . 7032 1 582 . 1 1 55 55 LEU HD12 H 1 0.59 0.02 . 2 . . . . 55 LEU HD1 . 7032 1 583 . 1 1 55 55 LEU HD13 H 1 0.59 0.02 . 2 . . . . 55 LEU HD1 . 7032 1 584 . 1 1 55 55 LEU HD21 H 1 0.76 0.02 . 2 . . . . 55 LEU HD2 . 7032 1 585 . 1 1 55 55 LEU HD22 H 1 0.76 0.02 . 2 . . . . 55 LEU HD2 . 7032 1 586 . 1 1 55 55 LEU HD23 H 1 0.76 0.02 . 2 . . . . 55 LEU HD2 . 7032 1 587 . 1 1 55 55 LEU C C 13 177.52 0.30 . 1 . . . . 55 LEU C . 7032 1 588 . 1 1 55 55 LEU CA C 13 57.54 0.30 . 1 . . . . 55 LEU CA . 7032 1 589 . 1 1 55 55 LEU CB C 13 42.95 0.30 . 1 . . . . 55 LEU CB . 7032 1 590 . 1 1 55 55 LEU CG C 13 26.48 0.30 . 1 . . . . 55 LEU CG . 7032 1 591 . 1 1 55 55 LEU CD1 C 13 25.38 0.30 . 1 . . . . 55 LEU CD1 . 7032 1 592 . 1 1 55 55 LEU CD2 C 13 23.21 0.30 . 1 . . . . 55 LEU CD2 . 7032 1 593 . 1 1 55 55 LEU N N 15 114.46 0.30 . 1 . . . . 55 LEU N . 7032 1 594 . 1 1 56 56 TYR H H 1 7.01 0.02 . 1 . . . . 56 TYR HN . 7032 1 595 . 1 1 56 56 TYR HA H 1 4.63 0.02 . 1 . . . . 56 TYR HA . 7032 1 596 . 1 1 56 56 TYR HB2 H 1 2.87 0.02 . 2 . . . . 56 TYR HB1 . 7032 1 597 . 1 1 56 56 TYR HB3 H 1 3.05 0.02 . 2 . . . . 56 TYR HB2 . 7032 1 598 . 1 1 56 56 TYR HD1 H 1 7.23 0.02 . 3 . . . . 56 TYR HD1 . 7032 1 599 . 1 1 56 56 TYR HE1 H 1 6.78 0.02 . 3 . . . . 56 TYR HE1 . 7032 1 600 . 1 1 56 56 TYR C C 13 175.04 0.30 . 1 . . . . 56 TYR C . 7032 1 601 . 1 1 56 56 TYR CA C 13 56.50 0.30 . 1 . . . . 56 TYR CA . 7032 1 602 . 1 1 56 56 TYR CB C 13 39.46 0.30 . 1 . . . . 56 TYR CB . 7032 1 603 . 1 1 56 56 TYR CD1 C 13 132.37 0.30 . 3 . . . . 56 TYR CD1 . 7032 1 604 . 1 1 56 56 TYR CE1 C 13 118.23 0.30 . 3 . . . . 56 TYR CE1 . 7032 1 605 . 1 1 56 56 TYR N N 15 112.75 0.30 . 1 . . . . 56 TYR N . 7032 1 606 . 1 1 57 57 TYR H H 1 7.55 0.02 . 1 . . . . 57 TYR HN . 7032 1 607 . 1 1 57 57 TYR HA H 1 4.90 0.02 . 1 . . . . 57 TYR HA . 7032 1 608 . 1 1 57 57 TYR HB2 H 1 2.47 0.02 . 2 . . . . 57 TYR HB1 . 7032 1 609 . 1 1 57 57 TYR HB3 H 1 2.84 0.02 . 2 . . . . 57 TYR HB2 . 7032 1 610 . 1 1 57 57 TYR HD1 H 1 7.23 0.02 . 3 . . . . 57 TYR HD1 . 7032 1 611 . 1 1 57 57 TYR HE1 H 1 7.05 0.02 . 3 . . . . 57 TYR HE1 . 7032 1 612 . 1 1 57 57 TYR CA C 13 56.13 0.30 . 1 . . . . 57 TYR CA . 7032 1 613 . 1 1 57 57 TYR CB C 13 38.79 0.30 . 1 . . . . 57 TYR CB . 7032 1 614 . 1 1 57 57 TYR CD1 C 13 133.73 0.30 . 3 . . . . 57 TYR CD1 . 7032 1 615 . 1 1 57 57 TYR CE1 C 13 117.95 0.30 . 3 . . . . 57 TYR CE1 . 7032 1 616 . 1 1 57 57 TYR N N 15 117.31 0.30 . 1 . . . . 57 TYR N . 7032 1 617 . 1 1 58 58 PRO HA H 1 4.41 0.02 . 1 . . . . 58 PRO HA . 7032 1 618 . 1 1 58 58 PRO HB2 H 1 1.90 0.02 . 2 . . . . 58 PRO HB1 . 7032 1 619 . 1 1 58 58 PRO HB3 H 1 2.30 0.02 . 2 . . . . 58 PRO HB2 . 7032 1 620 . 1 1 58 58 PRO HG2 H 1 1.80 0.02 . 2 . . . . 58 PRO HG1 . 7032 1 621 . 1 1 58 58 PRO HG3 H 1 2.00 0.02 . 2 . . . . 58 PRO HG2 . 7032 1 622 . 1 1 58 58 PRO HD2 H 1 3.20 0.02 . 2 . . . . 58 PRO HD1 . 7032 1 623 . 1 1 58 58 PRO HD3 H 1 3.51 0.02 . 2 . . . . 58 PRO HD2 . 7032 1 624 . 1 1 58 58 PRO C C 13 177.94 0.30 . 1 . . . . 58 PRO C . 7032 1 625 . 1 1 58 58 PRO CA C 13 64.74 0.30 . 1 . . . . 58 PRO CA . 7032 1 626 . 1 1 58 58 PRO CB C 13 32.10 0.30 . 1 . . . . 58 PRO CB . 7032 1 627 . 1 1 58 58 PRO CG C 13 27.08 0.30 . 1 . . . . 58 PRO CG . 7032 1 628 . 1 1 58 58 PRO CD C 13 50.42 0.30 . 1 . . . . 58 PRO CD . 7032 1 629 . 1 1 59 59 ASN H H 1 8.78 0.02 . 1 . . . . 59 ASN HN . 7032 1 630 . 1 1 59 59 ASN HA H 1 5.01 0.02 . 1 . . . . 59 ASN HA . 7032 1 631 . 1 1 59 59 ASN HB2 H 1 2.64 0.02 . 2 . . . . 59 ASN HB1 . 7032 1 632 . 1 1 59 59 ASN HB3 H 1 2.98 0.02 . 2 . . . . 59 ASN HB2 . 7032 1 633 . 1 1 59 59 ASN HD21 H 1 7.00 0.02 . 2 . . . . 59 ASN HD21 . 7032 1 634 . 1 1 59 59 ASN HD22 H 1 7.63 0.02 . 2 . . . . 59 ASN HD22 . 7032 1 635 . 1 1 59 59 ASN C C 13 174.96 0.30 . 1 . . . . 59 ASN C . 7032 1 636 . 1 1 59 59 ASN CA C 13 52.63 0.30 . 1 . . . . 59 ASN CA . 7032 1 637 . 1 1 59 59 ASN CB C 13 38.99 0.30 . 1 . . . . 59 ASN CB . 7032 1 638 . 1 1 59 59 ASN N N 15 116.42 0.30 . 1 . . . . 59 ASN N . 7032 1 639 . 1 1 59 59 ASN ND2 N 15 113.97 0.30 . 1 . . . . 59 ASN ND2 . 7032 1 640 . 1 1 60 60 ALA H H 1 7.05 0.02 . 1 . . . . 60 ALA HN . 7032 1 641 . 1 1 60 60 ALA HA H 1 4.46 0.02 . 1 . . . . 60 ALA HA . 7032 1 642 . 1 1 60 60 ALA HB1 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 7032 1 643 . 1 1 60 60 ALA HB2 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 7032 1 644 . 1 1 60 60 ALA HB3 H 1 1.33 0.02 . 1 . . . . 60 ALA HB . 7032 1 645 . 1 1 60 60 ALA C C 13 176.83 0.30 . 1 . . . . 60 ALA C . 7032 1 646 . 1 1 60 60 ALA CA C 13 52.00 0.30 . 1 . . . . 60 ALA CA . 7032 1 647 . 1 1 60 60 ALA CB C 13 21.18 0.30 . 1 . . . . 60 ALA CB . 7032 1 648 . 1 1 60 60 ALA N N 15 119.36 0.30 . 1 . . . . 60 ALA N . 7032 1 649 . 1 1 61 61 GLY H H 1 8.21 0.02 . 1 . . . . 61 GLY HN . 7032 1 650 . 1 1 61 61 GLY HA2 H 1 3.48 0.02 . 2 . . . . 61 GLY HA1 . 7032 1 651 . 1 1 61 61 GLY HA3 H 1 3.77 0.02 . 2 . . . . 61 GLY HA2 . 7032 1 652 . 1 1 61 61 GLY C C 13 176.06 0.30 . 1 . . . . 61 GLY C . 7032 1 653 . 1 1 61 61 GLY CA C 13 47.22 0.30 . 1 . . . . 61 GLY CA . 7032 1 654 . 1 1 61 61 GLY N N 15 108.42 0.30 . 1 . . . . 61 GLY N . 7032 1 655 . 1 1 62 62 LEU H H 1 8.73 0.02 . 1 . . . . 62 LEU HN . 7032 1 656 . 1 1 62 62 LEU HA H 1 3.36 0.02 . 1 . . . . 62 LEU HA . 7032 1 657 . 1 1 62 62 LEU HB2 H 1 0.50 0.02 . 2 . . . . 62 LEU HB1 . 7032 1 658 . 1 1 62 62 LEU HB3 H 1 1.63 0.02 . 2 . . . . 62 LEU HB2 . 7032 1 659 . 1 1 62 62 LEU HG H 1 1.03 0.02 . 1 . . . . 62 LEU HG . 7032 1 660 . 1 1 62 62 LEU HD11 H 1 0.17 0.02 . 2 . . . . 62 LEU HD1 . 7032 1 661 . 1 1 62 62 LEU HD12 H 1 0.17 0.02 . 2 . . . . 62 LEU HD1 . 7032 1 662 . 1 1 62 62 LEU HD13 H 1 0.17 0.02 . 2 . . . . 62 LEU HD1 . 7032 1 663 . 1 1 62 62 LEU HD21 H 1 -1.12 0.02 . 2 . . . . 62 LEU HD2 . 7032 1 664 . 1 1 62 62 LEU HD22 H 1 -1.12 0.02 . 2 . . . . 62 LEU HD2 . 7032 1 665 . 1 1 62 62 LEU HD23 H 1 -1.12 0.02 . 2 . . . . 62 LEU HD2 . 7032 1 666 . 1 1 62 62 LEU C C 13 174.95 0.30 . 1 . . . . 62 LEU C . 7032 1 667 . 1 1 62 62 LEU CA C 13 54.38 0.30 . 1 . . . . 62 LEU CA . 7032 1 668 . 1 1 62 62 LEU CB C 13 37.89 0.30 . 1 . . . . 62 LEU CB . 7032 1 669 . 1 1 62 62 LEU CG C 13 25.12 0.30 . 1 . . . . 62 LEU CG . 7032 1 670 . 1 1 62 62 LEU CD1 C 13 25.66 0.30 . 1 . . . . 62 LEU CD1 . 7032 1 671 . 1 1 62 62 LEU CD2 C 13 19.03 0.30 . 1 . . . . 62 LEU CD2 . 7032 1 672 . 1 1 62 62 LEU N N 15 120.17 0.30 . 1 . . . . 62 LEU N . 7032 1 673 . 1 1 63 63 THR H H 1 7.58 0.02 . 1 . . . . 63 THR HN . 7032 1 674 . 1 1 63 63 THR HA H 1 4.36 0.02 . 1 . . . . 63 THR HA . 7032 1 675 . 1 1 63 63 THR HB H 1 3.93 0.02 . 1 . . . . 63 THR HB . 7032 1 676 . 1 1 63 63 THR HG21 H 1 1.17 0.02 . 1 . . . . 63 THR HG2 . 7032 1 677 . 1 1 63 63 THR HG22 H 1 1.17 0.02 . 1 . . . . 63 THR HG2 . 7032 1 678 . 1 1 63 63 THR HG23 H 1 1.17 0.02 . 1 . . . . 63 THR HG2 . 7032 1 679 . 1 1 63 63 THR C C 13 171.29 0.30 . 1 . . . . 63 THR C . 7032 1 680 . 1 1 63 63 THR CA C 13 60.04 0.30 . 1 . . . . 63 THR CA . 7032 1 681 . 1 1 63 63 THR CB C 13 70.60 0.30 . 1 . . . . 63 THR CB . 7032 1 682 . 1 1 63 63 THR CG2 C 13 21.80 0.30 . 1 . . . . 63 THR CG2 . 7032 1 683 . 1 1 63 63 THR N N 15 121.61 0.30 . 1 . . . . 63 THR N . 7032 1 684 . 1 1 64 64 ARG H H 1 8.86 0.02 . 1 . . . . 64 ARG HN . 7032 1 685 . 1 1 64 64 ARG HA H 1 3.72 0.02 . 1 . . . . 64 ARG HA . 7032 1 686 . 1 1 64 64 ARG HB2 H 1 0.73 0.02 . 2 . . . . 64 ARG HB1 . 7032 1 687 . 1 1 64 64 ARG HB3 H 1 1.23 0.02 . 2 . . . . 64 ARG HB2 . 7032 1 688 . 1 1 64 64 ARG HG2 H 1 1.50 0.02 . 2 . . . . 64 ARG HG1 . 7032 1 689 . 1 1 64 64 ARG HG3 H 1 1.57 0.02 . 2 . . . . 64 ARG HG2 . 7032 1 690 . 1 1 64 64 ARG HD2 H 1 3.11 0.02 . 1 . . . . 64 ARG HD1 . 7032 1 691 . 1 1 64 64 ARG HD3 H 1 3.11 0.02 . 1 . . . . 64 ARG HD2 . 7032 1 692 . 1 1 64 64 ARG C C 13 173.28 0.30 . 1 . . . . 64 ARG C . 7032 1 693 . 1 1 64 64 ARG CA C 13 56.94 0.30 . 1 . . . . 64 ARG CA . 7032 1 694 . 1 1 64 64 ARG CB C 13 27.30 0.30 . 1 . . . . 64 ARG CB . 7032 1 695 . 1 1 64 64 ARG CG C 13 27.53 0.30 . 1 . . . . 64 ARG CG . 7032 1 696 . 1 1 64 64 ARG CD C 13 42.94 0.30 . 1 . . . . 64 ARG CD . 7032 1 697 . 1 1 64 64 ARG N N 15 120.39 0.30 . 1 . . . . 64 ARG N . 7032 1 698 . 1 1 65 65 ASN H H 1 7.70 0.02 . 1 . . . . 65 ASN HN . 7032 1 699 . 1 1 65 65 ASN HA H 1 4.60 0.02 . 1 . . . . 65 ASN HA . 7032 1 700 . 1 1 65 65 ASN HB2 H 1 2.09 0.02 . 2 . . . . 65 ASN HB1 . 7032 1 701 . 1 1 65 65 ASN HB3 H 1 2.41 0.02 . 2 . . . . 65 ASN HB2 . 7032 1 702 . 1 1 65 65 ASN HD21 H 1 7.02 0.02 . 2 . . . . 65 ASN HD21 . 7032 1 703 . 1 1 65 65 ASN HD22 H 1 7.63 0.02 . 2 . . . . 65 ASN HD22 . 7032 1 704 . 1 1 65 65 ASN C C 13 172.56 0.30 . 1 . . . . 65 ASN C . 7032 1 705 . 1 1 65 65 ASN CA C 13 51.17 0.30 . 1 . . . . 65 ASN CA . 7032 1 706 . 1 1 65 65 ASN CB C 13 37.27 0.30 . 1 . . . . 65 ASN CB . 7032 1 707 . 1 1 65 65 ASN N N 15 123.02 0.30 . 1 . . . . 65 ASN N . 7032 1 708 . 1 1 65 65 ASN ND2 N 15 109.29 0.30 . 1 . . . . 65 ASN ND2 . 7032 1 709 . 1 1 66 66 TYR H H 1 7.28 0.02 . 1 . . . . 66 TYR HN . 7032 1 710 . 1 1 66 66 TYR HA H 1 4.88 0.02 . 1 . . . . 66 TYR HA . 7032 1 711 . 1 1 66 66 TYR HB2 H 1 2.80 0.02 . 2 . . . . 66 TYR HB1 . 7032 1 712 . 1 1 66 66 TYR HB3 H 1 3.35 0.02 . 2 . . . . 66 TYR HB2 . 7032 1 713 . 1 1 66 66 TYR HD1 H 1 6.92 0.02 . 3 . . . . 66 TYR HD1 . 7032 1 714 . 1 1 66 66 TYR HE1 H 1 6.83 0.02 . 3 . . . . 66 TYR HE1 . 7032 1 715 . 1 1 66 66 TYR C C 13 177.34 0.30 . 1 . . . . 66 TYR C . 7032 1 716 . 1 1 66 66 TYR CA C 13 54.89 0.30 . 1 . . . . 66 TYR CA . 7032 1 717 . 1 1 66 66 TYR CB C 13 37.70 0.30 . 1 . . . . 66 TYR CB . 7032 1 718 . 1 1 66 66 TYR CD1 C 13 132.64 0.30 . 3 . . . . 66 TYR CD1 . 7032 1 719 . 1 1 66 66 TYR CE1 C 13 117.95 0.30 . 3 . . . . 66 TYR CE1 . 7032 1 720 . 1 1 66 66 TYR N N 15 114.53 0.30 . 1 . . . . 66 TYR N . 7032 1 721 . 1 1 67 67 CYS H H 1 9.09 0.02 . 1 . . . . 67 CYS HN . 7032 1 722 . 1 1 67 67 CYS HA H 1 4.36 0.02 . 1 . . . . 67 CYS HA . 7032 1 723 . 1 1 67 67 CYS HB2 H 1 2.40 0.02 . 2 . . . . 67 CYS HB1 . 7032 1 724 . 1 1 67 67 CYS HB3 H 1 3.35 0.02 . 2 . . . . 67 CYS HB2 . 7032 1 725 . 1 1 67 67 CYS C C 13 175.05 0.30 . 1 . . . . 67 CYS C . 7032 1 726 . 1 1 67 67 CYS CA C 13 54.73 0.30 . 1 . . . . 67 CYS CA . 7032 1 727 . 1 1 67 67 CYS CB C 13 38.28 0.30 . 1 . . . . 67 CYS CB . 7032 1 728 . 1 1 67 67 CYS N N 15 118.95 0.30 . 1 . . . . 67 CYS N . 7032 1 729 . 1 1 68 68 ARG H H 1 8.89 0.02 . 1 . . . . 68 ARG HN . 7032 1 730 . 1 1 68 68 ARG HA H 1 5.19 0.02 . 1 . . . . 68 ARG HA . 7032 1 731 . 1 1 68 68 ARG HB2 H 1 1.15 0.02 . 2 . . . . 68 ARG HB1 . 7032 1 732 . 1 1 68 68 ARG HB3 H 1 1.44 0.02 . 2 . . . . 68 ARG HB2 . 7032 1 733 . 1 1 68 68 ARG HG2 H 1 1.16 0.02 . 2 . . . . 68 ARG HG1 . 7032 1 734 . 1 1 68 68 ARG HG3 H 1 1.85 0.02 . 2 . . . . 68 ARG HG2 . 7032 1 735 . 1 1 68 68 ARG HD2 H 1 3.21 0.02 . 2 . . . . 68 ARG HD1 . 7032 1 736 . 1 1 68 68 ARG HD3 H 1 3.71 0.02 . 2 . . . . 68 ARG HD2 . 7032 1 737 . 1 1 68 68 ARG HE H 1 8.24 0.02 . 1 . . . . 68 ARG HE . 7032 1 738 . 1 1 68 68 ARG C C 13 173.83 0.30 . 1 . . . . 68 ARG C . 7032 1 739 . 1 1 68 68 ARG CA C 13 53.03 0.30 . 1 . . . . 68 ARG CA . 7032 1 740 . 1 1 68 68 ARG CB C 13 36.30 0.30 . 1 . . . . 68 ARG CB . 7032 1 741 . 1 1 68 68 ARG CG C 13 27.80 0.30 . 1 . . . . 68 ARG CG . 7032 1 742 . 1 1 68 68 ARG CD C 13 42.41 0.30 . 1 . . . . 68 ARG CD . 7032 1 743 . 1 1 68 68 ARG N N 15 124.42 0.30 . 1 . . . . 68 ARG N . 7032 1 744 . 1 1 68 68 ARG NE N 15 117.27 0.30 . 1 . . . . 68 ARG NE . 7032 1 745 . 1 1 69 69 ASN H H 1 8.06 0.02 . 1 . . . . 69 ASN HN . 7032 1 746 . 1 1 69 69 ASN HA H 1 5.18 0.02 . 1 . . . . 69 ASN HA . 7032 1 747 . 1 1 69 69 ASN HB2 H 1 1.92 0.02 . 2 . . . . 69 ASN HB1 . 7032 1 748 . 1 1 69 69 ASN HB3 H 1 2.40 0.02 . 2 . . . . 69 ASN HB2 . 7032 1 749 . 1 1 69 69 ASN HD21 H 1 6.81 0.02 . 2 . . . . 69 ASN HD21 . 7032 1 750 . 1 1 69 69 ASN HD22 H 1 7.00 0.02 . 2 . . . . 69 ASN HD22 . 7032 1 751 . 1 1 69 69 ASN CA C 13 49.58 0.30 . 1 . . . . 69 ASN CA . 7032 1 752 . 1 1 69 69 ASN CB C 13 38.42 0.30 . 1 . . . . 69 ASN CB . 7032 1 753 . 1 1 69 69 ASN N N 15 111.17 0.30 . 1 . . . . 69 ASN N . 7032 1 754 . 1 1 69 69 ASN ND2 N 15 107.72 0.30 . 1 . . . . 69 ASN ND2 . 7032 1 755 . 1 1 70 70 PRO HA H 1 4.25 0.02 . 1 . . . . 70 PRO HA . 7032 1 756 . 1 1 70 70 PRO HB2 H 1 1.07 0.02 . 2 . . . . 70 PRO HB1 . 7032 1 757 . 1 1 70 70 PRO HB3 H 1 1.25 0.02 . 2 . . . . 70 PRO HB2 . 7032 1 758 . 1 1 70 70 PRO HG2 H 1 0.97 0.02 . 2 . . . . 70 PRO HG1 . 7032 1 759 . 1 1 70 70 PRO HG3 H 1 1.47 0.02 . 2 . . . . 70 PRO HG2 . 7032 1 760 . 1 1 70 70 PRO HD2 H 1 2.33 0.02 . 2 . . . . 70 PRO HD1 . 7032 1 761 . 1 1 70 70 PRO HD3 H 1 3.43 0.02 . 2 . . . . 70 PRO HD2 . 7032 1 762 . 1 1 70 70 PRO C C 13 175.45 0.30 . 1 . . . . 70 PRO C . 7032 1 763 . 1 1 70 70 PRO CA C 13 62.88 0.30 . 1 . . . . 70 PRO CA . 7032 1 764 . 1 1 70 70 PRO CB C 13 31.25 0.30 . 1 . . . . 70 PRO CB . 7032 1 765 . 1 1 70 70 PRO CG C 13 26.20 0.30 . 1 . . . . 70 PRO CG . 7032 1 766 . 1 1 70 70 PRO CD C 13 48.78 0.30 . 1 . . . . 70 PRO CD . 7032 1 767 . 1 1 71 71 ASP H H 1 8.72 0.02 . 1 . . . . 71 ASP HN . 7032 1 768 . 1 1 71 71 ASP HA H 1 4.60 0.02 . 1 . . . . 71 ASP HA . 7032 1 769 . 1 1 71 71 ASP HB2 H 1 2.13 0.02 . 2 . . . . 71 ASP HB1 . 7032 1 770 . 1 1 71 71 ASP HB3 H 1 2.90 0.02 . 2 . . . . 71 ASP HB2 . 7032 1 771 . 1 1 71 71 ASP C C 13 175.23 0.30 . 1 . . . . 71 ASP C . 7032 1 772 . 1 1 71 71 ASP CA C 13 53.27 0.30 . 1 . . . . 71 ASP CA . 7032 1 773 . 1 1 71 71 ASP CB C 13 40.88 0.30 . 1 . . . . 71 ASP CB . 7032 1 774 . 1 1 71 71 ASP N N 15 117.23 0.30 . 1 . . . . 71 ASP N . 7032 1 775 . 1 1 72 72 ALA H H 1 7.60 0.02 . 1 . . . . 72 ALA HN . 7032 1 776 . 1 1 72 72 ALA HA H 1 3.75 0.02 . 1 . . . . 72 ALA HA . 7032 1 777 . 1 1 72 72 ALA HB1 H 1 1.33 0.02 . 1 . . . . 72 ALA HB . 7032 1 778 . 1 1 72 72 ALA HB2 H 1 1.33 0.02 . 1 . . . . 72 ALA HB . 7032 1 779 . 1 1 72 72 ALA HB3 H 1 1.33 0.02 . 1 . . . . 72 ALA HB . 7032 1 780 . 1 1 72 72 ALA C C 13 178.01 0.30 . 1 . . . . 72 ALA C . 7032 1 781 . 1 1 72 72 ALA CA C 13 53.84 0.30 . 1 . . . . 72 ALA CA . 7032 1 782 . 1 1 72 72 ALA CB C 13 16.88 0.30 . 1 . . . . 72 ALA CB . 7032 1 783 . 1 1 72 72 ALA N N 15 119.29 0.30 . 1 . . . . 72 ALA N . 7032 1 784 . 1 1 73 73 GLU H H 1 8.90 0.02 . 1 . . . . 73 GLU HN . 7032 1 785 . 1 1 73 73 GLU HA H 1 4.20 0.02 . 1 . . . . 73 GLU HA . 7032 1 786 . 1 1 73 73 GLU HB2 H 1 2.01 0.02 . 2 . . . . 73 GLU HB1 . 7032 1 787 . 1 1 73 73 GLU HB3 H 1 2.42 0.02 . 2 . . . . 73 GLU HB2 . 7032 1 788 . 1 1 73 73 GLU HG2 H 1 1.44 0.02 . 2 . . . . 73 GLU HG1 . 7032 1 789 . 1 1 73 73 GLU HG3 H 1 2.02 0.02 . 2 . . . . 73 GLU HG2 . 7032 1 790 . 1 1 73 73 GLU C C 13 178.32 0.30 . 1 . . . . 73 GLU C . 7032 1 791 . 1 1 73 73 GLU CA C 13 57.57 0.30 . 1 . . . . 73 GLU CA . 7032 1 792 . 1 1 73 73 GLU CB C 13 31.92 0.30 . 1 . . . . 73 GLU CB . 7032 1 793 . 1 1 73 73 GLU CG C 13 37.79 0.30 . 1 . . . . 73 GLU CG . 7032 1 794 . 1 1 73 73 GLU N N 15 120.35 0.30 . 1 . . . . 73 GLU N . 7032 1 795 . 1 1 74 74 ILE H H 1 9.16 0.02 . 1 . . . . 74 ILE HN . 7032 1 796 . 1 1 74 74 ILE HA H 1 4.02 0.02 . 1 . . . . 74 ILE HA . 7032 1 797 . 1 1 74 74 ILE HB H 1 1.86 0.02 . 1 . . . . 74 ILE HB . 7032 1 798 . 1 1 74 74 ILE HG12 H 1 1.30 0.02 . 1 . . . . 74 ILE HG11 . 7032 1 799 . 1 1 74 74 ILE HG13 H 1 1.30 0.02 . 1 . . . . 74 ILE HG12 . 7032 1 800 . 1 1 74 74 ILE HG21 H 1 0.93 0.02 . 1 . . . . 74 ILE HG2 . 7032 1 801 . 1 1 74 74 ILE HG22 H 1 0.93 0.02 . 1 . . . . 74 ILE HG2 . 7032 1 802 . 1 1 74 74 ILE HG23 H 1 0.93 0.02 . 1 . . . . 74 ILE HG2 . 7032 1 803 . 1 1 74 74 ILE HD11 H 1 0.80 0.02 . 1 . . . . 74 ILE HD1 . 7032 1 804 . 1 1 74 74 ILE HD12 H 1 0.80 0.02 . 1 . . . . 74 ILE HD1 . 7032 1 805 . 1 1 74 74 ILE HD13 H 1 0.80 0.02 . 1 . . . . 74 ILE HD1 . 7032 1 806 . 1 1 74 74 ILE C C 13 175.08 0.30 . 1 . . . . 74 ILE C . 7032 1 807 . 1 1 74 74 ILE CA C 13 64.56 0.30 . 1 . . . . 74 ILE CA . 7032 1 808 . 1 1 74 74 ILE CB C 13 38.94 0.30 . 1 . . . . 74 ILE CB . 7032 1 809 . 1 1 74 74 ILE CG1 C 13 27.30 0.30 . 1 . . . . 74 ILE CG1 . 7032 1 810 . 1 1 74 74 ILE CG2 C 13 19.32 0.30 . 1 . . . . 74 ILE CG2 . 7032 1 811 . 1 1 74 74 ILE CD1 C 13 13.69 0.30 . 1 . . . . 74 ILE CD1 . 7032 1 812 . 1 1 74 74 ILE N N 15 114.83 0.30 . 1 . . . . 74 ILE N . 7032 1 813 . 1 1 75 75 ARG H H 1 7.48 0.02 . 1 . . . . 75 ARG HN . 7032 1 814 . 1 1 75 75 ARG HA H 1 4.35 0.02 . 1 . . . . 75 ARG HA . 7032 1 815 . 1 1 75 75 ARG HB2 H 1 1.23 0.02 . 2 . . . . 75 ARG HB1 . 7032 1 816 . 1 1 75 75 ARG HB3 H 1 1.73 0.02 . 2 . . . . 75 ARG HB2 . 7032 1 817 . 1 1 75 75 ARG HG2 H 1 0.93 0.02 . 2 . . . . 75 ARG HG1 . 7032 1 818 . 1 1 75 75 ARG HG3 H 1 1.24 0.02 . 2 . . . . 75 ARG HG2 . 7032 1 819 . 1 1 75 75 ARG HD2 H 1 2.60 0.02 . 2 . . . . 75 ARG HD1 . 7032 1 820 . 1 1 75 75 ARG HD3 H 1 2.83 0.02 . 2 . . . . 75 ARG HD2 . 7032 1 821 . 1 1 75 75 ARG CA C 13 54.10 0.30 . 1 . . . . 75 ARG CA . 7032 1 822 . 1 1 75 75 ARG CB C 13 28.86 0.30 . 1 . . . . 75 ARG CB . 7032 1 823 . 1 1 75 75 ARG CG C 13 25.41 0.30 . 1 . . . . 75 ARG CG . 7032 1 824 . 1 1 75 75 ARG CD C 13 43.98 0.30 . 1 . . . . 75 ARG CD . 7032 1 825 . 1 1 75 75 ARG N N 15 112.92 0.30 . 1 . . . . 75 ARG N . 7032 1 826 . 1 1 76 76 PRO HA H 1 4.21 0.02 . 1 . . . . 76 PRO HA . 7032 1 827 . 1 1 76 76 PRO HB2 H 1 1.32 0.02 . 2 . . . . 76 PRO HB1 . 7032 1 828 . 1 1 76 76 PRO HB3 H 1 1.69 0.02 . 2 . . . . 76 PRO HB2 . 7032 1 829 . 1 1 76 76 PRO HG2 H 1 1.18 0.02 . 2 . . . . 76 PRO HG1 . 7032 1 830 . 1 1 76 76 PRO HG3 H 1 1.60 0.02 . 2 . . . . 76 PRO HG2 . 7032 1 831 . 1 1 76 76 PRO HD2 H 1 2.56 0.02 . 2 . . . . 76 PRO HD1 . 7032 1 832 . 1 1 76 76 PRO HD3 H 1 2.66 0.02 . 2 . . . . 76 PRO HD2 . 7032 1 833 . 1 1 76 76 PRO C C 13 174.97 0.30 . 1 . . . . 76 PRO C . 7032 1 834 . 1 1 76 76 PRO CA C 13 63.41 0.30 . 1 . . . . 76 PRO CA . 7032 1 835 . 1 1 76 76 PRO CB C 13 32.54 0.30 . 1 . . . . 76 PRO CB . 7032 1 836 . 1 1 76 76 PRO CG C 13 28.33 0.30 . 1 . . . . 76 PRO CG . 7032 1 837 . 1 1 76 76 PRO CD C 13 49.58 0.30 . 1 . . . . 76 PRO CD . 7032 1 838 . 1 1 77 77 TRP H H 1 9.46 0.02 . 1 . . . . 77 TRP HN . 7032 1 839 . 1 1 77 77 TRP HA H 1 5.38 0.02 . 1 . . . . 77 TRP HA . 7032 1 840 . 1 1 77 77 TRP HB2 H 1 3.29 0.02 . 2 . . . . 77 TRP HB1 . 7032 1 841 . 1 1 77 77 TRP HB3 H 1 3.58 0.02 . 2 . . . . 77 TRP HB2 . 7032 1 842 . 1 1 77 77 TRP HD1 H 1 7.55 0.02 . 1 . . . . 77 TRP HD1 . 7032 1 843 . 1 1 77 77 TRP HE1 H 1 10.37 0.02 . 1 . . . . 77 TRP HE1 . 7032 1 844 . 1 1 77 77 TRP HE3 H 1 6.99 0.02 . 4 . . . . 77 TRP HE3 . 7032 1 845 . 1 1 77 77 TRP HZ2 H 1 7.08 0.02 . 4 . . . . 77 TRP HZ2 . 7032 1 846 . 1 1 77 77 TRP HH2 H 1 7.05 0.02 . 1 . . . . 77 TRP HH2 . 7032 1 847 . 1 1 77 77 TRP C C 13 172.56 0.30 . 1 . . . . 77 TRP C . 7032 1 848 . 1 1 77 77 TRP CA C 13 56.49 0.30 . 1 . . . . 77 TRP CA . 7032 1 849 . 1 1 77 77 TRP CB C 13 34.28 0.30 . 1 . . . . 77 TRP CB . 7032 1 850 . 1 1 77 77 TRP CD1 C 13 128.83 0.30 . 1 . . . . 77 TRP CD1 . 7032 1 851 . 1 1 77 77 TRP N N 15 124.09 0.30 . 1 . . . . 77 TRP N . 7032 1 852 . 1 1 77 77 TRP NE1 N 15 129.87 0.30 . 1 . . . . 77 TRP NE1 . 7032 1 853 . 1 1 78 78 CYS H H 1 8.69 0.02 . 1 . . . . 78 CYS HN . 7032 1 854 . 1 1 78 78 CYS HA H 1 4.24 0.02 . 1 . . . . 78 CYS HA . 7032 1 855 . 1 1 78 78 CYS HB2 H 1 2.88 0.02 . 2 . . . . 78 CYS HB1 . 7032 1 856 . 1 1 78 78 CYS HB3 H 1 3.37 0.02 . 2 . . . . 78 CYS HB2 . 7032 1 857 . 1 1 78 78 CYS C C 13 174.78 0.30 . 1 . . . . 78 CYS C . 7032 1 858 . 1 1 78 78 CYS CA C 13 55.69 0.30 . 1 . . . . 78 CYS CA . 7032 1 859 . 1 1 78 78 CYS CB C 13 42.59 0.30 . 1 . . . . 78 CYS CB . 7032 1 860 . 1 1 78 78 CYS N N 15 110.49 0.30 . 1 . . . . 78 CYS N . 7032 1 861 . 1 1 79 79 TYR H H 1 7.97 0.02 . 1 . . . . 79 TYR HN . 7032 1 862 . 1 1 79 79 TYR HA H 1 5.45 0.02 . 1 . . . . 79 TYR HA . 7032 1 863 . 1 1 79 79 TYR HB2 H 1 2.21 0.02 . 2 . . . . 79 TYR HB1 . 7032 1 864 . 1 1 79 79 TYR HB3 H 1 2.96 0.02 . 2 . . . . 79 TYR HB2 . 7032 1 865 . 1 1 79 79 TYR HD1 H 1 6.72 0.02 . 3 . . . . 79 TYR HD1 . 7032 1 866 . 1 1 79 79 TYR HE1 H 1 6.46 0.02 . 3 . . . . 79 TYR HE1 . 7032 1 867 . 1 1 79 79 TYR C C 13 177.08 0.30 . 1 . . . . 79 TYR C . 7032 1 868 . 1 1 79 79 TYR CA C 13 59.75 0.30 . 1 . . . . 79 TYR CA . 7032 1 869 . 1 1 79 79 TYR CB C 13 37.61 0.30 . 1 . . . . 79 TYR CB . 7032 1 870 . 1 1 79 79 TYR N N 15 121.83 0.30 . 1 . . . . 79 TYR N . 7032 1 871 . 1 1 80 80 THR H H 1 7.80 0.02 . 1 . . . . 80 THR HN . 7032 1 872 . 1 1 80 80 THR HA H 1 5.29 0.02 . 1 . . . . 80 THR HA . 7032 1 873 . 1 1 80 80 THR HB H 1 4.15 0.02 . 1 . . . . 80 THR HB . 7032 1 874 . 1 1 80 80 THR HG1 H 1 6.09 0.02 . 1 . . . . 80 THR HG1 . 7032 1 875 . 1 1 80 80 THR HG21 H 1 1.10 0.02 . 1 . . . . 80 THR HG2 . 7032 1 876 . 1 1 80 80 THR HG22 H 1 1.10 0.02 . 1 . . . . 80 THR HG2 . 7032 1 877 . 1 1 80 80 THR HG23 H 1 1.10 0.02 . 1 . . . . 80 THR HG2 . 7032 1 878 . 1 1 80 80 THR C C 13 173.19 0.30 . 1 . . . . 80 THR C . 7032 1 879 . 1 1 80 80 THR CA C 13 61.00 0.30 . 1 . . . . 80 THR CA . 7032 1 880 . 1 1 80 80 THR CB C 13 71.09 0.30 . 1 . . . . 80 THR CB . 7032 1 881 . 1 1 80 80 THR CG2 C 13 21.93 0.30 . 1 . . . . 80 THR CG2 . 7032 1 882 . 1 1 80 80 THR N N 15 111.77 0.30 . 1 . . . . 80 THR N . 7032 1 883 . 1 1 81 81 MET H H 1 8.22 0.02 . 1 . . . . 81 MET HN . 7032 1 884 . 1 1 81 81 MET HA H 1 4.54 0.02 . 1 . . . . 81 MET HA . 7032 1 885 . 1 1 81 81 MET HB2 H 1 1.91 0.02 . 2 . . . . 81 MET HB1 . 7032 1 886 . 1 1 81 81 MET HB3 H 1 2.23 0.02 . 2 . . . . 81 MET HB2 . 7032 1 887 . 1 1 81 81 MET HG2 H 1 2.13 0.02 . 2 . . . . 81 MET HG1 . 7032 1 888 . 1 1 81 81 MET HG3 H 1 2.50 0.02 . 2 . . . . 81 MET HG2 . 7032 1 889 . 1 1 81 81 MET HE1 H 1 2.07 0.02 . 1 . . . . 81 MET HE . 7032 1 890 . 1 1 81 81 MET HE2 H 1 2.07 0.02 . 1 . . . . 81 MET HE . 7032 1 891 . 1 1 81 81 MET HE3 H 1 2.07 0.02 . 1 . . . . 81 MET HE . 7032 1 892 . 1 1 81 81 MET C C 13 176.87 0.30 . 1 . . . . 81 MET C . 7032 1 893 . 1 1 81 81 MET CA C 13 54.10 0.30 . 1 . . . . 81 MET CA . 7032 1 894 . 1 1 81 81 MET CB C 13 30.66 0.30 . 1 . . . . 81 MET CB . 7032 1 895 . 1 1 81 81 MET CG C 13 32.31 0.30 . 1 . . . . 81 MET CG . 7032 1 896 . 1 1 81 81 MET CE C 13 15.82 0.30 . 1 . . . . 81 MET CE . 7032 1 897 . 1 1 81 81 MET N N 15 112.25 0.30 . 1 . . . . 81 MET N . 7032 1 898 . 1 1 82 82 ASP H H 1 8.97 0.02 . 1 . . . . 82 ASP HN . 7032 1 899 . 1 1 82 82 ASP HA H 1 4.97 0.02 . 1 . . . . 82 ASP HA . 7032 1 900 . 1 1 82 82 ASP HB2 H 1 2.53 0.02 . 2 . . . . 82 ASP HB1 . 7032 1 901 . 1 1 82 82 ASP HB3 H 1 3.16 0.02 . 2 . . . . 82 ASP HB2 . 7032 1 902 . 1 1 82 82 ASP CA C 13 50.50 0.30 . 1 . . . . 82 ASP CA . 7032 1 903 . 1 1 82 82 ASP CB C 13 43.08 0.30 . 1 . . . . 82 ASP CB . 7032 1 904 . 1 1 82 82 ASP N N 15 123.97 0.30 . 1 . . . . 82 ASP N . 7032 1 905 . 1 1 83 83 PRO HA H 1 4.02 0.02 . 1 . . . . 83 PRO HA . 7032 1 906 . 1 1 83 83 PRO HB2 H 1 2.00 0.02 . 2 . . . . 83 PRO HB1 . 7032 1 907 . 1 1 83 83 PRO HB3 H 1 2.32 0.02 . 2 . . . . 83 PRO HB2 . 7032 1 908 . 1 1 83 83 PRO HG2 H 1 1.85 0.02 . 2 . . . . 83 PRO HG1 . 7032 1 909 . 1 1 83 83 PRO HG3 H 1 2.10 0.02 . 2 . . . . 83 PRO HG2 . 7032 1 910 . 1 1 83 83 PRO HD2 H 1 3.94 0.02 . 2 . . . . 83 PRO HD1 . 7032 1 911 . 1 1 83 83 PRO HD3 H 1 4.24 0.02 . 2 . . . . 83 PRO HD2 . 7032 1 912 . 1 1 83 83 PRO C C 13 177.22 0.30 . 1 . . . . 83 PRO C . 7032 1 913 . 1 1 83 83 PRO CA C 13 64.19 0.30 . 1 . . . . 83 PRO CA . 7032 1 914 . 1 1 83 83 PRO CB C 13 32.32 0.30 . 1 . . . . 83 PRO CB . 7032 1 915 . 1 1 83 83 PRO CG C 13 27.52 0.30 . 1 . . . . 83 PRO CG . 7032 1 916 . 1 1 83 83 PRO CD C 13 51.46 0.30 . 1 . . . . 83 PRO CD . 7032 1 917 . 1 1 84 84 SER H H 1 8.76 0.02 . 1 . . . . 84 SER HN . 7032 1 918 . 1 1 84 84 SER HA H 1 4.47 0.02 . 1 . . . . 84 SER HA . 7032 1 919 . 1 1 84 84 SER HB2 H 1 3.90 0.02 . 1 . . . . 84 SER HB1 . 7032 1 920 . 1 1 84 84 SER HB3 H 1 3.90 0.02 . 1 . . . . 84 SER HB2 . 7032 1 921 . 1 1 84 84 SER C C 13 174.03 0.30 . 1 . . . . 84 SER C . 7032 1 922 . 1 1 84 84 SER CA C 13 58.69 0.30 . 1 . . . . 84 SER CA . 7032 1 923 . 1 1 84 84 SER CB C 13 64.19 0.30 . 1 . . . . 84 SER CB . 7032 1 924 . 1 1 84 84 SER N N 15 111.97 0.30 . 1 . . . . 84 SER N . 7032 1 925 . 1 1 85 85 VAL H H 1 7.80 0.02 . 1 . . . . 85 VAL HN . 7032 1 926 . 1 1 85 85 VAL HA H 1 4.09 0.02 . 1 . . . . 85 VAL HA . 7032 1 927 . 1 1 85 85 VAL HB H 1 1.70 0.02 . 1 . . . . 85 VAL HB . 7032 1 928 . 1 1 85 85 VAL HG11 H 1 0.57 0.02 . 2 . . . . 85 VAL HG1 . 7032 1 929 . 1 1 85 85 VAL HG12 H 1 0.57 0.02 . 2 . . . . 85 VAL HG1 . 7032 1 930 . 1 1 85 85 VAL HG13 H 1 0.57 0.02 . 2 . . . . 85 VAL HG1 . 7032 1 931 . 1 1 85 85 VAL HG21 H 1 0.57 0.02 . 2 . . . . 85 VAL HG2 . 7032 1 932 . 1 1 85 85 VAL HG22 H 1 0.57 0.02 . 2 . . . . 85 VAL HG2 . 7032 1 933 . 1 1 85 85 VAL HG23 H 1 0.57 0.02 . 2 . . . . 85 VAL HG2 . 7032 1 934 . 1 1 85 85 VAL C C 13 173.27 0.30 . 1 . . . . 85 VAL C . 7032 1 935 . 1 1 85 85 VAL CA C 13 61.13 0.30 . 1 . . . . 85 VAL CA . 7032 1 936 . 1 1 85 85 VAL CB C 13 33.64 0.30 . 1 . . . . 85 VAL CB . 7032 1 937 . 1 1 85 85 VAL CG1 C 13 21.67 0.30 . 1 . . . . 85 VAL CG1 . 7032 1 938 . 1 1 85 85 VAL CG2 C 13 20.60 0.30 . 1 . . . . 85 VAL CG2 . 7032 1 939 . 1 1 85 85 VAL N N 15 123.57 0.30 . 1 . . . . 85 VAL N . 7032 1 940 . 1 1 86 86 ARG H H 1 8.47 0.02 . 1 . . . . 86 ARG HN . 7032 1 941 . 1 1 86 86 ARG HA H 1 4.11 0.02 . 1 . . . . 86 ARG HA . 7032 1 942 . 1 1 86 86 ARG HB2 H 1 1.61 0.02 . 2 . . . . 86 ARG HB1 . 7032 1 943 . 1 1 86 86 ARG HB3 H 1 1.79 0.02 . 2 . . . . 86 ARG HB2 . 7032 1 944 . 1 1 86 86 ARG HG2 H 1 1.43 0.02 . 2 . . . . 86 ARG HG1 . 7032 1 945 . 1 1 86 86 ARG HG3 H 1 2.04 0.02 . 2 . . . . 86 ARG HG2 . 7032 1 946 . 1 1 86 86 ARG HD2 H 1 3.03 0.02 . 2 . . . . 86 ARG HD1 . 7032 1 947 . 1 1 86 86 ARG HD3 H 1 3.54 0.02 . 2 . . . . 86 ARG HD2 . 7032 1 948 . 1 1 86 86 ARG C C 13 174.75 0.30 . 1 . . . . 86 ARG C . 7032 1 949 . 1 1 86 86 ARG CA C 13 59.79 0.30 . 1 . . . . 86 ARG CA . 7032 1 950 . 1 1 86 86 ARG CB C 13 30.18 0.30 . 1 . . . . 86 ARG CB . 7032 1 951 . 1 1 86 86 ARG CG C 13 28.62 0.30 . 1 . . . . 86 ARG CG . 7032 1 952 . 1 1 86 86 ARG CD C 13 43.47 0.30 . 1 . . . . 86 ARG CD . 7032 1 953 . 1 1 86 86 ARG N N 15 128.35 0.30 . 1 . . . . 86 ARG N . 7032 1 954 . 1 1 87 87 TRP H H 1 7.31 0.02 . 1 . . . . 87 TRP HN . 7032 1 955 . 1 1 87 87 TRP HA H 1 5.33 0.02 . 1 . . . . 87 TRP HA . 7032 1 956 . 1 1 87 87 TRP HB2 H 1 2.65 0.02 . 2 . . . . 87 TRP HB1 . 7032 1 957 . 1 1 87 87 TRP HB3 H 1 3.04 0.02 . 2 . . . . 87 TRP HB2 . 7032 1 958 . 1 1 87 87 TRP HD1 H 1 6.67 0.02 . 1 . . . . 87 TRP HD1 . 7032 1 959 . 1 1 87 87 TRP HE1 H 1 9.60 0.02 . 1 . . . . 87 TRP HE1 . 7032 1 960 . 1 1 87 87 TRP HE3 H 1 6.52 0.02 . 4 . . . . 87 TRP HE3 . 7032 1 961 . 1 1 87 87 TRP HZ2 H 1 6.98 0.02 . 4 . . . . 87 TRP HZ2 . 7032 1 962 . 1 1 87 87 TRP HZ3 H 1 6.91 0.02 . 4 . . . . 87 TRP HZ3 . 7032 1 963 . 1 1 87 87 TRP HH2 H 1 6.80 0.02 . 1 . . . . 87 TRP HH2 . 7032 1 964 . 1 1 87 87 TRP C C 13 173.23 0.30 . 1 . . . . 87 TRP C . 7032 1 965 . 1 1 87 87 TRP CA C 13 55.42 0.30 . 1 . . . . 87 TRP CA . 7032 1 966 . 1 1 87 87 TRP CB C 13 32.05 0.30 . 1 . . . . 87 TRP CB . 7032 1 967 . 1 1 87 87 TRP CD1 C 13 125.03 0.30 . 1 . . . . 87 TRP CD1 . 7032 1 968 . 1 1 87 87 TRP CE3 C 13 123.94 0.30 . 4 . . . . 87 TRP CE3 . 7032 1 969 . 1 1 87 87 TRP CZ2 C 13 114.13 0.30 . 4 . . . . 87 TRP CZ2 . 7032 1 970 . 1 1 87 87 TRP N N 15 109.03 0.30 . 1 . . . . 87 TRP N . 7032 1 971 . 1 1 87 87 TRP NE1 N 15 128.50 0.30 . 1 . . . . 87 TRP NE1 . 7032 1 972 . 1 1 88 88 GLU H H 1 8.57 0.02 . 1 . . . . 88 GLU HN . 7032 1 973 . 1 1 88 88 GLU HA H 1 3.72 0.02 . 1 . . . . 88 GLU HA . 7032 1 974 . 1 1 88 88 GLU HB2 H 1 1.88 0.02 . 2 . . . . 88 GLU HB1 . 7032 1 975 . 1 1 88 88 GLU HB3 H 1 1.98 0.02 . 2 . . . . 88 GLU HB2 . 7032 1 976 . 1 1 88 88 GLU HG2 H 1 1.67 0.02 . 2 . . . . 88 GLU HG1 . 7032 1 977 . 1 1 88 88 GLU HG3 H 1 2.14 0.02 . 2 . . . . 88 GLU HG2 . 7032 1 978 . 1 1 88 88 GLU C C 13 175.42 0.30 . 1 . . . . 88 GLU C . 7032 1 979 . 1 1 88 88 GLU CA C 13 55.05 0.30 . 1 . . . . 88 GLU CA . 7032 1 980 . 1 1 88 88 GLU CB C 13 38.82 0.30 . 1 . . . . 88 GLU CB . 7032 1 981 . 1 1 88 88 GLU CG C 13 38.45 0.30 . 1 . . . . 88 GLU CG . 7032 1 982 . 1 1 88 88 GLU N N 15 117.50 0.30 . 1 . . . . 88 GLU N . 7032 1 983 . 1 1 89 89 TYR H H 1 7.95 0.02 . 1 . . . . 89 TYR HN . 7032 1 984 . 1 1 89 89 TYR HA H 1 4.97 0.02 . 1 . . . . 89 TYR HA . 7032 1 985 . 1 1 89 89 TYR HB2 H 1 2.63 0.02 . 2 . . . . 89 TYR HB1 . 7032 1 986 . 1 1 89 89 TYR HB3 H 1 3.18 0.02 . 2 . . . . 89 TYR HB2 . 7032 1 987 . 1 1 89 89 TYR HD1 H 1 7.28 0.02 . 3 . . . . 89 TYR HD1 . 7032 1 988 . 1 1 89 89 TYR HE1 H 1 6.89 0.02 . 3 . . . . 89 TYR HE1 . 7032 1 989 . 1 1 89 89 TYR CA C 13 58.74 0.30 . 1 . . . . 89 TYR CA . 7032 1 990 . 1 1 89 89 TYR CB C 13 39.04 0.30 . 1 . . . . 89 TYR CB . 7032 1 991 . 1 1 89 89 TYR CD1 C 13 133.73 0.30 . 3 . . . . 89 TYR CD1 . 7032 1 992 . 1 1 89 89 TYR CE1 C 13 117.95 0.30 . 3 . . . . 89 TYR CE1 . 7032 1 993 . 1 1 89 89 TYR N N 15 116.85 0.30 . 1 . . . . 89 TYR N . 7032 1 994 . 1 1 90 90 CYS HB2 H 1 2.95 0.02 . 2 . . . . 90 CYS HB1 . 7032 1 995 . 1 1 90 90 CYS HB3 H 1 3.08 0.02 . 2 . . . . 90 CYS HB2 . 7032 1 996 . 1 1 90 90 CYS C C 13 174.81 0.30 . 1 . . . . 90 CYS C . 7032 1 997 . 1 1 90 90 CYS CB C 13 46.92 0.30 . 1 . . . . 90 CYS CB . 7032 1 998 . 1 1 91 91 ASN H H 1 8.90 0.02 . 1 . . . . 91 ASN HN . 7032 1 999 . 1 1 91 91 ASN HA H 1 4.70 0.02 . 1 . . . . 91 ASN HA . 7032 1 1000 . 1 1 91 91 ASN HB2 H 1 2.28 0.02 . 2 . . . . 91 ASN HB1 . 7032 1 1001 . 1 1 91 91 ASN HB3 H 1 2.95 0.02 . 2 . . . . 91 ASN HB2 . 7032 1 1002 . 1 1 91 91 ASN HD21 H 1 6.85 0.02 . 2 . . . . 91 ASN HD21 . 7032 1 1003 . 1 1 91 91 ASN HD22 H 1 7.54 0.02 . 2 . . . . 91 ASN HD22 . 7032 1 1004 . 1 1 91 91 ASN CA C 13 52.50 0.30 . 1 . . . . 91 ASN CA . 7032 1 1005 . 1 1 91 91 ASN CB C 13 36.83 0.30 . 1 . . . . 91 ASN CB . 7032 1 1006 . 1 1 91 91 ASN N N 15 122.76 0.30 . 1 . . . . 91 ASN N . 7032 1 1007 . 1 1 91 91 ASN ND2 N 15 111.03 0.30 . 1 . . . . 91 ASN ND2 . 7032 1 1008 . 1 1 92 92 LEU H H 1 7.38 0.02 . 1 . . . . 92 LEU HN . 7032 1 1009 . 1 1 92 92 LEU HA H 1 4.60 0.02 . 1 . . . . 92 LEU HA . 7032 1 1010 . 1 1 92 92 LEU HB2 H 1 1.39 0.02 . 2 . . . . 92 LEU HB1 . 7032 1 1011 . 1 1 92 92 LEU HB3 H 1 1.47 0.02 . 2 . . . . 92 LEU HB2 . 7032 1 1012 . 1 1 92 92 LEU HG H 1 1.33 0.02 . 1 . . . . 92 LEU HG . 7032 1 1013 . 1 1 92 92 LEU HD11 H 1 0.24 0.02 . 2 . . . . 92 LEU HD1 . 7032 1 1014 . 1 1 92 92 LEU HD12 H 1 0.24 0.02 . 2 . . . . 92 LEU HD1 . 7032 1 1015 . 1 1 92 92 LEU HD13 H 1 0.24 0.02 . 2 . . . . 92 LEU HD1 . 7032 1 1016 . 1 1 92 92 LEU HD21 H 1 0.49 0.02 . 2 . . . . 92 LEU HD2 . 7032 1 1017 . 1 1 92 92 LEU HD22 H 1 0.49 0.02 . 2 . . . . 92 LEU HD2 . 7032 1 1018 . 1 1 92 92 LEU HD23 H 1 0.49 0.02 . 2 . . . . 92 LEU HD2 . 7032 1 1019 . 1 1 92 92 LEU C C 13 175.54 0.30 . 1 . . . . 92 LEU C . 7032 1 1020 . 1 1 92 92 LEU CA C 13 53.49 0.30 . 1 . . . . 92 LEU CA . 7032 1 1021 . 1 1 92 92 LEU CB C 13 47.52 0.30 . 1 . . . . 92 LEU CB . 7032 1 1022 . 1 1 92 92 LEU CG C 13 26.61 0.30 . 1 . . . . 92 LEU CG . 7032 1 1023 . 1 1 92 92 LEU CD1 C 13 24.61 0.30 . 1 . . . . 92 LEU CD1 . 7032 1 1024 . 1 1 92 92 LEU CD2 C 13 24.88 0.30 . 1 . . . . 92 LEU CD2 . 7032 1 1025 . 1 1 92 92 LEU N N 15 123.34 0.30 . 1 . . . . 92 LEU N . 7032 1 1026 . 1 1 93 93 THR H H 1 8.34 0.02 . 1 . . . . 93 THR HN . 7032 1 1027 . 1 1 93 93 THR HA H 1 4.53 0.02 . 1 . . . . 93 THR HA . 7032 1 1028 . 1 1 93 93 THR HB H 1 4.09 0.02 . 1 . . . . 93 THR HB . 7032 1 1029 . 1 1 93 93 THR HG1 H 1 6.66 0.02 . 1 . . . . 93 THR HG1 . 7032 1 1030 . 1 1 93 93 THR HG21 H 1 1.17 0.02 . 1 . . . . 93 THR HG2 . 7032 1 1031 . 1 1 93 93 THR HG22 H 1 1.17 0.02 . 1 . . . . 93 THR HG2 . 7032 1 1032 . 1 1 93 93 THR HG23 H 1 1.17 0.02 . 1 . . . . 93 THR HG2 . 7032 1 1033 . 1 1 93 93 THR C C 13 173.07 0.30 . 1 . . . . 93 THR C . 7032 1 1034 . 1 1 93 93 THR CA C 13 59.94 0.30 . 1 . . . . 93 THR CA . 7032 1 1035 . 1 1 93 93 THR CB C 13 70.78 0.30 . 1 . . . . 93 THR CB . 7032 1 1036 . 1 1 93 93 THR CG2 C 13 21.69 0.30 . 1 . . . . 93 THR CG2 . 7032 1 1037 . 1 1 93 93 THR N N 15 115.33 0.30 . 1 . . . . 93 THR N . 7032 1 1038 . 1 1 94 94 ARG H H 1 8.18 0.02 . 1 . . . . 94 ARG HN . 7032 1 1039 . 1 1 94 94 ARG HA H 1 3.64 0.02 . 1 . . . . 94 ARG HA . 7032 1 1040 . 1 1 94 94 ARG HB2 H 1 1.41 0.02 . 2 . . . . 94 ARG HB1 . 7032 1 1041 . 1 1 94 94 ARG HB3 H 1 1.52 0.02 . 2 . . . . 94 ARG HB2 . 7032 1 1042 . 1 1 94 94 ARG HG2 H 1 1.45 0.02 . 2 . . . . 94 ARG HG1 . 7032 1 1043 . 1 1 94 94 ARG HG3 H 1 1.49 0.02 . 2 . . . . 94 ARG HG2 . 7032 1 1044 . 1 1 94 94 ARG HD2 H 1 3.14 0.02 . 1 . . . . 94 ARG HD1 . 7032 1 1045 . 1 1 94 94 ARG HD3 H 1 3.14 0.02 . 1 . . . . 94 ARG HD2 . 7032 1 1046 . 1 1 94 94 ARG C C 13 178.00 0.30 . 1 . . . . 94 ARG C . 7032 1 1047 . 1 1 94 94 ARG CA C 13 55.39 0.30 . 1 . . . . 94 ARG CA . 7032 1 1048 . 1 1 94 94 ARG CB C 13 30.68 0.30 . 1 . . . . 94 ARG CB . 7032 1 1049 . 1 1 94 94 ARG CG C 13 27.21 0.30 . 1 . . . . 94 ARG CG . 7032 1 1050 . 1 1 94 94 ARG CD C 13 43.87 0.30 . 1 . . . . 94 ARG CD . 7032 1 1051 . 1 1 94 94 ARG N N 15 123.25 0.30 . 1 . . . . 94 ARG N . 7032 1 1052 . 1 1 95 95 CYS H H 1 9.11 0.02 . 1 . . . . 95 CYS HN . 7032 1 1053 . 1 1 95 95 CYS HA H 1 4.60 0.02 . 1 . . . . 95 CYS HA . 7032 1 1054 . 1 1 95 95 CYS HB2 H 1 2.37 0.02 . 2 . . . . 95 CYS HB1 . 7032 1 1055 . 1 1 95 95 CYS HB3 H 1 3.20 0.02 . 2 . . . . 95 CYS HB2 . 7032 1 1056 . 1 1 95 95 CYS CA C 13 52.76 0.30 . 1 . . . . 95 CYS CA . 7032 1 1057 . 1 1 95 95 CYS CB C 13 37.89 0.30 . 1 . . . . 95 CYS CB . 7032 1 1058 . 1 1 95 95 CYS N N 15 125.89 0.30 . 1 . . . . 95 CYS N . 7032 1 1059 . 1 1 96 96 PRO HA H 1 4.43 0.02 . 1 . . . . 96 PRO HA . 7032 1 1060 . 1 1 96 96 PRO HB2 H 1 1.87 0.02 . 2 . . . . 96 PRO HB1 . 7032 1 1061 . 1 1 96 96 PRO HB3 H 1 2.25 0.02 . 2 . . . . 96 PRO HB2 . 7032 1 1062 . 1 1 96 96 PRO HG2 H 1 2.01 0.02 . 1 . . . . 96 PRO HG1 . 7032 1 1063 . 1 1 96 96 PRO HG3 H 1 2.01 0.02 . 1 . . . . 96 PRO HG2 . 7032 1 1064 . 1 1 96 96 PRO HD2 H 1 3.63 0.02 . 2 . . . . 96 PRO HD1 . 7032 1 1065 . 1 1 96 96 PRO HD3 H 1 3.82 0.02 . 2 . . . . 96 PRO HD2 . 7032 1 1066 . 1 1 96 96 PRO C C 13 176.54 0.30 . 1 . . . . 96 PRO C . 7032 1 1067 . 1 1 96 96 PRO CA C 13 62.86 0.30 . 1 . . . . 96 PRO CA . 7032 1 1068 . 1 1 96 96 PRO CB C 13 32.14 0.30 . 1 . . . . 96 PRO CB . 7032 1 1069 . 1 1 96 96 PRO CG C 13 27.34 0.30 . 1 . . . . 96 PRO CG . 7032 1 1070 . 1 1 96 96 PRO CD C 13 50.66 0.30 . 1 . . . . 96 PRO CD . 7032 1 1071 . 1 1 97 97 VAL H H 1 8.33 0.02 . 1 . . . . 97 VAL HN . 7032 1 1072 . 1 1 97 97 VAL HA H 1 4.12 0.02 . 1 . . . . 97 VAL HA . 7032 1 1073 . 1 1 97 97 VAL HB H 1 2.04 0.02 . 1 . . . . 97 VAL HB . 7032 1 1074 . 1 1 97 97 VAL HG11 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 7032 1 1075 . 1 1 97 97 VAL HG12 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 7032 1 1076 . 1 1 97 97 VAL HG13 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 7032 1 1077 . 1 1 97 97 VAL HG21 H 1 0.91 0.02 . 2 . . . . 97 VAL HG2 . 7032 1 1078 . 1 1 97 97 VAL HG22 H 1 0.91 0.02 . 2 . . . . 97 VAL HG2 . 7032 1 1079 . 1 1 97 97 VAL HG23 H 1 0.91 0.02 . 2 . . . . 97 VAL HG2 . 7032 1 1080 . 1 1 97 97 VAL C C 13 176.42 0.30 . 1 . . . . 97 VAL C . 7032 1 1081 . 1 1 97 97 VAL CA C 13 62.06 0.30 . 1 . . . . 97 VAL CA . 7032 1 1082 . 1 1 97 97 VAL CB C 13 32.87 0.30 . 1 . . . . 97 VAL CB . 7032 1 1083 . 1 1 97 97 VAL CG1 C 13 20.61 0.30 . 1 . . . . 97 VAL CG1 . 7032 1 1084 . 1 1 97 97 VAL CG2 C 13 21.43 0.30 . 1 . . . . 97 VAL CG2 . 7032 1 1085 . 1 1 97 97 VAL N N 15 121.12 0.30 . 1 . . . . 97 VAL N . 7032 1 1086 . 1 1 98 98 THR H H 1 8.16 0.02 . 1 . . . . 98 THR HN . 7032 1 1087 . 1 1 98 98 THR HA H 1 4.40 0.02 . 1 . . . . 98 THR HA . 7032 1 1088 . 1 1 98 98 THR HB H 1 4.22 0.02 . 1 . . . . 98 THR HB . 7032 1 1089 . 1 1 98 98 THR HG21 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 7032 1 1090 . 1 1 98 98 THR HG22 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 7032 1 1091 . 1 1 98 98 THR HG23 H 1 1.18 0.02 . 1 . . . . 98 THR HG2 . 7032 1 1092 . 1 1 98 98 THR C C 13 174.41 0.30 . 1 . . . . 98 THR C . 7032 1 1093 . 1 1 98 98 THR CA C 13 61.84 0.30 . 1 . . . . 98 THR CA . 7032 1 1094 . 1 1 98 98 THR CB C 13 69.74 0.30 . 1 . . . . 98 THR CB . 7032 1 1095 . 1 1 98 98 THR CG2 C 13 21.61 0.30 . 1 . . . . 98 THR CG2 . 7032 1 1096 . 1 1 98 98 THR N N 15 117.84 0.30 . 1 . . . . 98 THR N . 7032 1 1097 . 1 1 99 99 GLU HA H 1 4.30 0.02 . 1 . . . . 99 GLU HA . 7032 1 1098 . 1 1 99 99 GLU HB2 H 1 1.91 0.02 . 2 . . . . 99 GLU HB1 . 7032 1 1099 . 1 1 99 99 GLU HB3 H 1 2.03 0.02 . 2 . . . . 99 GLU HB2 . 7032 1 1100 . 1 1 99 99 GLU HG2 H 1 2.23 0.02 . 1 . . . . 99 GLU HG1 . 7032 1 1101 . 1 1 99 99 GLU HG3 H 1 2.23 0.02 . 1 . . . . 99 GLU HG2 . 7032 1 1102 . 1 1 99 99 GLU C C 13 176.34 0.30 . 1 . . . . 99 GLU C . 7032 1 1103 . 1 1 99 99 GLU CA C 13 56.72 0.30 . 1 . . . . 99 GLU CA . 7032 1 1104 . 1 1 99 99 GLU CB C 13 30.32 0.30 . 1 . . . . 99 GLU CB . 7032 1 1105 . 1 1 99 99 GLU CG C 13 36.27 0.30 . 1 . . . . 99 GLU CG . 7032 1 1106 . 1 1 99 99 GLU N N 15 123.14 0.30 . 1 . . . . 99 GLU N . 7032 1 1107 . 1 1 100 100 SER H H 1 8.36 0.02 . 1 . . . . 100 SER HN . 7032 1 1108 . 1 1 100 100 SER HA H 1 4.49 0.02 . 1 . . . . 100 SER HA . 7032 1 1109 . 1 1 100 100 SER HB2 H 1 3.89 0.02 . 1 . . . . 100 SER HB1 . 7032 1 1110 . 1 1 100 100 SER HB3 H 1 3.89 0.02 . 1 . . . . 100 SER HB2 . 7032 1 1111 . 1 1 100 100 SER C C 13 174.49 0.30 . 1 . . . . 100 SER C . 7032 1 1112 . 1 1 100 100 SER CA C 13 58.17 0.30 . 1 . . . . 100 SER CA . 7032 1 1113 . 1 1 100 100 SER CB C 13 64.08 0.30 . 1 . . . . 100 SER CB . 7032 1 1114 . 1 1 100 100 SER N N 15 116.75 0.30 . 1 . . . . 100 SER N . 7032 1 1115 . 1 1 101 101 SER H H 1 8.39 0.02 . 1 . . . . 101 SER HN . 7032 1 1116 . 1 1 101 101 SER HA H 1 4.49 0.02 . 1 . . . . 101 SER HA . 7032 1 1117 . 1 1 101 101 SER HB2 H 1 3.85 0.02 . 1 . . . . 101 SER HB1 . 7032 1 1118 . 1 1 101 101 SER HB3 H 1 3.85 0.02 . 1 . . . . 101 SER HB2 . 7032 1 1119 . 1 1 101 101 SER C C 13 173.62 0.30 . 1 . . . . 101 SER C . 7032 1 1120 . 1 1 101 101 SER CA C 13 58.49 0.30 . 1 . . . . 101 SER CA . 7032 1 1121 . 1 1 101 101 SER CB C 13 63.68 0.30 . 1 . . . . 101 SER CB . 7032 1 1122 . 1 1 101 101 SER N N 15 118.87 0.30 . 1 . . . . 101 SER N . 7032 1 1123 . 1 1 102 102 VAL H H 1 7.71 0.02 . 1 . . . . 102 VAL HN . 7032 1 1124 . 1 1 102 102 VAL HA H 1 4.04 0.02 . 1 . . . . 102 VAL HA . 7032 1 1125 . 1 1 102 102 VAL HB H 1 2.06 0.02 . 1 . . . . 102 VAL HB . 7032 1 1126 . 1 1 102 102 VAL HG11 H 1 0.84 0.02 . 2 . . . . 102 VAL HG1 . 7032 1 1127 . 1 1 102 102 VAL HG12 H 1 0.84 0.02 . 2 . . . . 102 VAL HG1 . 7032 1 1128 . 1 1 102 102 VAL HG13 H 1 0.84 0.02 . 2 . . . . 102 VAL HG1 . 7032 1 1129 . 1 1 102 102 VAL HG21 H 1 0.87 0.02 . 2 . . . . 102 VAL HG2 . 7032 1 1130 . 1 1 102 102 VAL HG22 H 1 0.87 0.02 . 2 . . . . 102 VAL HG2 . 7032 1 1131 . 1 1 102 102 VAL HG23 H 1 0.87 0.02 . 2 . . . . 102 VAL HG2 . 7032 1 1132 . 1 1 102 102 VAL CA C 13 63.62 0.30 . 1 . . . . 102 VAL CA . 7032 1 1133 . 1 1 102 102 VAL CB C 13 33.35 0.30 . 1 . . . . 102 VAL CB . 7032 1 1134 . 1 1 102 102 VAL CG1 C 13 19.82 0.30 . 1 . . . . 102 VAL CG1 . 7032 1 1135 . 1 1 102 102 VAL CG2 C 13 21.41 0.30 . 1 . . . . 102 VAL CG2 . 7032 1 1136 . 1 1 102 102 VAL N N 15 125.03 0.30 . 1 . . . . 102 VAL N . 7032 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 436 7032 1 2 512 7032 1 2 513 7032 1 3 844 7032 1 3 845 7032 1 4 960 7032 1 4 961 7032 1 4 962 7032 1 5 968 7032 1 5 969 7032 1 stop_ save_