data_5982 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5982 _Entry.Title ; Complete 1H, 13C and 15N assignments of a monomeric, biologically active apolipoprotein E carboxyl-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-23 _Entry.Accession_date 2003-10-23 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Daping Fan . . . 5982 2 Leslie Korando . A. . 5982 3 Robin Dothager . S. . 5982 4 Qianqian Li . . . 5982 5 Jianjun Wang . . . 5982 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5982 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 5982 '15N chemical shifts' 95 5982 '1H chemical shifts' 638 5982 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 . . 2004-07-06 2003-10-23 original author . 5982 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5982 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213448 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete 1H, 13C and 15N assignments of a monomeric, biologically active apolipoprotein E carboxyl-terminal domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 419 _Citation.Page_last 420 _Citation.Year 2004 _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 Daping Fan . . . 5982 1 2 Leslie Korando . A. . 5982 1 3 Robin Dothager . S. . 5982 1 4 Qianqian Li . . . 5982 1 5 Jianjun Wang . . . 5982 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'apolipoprotein E' 5982 1 'carboxyl-terminal domain' 5982 1 'NMR assignment' 5982 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_apoE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_apoE _Assembly.Entry_ID 5982 _Assembly.ID 1 _Assembly.Name apolipoprotein _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5982 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 'apoE C-terminal domain' 1 $apoE . . . native . . . . . 5982 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID apoE abbreviation 5982 1 apolipoprotein system 5982 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'human lipoprotein metabolism' 5982 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apoE _Entity.Sf_category entity _Entity.Sf_framecode apoE _Entity.Entry_ID 5982 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'apolipoprotein E' _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 ; GQPLQERAQAWGERLRARME EMGSRTRDRLDEVKEQVAEV RAKLEEQAQQIRLQAEAAQA RLKSRFEPLAEDMQRQWAGQ VEKVQAAEGTSAAPVPSDNH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 BMRB 15744 . Apolipoprotein_E . . . . . 100.00 308 100.00 100.00 2.67e-59 . . . . 5982 1 no PDB 2L7B . "Nmr Structure Of Full Length Apoe3" . . . . . 100.00 307 100.00 100.00 3.03e-59 . . . . 5982 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apoE abbreviation 5982 1 'apolipoprotein E' common 5982 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5982 1 2 . GLN . 5982 1 3 . PRO . 5982 1 4 . LEU . 5982 1 5 . GLN . 5982 1 6 . GLU . 5982 1 7 . ARG . 5982 1 8 . ALA . 5982 1 9 . GLN . 5982 1 10 . ALA . 5982 1 11 . TRP . 5982 1 12 . GLY . 5982 1 13 . GLU . 5982 1 14 . ARG . 5982 1 15 . LEU . 5982 1 16 . ARG . 5982 1 17 . ALA . 5982 1 18 . ARG . 5982 1 19 . MET . 5982 1 20 . GLU . 5982 1 21 . GLU . 5982 1 22 . MET . 5982 1 23 . GLY . 5982 1 24 . SER . 5982 1 25 . ARG . 5982 1 26 . THR . 5982 1 27 . ARG . 5982 1 28 . ASP . 5982 1 29 . ARG . 5982 1 30 . LEU . 5982 1 31 . ASP . 5982 1 32 . GLU . 5982 1 33 . VAL . 5982 1 34 . LYS . 5982 1 35 . GLU . 5982 1 36 . GLN . 5982 1 37 . VAL . 5982 1 38 . ALA . 5982 1 39 . GLU . 5982 1 40 . VAL . 5982 1 41 . ARG . 5982 1 42 . ALA . 5982 1 43 . LYS . 5982 1 44 . LEU . 5982 1 45 . GLU . 5982 1 46 . GLU . 5982 1 47 . GLN . 5982 1 48 . ALA . 5982 1 49 . GLN . 5982 1 50 . GLN . 5982 1 51 . ILE . 5982 1 52 . ARG . 5982 1 53 . LEU . 5982 1 54 . GLN . 5982 1 55 . ALA . 5982 1 56 . GLU . 5982 1 57 . ALA . 5982 1 58 . ALA . 5982 1 59 . GLN . 5982 1 60 . ALA . 5982 1 61 . ARG . 5982 1 62 . LEU . 5982 1 63 . LYS . 5982 1 64 . SER . 5982 1 65 . ARG . 5982 1 66 . PHE . 5982 1 67 . GLU . 5982 1 68 . PRO . 5982 1 69 . LEU . 5982 1 70 . ALA . 5982 1 71 . GLU . 5982 1 72 . ASP . 5982 1 73 . MET . 5982 1 74 . GLN . 5982 1 75 . ARG . 5982 1 76 . GLN . 5982 1 77 . TRP . 5982 1 78 . ALA . 5982 1 79 . GLY . 5982 1 80 . GLN . 5982 1 81 . VAL . 5982 1 82 . GLU . 5982 1 83 . LYS . 5982 1 84 . VAL . 5982 1 85 . GLN . 5982 1 86 . ALA . 5982 1 87 . ALA . 5982 1 88 . GLU . 5982 1 89 . GLY . 5982 1 90 . THR . 5982 1 91 . SER . 5982 1 92 . ALA . 5982 1 93 . ALA . 5982 1 94 . PRO . 5982 1 95 . VAL . 5982 1 96 . PRO . 5982 1 97 . SER . 5982 1 98 . ASP . 5982 1 99 . ASN . 5982 1 100 . HIS . 5982 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5982 1 . GLN 2 2 5982 1 . PRO 3 3 5982 1 . LEU 4 4 5982 1 . GLN 5 5 5982 1 . GLU 6 6 5982 1 . ARG 7 7 5982 1 . ALA 8 8 5982 1 . GLN 9 9 5982 1 . ALA 10 10 5982 1 . TRP 11 11 5982 1 . GLY 12 12 5982 1 . GLU 13 13 5982 1 . ARG 14 14 5982 1 . LEU 15 15 5982 1 . ARG 16 16 5982 1 . ALA 17 17 5982 1 . ARG 18 18 5982 1 . MET 19 19 5982 1 . GLU 20 20 5982 1 . GLU 21 21 5982 1 . MET 22 22 5982 1 . GLY 23 23 5982 1 . SER 24 24 5982 1 . ARG 25 25 5982 1 . THR 26 26 5982 1 . ARG 27 27 5982 1 . ASP 28 28 5982 1 . ARG 29 29 5982 1 . LEU 30 30 5982 1 . ASP 31 31 5982 1 . GLU 32 32 5982 1 . VAL 33 33 5982 1 . LYS 34 34 5982 1 . GLU 35 35 5982 1 . GLN 36 36 5982 1 . VAL 37 37 5982 1 . ALA 38 38 5982 1 . GLU 39 39 5982 1 . VAL 40 40 5982 1 . ARG 41 41 5982 1 . ALA 42 42 5982 1 . LYS 43 43 5982 1 . LEU 44 44 5982 1 . GLU 45 45 5982 1 . GLU 46 46 5982 1 . GLN 47 47 5982 1 . ALA 48 48 5982 1 . GLN 49 49 5982 1 . GLN 50 50 5982 1 . ILE 51 51 5982 1 . ARG 52 52 5982 1 . LEU 53 53 5982 1 . GLN 54 54 5982 1 . ALA 55 55 5982 1 . GLU 56 56 5982 1 . ALA 57 57 5982 1 . ALA 58 58 5982 1 . GLN 59 59 5982 1 . ALA 60 60 5982 1 . ARG 61 61 5982 1 . LEU 62 62 5982 1 . LYS 63 63 5982 1 . SER 64 64 5982 1 . ARG 65 65 5982 1 . PHE 66 66 5982 1 . GLU 67 67 5982 1 . PRO 68 68 5982 1 . LEU 69 69 5982 1 . ALA 70 70 5982 1 . GLU 71 71 5982 1 . ASP 72 72 5982 1 . MET 73 73 5982 1 . GLN 74 74 5982 1 . ARG 75 75 5982 1 . GLN 76 76 5982 1 . TRP 77 77 5982 1 . ALA 78 78 5982 1 . GLY 79 79 5982 1 . GLN 80 80 5982 1 . VAL 81 81 5982 1 . GLU 82 82 5982 1 . LYS 83 83 5982 1 . VAL 84 84 5982 1 . GLN 85 85 5982 1 . ALA 86 86 5982 1 . ALA 87 87 5982 1 . GLU 88 88 5982 1 . GLY 89 89 5982 1 . THR 90 90 5982 1 . SER 91 91 5982 1 . ALA 92 92 5982 1 . ALA 93 93 5982 1 . PRO 94 94 5982 1 . VAL 95 95 5982 1 . PRO 96 96 5982 1 . SER 97 97 5982 1 . ASP 98 98 5982 1 . ASN 99 99 5982 1 . HIS 100 100 5982 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 5982 _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 $apoE . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5982 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 5982 _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 $apoE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5982 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5982 _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 'apolipoprotein E' . . . 1 $apoE . . 1 . . mM . . . . 5982 1 2 'phosphate buffer' . . . . . . . 200 . . mM . . . . 5982 1 3 NaN3 . . . . . . . 0.01 . . % . . . . 5982 1 4 TFE . . . . . . . 30 . . % . . . . 5982 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5982 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 5982 1 pH 5.7 0.1 n/a 5982 1 temperature 283 0.2 K 5982 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5982 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5982 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN INOVA . 500 . . . 5982 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5982 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5982 _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 . . . . . . . . . 5982 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5982 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5982 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5982 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5982 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 GLY CA C 13 42.710 0.05 . . . . . . . . . . 5982 1 2 . 1 1 1 1 GLY C C 13 173.640 0.05 . . . . . . . . . . 5982 1 3 . 1 1 2 2 GLN N N 15 120.260 0.05 . . . . . . . . . . 5982 1 4 . 1 1 2 2 GLN H H 1 8.511 0.02 . . . . . . . . . . 5982 1 5 . 1 1 2 2 GLN CA C 13 53.440 0.05 . . . . . . . . . . 5982 1 6 . 1 1 2 2 GLN HA H 1 4.500 0.02 . . . . . . . . . . 5982 1 7 . 1 1 2 2 GLN CB C 13 28.740 0.05 . . . . . . . . . . 5982 1 8 . 1 1 2 2 GLN HB2 H 1 1.740 0.02 . . . . . . . . . . 5982 1 9 . 1 1 2 2 GLN HB3 H 1 1.710 0.02 . . . . . . . . . . 5982 1 10 . 1 1 2 2 GLN HG2 H 1 2.200 0.02 . . . . . . . . . . 5982 1 11 . 1 1 2 2 GLN HG3 H 1 2.190 0.02 . . . . . . . . . . 5982 1 12 . 1 1 2 2 GLN HE21 H 1 8.440 0.02 . . . . . . . . . . 5982 1 13 . 1 1 2 2 GLN HE22 H 1 7.870 0.02 . . . . . . . . . . 5982 1 14 . 1 1 3 3 PRO CA C 13 63.630 0.05 . . . . . . . . . . 5982 1 15 . 1 1 3 3 PRO HA H 1 4.210 0.02 . . . . . . . . . . 5982 1 16 . 1 1 3 3 PRO CB C 13 31.450 0.05 . . . . . . . . . . 5982 1 17 . 1 1 3 3 PRO HB2 H 1 2.150 0.02 . . . . . . . . . . 5982 1 18 . 1 1 3 3 PRO HB3 H 1 2.110 0.02 . . . . . . . . . . 5982 1 19 . 1 1 3 3 PRO CG C 13 27.020 0.05 . . . . . . . . . . 5982 1 20 . 1 1 3 3 PRO HG2 H 1 1.860 0.02 . . . . . . . . . . 5982 1 21 . 1 1 3 3 PRO HG3 H 1 1.740 0.02 . . . . . . . . . . 5982 1 22 . 1 1 3 3 PRO CD C 13 50.140 0.05 . . . . . . . . . . 5982 1 23 . 1 1 3 3 PRO HD2 H 1 3.570 0.02 . . . . . . . . . . 5982 1 24 . 1 1 3 3 PRO HD3 H 1 3.540 0.02 . . . . . . . . . . 5982 1 25 . 1 1 3 3 PRO C C 13 176.550 0.05 . . . . . . . . . . 5982 1 26 . 1 1 4 4 LEU N N 15 120.458 0.05 . . . . . . . . . . 5982 1 27 . 1 1 4 4 LEU H H 1 8.204 0.02 . . . . . . . . . . 5982 1 28 . 1 1 4 4 LEU CA C 13 56.545 0.05 . . . . . . . . . . 5982 1 29 . 1 1 4 4 LEU HA H 1 3.950 0.02 . . . . . . . . . . 5982 1 30 . 1 1 4 4 LEU CB C 13 41.355 0.05 . . . . . . . . . . 5982 1 31 . 1 1 4 4 LEU HB2 H 1 1.470 0.02 . . . . . . . . . . 5982 1 32 . 1 1 4 4 LEU HB3 H 1 1.420 0.02 . . . . . . . . . . 5982 1 33 . 1 1 4 4 LEU CG C 13 26.780 0.05 . . . . . . . . . . 5982 1 34 . 1 1 4 4 LEU HG H 1 1.350 0.02 . . . . . . . . . . 5982 1 35 . 1 1 4 4 LEU CD1 C 13 23.570 0.05 . . . . . . . . . . 5982 1 36 . 1 1 4 4 LEU HD11 H 1 0.720 0.02 . . . . . . . . . . 5982 1 37 . 1 1 4 4 LEU HD12 H 1 0.720 0.02 . . . . . . . . . . 5982 1 38 . 1 1 4 4 LEU HD13 H 1 0.720 0.02 . . . . . . . . . . 5982 1 39 . 1 1 4 4 LEU CD2 C 13 23.170 0.05 . . . . . . . . . . 5982 1 40 . 1 1 4 4 LEU HD21 H 1 0.670 0.02 . . . . . . . . . . 5982 1 41 . 1 1 4 4 LEU HD22 H 1 0.670 0.02 . . . . . . . . . . 5982 1 42 . 1 1 4 4 LEU HD23 H 1 0.670 0.02 . . . . . . . . . . 5982 1 43 . 1 1 4 4 LEU C C 13 177.800 0.05 . . . . . . . . . . 5982 1 44 . 1 1 5 5 GLN N N 15 118.308 0.05 . . . . . . . . . . 5982 1 45 . 1 1 5 5 GLN H H 1 8.026 0.02 . . . . . . . . . . 5982 1 46 . 1 1 5 5 GLN CA C 13 57.195 0.05 . . . . . . . . . . 5982 1 47 . 1 1 5 5 GLN HA H 1 3.920 0.02 . . . . . . . . . . 5982 1 48 . 1 1 5 5 GLN CB C 13 28.415 0.05 . . . . . . . . . . 5982 1 49 . 1 1 5 5 GLN HB2 H 1 1.930 0.02 . . . . . . . . . . 5982 1 50 . 1 1 5 5 GLN HB3 H 1 1.860 0.02 . . . . . . . . . . 5982 1 51 . 1 1 5 5 GLN CG C 13 33.440 0.05 . . . . . . . . . . 5982 1 52 . 1 1 5 5 GLN HG2 H 1 2.210 0.02 . . . . . . . . . . 5982 1 53 . 1 1 5 5 GLN HG3 H 1 2.140 0.02 . . . . . . . . . . 5982 1 54 . 1 1 5 5 GLN HE21 H 1 7.890 0.02 . . . . . . . . . . 5982 1 55 . 1 1 5 5 GLN HE22 H 1 7.700 0.02 . . . . . . . . . . 5982 1 56 . 1 1 5 5 GLN C C 13 176.830 0.05 . . . . . . . . . . 5982 1 57 . 1 1 6 6 GLU N N 15 119.406 0.05 . . . . . . . . . . 5982 1 58 . 1 1 6 6 GLU H H 1 7.975 0.02 . . . . . . . . . . 5982 1 59 . 1 1 6 6 GLU CA C 13 57.392 0.05 . . . . . . . . . . 5982 1 60 . 1 1 6 6 GLU HA H 1 3.930 0.02 . . . . . . . . . . 5982 1 61 . 1 1 6 6 GLU CB C 13 29.193 0.05 . . . . . . . . . . 5982 1 62 . 1 1 6 6 GLU HB2 H 1 2.090 0.02 . . . . . . . . . . 5982 1 63 . 1 1 6 6 GLU HB3 H 1 2.050 0.02 . . . . . . . . . . 5982 1 64 . 1 1 6 6 GLU CG C 13 35.330 0.05 . . . . . . . . . . 5982 1 65 . 1 1 6 6 GLU HG2 H 1 2.170 0.02 . . . . . . . . . . 5982 1 66 . 1 1 6 6 GLU HG3 H 1 2.140 0.02 . . . . . . . . . . 5982 1 67 . 1 1 6 6 GLU C C 13 177.520 0.05 . . . . . . . . . . 5982 1 68 . 1 1 7 7 ARG N N 15 120.181 0.05 . . . . . . . . . . 5982 1 69 . 1 1 7 7 ARG H H 1 7.845 0.02 . . . . . . . . . . 5982 1 70 . 1 1 7 7 ARG CA C 13 57.135 0.05 . . . . . . . . . . 5982 1 71 . 1 1 7 7 ARG HA H 1 3.920 0.02 . . . . . . . . . . 5982 1 72 . 1 1 7 7 ARG CB C 13 29.720 0.05 . . . . . . . . . . 5982 1 73 . 1 1 7 7 ARG HB2 H 1 1.620 0.02 . . . . . . . . . . 5982 1 74 . 1 1 7 7 ARG HB3 H 1 1.600 0.02 . . . . . . . . . . 5982 1 75 . 1 1 7 7 ARG CG C 13 26.760 0.05 . . . . . . . . . . 5982 1 76 . 1 1 7 7 ARG HG2 H 1 1.420 0.02 . . . . . . . . . . 5982 1 77 . 1 1 7 7 ARG HG3 H 1 1.380 0.02 . . . . . . . . . . 5982 1 78 . 1 1 7 7 ARG CD C 13 42.830 0.05 . . . . . . . . . . 5982 1 79 . 1 1 7 7 ARG HD2 H 1 2.910 0.02 . . . . . . . . . . 5982 1 80 . 1 1 7 7 ARG HD3 H 1 2.920 0.02 . . . . . . . . . . 5982 1 81 . 1 1 7 7 ARG C C 13 176.730 0.05 . . . . . . . . . . 5982 1 82 . 1 1 8 8 ALA N N 15 122.279 0.05 . . . . . . . . . . 5982 1 83 . 1 1 8 8 ALA H H 1 7.975 0.02 . . . . . . . . . . 5982 1 84 . 1 1 8 8 ALA CA C 13 53.530 0.05 . . . . . . . . . . 5982 1 85 . 1 1 8 8 ALA HA H 1 3.910 0.02 . . . . . . . . . . 5982 1 86 . 1 1 8 8 ALA CB C 13 17.895 0.05 . . . . . . . . . . 5982 1 87 . 1 1 8 8 ALA HB1 H 1 1.190 0.02 . . . . . . . . . . 5982 1 88 . 1 1 8 8 ALA HB2 H 1 1.190 0.02 . . . . . . . . . . 5982 1 89 . 1 1 8 8 ALA HB3 H 1 1.190 0.02 . . . . . . . . . . 5982 1 90 . 1 1 8 8 ALA C C 13 178.740 0.05 . . . . . . . . . . 5982 1 91 . 1 1 9 9 GLN N N 15 117.580 0.05 . . . . . . . . . . 5982 1 92 . 1 1 9 9 GLN H H 1 7.869 0.02 . . . . . . . . . . 5982 1 93 . 1 1 9 9 GLN CA C 13 56.783 0.05 . . . . . . . . . . 5982 1 94 . 1 1 9 9 GLN HA H 1 3.930 0.02 . . . . . . . . . . 5982 1 95 . 1 1 9 9 GLN CB C 13 28.220 0.05 . . . . . . . . . . 5982 1 96 . 1 1 9 9 GLN HB2 H 1 1.850 0.02 . . . . . . . . . . 5982 1 97 . 1 1 9 9 GLN HB3 H 1 1.800 0.02 . . . . . . . . . . 5982 1 98 . 1 1 9 9 GLN CG C 13 33.420 0.05 . . . . . . . . . . 5982 1 99 . 1 1 9 9 GLN HG2 H 1 2.190 0.02 . . . . . . . . . . 5982 1 100 . 1 1 9 9 GLN HG3 H 1 2.130 0.02 . . . . . . . . . . 5982 1 101 . 1 1 9 9 GLN C C 13 176.630 0.05 . . . . . . . . . . 5982 1 102 . 1 1 10 10 ALA N N 15 122.528 0.05 . . . . . . . . . . 5982 1 103 . 1 1 10 10 ALA H H 1 7.805 0.02 . . . . . . . . . . 5982 1 104 . 1 1 10 10 ALA CA C 13 53.253 0.05 . . . . . . . . . . 5982 1 105 . 1 1 10 10 ALA HA H 1 3.910 0.02 . . . . . . . . . . 5982 1 106 . 1 1 10 10 ALA CB C 13 18.053 0.05 . . . . . . . . . . 5982 1 107 . 1 1 10 10 ALA HB1 H 1 1.170 0.02 . . . . . . . . . . 5982 1 108 . 1 1 10 10 ALA HB2 H 1 1.170 0.02 . . . . . . . . . . 5982 1 109 . 1 1 10 10 ALA HB3 H 1 1.170 0.02 . . . . . . . . . . 5982 1 110 . 1 1 10 10 ALA C C 13 178.930 0.05 . . . . . . . . . . 5982 1 111 . 1 1 11 11 TRP N N 15 117.598 0.05 . . . . . . . . . . 5982 1 112 . 1 1 11 11 TRP H H 1 7.856 0.02 . . . . . . . . . . 5982 1 113 . 1 1 11 11 TRP CA C 13 56.520 0.05 . . . . . . . . . . 5982 1 114 . 1 1 11 11 TRP HA H 1 4.050 0.02 . . . . . . . . . . 5982 1 115 . 1 1 11 11 TRP CB C 13 29.310 0.05 . . . . . . . . . . 5982 1 116 . 1 1 11 11 TRP HB2 H 1 2.180 0.02 . . . . . . . . . . 5982 1 117 . 1 1 11 11 TRP HB3 H 1 1.870 0.02 . . . . . . . . . . 5982 1 118 . 1 1 11 11 TRP HD1 H 1 7.924 0.02 . . . . . . . . . . 5982 1 119 . 1 1 11 11 TRP HE1 H 1 9.420 0.02 . . . . . . . . . . 5982 1 120 . 1 1 11 11 TRP HE3 H 1 7.120 0.02 . . . . . . . . . . 5982 1 121 . 1 1 11 11 TRP HZ2 H 1 6.930 0.02 . . . . . . . . . . 5982 1 122 . 1 1 11 11 TRP HZ3 H 1 6.750 0.02 . . . . . . . . . . 5982 1 123 . 1 1 11 11 TRP HH2 H 1 6.900 0.02 . . . . . . . . . . 5982 1 124 . 1 1 11 11 TRP C C 13 176.620 0.05 . . . . . . . . . . 5982 1 125 . 1 1 12 12 GLY N N 15 109.213 0.05 . . . . . . . . . . 5982 1 126 . 1 1 12 12 GLY H H 1 8.087 0.02 . . . . . . . . . . 5982 1 127 . 1 1 12 12 GLY CA C 13 45.055 0.05 . . . . . . . . . . 5982 1 128 . 1 1 12 12 GLY HA2 H 1 3.770 0.02 . . . . . . . . . . 5982 1 129 . 1 1 12 12 GLY HA3 H 1 3.750 0.02 . . . . . . . . . . 5982 1 130 . 1 1 12 12 GLY C C 13 173.110 0.05 . . . . . . . . . . 5982 1 131 . 1 1 13 13 GLU N N 15 124.931 0.05 . . . . . . . . . . 5982 1 132 . 1 1 13 13 GLU H H 1 7.496 0.02 . . . . . . . . . . 5982 1 133 . 1 1 13 13 GLU CA C 13 56.565 0.05 . . . . . . . . . . 5982 1 134 . 1 1 13 13 GLU HA H 1 4.100 0.02 . . . . . . . . . . 5982 1 135 . 1 1 13 13 GLU CB C 13 31.260 0.05 . . . . . . . . . . 5982 1 136 . 1 1 13 13 GLU HB2 H 1 1.870 0.02 . . . . . . . . . . 5982 1 137 . 1 1 13 13 GLU HB3 H 1 1.780 0.02 . . . . . . . . . . 5982 1 138 . 1 1 13 13 GLU CG C 13 35.290 0.05 . . . . . . . . . . 5982 1 139 . 1 1 13 13 GLU HG2 H 1 2.150 0.02 . . . . . . . . . . 5982 1 140 . 1 1 13 13 GLU HG3 H 1 2.100 0.02 . . . . . . . . . . 5982 1 141 . 1 1 13 13 GLU C C 13 177.260 0.05 . . . . . . . . . . 5982 1 142 . 1 1 14 14 ARG N N 15 121.098 0.05 . . . . . . . . . . 5982 1 143 . 1 1 14 14 ARG H H 1 8.417 0.02 . . . . . . . . . . 5982 1 144 . 1 1 14 14 ARG CA C 13 57.780 0.05 . . . . . . . . . . 5982 1 145 . 1 1 14 14 ARG HA H 1 3.980 0.02 . . . . . . . . . . 5982 1 146 . 1 1 14 14 ARG CB C 13 29.520 0.05 . . . . . . . . . . 5982 1 147 . 1 1 14 14 ARG HB2 H 1 2.210 0.02 . . . . . . . . . . 5982 1 148 . 1 1 14 14 ARG HB3 H 1 1.920 0.02 . . . . . . . . . . 5982 1 149 . 1 1 14 14 ARG CG C 13 26.620 0.05 . . . . . . . . . . 5982 1 150 . 1 1 14 14 ARG HG2 H 1 1.400 0.02 . . . . . . . . . . 5982 1 151 . 1 1 14 14 ARG CD C 13 42.810 0.05 . . . . . . . . . . 5982 1 152 . 1 1 14 14 ARG HD2 H 1 2.920 0.02 . . . . . . . . . . 5982 1 153 . 1 1 14 14 ARG C C 13 175.650 0.05 . . . . . . . . . . 5982 1 154 . 1 1 15 15 LEU N N 15 122.836 0.05 . . . . . . . . . . 5982 1 155 . 1 1 15 15 LEU H H 1 7.952 0.02 . . . . . . . . . . 5982 1 156 . 1 1 15 15 LEU CA C 13 54.865 0.05 . . . . . . . . . . 5982 1 157 . 1 1 15 15 LEU HA H 1 4.120 0.02 . . . . . . . . . . 5982 1 158 . 1 1 15 15 LEU CB C 13 41.713 0.05 . . . . . . . . . . 5982 1 159 . 1 1 15 15 LEU HB2 H 1 1.450 0.02 . . . . . . . . . . 5982 1 160 . 1 1 15 15 LEU HB3 H 1 1.400 0.02 . . . . . . . . . . 5982 1 161 . 1 1 15 15 LEU CG C 13 26.480 0.05 . . . . . . . . . . 5982 1 162 . 1 1 15 15 LEU HG H 1 1.210 0.02 . . . . . . . . . . 5982 1 163 . 1 1 15 15 LEU CD1 C 13 24.350 0.05 . . . . . . . . . . 5982 1 164 . 1 1 15 15 LEU HD11 H 1 0.670 0.02 . . . . . . . . . . 5982 1 165 . 1 1 15 15 LEU HD12 H 1 0.670 0.02 . . . . . . . . . . 5982 1 166 . 1 1 15 15 LEU HD13 H 1 0.670 0.02 . . . . . . . . . . 5982 1 167 . 1 1 15 15 LEU CD2 C 13 22.350 0.05 . . . . . . . . . . 5982 1 168 . 1 1 15 15 LEU HD21 H 1 0.610 0.02 . . . . . . . . . . 5982 1 169 . 1 1 15 15 LEU HD22 H 1 0.610 0.02 . . . . . . . . . . 5982 1 170 . 1 1 15 15 LEU HD23 H 1 0.610 0.02 . . . . . . . . . . 5982 1 171 . 1 1 15 15 LEU C C 13 175.960 0.05 . . . . . . . . . . 5982 1 172 . 1 1 16 16 ARG N N 15 124.904 0.05 . . . . . . . . . . 5982 1 173 . 1 1 16 16 ARG H H 1 7.380 0.02 . . . . . . . . . . 5982 1 174 . 1 1 16 16 ARG CA C 13 57.340 0.05 . . . . . . . . . . 5982 1 175 . 1 1 16 16 ARG HA H 1 3.790 0.02 . . . . . . . . . . 5982 1 176 . 1 1 16 16 ARG CB C 13 31.320 0.05 . . . . . . . . . . 5982 1 177 . 1 1 16 16 ARG HB2 H 1 1.760 0.02 . . . . . . . . . . 5982 1 178 . 1 1 16 16 ARG HB3 H 1 1.630 0.02 . . . . . . . . . . 5982 1 179 . 1 1 16 16 ARG HG2 H 1 1.490 0.02 . . . . . . . . . . 5982 1 180 . 1 1 16 16 ARG HG3 H 1 1.390 0.02 . . . . . . . . . . 5982 1 181 . 1 1 16 16 ARG CD C 13 40.400 0.05 . . . . . . . . . . 5982 1 182 . 1 1 16 16 ARG HD2 H 1 2.810 0.02 . . . . . . . . . . 5982 1 183 . 1 1 16 16 ARG C C 13 173.600 0.05 . . . . . . . . . . 5982 1 184 . 1 1 17 17 ALA N N 15 125.725 0.05 . . . . . . . . . . 5982 1 185 . 1 1 17 17 ALA H H 1 7.973 0.02 . . . . . . . . . . 5982 1 186 . 1 1 17 17 ALA CA C 13 51.630 0.05 . . . . . . . . . . 5982 1 187 . 1 1 17 17 ALA HA H 1 3.870 0.02 . . . . . . . . . . 5982 1 188 . 1 1 17 17 ALA CB C 13 18.935 0.05 . . . . . . . . . . 5982 1 189 . 1 1 17 17 ALA HB1 H 1 1.160 0.02 . . . . . . . . . . 5982 1 190 . 1 1 17 17 ALA HB2 H 1 1.160 0.02 . . . . . . . . . . 5982 1 191 . 1 1 17 17 ALA HB3 H 1 1.160 0.02 . . . . . . . . . . 5982 1 192 . 1 1 17 17 ALA C C 13 179.070 0.05 . . . . . . . . . . 5982 1 193 . 1 1 18 18 ARG N N 15 117.530 0.05 . . . . . . . . . . 5982 1 194 . 1 1 18 18 ARG H H 1 7.860 0.02 . . . . . . . . . . 5982 1 195 . 1 1 18 18 ARG CA C 13 56.020 0.05 . . . . . . . . . . 5982 1 196 . 1 1 18 18 ARG HA H 1 3.780 0.02 . . . . . . . . . . 5982 1 197 . 1 1 18 18 ARG CB C 13 28.687 0.05 . . . . . . . . . . 5982 1 198 . 1 1 18 18 ARG HB2 H 1 1.950 0.02 . . . . . . . . . . 5982 1 199 . 1 1 18 18 ARG HB3 H 1 1.940 0.02 . . . . . . . . . . 5982 1 200 . 1 1 18 18 ARG CG C 13 28.390 0.05 . . . . . . . . . . 5982 1 201 . 1 1 18 18 ARG HG2 H 1 1.690 0.02 . . . . . . . . . . 5982 1 202 . 1 1 18 18 ARG HG3 H 1 1.680 0.02 . . . . . . . . . . 5982 1 203 . 1 1 18 18 ARG HD2 H 1 3.050 0.02 . . . . . . . . . . 5982 1 204 . 1 1 18 18 ARG HD3 H 1 3.020 0.02 . . . . . . . . . . 5982 1 205 . 1 1 18 18 ARG C C 13 173.910 0.05 . . . . . . . . . . 5982 1 206 . 1 1 19 19 MET N N 15 122.310 0.05 . . . . . . . . . . 5982 1 207 . 1 1 19 19 MET H H 1 8.362 0.02 . . . . . . . . . . 5982 1 208 . 1 1 19 19 MET CA C 13 54.838 0.05 . . . . . . . . . . 5982 1 209 . 1 1 19 19 MET HA H 1 3.940 0.02 . . . . . . . . . . 5982 1 210 . 1 1 19 19 MET CB C 13 32.332 0.05 . . . . . . . . . . 5982 1 211 . 1 1 19 19 MET HB2 H 1 2.000 0.02 . . . . . . . . . . 5982 1 212 . 1 1 19 19 MET HB3 H 1 1.970 0.02 . . . . . . . . . . 5982 1 213 . 1 1 19 19 MET CG C 13 30.440 0.05 . . . . . . . . . . 5982 1 214 . 1 1 19 19 MET HG2 H 1 2.460 0.02 . . . . . . . . . . 5982 1 215 . 1 1 19 19 MET HG3 H 1 2.400 0.02 . . . . . . . . . . 5982 1 216 . 1 1 19 19 MET CE C 13 29.870 0.05 . . . . . . . . . . 5982 1 217 . 1 1 19 19 MET HE1 H 1 1.930 0.02 . . . . . . . . . . 5982 1 218 . 1 1 19 19 MET HE2 H 1 1.930 0.02 . . . . . . . . . . 5982 1 219 . 1 1 19 19 MET HE3 H 1 1.930 0.02 . . . . . . . . . . 5982 1 220 . 1 1 19 19 MET C C 13 171.800 0.05 . . . . . . . . . . 5982 1 221 . 1 1 20 20 GLU N N 15 123.374 0.05 . . . . . . . . . . 5982 1 222 . 1 1 20 20 GLU H H 1 8.637 0.02 . . . . . . . . . . 5982 1 223 . 1 1 20 20 GLU CA C 13 55.890 0.05 . . . . . . . . . . 5982 1 224 . 1 1 20 20 GLU HA H 1 4.190 0.02 . . . . . . . . . . 5982 1 225 . 1 1 20 20 GLU CB C 13 29.787 0.05 . . . . . . . . . . 5982 1 226 . 1 1 20 20 GLU HB2 H 1 1.860 0.02 . . . . . . . . . . 5982 1 227 . 1 1 20 20 GLU HB3 H 1 1.750 0.02 . . . . . . . . . . 5982 1 228 . 1 1 20 20 GLU CG C 13 35.270 0.05 . . . . . . . . . . 5982 1 229 . 1 1 20 20 GLU HG2 H 1 2.150 0.02 . . . . . . . . . . 5982 1 230 . 1 1 20 20 GLU HG3 H 1 2.080 0.02 . . . . . . . . . . 5982 1 231 . 1 1 20 20 GLU C C 13 175.460 0.05 . . . . . . . . . . 5982 1 232 . 1 1 21 21 GLU N N 15 122.321 0.05 . . . . . . . . . . 5982 1 233 . 1 1 21 21 GLU H H 1 8.521 0.02 . . . . . . . . . . 5982 1 234 . 1 1 21 21 GLU CA C 13 56.267 0.05 . . . . . . . . . . 5982 1 235 . 1 1 21 21 GLU HA H 1 4.100 0.02 . . . . . . . . . . 5982 1 236 . 1 1 21 21 GLU CB C 13 29.633 0.05 . . . . . . . . . . 5982 1 237 . 1 1 21 21 GLU HB2 H 1 1.850 0.02 . . . . . . . . . . 5982 1 238 . 1 1 21 21 GLU HB3 H 1 1.780 0.02 . . . . . . . . . . 5982 1 239 . 1 1 21 21 GLU CG C 13 35.260 0.05 . . . . . . . . . . 5982 1 240 . 1 1 21 21 GLU HG2 H 1 2.120 0.02 . . . . . . . . . . 5982 1 241 . 1 1 21 21 GLU HG3 H 1 2.090 0.02 . . . . . . . . . . 5982 1 242 . 1 1 21 21 GLU C C 13 176.310 0.05 . . . . . . . . . . 5982 1 243 . 1 1 22 22 MET N N 15 121.294 0.05 . . . . . . . . . . 5982 1 244 . 1 1 22 22 MET H H 1 8.387 0.02 . . . . . . . . . . 5982 1 245 . 1 1 22 22 MET CA C 13 55.767 0.05 . . . . . . . . . . 5982 1 246 . 1 1 22 22 MET HA H 1 4.230 0.02 . . . . . . . . . . 5982 1 247 . 1 1 22 22 MET CB C 13 31.913 0.05 . . . . . . . . . . 5982 1 248 . 1 1 22 22 MET HB2 H 1 2.250 0.02 . . . . . . . . . . 5982 1 249 . 1 1 22 22 MET HB3 H 1 1.890 0.02 . . . . . . . . . . 5982 1 250 . 1 1 22 22 MET CG C 13 31.340 0.05 . . . . . . . . . . 5982 1 251 . 1 1 22 22 MET HG2 H 1 2.410 0.02 . . . . . . . . . . 5982 1 252 . 1 1 22 22 MET HG3 H 1 2.380 0.02 . . . . . . . . . . 5982 1 253 . 1 1 22 22 MET C C 13 176.860 0.05 . . . . . . . . . . 5982 1 254 . 1 1 23 23 GLY N N 15 110.195 0.05 . . . . . . . . . . 5982 1 255 . 1 1 23 23 GLY H H 1 8.392 0.02 . . . . . . . . . . 5982 1 256 . 1 1 23 23 GLY CA C 13 44.913 0.05 . . . . . . . . . . 5982 1 257 . 1 1 23 23 GLY HA2 H 1 3.800 0.02 . . . . . . . . . . 5982 1 258 . 1 1 23 23 GLY HA3 H 1 3.780 0.02 . . . . . . . . . . 5982 1 259 . 1 1 23 23 GLY C C 13 173.630 0.05 . . . . . . . . . . 5982 1 260 . 1 1 24 24 SER N N 15 115.079 0.05 . . . . . . . . . . 5982 1 261 . 1 1 24 24 SER H H 1 7.944 0.02 . . . . . . . . . . 5982 1 262 . 1 1 24 24 SER CA C 13 57.830 0.05 . . . . . . . . . . 5982 1 263 . 1 1 24 24 SER HA H 1 4.280 0.02 . . . . . . . . . . 5982 1 264 . 1 1 24 24 SER CB C 13 63.550 0.05 . . . . . . . . . . 5982 1 265 . 1 1 24 24 SER HB2 H 1 3.690 0.02 . . . . . . . . . . 5982 1 266 . 1 1 24 24 SER HB3 H 1 3.680 0.02 . . . . . . . . . . 5982 1 267 . 1 1 24 24 SER C C 13 173.280 0.05 . . . . . . . . . . 5982 1 268 . 1 1 25 25 ARG N N 15 127.045 0.05 . . . . . . . . . . 5982 1 269 . 1 1 25 25 ARG H H 1 7.770 0.02 . . . . . . . . . . 5982 1 270 . 1 1 25 25 ARG CA C 13 57.730 0.05 . . . . . . . . . . 5982 1 271 . 1 1 25 25 ARG HA H 1 4.180 0.02 . . . . . . . . . . 5982 1 272 . 1 1 25 25 ARG CB C 13 29.983 0.05 . . . . . . . . . . 5982 1 273 . 1 1 25 25 ARG HB2 H 1 1.760 0.02 . . . . . . . . . . 5982 1 274 . 1 1 25 25 ARG HB3 H 1 1.720 0.02 . . . . . . . . . . 5982 1 275 . 1 1 25 25 ARG CG C 13 26.820 0.05 . . . . . . . . . . 5982 1 276 . 1 1 25 25 ARG HG2 H 1 1.510 0.02 . . . . . . . . . . 5982 1 277 . 1 1 25 25 ARG CD C 13 42.870 0.05 . . . . . . . . . . 5982 1 278 . 1 1 25 25 ARG HD2 H 1 3.040 0.02 . . . . . . . . . . 5982 1 279 . 1 1 25 25 ARG HD3 H 1 2.990 0.02 . . . . . . . . . . 5982 1 280 . 1 1 25 25 ARG C C 13 177.640 0.05 . . . . . . . . . . 5982 1 281 . 1 1 26 26 THR N N 15 114.979 0.05 . . . . . . . . . . 5982 1 282 . 1 1 26 26 THR H H 1 7.893 0.02 . . . . . . . . . . 5982 1 283 . 1 1 26 26 THR CA C 13 63.203 0.05 . . . . . . . . . . 5982 1 284 . 1 1 26 26 THR HA H 1 4.160 0.02 . . . . . . . . . . 5982 1 285 . 1 1 26 26 THR CB C 13 68.980 0.05 . . . . . . . . . . 5982 1 286 . 1 1 26 26 THR HB H 1 3.980 0.02 . . . . . . . . . . 5982 1 287 . 1 1 26 26 THR CG2 C 13 21.200 0.05 . . . . . . . . . . 5982 1 288 . 1 1 26 26 THR HG21 H 1 1.040 0.02 . . . . . . . . . . 5982 1 289 . 1 1 26 26 THR HG22 H 1 1.040 0.02 . . . . . . . . . . 5982 1 290 . 1 1 26 26 THR HG23 H 1 1.040 0.02 . . . . . . . . . . 5982 1 291 . 1 1 26 26 THR C C 13 174.660 0.05 . . . . . . . . . . 5982 1 292 . 1 1 27 27 ARG N N 15 121.810 0.05 . . . . . . . . . . 5982 1 293 . 1 1 27 27 ARG H H 1 8.029 0.02 . . . . . . . . . . 5982 1 294 . 1 1 27 27 ARG CA C 13 57.283 0.05 . . . . . . . . . . 5982 1 295 . 1 1 27 27 ARG HA H 1 3.590 0.02 . . . . . . . . . . 5982 1 296 . 1 1 27 27 ARG CB C 13 29.740 0.05 . . . . . . . . . . 5982 1 297 . 1 1 27 27 ARG HB2 H 1 1.740 0.02 . . . . . . . . . . 5982 1 298 . 1 1 27 27 ARG HB3 H 1 1.730 0.02 . . . . . . . . . . 5982 1 299 . 1 1 27 27 ARG CG C 13 29.700 0.05 . . . . . . . . . . 5982 1 300 . 1 1 27 27 ARG HG2 H 1 1.510 0.02 . . . . . . . . . . 5982 1 301 . 1 1 27 27 ARG HG3 H 1 1.500 0.02 . . . . . . . . . . 5982 1 302 . 1 1 27 27 ARG HD2 H 1 3.030 0.02 . . . . . . . . . . 5982 1 303 . 1 1 27 27 ARG HD3 H 1 3.020 0.02 . . . . . . . . . . 5982 1 304 . 1 1 27 27 ARG C C 13 177.300 0.05 . . . . . . . . . . 5982 1 305 . 1 1 28 28 ASP N N 15 120.187 0.05 . . . . . . . . . . 5982 1 306 . 1 1 28 28 ASP H H 1 8.016 0.02 . . . . . . . . . . 5982 1 307 . 1 1 28 28 ASP CA C 13 56.758 0.05 . . . . . . . . . . 5982 1 308 . 1 1 28 28 ASP HA H 1 3.990 0.02 . . . . . . . . . . 5982 1 309 . 1 1 28 28 ASP CB C 13 40.237 0.05 . . . . . . . . . . 5982 1 310 . 1 1 28 28 ASP HB2 H 1 2.600 0.02 . . . . . . . . . . 5982 1 311 . 1 1 28 28 ASP HB3 H 1 2.580 0.02 . . . . . . . . . . 5982 1 312 . 1 1 28 28 ASP C C 13 176.940 0.05 . . . . . . . . . . 5982 1 313 . 1 1 29 29 ARG N N 15 122.310 0.05 . . . . . . . . . . 5982 1 314 . 1 1 29 29 ARG H H 1 7.915 0.02 . . . . . . . . . . 5982 1 315 . 1 1 29 29 ARG CA C 13 56.100 0.05 . . . . . . . . . . 5982 1 316 . 1 1 29 29 ARG HA H 1 4.350 0.02 . . . . . . . . . . 5982 1 317 . 1 1 29 29 ARG CB C 13 31.977 0.05 . . . . . . . . . . 5982 1 318 . 1 1 29 29 ARG HB2 H 1 2.530 0.02 . . . . . . . . . . 5982 1 319 . 1 1 29 29 ARG HB3 H 1 2.500 0.02 . . . . . . . . . . 5982 1 320 . 1 1 29 29 ARG CG C 13 24.200 0.05 . . . . . . . . . . 5982 1 321 . 1 1 29 29 ARG HG2 H 1 1.680 0.02 . . . . . . . . . . 5982 1 322 . 1 1 29 29 ARG HG3 H 1 1.130 0.02 . . . . . . . . . . 5982 1 323 . 1 1 29 29 ARG C C 13 176.960 0.05 . . . . . . . . . . 5982 1 324 . 1 1 30 30 LEU N N 15 119.732 0.05 . . . . . . . . . . 5982 1 325 . 1 1 30 30 LEU H H 1 8.068 0.02 . . . . . . . . . . 5982 1 326 . 1 1 30 30 LEU CA C 13 53.833 0.05 . . . . . . . . . . 5982 1 327 . 1 1 30 30 LEU HA H 1 4.290 0.02 . . . . . . . . . . 5982 1 328 . 1 1 30 30 LEU CB C 13 40.193 0.05 . . . . . . . . . . 5982 1 329 . 1 1 30 30 LEU HB2 H 1 1.480 0.02 . . . . . . . . . . 5982 1 330 . 1 1 30 30 LEU HB3 H 1 1.470 0.02 . . . . . . . . . . 5982 1 331 . 1 1 30 30 LEU CG C 13 26.730 0.05 . . . . . . . . . . 5982 1 332 . 1 1 30 30 LEU HG H 1 1.460 0.02 . . . . . . . . . . 5982 1 333 . 1 1 30 30 LEU HD11 H 1 0.700 0.02 . . . . . . . . . . 5982 1 334 . 1 1 30 30 LEU HD12 H 1 0.700 0.02 . . . . . . . . . . 5982 1 335 . 1 1 30 30 LEU HD13 H 1 0.700 0.02 . . . . . . . . . . 5982 1 336 . 1 1 30 30 LEU HD21 H 1 0.690 0.02 . . . . . . . . . . 5982 1 337 . 1 1 30 30 LEU HD22 H 1 0.690 0.02 . . . . . . . . . . 5982 1 338 . 1 1 30 30 LEU HD23 H 1 0.690 0.02 . . . . . . . . . . 5982 1 339 . 1 1 30 30 LEU C C 13 178.460 0.05 . . . . . . . . . . 5982 1 340 . 1 1 31 31 ASP N N 15 118.730 0.05 . . . . . . . . . . 5982 1 341 . 1 1 31 31 ASP H H 1 8.086 0.02 . . . . . . . . . . 5982 1 342 . 1 1 31 31 ASP CA C 13 53.242 0.05 . . . . . . . . . . 5982 1 343 . 1 1 31 31 ASP HA H 1 4.330 0.02 . . . . . . . . . . 5982 1 344 . 1 1 31 31 ASP CB C 13 38.493 0.05 . . . . . . . . . . 5982 1 345 . 1 1 31 31 ASP HB2 H 1 2.650 0.02 . . . . . . . . . . 5982 1 346 . 1 1 31 31 ASP HB3 H 1 2.390 0.02 . . . . . . . . . . 5982 1 347 . 1 1 31 31 ASP C C 13 174.030 0.05 . . . . . . . . . . 5982 1 348 . 1 1 32 32 GLU N N 15 122.850 0.05 . . . . . . . . . . 5982 1 349 . 1 1 32 32 GLU H H 1 7.769 0.02 . . . . . . . . . . 5982 1 350 . 1 1 32 32 GLU CA C 13 55.923 0.05 . . . . . . . . . . 5982 1 351 . 1 1 32 32 GLU HA H 1 4.160 0.02 . . . . . . . . . . 5982 1 352 . 1 1 32 32 GLU CB C 13 29.075 0.05 . . . . . . . . . . 5982 1 353 . 1 1 32 32 GLU HB2 H 1 2.200 0.02 . . . . . . . . . . 5982 1 354 . 1 1 32 32 GLU HB3 H 1 2.150 0.02 . . . . . . . . . . 5982 1 355 . 1 1 32 32 GLU CG C 13 34.520 0.05 . . . . . . . . . . 5982 1 356 . 1 1 32 32 GLU HG2 H 1 2.280 0.02 . . . . . . . . . . 5982 1 357 . 1 1 32 32 GLU HG3 H 1 2.250 0.02 . . . . . . . . . . 5982 1 358 . 1 1 32 32 GLU C C 13 175.190 0.05 . . . . . . . . . . 5982 1 359 . 1 1 33 33 VAL N N 15 123.893 0.05 . . . . . . . . . . 5982 1 360 . 1 1 33 33 VAL H H 1 7.401 0.02 . . . . . . . . . . 5982 1 361 . 1 1 33 33 VAL CA C 13 63.145 0.05 . . . . . . . . . . 5982 1 362 . 1 1 33 33 VAL HA H 1 3.930 0.02 . . . . . . . . . . 5982 1 363 . 1 1 33 33 VAL CB C 13 32.765 0.05 . . . . . . . . . . 5982 1 364 . 1 1 33 33 VAL HB H 1 2.110 0.02 . . . . . . . . . . 5982 1 365 . 1 1 33 33 VAL CG1 C 13 18.100 0.05 . . . . . . . . . . 5982 1 366 . 1 1 33 33 VAL HG11 H 1 1.870 0.02 . . . . . . . . . . 5982 1 367 . 1 1 33 33 VAL HG12 H 1 1.870 0.02 . . . . . . . . . . 5982 1 368 . 1 1 33 33 VAL HG13 H 1 1.870 0.02 . . . . . . . . . . 5982 1 369 . 1 1 33 33 VAL CG2 C 13 17.970 0.05 . . . . . . . . . . 5982 1 370 . 1 1 33 33 VAL HG21 H 1 1.820 0.02 . . . . . . . . . . 5982 1 371 . 1 1 33 33 VAL HG22 H 1 1.820 0.02 . . . . . . . . . . 5982 1 372 . 1 1 33 33 VAL HG23 H 1 1.820 0.02 . . . . . . . . . . 5982 1 373 . 1 1 33 33 VAL C C 13 175.960 0.05 . . . . . . . . . . 5982 1 374 . 1 1 34 34 LYS N N 15 120.210 0.05 . . . . . . . . . . 5982 1 375 . 1 1 34 34 LYS H H 1 7.859 0.02 . . . . . . . . . . 5982 1 376 . 1 1 34 34 LYS CA C 13 59.120 0.05 . . . . . . . . . . 5982 1 377 . 1 1 34 34 LYS HA H 1 3.920 0.02 . . . . . . . . . . 5982 1 378 . 1 1 34 34 LYS CB C 13 32.360 0.05 . . . . . . . . . . 5982 1 379 . 1 1 34 34 LYS HB2 H 1 1.860 0.02 . . . . . . . . . . 5982 1 380 . 1 1 34 34 LYS HB3 H 1 1.850 0.02 . . . . . . . . . . 5982 1 381 . 1 1 34 34 LYS CG C 13 24.690 0.05 . . . . . . . . . . 5982 1 382 . 1 1 34 34 LYS HG2 H 1 1.470 0.02 . . . . . . . . . . 5982 1 383 . 1 1 34 34 LYS HG3 H 1 1.450 0.02 . . . . . . . . . . 5982 1 384 . 1 1 34 34 LYS CD C 13 28.920 0.05 . . . . . . . . . . 5982 1 385 . 1 1 34 34 LYS HD2 H 1 1.690 0.02 . . . . . . . . . . 5982 1 386 . 1 1 34 34 LYS HD3 H 1 1.670 0.02 . . . . . . . . . . 5982 1 387 . 1 1 34 34 LYS CE C 13 41.640 0.05 . . . . . . . . . . 5982 1 388 . 1 1 34 34 LYS HE2 H 1 2.150 0.02 . . . . . . . . . . 5982 1 389 . 1 1 34 34 LYS HE3 H 1 2.090 0.02 . . . . . . . . . . 5982 1 390 . 1 1 34 34 LYS C C 13 177.520 0.05 . . . . . . . . . . 5982 1 391 . 1 1 35 35 GLU N N 15 120.204 0.05 . . . . . . . . . . 5982 1 392 . 1 1 35 35 GLU H H 1 7.756 0.02 . . . . . . . . . . 5982 1 393 . 1 1 35 35 GLU CA C 13 56.783 0.05 . . . . . . . . . . 5982 1 394 . 1 1 35 35 GLU HA H 1 4.030 0.02 . . . . . . . . . . 5982 1 395 . 1 1 35 35 GLU CB C 13 29.130 0.05 . . . . . . . . . . 5982 1 396 . 1 1 35 35 GLU HB2 H 1 1.870 0.02 . . . . . . . . . . 5982 1 397 . 1 1 35 35 GLU HB3 H 1 1.830 0.02 . . . . . . . . . . 5982 1 398 . 1 1 35 35 GLU CG C 13 34.990 0.05 . . . . . . . . . . 5982 1 399 . 1 1 35 35 GLU HG2 H 1 2.180 0.02 . . . . . . . . . . 5982 1 400 . 1 1 35 35 GLU HG3 H 1 2.120 0.02 . . . . . . . . . . 5982 1 401 . 1 1 35 35 GLU C C 13 176.460 0.05 . . . . . . . . . . 5982 1 402 . 1 1 36 36 GLN N N 15 119.202 0.05 . . . . . . . . . . 5982 1 403 . 1 1 36 36 GLN H H 1 7.729 0.02 . . . . . . . . . . 5982 1 404 . 1 1 36 36 GLN CA C 13 56.420 0.05 . . . . . . . . . . 5982 1 405 . 1 1 36 36 GLN HA H 1 4.000 0.02 . . . . . . . . . . 5982 1 406 . 1 1 36 36 GLN CB C 13 29.235 0.05 . . . . . . . . . . 5982 1 407 . 1 1 36 36 GLN HB2 H 1 2.240 0.02 . . . . . . . . . . 5982 1 408 . 1 1 36 36 GLN HB3 H 1 2.190 0.02 . . . . . . . . . . 5982 1 409 . 1 1 36 36 GLN CG C 13 33.400 0.05 . . . . . . . . . . 5982 1 410 . 1 1 36 36 GLN HG2 H 1 2.510 0.02 . . . . . . . . . . 5982 1 411 . 1 1 36 36 GLN HG3 H 1 2.490 0.02 . . . . . . . . . . 5982 1 412 . 1 1 36 36 GLN HE21 H 1 7.690 0.02 . . . . . . . . . . 5982 1 413 . 1 1 36 36 GLN HE22 H 1 7.620 0.02 . . . . . . . . . . 5982 1 414 . 1 1 36 36 GLN C C 13 178.430 0.05 . . . . . . . . . . 5982 1 415 . 1 1 37 37 VAL N N 15 118.705 0.05 . . . . . . . . . . 5982 1 416 . 1 1 37 37 VAL H H 1 7.893 0.02 . . . . . . . . . . 5982 1 417 . 1 1 37 37 VAL CA C 13 62.993 0.05 . . . . . . . . . . 5982 1 418 . 1 1 37 37 VAL HA H 1 4.148 0.02 . . . . . . . . . . 5982 1 419 . 1 1 37 37 VAL CB C 13 31.775 0.05 . . . . . . . . . . 5982 1 420 . 1 1 37 37 VAL HB H 1 2.190 0.02 . . . . . . . . . . 5982 1 421 . 1 1 37 37 VAL CG1 C 13 18.900 0.05 . . . . . . . . . . 5982 1 422 . 1 1 37 37 VAL HG11 H 1 1.180 0.02 . . . . . . . . . . 5982 1 423 . 1 1 37 37 VAL HG12 H 1 1.180 0.02 . . . . . . . . . . 5982 1 424 . 1 1 37 37 VAL HG13 H 1 1.180 0.02 . . . . . . . . . . 5982 1 425 . 1 1 37 37 VAL CG2 C 13 18.790 0.05 . . . . . . . . . . 5982 1 426 . 1 1 37 37 VAL HG21 H 1 1.150 0.02 . . . . . . . . . . 5982 1 427 . 1 1 37 37 VAL HG22 H 1 1.150 0.02 . . . . . . . . . . 5982 1 428 . 1 1 37 37 VAL HG23 H 1 1.150 0.02 . . . . . . . . . . 5982 1 429 . 1 1 37 37 VAL C C 13 175.880 0.05 . . . . . . . . . . 5982 1 430 . 1 1 38 38 ALA N N 15 124.923 0.05 . . . . . . . . . . 5982 1 431 . 1 1 38 38 ALA H H 1 7.820 0.02 . . . . . . . . . . 5982 1 432 . 1 1 38 38 ALA CA C 13 52.230 0.05 . . . . . . . . . . 5982 1 433 . 1 1 38 38 ALA HA H 1 3.740 0.02 . . . . . . . . . . 5982 1 434 . 1 1 38 38 ALA CB C 13 18.627 0.05 . . . . . . . . . . 5982 1 435 . 1 1 38 38 ALA HB1 H 1 1.220 0.02 . . . . . . . . . . 5982 1 436 . 1 1 38 38 ALA HB2 H 1 1.220 0.02 . . . . . . . . . . 5982 1 437 . 1 1 38 38 ALA HB3 H 1 1.220 0.02 . . . . . . . . . . 5982 1 438 . 1 1 38 38 ALA C C 13 176.360 0.05 . . . . . . . . . . 5982 1 439 . 1 1 39 39 GLU N N 15 124.427 0.05 . . . . . . . . . . 5982 1 440 . 1 1 39 39 GLU H H 1 7.486 0.02 . . . . . . . . . . 5982 1 441 . 1 1 39 39 GLU CA C 13 56.817 0.05 . . . . . . . . . . 5982 1 442 . 1 1 39 39 GLU HA H 1 4.110 0.02 . . . . . . . . . . 5982 1 443 . 1 1 39 39 GLU CB C 13 31.283 0.05 . . . . . . . . . . 5982 1 444 . 1 1 39 39 GLU HB2 H 1 2.330 0.02 . . . . . . . . . . 5982 1 445 . 1 1 39 39 GLU HB3 H 1 2.310 0.02 . . . . . . . . . . 5982 1 446 . 1 1 39 39 GLU CG C 13 35.510 0.05 . . . . . . . . . . 5982 1 447 . 1 1 39 39 GLU HG2 H 1 2.430 0.02 . . . . . . . . . . 5982 1 448 . 1 1 39 39 GLU HG3 H 1 2.400 0.02 . . . . . . . . . . 5982 1 449 . 1 1 39 39 GLU C C 13 176.200 0.05 . . . . . . . . . . 5982 1 450 . 1 1 40 40 VAL N N 15 120.227 0.05 . . . . . . . . . . 5982 1 451 . 1 1 40 40 VAL H H 1 7.867 0.02 . . . . . . . . . . 5982 1 452 . 1 1 40 40 VAL CA C 13 62.585 0.05 . . . . . . . . . . 5982 1 453 . 1 1 40 40 VAL HA H 1 4.090 0.02 . . . . . . . . . . 5982 1 454 . 1 1 40 40 VAL CB C 13 31.670 0.05 . . . . . . . . . . 5982 1 455 . 1 1 40 40 VAL HB H 1 1.730 0.02 . . . . . . . . . . 5982 1 456 . 1 1 40 40 VAL HG11 H 1 0.870 0.02 . . . . . . . . . . 5982 1 457 . 1 1 40 40 VAL HG12 H 1 0.870 0.02 . . . . . . . . . . 5982 1 458 . 1 1 40 40 VAL HG13 H 1 0.870 0.02 . . . . . . . . . . 5982 1 459 . 1 1 40 40 VAL HG21 H 1 0.620 0.02 . . . . . . . . . . 5982 1 460 . 1 1 40 40 VAL HG22 H 1 0.620 0.02 . . . . . . . . . . 5982 1 461 . 1 1 40 40 VAL HG23 H 1 0.620 0.02 . . . . . . . . . . 5982 1 462 . 1 1 40 40 VAL C C 13 175.140 0.05 . . . . . . . . . . 5982 1 463 . 1 1 41 41 ARG N N 15 118.565 0.05 . . . . . . . . . . 5982 1 464 . 1 1 41 41 ARG H H 1 7.548 0.02 . . . . . . . . . . 5982 1 465 . 1 1 41 41 ARG CA C 13 58.430 0.05 . . . . . . . . . . 5982 1 466 . 1 1 41 41 ARG HA H 1 4.180 0.02 . . . . . . . . . . 5982 1 467 . 1 1 41 41 ARG CB C 13 34.270 0.05 . . . . . . . . . . 5982 1 468 . 1 1 41 41 ARG HB2 H 1 1.720 0.02 . . . . . . . . . . 5982 1 469 . 1 1 41 41 ARG HG2 H 1 1.570 0.02 . . . . . . . . . . 5982 1 470 . 1 1 41 41 ARG C C 13 175.970 0.05 . . . . . . . . . . 5982 1 471 . 1 1 42 42 ALA N N 15 125.355 0.05 . . . . . . . . . . 5982 1 472 . 1 1 42 42 ALA H H 1 8.190 0.02 . . . . . . . . . . 5982 1 473 . 1 1 42 42 ALA CA C 13 52.990 0.05 . . . . . . . . . . 5982 1 474 . 1 1 42 42 ALA HA H 1 3.980 0.02 . . . . . . . . . . 5982 1 475 . 1 1 42 42 ALA CB C 13 18.150 0.05 . . . . . . . . . . 5982 1 476 . 1 1 42 42 ALA HB1 H 1 1.310 0.02 . . . . . . . . . . 5982 1 477 . 1 1 42 42 ALA HB2 H 1 1.310 0.02 . . . . . . . . . . 5982 1 478 . 1 1 42 42 ALA HB3 H 1 1.310 0.02 . . . . . . . . . . 5982 1 479 . 1 1 42 42 ALA C C 13 179.810 0.05 . . . . . . . . . . 5982 1 480 . 1 1 43 43 LYS N N 15 118.676 0.05 . . . . . . . . . . 5982 1 481 . 1 1 43 43 LYS H H 1 7.878 0.02 . . . . . . . . . . 5982 1 482 . 1 1 43 43 LYS CA C 13 58.260 0.05 . . . . . . . . . . 5982 1 483 . 1 1 43 43 LYS HA H 1 4.200 0.02 . . . . . . . . . . 5982 1 484 . 1 1 43 43 LYS CB C 13 31.733 0.05 . . . . . . . . . . 5982 1 485 . 1 1 43 43 LYS HB2 H 1 2.170 0.02 . . . . . . . . . . 5982 1 486 . 1 1 43 43 LYS HB3 H 1 2.130 0.02 . . . . . . . . . . 5982 1 487 . 1 1 43 43 LYS CG C 13 20.560 0.05 . . . . . . . . . . 5982 1 488 . 1 1 43 43 LYS HG2 H 1 1.770 0.02 . . . . . . . . . . 5982 1 489 . 1 1 43 43 LYS HG3 H 1 1.720 0.02 . . . . . . . . . . 5982 1 490 . 1 1 43 43 LYS CD C 13 26.960 0.05 . . . . . . . . . . 5982 1 491 . 1 1 43 43 LYS HD2 H 1 1.900 0.02 . . . . . . . . . . 5982 1 492 . 1 1 43 43 LYS HD3 H 1 1.860 0.02 . . . . . . . . . . 5982 1 493 . 1 1 43 43 LYS C C 13 176.690 0.05 . . . . . . . . . . 5982 1 494 . 1 1 44 44 LEU N N 15 120.819 0.05 . . . . . . . . . . 5982 1 495 . 1 1 44 44 LEU H H 1 8.203 0.02 . . . . . . . . . . 5982 1 496 . 1 1 44 44 LEU CA C 13 56.727 0.05 . . . . . . . . . . 5982 1 497 . 1 1 44 44 LEU HA H 1 4.450 0.02 . . . . . . . . . . 5982 1 498 . 1 1 44 44 LEU CB C 13 41.225 0.05 . . . . . . . . . . 5982 1 499 . 1 1 44 44 LEU HB2 H 1 2.520 0.02 . . . . . . . . . . 5982 1 500 . 1 1 44 44 LEU HB3 H 1 2.490 0.02 . . . . . . . . . . 5982 1 501 . 1 1 44 44 LEU CG C 13 26.810 0.05 . . . . . . . . . . 5982 1 502 . 1 1 44 44 LEU HG H 1 1.490 0.02 . . . . . . . . . . 5982 1 503 . 1 1 44 44 LEU CD1 C 13 23.570 0.05 . . . . . . . . . . 5982 1 504 . 1 1 44 44 LEU HD11 H 1 0.710 0.02 . . . . . . . . . . 5982 1 505 . 1 1 44 44 LEU HD12 H 1 0.710 0.02 . . . . . . . . . . 5982 1 506 . 1 1 44 44 LEU HD13 H 1 0.710 0.02 . . . . . . . . . . 5982 1 507 . 1 1 44 44 LEU CD2 C 13 23.230 0.05 . . . . . . . . . . 5982 1 508 . 1 1 44 44 LEU HD21 H 1 0.685 0.02 . . . . . . . . . . 5982 1 509 . 1 1 44 44 LEU HD22 H 1 0.685 0.02 . . . . . . . . . . 5982 1 510 . 1 1 44 44 LEU HD23 H 1 0.685 0.02 . . . . . . . . . . 5982 1 511 . 1 1 44 44 LEU C C 13 178.090 0.05 . . . . . . . . . . 5982 1 512 . 1 1 45 45 GLU N N 15 118.625 0.05 . . . . . . . . . . 5982 1 513 . 1 1 45 45 GLU H H 1 7.996 0.02 . . . . . . . . . . 5982 1 514 . 1 1 45 45 GLU CA C 13 55.640 0.05 . . . . . . . . . . 5982 1 515 . 1 1 45 45 GLU HA H 1 4.120 0.02 . . . . . . . . . . 5982 1 516 . 1 1 45 45 GLU CB C 13 28.560 0.05 . . . . . . . . . . 5982 1 517 . 1 1 45 45 GLU HB2 H 1 2.170 0.02 . . . . . . . . . . 5982 1 518 . 1 1 45 45 GLU HB3 H 1 2.150 0.02 . . . . . . . . . . 5982 1 519 . 1 1 45 45 GLU CG C 13 33.490 0.05 . . . . . . . . . . 5982 1 520 . 1 1 45 45 GLU HG2 H 1 2.240 0.02 . . . . . . . . . . 5982 1 521 . 1 1 45 45 GLU HG3 H 1 2.210 0.02 . . . . . . . . . . 5982 1 522 . 1 1 45 45 GLU C C 13 174.660 0.05 . . . . . . . . . . 5982 1 523 . 1 1 46 46 GLU N N 15 126.527 0.05 . . . . . . . . . . 5982 1 524 . 1 1 46 46 GLU H H 1 7.574 0.02 . . . . . . . . . . 5982 1 525 . 1 1 46 46 GLU CA C 13 56.840 0.05 . . . . . . . . . . 5982 1 526 . 1 1 46 46 GLU HA H 1 4.450 0.02 . . . . . . . . . . 5982 1 527 . 1 1 46 46 GLU CB C 13 28.490 0.05 . . . . . . . . . . 5982 1 528 . 1 1 46 46 GLU HB2 H 1 2.240 0.02 . . . . . . . . . . 5982 1 529 . 1 1 46 46 GLU HB3 H 1 2.060 0.02 . . . . . . . . . . 5982 1 530 . 1 1 46 46 GLU CG C 13 33.670 0.05 . . . . . . . . . . 5982 1 531 . 1 1 46 46 GLU HG2 H 1 2.520 0.02 . . . . . . . . . . 5982 1 532 . 1 1 46 46 GLU HG3 H 1 2.430 0.02 . . . . . . . . . . 5982 1 533 . 1 1 46 46 GLU C C 13 176.300 0.05 . . . . . . . . . . 5982 1 534 . 1 1 47 47 GLN N N 15 115.667 0.05 . . . . . . . . . . 5982 1 535 . 1 1 47 47 GLN H H 1 7.779 0.02 . . . . . . . . . . 5982 1 536 . 1 1 47 47 GLN CA C 13 56.700 0.05 . . . . . . . . . . 5982 1 537 . 1 1 47 47 GLN HA H 1 4.400 0.02 . . . . . . . . . . 5982 1 538 . 1 1 47 47 GLN CB C 13 28.100 0.05 . . . . . . . . . . 5982 1 539 . 1 1 47 47 GLN HB2 H 1 2.280 0.02 . . . . . . . . . . 5982 1 540 . 1 1 47 47 GLN HB3 H 1 2.260 0.02 . . . . . . . . . . 5982 1 541 . 1 1 47 47 GLN CG C 13 31.990 0.05 . . . . . . . . . . 5982 1 542 . 1 1 47 47 GLN HG2 H 1 2.450 0.02 . . . . . . . . . . 5982 1 543 . 1 1 47 47 GLN HG3 H 1 2.410 0.02 . . . . . . . . . . 5982 1 544 . 1 1 47 47 GLN C C 13 177.120 0.05 . . . . . . . . . . 5982 1 545 . 1 1 48 48 ALA N N 15 122.495 0.05 . . . . . . . . . . 5982 1 546 . 1 1 48 48 ALA H H 1 7.908 0.02 . . . . . . . . . . 5982 1 547 . 1 1 48 48 ALA CA C 13 53.172 0.05 . . . . . . . . . . 5982 1 548 . 1 1 48 48 ALA HA H 1 4.010 0.02 . . . . . . . . . . 5982 1 549 . 1 1 48 48 ALA CB C 13 18.030 0.05 . . . . . . . . . . 5982 1 550 . 1 1 48 48 ALA HB1 H 1 1.200 0.02 . . . . . . . . . . 5982 1 551 . 1 1 48 48 ALA HB2 H 1 1.200 0.02 . . . . . . . . . . 5982 1 552 . 1 1 48 48 ALA HB3 H 1 1.200 0.02 . . . . . . . . . . 5982 1 553 . 1 1 48 48 ALA C C 13 176.790 0.05 . . . . . . . . . . 5982 1 554 . 1 1 49 49 GLN N N 15 118.711 0.05 . . . . . . . . . . 5982 1 555 . 1 1 49 49 GLN H H 1 7.890 0.02 . . . . . . . . . . 5982 1 556 . 1 1 49 49 GLN CA C 13 57.777 0.05 . . . . . . . . . . 5982 1 557 . 1 1 49 49 GLN HA H 1 3.920 0.02 . . . . . . . . . . 5982 1 558 . 1 1 49 49 GLN CB C 13 29.483 0.05 . . . . . . . . . . 5982 1 559 . 1 1 49 49 GLN HB2 H 1 1.760 0.02 . . . . . . . . . . 5982 1 560 . 1 1 49 49 GLN HB3 H 1 1.740 0.02 . . . . . . . . . . 5982 1 561 . 1 1 49 49 GLN CG C 13 26.740 0.05 . . . . . . . . . . 5982 1 562 . 1 1 49 49 GLN HE21 H 1 6.980 0.02 . . . . . . . . . . 5982 1 563 . 1 1 49 49 GLN C C 13 177.660 0.05 . . . . . . . . . . 5982 1 564 . 1 1 50 50 GLN N N 15 117.061 0.05 . . . . . . . . . . 5982 1 565 . 1 1 50 50 GLN H H 1 7.859 0.02 . . . . . . . . . . 5982 1 566 . 1 1 50 50 GLN CA C 13 56.997 0.05 . . . . . . . . . . 5982 1 567 . 1 1 50 50 GLN HA H 1 3.580 0.02 . . . . . . . . . . 5982 1 568 . 1 1 50 50 GLN CB C 13 28.933 0.05 . . . . . . . . . . 5982 1 569 . 1 1 50 50 GLN HB2 H 1 1.900 0.02 . . . . . . . . . . 5982 1 570 . 1 1 50 50 GLN HB3 H 1 1.860 0.02 . . . . . . . . . . 5982 1 571 . 1 1 50 50 GLN CG C 13 34.570 0.05 . . . . . . . . . . 5982 1 572 . 1 1 50 50 GLN HG2 H 1 2.180 0.02 . . . . . . . . . . 5982 1 573 . 1 1 50 50 GLN HG3 H 1 2.120 0.02 . . . . . . . . . . 5982 1 574 . 1 1 50 50 GLN HE21 H 1 7.760 0.02 . . . . . . . . . . 5982 1 575 . 1 1 50 50 GLN HE22 H 1 7.740 0.02 . . . . . . . . . . 5982 1 576 . 1 1 50 50 GLN C C 13 174.310 0.05 . . . . . . . . . . 5982 1 577 . 1 1 51 51 ILE N N 15 119.841 0.05 . . . . . . . . . . 5982 1 578 . 1 1 51 51 ILE H H 1 7.788 0.02 . . . . . . . . . . 5982 1 579 . 1 1 51 51 ILE CA C 13 61.560 0.05 . . . . . . . . . . 5982 1 580 . 1 1 51 51 ILE HA H 1 3.860 0.02 . . . . . . . . . . 5982 1 581 . 1 1 51 51 ILE CB C 13 38.357 0.05 . . . . . . . . . . 5982 1 582 . 1 1 51 51 ILE HB H 1 1.690 0.02 . . . . . . . . . . 5982 1 583 . 1 1 51 51 ILE CG1 C 13 27.250 0.05 . . . . . . . . . . 5982 1 584 . 1 1 51 51 ILE HG12 H 1 1.330 0.02 . . . . . . . . . . 5982 1 585 . 1 1 51 51 ILE HG13 H 1 0.980 0.02 . . . . . . . . . . 5982 1 586 . 1 1 51 51 ILE CD1 C 13 16.650 0.05 . . . . . . . . . . 5982 1 587 . 1 1 51 51 ILE HD11 H 1 0.690 0.02 . . . . . . . . . . 5982 1 588 . 1 1 51 51 ILE HD12 H 1 0.690 0.02 . . . . . . . . . . 5982 1 589 . 1 1 51 51 ILE HD13 H 1 0.690 0.02 . . . . . . . . . . 5982 1 590 . 1 1 51 51 ILE CG2 C 13 16.880 0.05 . . . . . . . . . . 5982 1 591 . 1 1 51 51 ILE HG21 H 1 0.770 0.02 . . . . . . . . . . 5982 1 592 . 1 1 51 51 ILE HG22 H 1 0.770 0.02 . . . . . . . . . . 5982 1 593 . 1 1 51 51 ILE HG23 H 1 0.770 0.02 . . . . . . . . . . 5982 1 594 . 1 1 51 51 ILE C C 13 176.340 0.05 . . . . . . . . . . 5982 1 595 . 1 1 52 52 ARG N N 15 121.982 0.05 . . . . . . . . . . 5982 1 596 . 1 1 52 52 ARG H H 1 8.073 0.02 . . . . . . . . . . 5982 1 597 . 1 1 52 52 ARG CA C 13 56.255 0.05 . . . . . . . . . . 5982 1 598 . 1 1 52 52 ARG HA H 1 4.080 0.02 . . . . . . . . . . 5982 1 599 . 1 1 52 52 ARG CB C 13 30.087 0.05 . . . . . . . . . . 5982 1 600 . 1 1 52 52 ARG HB2 H 1 1.650 0.02 . . . . . . . . . . 5982 1 601 . 1 1 52 52 ARG HB3 H 1 1.600 0.02 . . . . . . . . . . 5982 1 602 . 1 1 52 52 ARG CG C 13 26.600 0.05 . . . . . . . . . . 5982 1 603 . 1 1 52 52 ARG HG2 H 1 1.420 0.02 . . . . . . . . . . 5982 1 604 . 1 1 52 52 ARG HG3 H 1 1.340 0.02 . . . . . . . . . . 5982 1 605 . 1 1 52 52 ARG CD C 13 42.760 0.05 . . . . . . . . . . 5982 1 606 . 1 1 52 52 ARG HD2 H 1 2.830 0.02 . . . . . . . . . . 5982 1 607 . 1 1 52 52 ARG HD3 H 1 2.790 0.02 . . . . . . . . . . 5982 1 608 . 1 1 52 52 ARG C C 13 175.880 0.05 . . . . . . . . . . 5982 1 609 . 1 1 53 53 LEU N N 15 121.307 0.05 . . . . . . . . . . 5982 1 610 . 1 1 53 53 LEU H H 1 7.761 0.02 . . . . . . . . . . 5982 1 611 . 1 1 53 53 LEU CA C 13 54.880 0.05 . . . . . . . . . . 5982 1 612 . 1 1 53 53 LEU HA H 1 4.100 0.02 . . . . . . . . . . 5982 1 613 . 1 1 53 53 LEU CB C 13 41.740 0.05 . . . . . . . . . . 5982 1 614 . 1 1 53 53 LEU HB2 H 1 1.420 0.02 . . . . . . . . . . 5982 1 615 . 1 1 53 53 LEU HB3 H 1 1.390 0.02 . . . . . . . . . . 5982 1 616 . 1 1 53 53 LEU CG C 13 26.450 0.05 . . . . . . . . . . 5982 1 617 . 1 1 53 53 LEU HG H 1 0.700 0.02 . . . . . . . . . . 5982 1 618 . 1 1 53 53 LEU CD1 C 13 24.350 0.05 . . . . . . . . . . 5982 1 619 . 1 1 53 53 LEU HD11 H 1 0.650 0.02 . . . . . . . . . . 5982 1 620 . 1 1 53 53 LEU HD12 H 1 0.650 0.02 . . . . . . . . . . 5982 1 621 . 1 1 53 53 LEU HD13 H 1 0.650 0.02 . . . . . . . . . . 5982 1 622 . 1 1 53 53 LEU CD2 C 13 22.390 0.05 . . . . . . . . . . 5982 1 623 . 1 1 53 53 LEU HD21 H 1 0.620 0.02 . . . . . . . . . . 5982 1 624 . 1 1 53 53 LEU HD22 H 1 0.620 0.02 . . . . . . . . . . 5982 1 625 . 1 1 53 53 LEU HD23 H 1 0.620 0.02 . . . . . . . . . . 5982 1 626 . 1 1 53 53 LEU C C 13 176.090 0.05 . . . . . . . . . . 5982 1 627 . 1 1 54 54 GLN N N 15 124.912 0.05 . . . . . . . . . . 5982 1 628 . 1 1 54 54 GLN H H 1 7.371 0.02 . . . . . . . . . . 5982 1 629 . 1 1 54 54 GLN CA C 13 56.965 0.05 . . . . . . . . . . 5982 1 630 . 1 1 54 54 GLN HA H 1 3.970 0.02 . . . . . . . . . . 5982 1 631 . 1 1 54 54 GLN CB C 13 31.803 0.05 . . . . . . . . . . 5982 1 632 . 1 1 54 54 GLN HB2 H 1 1.300 0.02 . . . . . . . . . . 5982 1 633 . 1 1 54 54 GLN HB3 H 1 1.260 0.02 . . . . . . . . . . 5982 1 634 . 1 1 54 54 GLN CG C 13 33.660 0.05 . . . . . . . . . . 5982 1 635 . 1 1 54 54 GLN HG2 H 1 1.630 0.02 . . . . . . . . . . 5982 1 636 . 1 1 54 54 GLN HG3 H 1 1.500 0.02 . . . . . . . . . . 5982 1 637 . 1 1 54 54 GLN C C 13 175.810 0.05 . . . . . . . . . . 5982 1 638 . 1 1 55 55 ALA N N 15 122.307 0.05 . . . . . . . . . . 5982 1 639 . 1 1 55 55 ALA H H 1 7.906 0.02 . . . . . . . . . . 5982 1 640 . 1 1 55 55 ALA CA C 13 53.727 0.05 . . . . . . . . . . 5982 1 641 . 1 1 55 55 ALA HA H 1 3.930 0.02 . . . . . . . . . . 5982 1 642 . 1 1 55 55 ALA CB C 13 17.980 0.05 . . . . . . . . . . 5982 1 643 . 1 1 55 55 ALA HB1 H 1 1.210 0.02 . . . . . . . . . . 5982 1 644 . 1 1 55 55 ALA HB2 H 1 1.210 0.02 . . . . . . . . . . 5982 1 645 . 1 1 55 55 ALA HB3 H 1 1.210 0.02 . . . . . . . . . . 5982 1 646 . 1 1 55 55 ALA C C 13 178.230 0.05 . . . . . . . . . . 5982 1 647 . 1 1 56 56 GLU N N 15 117.143 0.05 . . . . . . . . . . 5982 1 648 . 1 1 56 56 GLU H H 1 7.854 0.02 . . . . . . . . . . 5982 1 649 . 1 1 56 56 GLU CA C 13 56.003 0.05 . . . . . . . . . . 5982 1 650 . 1 1 56 56 GLU HA H 1 4.040 0.02 . . . . . . . . . . 5982 1 651 . 1 1 56 56 GLU CB C 13 29.570 0.05 . . . . . . . . . . 5982 1 652 . 1 1 56 56 GLU HB2 H 1 2.050 0.02 . . . . . . . . . . 5982 1 653 . 1 1 56 56 GLU HB3 H 1 2.030 0.02 . . . . . . . . . . 5982 1 654 . 1 1 56 56 GLU CG C 13 35.220 0.05 . . . . . . . . . . 5982 1 655 . 1 1 56 56 GLU HG2 H 1 2.090 0.02 . . . . . . . . . . 5982 1 656 . 1 1 56 56 GLU HG3 H 1 2.080 0.02 . . . . . . . . . . 5982 1 657 . 1 1 56 56 GLU C C 13 177.650 0.05 . . . . . . . . . . 5982 1 658 . 1 1 57 57 ALA N N 15 124.420 0.05 . . . . . . . . . . 5982 1 659 . 1 1 57 57 ALA H H 1 8.160 0.02 . . . . . . . . . . 5982 1 660 . 1 1 57 57 ALA CA C 13 54.540 0.05 . . . . . . . . . . 5982 1 661 . 1 1 57 57 ALA HA H 1 4.350 0.02 . . . . . . . . . . 5982 1 662 . 1 1 57 57 ALA CB C 13 17.645 0.05 . . . . . . . . . . 5982 1 663 . 1 1 57 57 ALA HB1 H 1 1.270 0.02 . . . . . . . . . . 5982 1 664 . 1 1 57 57 ALA HB2 H 1 1.270 0.02 . . . . . . . . . . 5982 1 665 . 1 1 57 57 ALA HB3 H 1 1.270 0.02 . . . . . . . . . . 5982 1 666 . 1 1 57 57 ALA C C 13 176.760 0.05 . . . . . . . . . . 5982 1 667 . 1 1 58 58 ALA N N 15 120.697 0.05 . . . . . . . . . . 5982 1 668 . 1 1 58 58 ALA H H 1 7.708 0.02 . . . . . . . . . . 5982 1 669 . 1 1 58 58 ALA CA C 13 54.320 0.05 . . . . . . . . . . 5982 1 670 . 1 1 58 58 ALA HA H 1 3.950 0.02 . . . . . . . . . . 5982 1 671 . 1 1 58 58 ALA CB C 13 17.897 0.05 . . . . . . . . . . 5982 1 672 . 1 1 58 58 ALA HB1 H 1 1.210 0.02 . . . . . . . . . . 5982 1 673 . 1 1 58 58 ALA HB2 H 1 1.210 0.02 . . . . . . . . . . 5982 1 674 . 1 1 58 58 ALA HB3 H 1 1.210 0.02 . . . . . . . . . . 5982 1 675 . 1 1 58 58 ALA C C 13 179.100 0.05 . . . . . . . . . . 5982 1 676 . 1 1 59 59 GLN N N 15 118.157 0.05 . . . . . . . . . . 5982 1 677 . 1 1 59 59 GLN H H 1 7.967 0.02 . . . . . . . . . . 5982 1 678 . 1 1 59 59 GLN CA C 13 55.030 0.05 . . . . . . . . . . 5982 1 679 . 1 1 59 59 GLN HA H 1 4.100 0.02 . . . . . . . . . . 5982 1 680 . 1 1 59 59 GLN CB C 13 29.010 0.05 . . . . . . . . . . 5982 1 681 . 1 1 59 59 GLN HB2 H 1 2.060 0.02 . . . . . . . . . . 5982 1 682 . 1 1 59 59 GLN HB3 H 1 2.040 0.02 . . . . . . . . . . 5982 1 683 . 1 1 59 59 GLN CG C 13 33.210 0.05 . . . . . . . . . . 5982 1 684 . 1 1 59 59 GLN HG2 H 1 2.090 0.02 . . . . . . . . . . 5982 1 685 . 1 1 59 59 GLN C C 13 175.070 0.05 . . . . . . . . . . 5982 1 686 . 1 1 60 60 ALA N N 15 125.535 0.05 . . . . . . . . . . 5982 1 687 . 1 1 60 60 ALA H H 1 8.274 0.02 . . . . . . . . . . 5982 1 688 . 1 1 60 60 ALA CA C 13 52.080 0.05 . . . . . . . . . . 5982 1 689 . 1 1 60 60 ALA HA H 1 3.880 0.02 . . . . . . . . . . 5982 1 690 . 1 1 60 60 ALA CB C 13 18.820 0.05 . . . . . . . . . . 5982 1 691 . 1 1 60 60 ALA HB1 H 1 1.520 0.02 . . . . . . . . . . 5982 1 692 . 1 1 60 60 ALA HB2 H 1 1.520 0.02 . . . . . . . . . . 5982 1 693 . 1 1 60 60 ALA HB3 H 1 1.520 0.02 . . . . . . . . . . 5982 1 694 . 1 1 60 60 ALA C C 13 178.320 0.05 . . . . . . . . . . 5982 1 695 . 1 1 61 61 ARG N N 15 117.156 0.05 . . . . . . . . . . 5982 1 696 . 1 1 61 61 ARG H H 1 7.848 0.02 . . . . . . . . . . 5982 1 697 . 1 1 61 61 ARG CA C 13 56.285 0.05 . . . . . . . . . . 5982 1 698 . 1 1 61 61 ARG HA H 1 4.210 0.02 . . . . . . . . . . 5982 1 699 . 1 1 61 61 ARG CB C 13 31.630 0.05 . . . . . . . . . . 5982 1 700 . 1 1 61 61 ARG HB2 H 1 2.140 0.02 . . . . . . . . . . 5982 1 701 . 1 1 61 61 ARG HB3 H 1 2.080 0.02 . . . . . . . . . . 5982 1 702 . 1 1 61 61 ARG CG C 13 26.960 0.05 . . . . . . . . . . 5982 1 703 . 1 1 61 61 ARG HG2 H 1 1.850 0.02 . . . . . . . . . . 5982 1 704 . 1 1 61 61 ARG HG3 H 1 1.700 0.02 . . . . . . . . . . 5982 1 705 . 1 1 61 61 ARG CD C 13 40.870 0.05 . . . . . . . . . . 5982 1 706 . 1 1 61 61 ARG HD2 H 1 3.580 0.02 . . . . . . . . . . 5982 1 707 . 1 1 61 61 ARG HD3 H 1 3.570 0.02 . . . . . . . . . . 5982 1 708 . 1 1 61 61 ARG C C 13 176.460 0.05 . . . . . . . . . . 5982 1 709 . 1 1 62 62 LEU N N 15 121.037 0.05 . . . . . . . . . . 5982 1 710 . 1 1 62 62 LEU H H 1 8.086 0.02 . . . . . . . . . . 5982 1 711 . 1 1 62 62 LEU CA C 13 55.085 0.05 . . . . . . . . . . 5982 1 712 . 1 1 62 62 LEU HA H 1 3.740 0.02 . . . . . . . . . . 5982 1 713 . 1 1 62 62 LEU CB C 13 41.850 0.05 . . . . . . . . . . 5982 1 714 . 1 1 62 62 LEU HB2 H 1 1.430 0.02 . . . . . . . . . . 5982 1 715 . 1 1 62 62 LEU CG C 13 26.750 0.05 . . . . . . . . . . 5982 1 716 . 1 1 62 62 LEU HG H 1 1.400 0.02 . . . . . . . . . . 5982 1 717 . 1 1 62 62 LEU CD1 C 13 24.380 0.05 . . . . . . . . . . 5982 1 718 . 1 1 62 62 LEU HD11 H 1 0.700 0.02 . . . . . . . . . . 5982 1 719 . 1 1 62 62 LEU HD12 H 1 0.700 0.02 . . . . . . . . . . 5982 1 720 . 1 1 62 62 LEU HD13 H 1 0.700 0.02 . . . . . . . . . . 5982 1 721 . 1 1 62 62 LEU CD2 C 13 22.540 0.05 . . . . . . . . . . 5982 1 722 . 1 1 62 62 LEU HD21 H 1 0.680 0.02 . . . . . . . . . . 5982 1 723 . 1 1 62 62 LEU HD22 H 1 0.680 0.02 . . . . . . . . . . 5982 1 724 . 1 1 62 62 LEU HD23 H 1 0.680 0.02 . . . . . . . . . . 5982 1 725 . 1 1 62 62 LEU C C 13 175.930 0.05 . . . . . . . . . . 5982 1 726 . 1 1 63 63 LYS N N 15 124.916 0.05 . . . . . . . . . . 5982 1 727 . 1 1 63 63 LYS H H 1 7.481 0.02 . . . . . . . . . . 5982 1 728 . 1 1 63 63 LYS CA C 13 56.550 0.05 . . . . . . . . . . 5982 1 729 . 1 1 63 63 LYS HA H 1 4.540 0.02 . . . . . . . . . . 5982 1 730 . 1 1 63 63 LYS CB C 13 30.590 0.05 . . . . . . . . . . 5982 1 731 . 1 1 63 63 LYS HB2 H 1 1.980 0.02 . . . . . . . . . . 5982 1 732 . 1 1 63 63 LYS HB3 H 1 1.940 0.02 . . . . . . . . . . 5982 1 733 . 1 1 63 63 LYS CG C 13 24.350 0.05 . . . . . . . . . . 5982 1 734 . 1 1 63 63 LYS HG2 H 1 1.690 0.02 . . . . . . . . . . 5982 1 735 . 1 1 63 63 LYS HG3 H 1 1.670 0.02 . . . . . . . . . . 5982 1 736 . 1 1 63 63 LYS HD2 H 1 1.930 0.02 . . . . . . . . . . 5982 1 737 . 1 1 63 63 LYS HE2 H 1 2.160 0.02 . . . . . . . . . . 5982 1 738 . 1 1 63 63 LYS C C 13 175.710 0.05 . . . . . . . . . . 5982 1 739 . 1 1 64 64 SER N N 15 114.487 0.05 . . . . . . . . . . 5982 1 740 . 1 1 64 64 SER H H 1 8.286 0.02 . . . . . . . . . . 5982 1 741 . 1 1 64 64 SER CA C 13 57.930 0.05 . . . . . . . . . . 5982 1 742 . 1 1 64 64 SER HA H 1 4.550 0.02 . . . . . . . . . . 5982 1 743 . 1 1 64 64 SER CB C 13 63.460 0.05 . . . . . . . . . . 5982 1 744 . 1 1 64 64 SER HB2 H 1 4.204 0.02 . . . . . . . . . . 5982 1 745 . 1 1 64 64 SER HB3 H 1 4.034 0.02 . . . . . . . . . . 5982 1 746 . 1 1 64 64 SER C C 13 176.060 0.05 . . . . . . . . . . 5982 1 747 . 1 1 65 65 ARG N N 15 123.885 0.05 . . . . . . . . . . 5982 1 748 . 1 1 65 65 ARG H H 1 7.555 0.02 . . . . . . . . . . 5982 1 749 . 1 1 65 65 ARG CA C 13 58.853 0.05 . . . . . . . . . . 5982 1 750 . 1 1 65 65 ARG HA H 1 4.040 0.02 . . . . . . . . . . 5982 1 751 . 1 1 65 65 ARG CB C 13 27.140 0.05 . . . . . . . . . . 5982 1 752 . 1 1 65 65 ARG HB2 H 1 1.460 0.02 . . . . . . . . . . 5982 1 753 . 1 1 65 65 ARG HB3 H 1 1.400 0.02 . . . . . . . . . . 5982 1 754 . 1 1 65 65 ARG CG C 13 26.640 0.05 . . . . . . . . . . 5982 1 755 . 1 1 65 65 ARG HG2 H 1 0.730 0.02 . . . . . . . . . . 5982 1 756 . 1 1 65 65 ARG HG3 H 1 0.680 0.02 . . . . . . . . . . 5982 1 757 . 1 1 65 65 ARG CD C 13 42.750 0.05 . . . . . . . . . . 5982 1 758 . 1 1 65 65 ARG HD2 H 1 2.460 0.02 . . . . . . . . . . 5982 1 759 . 1 1 65 65 ARG HD3 H 1 2.390 0.02 . . . . . . . . . . 5982 1 760 . 1 1 65 65 ARG C C 13 177.950 0.05 . . . . . . . . . . 5982 1 761 . 1 1 66 66 PHE N N 15 119.676 0.05 . . . . . . . . . . 5982 1 762 . 1 1 66 66 PHE H H 1 8.039 0.02 . . . . . . . . . . 5982 1 763 . 1 1 66 66 PHE CA C 13 60.420 0.05 . . . . . . . . . . 5982 1 764 . 1 1 66 66 PHE HA H 1 4.140 0.02 . . . . . . . . . . 5982 1 765 . 1 1 66 66 PHE CB C 13 38.665 0.05 . . . . . . . . . . 5982 1 766 . 1 1 66 66 PHE HB2 H 1 3.080 0.02 . . . . . . . . . . 5982 1 767 . 1 1 66 66 PHE HB3 H 1 2.980 0.02 . . . . . . . . . . 5982 1 768 . 1 1 66 66 PHE C C 13 178.050 0.05 . . . . . . . . . . 5982 1 769 . 1 1 67 67 GLU N N 15 120.219 0.05 . . . . . . . . . . 5982 1 770 . 1 1 67 67 GLU H H 1 8.294 0.02 . . . . . . . . . . 5982 1 771 . 1 1 67 67 GLU CA C 13 58.430 0.05 . . . . . . . . . . 5982 1 772 . 1 1 67 67 GLU HA H 1 3.940 0.02 . . . . . . . . . . 5982 1 773 . 1 1 67 67 GLU CB C 13 28.890 0.05 . . . . . . . . . . 5982 1 774 . 1 1 67 67 GLU HB2 H 1 2.140 0.02 . . . . . . . . . . 5982 1 775 . 1 1 67 67 GLU HB3 H 1 2.130 0.02 . . . . . . . . . . 5982 1 776 . 1 1 67 67 GLU HG2 H 1 2.280 0.02 . . . . . . . . . . 5982 1 777 . 1 1 67 67 GLU HG3 H 1 2.270 0.02 . . . . . . . . . . 5982 1 778 . 1 1 68 68 PRO CA C 13 63.043 0.05 . . . . . . . . . . 5982 1 779 . 1 1 68 68 PRO HA H 1 4.230 0.02 . . . . . . . . . . 5982 1 780 . 1 1 68 68 PRO CB C 13 31.393 0.05 . . . . . . . . . . 5982 1 781 . 1 1 68 68 PRO HB2 H 1 2.050 0.02 . . . . . . . . . . 5982 1 782 . 1 1 68 68 PRO CG C 13 26.630 0.05 . . . . . . . . . . 5982 1 783 . 1 1 68 68 PRO HG2 H 1 1.790 0.02 . . . . . . . . . . 5982 1 784 . 1 1 68 68 PRO HG3 H 1 1.750 0.02 . . . . . . . . . . 5982 1 785 . 1 1 68 68 PRO CD C 13 50.210 0.05 . . . . . . . . . . 5982 1 786 . 1 1 68 68 PRO HD2 H 1 3.550 0.02 . . . . . . . . . . 5982 1 787 . 1 1 68 68 PRO HD3 H 1 3.530 0.02 . . . . . . . . . . 5982 1 788 . 1 1 68 68 PRO C C 13 176.110 0.05 . . . . . . . . . . 5982 1 789 . 1 1 69 69 LEU N N 15 119.194 0.05 . . . . . . . . . . 5982 1 790 . 1 1 69 69 LEU H H 1 8.140 0.02 . . . . . . . . . . 5982 1 791 . 1 1 69 69 LEU CA C 13 53.767 0.05 . . . . . . . . . . 5982 1 792 . 1 1 69 69 LEU HA H 1 4.400 0.02 . . . . . . . . . . 5982 1 793 . 1 1 69 69 LEU CB C 13 40.143 0.05 . . . . . . . . . . 5982 1 794 . 1 1 69 69 LEU HB2 H 1 2.420 0.02 . . . . . . . . . . 5982 1 795 . 1 1 69 69 LEU HB3 H 1 2.400 0.02 . . . . . . . . . . 5982 1 796 . 1 1 69 69 LEU CD1 C 13 18.380 0.05 . . . . . . . . . . 5982 1 797 . 1 1 69 69 LEU HD11 H 1 1.670 0.02 . . . . . . . . . . 5982 1 798 . 1 1 69 69 LEU HD12 H 1 1.670 0.02 . . . . . . . . . . 5982 1 799 . 1 1 69 69 LEU HD13 H 1 1.670 0.02 . . . . . . . . . . 5982 1 800 . 1 1 69 69 LEU CD2 C 13 18.210 0.05 . . . . . . . . . . 5982 1 801 . 1 1 69 69 LEU HD21 H 1 1.660 0.02 . . . . . . . . . . 5982 1 802 . 1 1 69 69 LEU HD22 H 1 1.660 0.02 . . . . . . . . . . 5982 1 803 . 1 1 69 69 LEU HD23 H 1 1.660 0.02 . . . . . . . . . . 5982 1 804 . 1 1 69 69 LEU C C 13 177.190 0.05 . . . . . . . . . . 5982 1 805 . 1 1 70 70 ALA N N 15 122.827 0.05 . . . . . . . . . . 5982 1 806 . 1 1 70 70 ALA H H 1 7.908 0.02 . . . . . . . . . . 5982 1 807 . 1 1 70 70 ALA CA C 13 53.300 0.05 . . . . . . . . . . 5982 1 808 . 1 1 70 70 ALA HA H 1 4.140 0.02 . . . . . . . . . . 5982 1 809 . 1 1 70 70 ALA CB C 13 18.250 0.05 . . . . . . . . . . 5982 1 810 . 1 1 70 70 ALA HB1 H 1 1.270 0.02 . . . . . . . . . . 5982 1 811 . 1 1 70 70 ALA HB2 H 1 1.270 0.02 . . . . . . . . . . 5982 1 812 . 1 1 70 70 ALA HB3 H 1 1.270 0.02 . . . . . . . . . . 5982 1 813 . 1 1 70 70 ALA C C 13 178.480 0.05 . . . . . . . . . . 5982 1 814 . 1 1 71 71 GLU N N 15 118.172 0.05 . . . . . . . . . . 5982 1 815 . 1 1 71 71 GLU H H 1 8.088 0.02 . . . . . . . . . . 5982 1 816 . 1 1 71 71 GLU CA C 13 56.775 0.05 . . . . . . . . . . 5982 1 817 . 1 1 71 71 GLU HA H 1 4.410 0.02 . . . . . . . . . . 5982 1 818 . 1 1 71 71 GLU CB C 13 29.360 0.05 . . . . . . . . . . 5982 1 819 . 1 1 71 71 GLU HB2 H 1 2.500 0.02 . . . . . . . . . . 5982 1 820 . 1 1 71 71 GLU HB3 H 1 2.450 0.02 . . . . . . . . . . 5982 1 821 . 1 1 71 71 GLU HG2 H 1 2.600 0.02 . . . . . . . . . . 5982 1 822 . 1 1 71 71 GLU HG3 H 1 2.570 0.02 . . . . . . . . . . 5982 1 823 . 1 1 71 71 GLU C C 13 176.060 0.05 . . . . . . . . . . 5982 1 824 . 1 1 72 72 ASP N N 15 120.208 0.05 . . . . . . . . . . 5982 1 825 . 1 1 72 72 ASP H H 1 8.126 0.02 . . . . . . . . . . 5982 1 826 . 1 1 72 72 ASP CA C 13 54.645 0.05 . . . . . . . . . . 5982 1 827 . 1 1 72 72 ASP HA H 1 4.340 0.02 . . . . . . . . . . 5982 1 828 . 1 1 72 72 ASP CB C 13 39.958 0.05 . . . . . . . . . . 5982 1 829 . 1 1 72 72 ASP HB2 H 1 2.560 0.02 . . . . . . . . . . 5982 1 830 . 1 1 72 72 ASP HB3 H 1 2.540 0.02 . . . . . . . . . . 5982 1 831 . 1 1 72 72 ASP C C 13 176.730 0.05 . . . . . . . . . . 5982 1 832 . 1 1 73 73 MET N N 15 120.722 0.05 . . . . . . . . . . 5982 1 833 . 1 1 73 73 MET H H 1 7.908 0.02 . . . . . . . . . . 5982 1 834 . 1 1 73 73 MET CA C 13 56.477 0.05 . . . . . . . . . . 5982 1 835 . 1 1 73 73 MET HA H 1 4.110 0.02 . . . . . . . . . . 5982 1 836 . 1 1 73 73 MET CB C 13 31.763 0.05 . . . . . . . . . . 5982 1 837 . 1 1 73 73 MET HB2 H 1 2.330 0.02 . . . . . . . . . . 5982 1 838 . 1 1 73 73 MET HB3 H 1 2.320 0.02 . . . . . . . . . . 5982 1 839 . 1 1 73 73 MET CG C 13 35.050 0.05 . . . . . . . . . . 5982 1 840 . 1 1 73 73 MET HG2 H 1 2.490 0.02 . . . . . . . . . . 5982 1 841 . 1 1 73 73 MET CE C 13 17.530 0.05 . . . . . . . . . . 5982 1 842 . 1 1 73 73 MET C C 13 176.620 0.05 . . . . . . . . . . 5982 1 843 . 1 1 74 74 GLN N N 15 120.264 0.05 . . . . . . . . . . 5982 1 844 . 1 1 74 74 GLN H H 1 7.910 0.02 . . . . . . . . . . 5982 1 845 . 1 1 74 74 GLN CA C 13 55.647 0.05 . . . . . . . . . . 5982 1 846 . 1 1 74 74 GLN HA H 1 4.130 0.02 . . . . . . . . . . 5982 1 847 . 1 1 74 74 GLN CB C 13 29.030 0.05 . . . . . . . . . . 5982 1 848 . 1 1 74 74 GLN HB2 H 1 2.120 0.02 . . . . . . . . . . 5982 1 849 . 1 1 74 74 GLN HB3 H 1 2.100 0.02 . . . . . . . . . . 5982 1 850 . 1 1 74 74 GLN CG C 13 33.350 0.05 . . . . . . . . . . 5982 1 851 . 1 1 74 74 GLN HG2 H 1 2.180 0.02 . . . . . . . . . . 5982 1 852 . 1 1 74 74 GLN HG3 H 1 2.160 0.02 . . . . . . . . . . 5982 1 853 . 1 1 74 74 GLN C C 13 175.250 0.05 . . . . . . . . . . 5982 1 854 . 1 1 75 75 ARG N N 15 122.285 0.05 . . . . . . . . . . 5982 1 855 . 1 1 75 75 ARG H H 1 8.179 0.02 . . . . . . . . . . 5982 1 856 . 1 1 75 75 ARG CA C 13 56.245 0.05 . . . . . . . . . . 5982 1 857 . 1 1 75 75 ARG HA H 1 4.110 0.02 . . . . . . . . . . 5982 1 858 . 1 1 75 75 ARG CB C 13 29.690 0.05 . . . . . . . . . . 5982 1 859 . 1 1 75 75 ARG HB2 H 1 2.140 0.02 . . . . . . . . . . 5982 1 860 . 1 1 75 75 ARG HB3 H 1 2.120 0.02 . . . . . . . . . . 5982 1 861 . 1 1 75 75 ARG CG C 13 29.670 0.05 . . . . . . . . . . 5982 1 862 . 1 1 75 75 ARG HG2 H 1 2.080 0.02 . . . . . . . . . . 5982 1 863 . 1 1 75 75 ARG HG3 H 1 2.060 0.02 . . . . . . . . . . 5982 1 864 . 1 1 75 75 ARG CD C 13 35.050 0.05 . . . . . . . . . . 5982 1 865 . 1 1 75 75 ARG C C 13 174.990 0.05 . . . . . . . . . . 5982 1 866 . 1 1 76 76 GLN N N 15 125.992 0.05 . . . . . . . . . . 5982 1 867 . 1 1 76 76 GLN H H 1 7.694 0.02 . . . . . . . . . . 5982 1 868 . 1 1 76 76 GLN CA C 13 56.825 0.05 . . . . . . . . . . 5982 1 869 . 1 1 76 76 GLN HA H 1 4.120 0.02 . . . . . . . . . . 5982 1 870 . 1 1 76 76 GLN CB C 13 31.250 0.05 . . . . . . . . . . 5982 1 871 . 1 1 76 76 GLN HB2 H 1 2.360 0.02 . . . . . . . . . . 5982 1 872 . 1 1 76 76 GLN HB3 H 1 2.310 0.02 . . . . . . . . . . 5982 1 873 . 1 1 76 76 GLN CG C 13 31.780 0.05 . . . . . . . . . . 5982 1 874 . 1 1 76 76 GLN HG2 H 1 2.500 0.02 . . . . . . . . . . 5982 1 875 . 1 1 76 76 GLN HG3 H 1 2.440 0.02 . . . . . . . . . . 5982 1 876 . 1 1 76 76 GLN C C 13 176.870 0.05 . . . . . . . . . . 5982 1 877 . 1 1 77 77 TRP N N 15 120.240 0.05 . . . . . . . . . . 5982 1 878 . 1 1 77 77 TRP H H 1 7.902 0.02 . . . . . . . . . . 5982 1 879 . 1 1 77 77 TRP CA C 13 57.108 0.05 . . . . . . . . . . 5982 1 880 . 1 1 77 77 TRP HA H 1 3.930 0.02 . . . . . . . . . . 5982 1 881 . 1 1 77 77 TRP CB C 13 30.032 0.05 . . . . . . . . . . 5982 1 882 . 1 1 77 77 TRP HB2 H 1 2.950 0.02 . . . . . . . . . . 5982 1 883 . 1 1 77 77 TRP HB3 H 1 2.880 0.02 . . . . . . . . . . 5982 1 884 . 1 1 77 77 TRP HD1 H 1 7.356 0.02 . . . . . . . . . . 5982 1 885 . 1 1 77 77 TRP HE1 H 1 9.778 0.02 . . . . . . . . . . 5982 1 886 . 1 1 77 77 TRP HE3 H 1 7.200 0.02 . . . . . . . . . . 5982 1 887 . 1 1 77 77 TRP HZ2 H 1 6.990 0.02 . . . . . . . . . . 5982 1 888 . 1 1 77 77 TRP HZ3 H 1 6.811 0.02 . . . . . . . . . . 5982 1 889 . 1 1 77 77 TRP HH2 H 1 6.960 0.02 . . . . . . . . . . 5982 1 890 . 1 1 77 77 TRP C C 13 176.970 0.05 . . . . . . . . . . 5982 1 891 . 1 1 78 78 ALA N N 15 122.297 0.05 . . . . . . . . . . 5982 1 892 . 1 1 78 78 ALA H H 1 7.979 0.02 . . . . . . . . . . 5982 1 893 . 1 1 78 78 ALA CA C 13 53.143 0.05 . . . . . . . . . . 5982 1 894 . 1 1 78 78 ALA HA H 1 3.740 0.02 . . . . . . . . . . 5982 1 895 . 1 1 78 78 ALA CB C 13 18.025 0.05 . . . . . . . . . . 5982 1 896 . 1 1 78 78 ALA HB1 H 1 1.100 0.02 . . . . . . . . . . 5982 1 897 . 1 1 78 78 ALA HB2 H 1 1.100 0.02 . . . . . . . . . . 5982 1 898 . 1 1 78 78 ALA HB3 H 1 1.100 0.02 . . . . . . . . . . 5982 1 899 . 1 1 78 78 ALA C C 13 177.880 0.05 . . . . . . . . . . 5982 1 900 . 1 1 79 79 GLY N N 15 106.061 0.05 . . . . . . . . . . 5982 1 901 . 1 1 79 79 GLY H H 1 7.550 0.02 . . . . . . . . . . 5982 1 902 . 1 1 79 79 GLY CA C 13 45.415 0.05 . . . . . . . . . . 5982 1 903 . 1 1 79 79 GLY HA2 H 1 4.040 0.02 . . . . . . . . . . 5982 1 904 . 1 1 79 79 GLY HA3 H 1 4.010 0.02 . . . . . . . . . . 5982 1 905 . 1 1 79 79 GLY C C 13 174.560 0.05 . . . . . . . . . . 5982 1 906 . 1 1 80 80 GLN N N 15 119.603 0.05 . . . . . . . . . . 5982 1 907 . 1 1 80 80 GLN H H 1 7.779 0.02 . . . . . . . . . . 5982 1 908 . 1 1 80 80 GLN CA C 13 56.595 0.05 . . . . . . . . . . 5982 1 909 . 1 1 80 80 GLN HA H 1 4.270 0.02 . . . . . . . . . . 5982 1 910 . 1 1 80 80 GLN CB C 13 29.245 0.05 . . . . . . . . . . 5982 1 911 . 1 1 80 80 GLN HB2 H 1 1.810 0.02 . . . . . . . . . . 5982 1 912 . 1 1 80 80 GLN HB3 H 1 1.710 0.02 . . . . . . . . . . 5982 1 913 . 1 1 80 80 GLN CG C 13 33.300 0.05 . . . . . . . . . . 5982 1 914 . 1 1 80 80 GLN HG2 H 1 2.020 0.02 . . . . . . . . . . 5982 1 915 . 1 1 80 80 GLN HG3 H 1 1.980 0.02 . . . . . . . . . . 5982 1 916 . 1 1 80 80 GLN C C 13 176.560 0.05 . . . . . . . . . . 5982 1 917 . 1 1 81 81 VAL N N 15 119.708 0.05 . . . . . . . . . . 5982 1 918 . 1 1 81 81 VAL H H 1 7.819 0.02 . . . . . . . . . . 5982 1 919 . 1 1 81 81 VAL CA C 13 63.963 0.05 . . . . . . . . . . 5982 1 920 . 1 1 81 81 VAL HA H 1 4.220 0.02 . . . . . . . . . . 5982 1 921 . 1 1 81 81 VAL CB C 13 31.700 0.05 . . . . . . . . . . 5982 1 922 . 1 1 81 81 VAL HB H 1 1.820 0.02 . . . . . . . . . . 5982 1 923 . 1 1 81 81 VAL CG1 C 13 27.230 0.05 . . . . . . . . . . 5982 1 924 . 1 1 81 81 VAL HG11 H 1 0.690 0.02 . . . . . . . . . . 5982 1 925 . 1 1 81 81 VAL HG12 H 1 0.690 0.02 . . . . . . . . . . 5982 1 926 . 1 1 81 81 VAL HG13 H 1 0.690 0.02 . . . . . . . . . . 5982 1 927 . 1 1 81 81 VAL CG2 C 13 26.850 0.05 . . . . . . . . . . 5982 1 928 . 1 1 81 81 VAL HG21 H 1 0.680 0.02 . . . . . . . . . . 5982 1 929 . 1 1 81 81 VAL HG22 H 1 0.680 0.02 . . . . . . . . . . 5982 1 930 . 1 1 81 81 VAL HG23 H 1 0.680 0.02 . . . . . . . . . . 5982 1 931 . 1 1 81 81 VAL C C 13 177.220 0.05 . . . . . . . . . . 5982 1 932 . 1 1 82 82 GLU N N 15 120.757 0.05 . . . . . . . . . . 5982 1 933 . 1 1 82 82 GLU H H 1 8.217 0.02 . . . . . . . . . . 5982 1 934 . 1 1 82 82 GLU CA C 13 57.685 0.05 . . . . . . . . . . 5982 1 935 . 1 1 82 82 GLU HA H 1 4.090 0.02 . . . . . . . . . . 5982 1 936 . 1 1 82 82 GLU CB C 13 29.020 0.05 . . . . . . . . . . 5982 1 937 . 1 1 82 82 GLU HB2 H 1 2.070 0.02 . . . . . . . . . . 5982 1 938 . 1 1 82 82 GLU HB3 H 1 2.060 0.02 . . . . . . . . . . 5982 1 939 . 1 1 82 82 GLU HG2 H 1 2.110 0.02 . . . . . . . . . . 5982 1 940 . 1 1 82 82 GLU HG3 H 1 2.090 0.02 . . . . . . . . . . 5982 1 941 . 1 1 82 82 GLU C C 13 177.460 0.05 . . . . . . . . . . 5982 1 942 . 1 1 83 83 LYS N N 15 120.180 0.05 . . . . . . . . . . 5982 1 943 . 1 1 83 83 LYS H H 1 7.687 0.02 . . . . . . . . . . 5982 1 944 . 1 1 83 83 LYS CA C 13 57.743 0.05 . . . . . . . . . . 5982 1 945 . 1 1 83 83 LYS HA H 1 3.940 0.02 . . . . . . . . . . 5982 1 946 . 1 1 83 83 LYS CB C 13 32.150 0.05 . . . . . . . . . . 5982 1 947 . 1 1 83 83 LYS HB2 H 1 1.870 0.02 . . . . . . . . . . 5982 1 948 . 1 1 83 83 LYS HB3 H 1 1.850 0.02 . . . . . . . . . . 5982 1 949 . 1 1 83 83 LYS CG C 13 24.560 0.05 . . . . . . . . . . 5982 1 950 . 1 1 83 83 LYS HG2 H 1 1.270 0.02 . . . . . . . . . . 5982 1 951 . 1 1 83 83 LYS HG3 H 1 1.240 0.02 . . . . . . . . . . 5982 1 952 . 1 1 83 83 LYS CD C 13 28.790 0.05 . . . . . . . . . . 5982 1 953 . 1 1 83 83 LYS HD2 H 1 1.660 0.02 . . . . . . . . . . 5982 1 954 . 1 1 83 83 LYS HD3 H 1 1.630 0.02 . . . . . . . . . . 5982 1 955 . 1 1 83 83 LYS CE C 13 42.820 0.05 . . . . . . . . . . 5982 1 956 . 1 1 83 83 LYS HE2 H 1 2.110 0.02 . . . . . . . . . . 5982 1 957 . 1 1 83 83 LYS HE3 H 1 2.060 0.02 . . . . . . . . . . 5982 1 958 . 1 1 83 83 LYS C C 13 177.710 0.05 . . . . . . . . . . 5982 1 959 . 1 1 84 84 VAL N N 15 120.237 0.05 . . . . . . . . . . 5982 1 960 . 1 1 84 84 VAL H H 1 7.751 0.02 . . . . . . . . . . 5982 1 961 . 1 1 84 84 VAL CA C 13 64.082 0.05 . . . . . . . . . . 5982 1 962 . 1 1 84 84 VAL HA H 1 4.210 0.02 . . . . . . . . . . 5982 1 963 . 1 1 84 84 VAL CB C 13 31.773 0.05 . . . . . . . . . . 5982 1 964 . 1 1 84 84 VAL HB H 1 2.160 0.02 . . . . . . . . . . 5982 1 965 . 1 1 84 84 VAL CG1 C 13 26.890 0.05 . . . . . . . . . . 5982 1 966 . 1 1 84 84 VAL HG11 H 1 1.870 0.02 . . . . . . . . . . 5982 1 967 . 1 1 84 84 VAL HG12 H 1 1.870 0.02 . . . . . . . . . . 5982 1 968 . 1 1 84 84 VAL HG13 H 1 1.870 0.02 . . . . . . . . . . 5982 1 969 . 1 1 84 84 VAL CG2 C 13 20.760 0.05 . . . . . . . . . . 5982 1 970 . 1 1 84 84 VAL HG21 H 1 1.740 0.02 . . . . . . . . . . 5982 1 971 . 1 1 84 84 VAL HG22 H 1 1.740 0.02 . . . . . . . . . . 5982 1 972 . 1 1 84 84 VAL HG23 H 1 1.740 0.02 . . . . . . . . . . 5982 1 973 . 1 1 84 84 VAL C C 13 177.110 0.05 . . . . . . . . . . 5982 1 974 . 1 1 85 85 GLN N N 15 120.750 0.05 . . . . . . . . . . 5982 1 975 . 1 1 85 85 GLN H H 1 8.159 0.02 . . . . . . . . . . 5982 1 976 . 1 1 85 85 GLN CA C 13 56.760 0.05 . . . . . . . . . . 5982 1 977 . 1 1 85 85 GLN HA H 1 4.040 0.02 . . . . . . . . . . 5982 1 978 . 1 1 85 85 GLN CB C 13 28.817 0.05 . . . . . . . . . . 5982 1 979 . 1 1 85 85 GLN HB2 H 1 1.570 0.02 . . . . . . . . . . 5982 1 980 . 1 1 85 85 GLN CG C 13 32.930 0.05 . . . . . . . . . . 5982 1 981 . 1 1 85 85 GLN HG2 H 1 3.140 0.02 . . . . . . . . . . 5982 1 982 . 1 1 85 85 GLN HG3 H 1 3.040 0.02 . . . . . . . . . . 5982 1 983 . 1 1 85 85 GLN C C 13 175.970 0.05 . . . . . . . . . . 5982 1 984 . 1 1 86 86 ALA N N 15 125.044 0.05 . . . . . . . . . . 5982 1 985 . 1 1 86 86 ALA H H 1 8.188 0.02 . . . . . . . . . . 5982 1 986 . 1 1 86 86 ALA CA C 13 53.115 0.05 . . . . . . . . . . 5982 1 987 . 1 1 86 86 ALA HA H 1 3.820 0.02 . . . . . . . . . . 5982 1 988 . 1 1 86 86 ALA CB C 13 18.057 0.05 . . . . . . . . . . 5982 1 989 . 1 1 86 86 ALA HB1 H 1 1.220 0.02 . . . . . . . . . . 5982 1 990 . 1 1 86 86 ALA HB2 H 1 1.220 0.02 . . . . . . . . . . 5982 1 991 . 1 1 86 86 ALA HB3 H 1 1.220 0.02 . . . . . . . . . . 5982 1 992 . 1 1 86 86 ALA C C 13 178.310 0.05 . . . . . . . . . . 5982 1 993 . 1 1 87 87 ALA N N 15 121.730 0.05 . . . . . . . . . . 5982 1 994 . 1 1 87 87 ALA H H 1 7.830 0.02 . . . . . . . . . . 5982 1 995 . 1 1 87 87 ALA CA C 13 53.113 0.05 . . . . . . . . . . 5982 1 996 . 1 1 87 87 ALA HA H 1 3.920 0.02 . . . . . . . . . . 5982 1 997 . 1 1 87 87 ALA CB C 13 18.212 0.05 . . . . . . . . . . 5982 1 998 . 1 1 87 87 ALA HB1 H 1 1.210 0.02 . . . . . . . . . . 5982 1 999 . 1 1 87 87 ALA HB2 H 1 1.210 0.02 . . . . . . . . . . 5982 1 1000 . 1 1 87 87 ALA HB3 H 1 1.210 0.02 . . . . . . . . . . 5982 1 1001 . 1 1 87 87 ALA C C 13 178.430 0.05 . . . . . . . . . . 5982 1 1002 . 1 1 88 88 GLU N N 15 119.115 0.05 . . . . . . . . . . 5982 1 1003 . 1 1 88 88 GLU H H 1 7.892 0.02 . . . . . . . . . . 5982 1 1004 . 1 1 88 88 GLU CA C 13 58.120 0.05 . . . . . . . . . . 5982 1 1005 . 1 1 88 88 GLU HA H 1 4.310 0.02 . . . . . . . . . . 5982 1 1006 . 1 1 88 88 GLU CB C 13 28.903 0.05 . . . . . . . . . . 5982 1 1007 . 1 1 88 88 GLU HB2 H 1 2.330 0.02 . . . . . . . . . . 5982 1 1008 . 1 1 88 88 GLU HB3 H 1 2.160 0.02 . . . . . . . . . . 5982 1 1009 . 1 1 88 88 GLU CG C 13 34.220 0.05 . . . . . . . . . . 5982 1 1010 . 1 1 88 88 GLU HG2 H 1 3.140 0.02 . . . . . . . . . . 5982 1 1011 . 1 1 88 88 GLU HG3 H 1 3.100 0.02 . . . . . . . . . . 5982 1 1012 . 1 1 88 88 GLU C C 13 177.460 0.05 . . . . . . . . . . 5982 1 1013 . 1 1 89 89 GLY N N 15 107.575 0.05 . . . . . . . . . . 5982 1 1014 . 1 1 89 89 GLY H H 1 7.971 0.02 . . . . . . . . . . 5982 1 1015 . 1 1 89 89 GLY CA C 13 45.295 0.05 . . . . . . . . . . 5982 1 1016 . 1 1 89 89 GLY HA2 H 1 3.810 0.02 . . . . . . . . . . 5982 1 1017 . 1 1 89 89 GLY HA3 H 1 3.800 0.02 . . . . . . . . . . 5982 1 1018 . 1 1 89 89 GLY C C 13 174.530 0.05 . . . . . . . . . . 5982 1 1019 . 1 1 90 90 THR N N 15 112.370 0.05 . . . . . . . . . . 5982 1 1020 . 1 1 90 90 THR H H 1 7.767 0.02 . . . . . . . . . . 5982 1 1021 . 1 1 90 90 THR CA C 13 61.680 0.05 . . . . . . . . . . 5982 1 1022 . 1 1 90 90 THR HA H 1 4.180 0.02 . . . . . . . . . . 5982 1 1023 . 1 1 90 90 THR CB C 13 69.390 0.05 . . . . . . . . . . 5982 1 1024 . 1 1 90 90 THR HB H 1 4.090 0.02 . . . . . . . . . . 5982 1 1025 . 1 1 90 90 THR CG2 C 13 20.850 0.05 . . . . . . . . . . 5982 1 1026 . 1 1 90 90 THR HG21 H 1 1.040 0.02 . . . . . . . . . . 5982 1 1027 . 1 1 90 90 THR HG22 H 1 1.040 0.02 . . . . . . . . . . 5982 1 1028 . 1 1 90 90 THR HG23 H 1 1.040 0.02 . . . . . . . . . . 5982 1 1029 . 1 1 90 90 THR C C 13 174.510 0.05 . . . . . . . . . . 5982 1 1030 . 1 1 91 91 SER N N 15 117.082 0.05 . . . . . . . . . . 5982 1 1031 . 1 1 91 91 SER H H 1 7.962 0.02 . . . . . . . . . . 5982 1 1032 . 1 1 91 91 SER CA C 13 58.098 0.05 . . . . . . . . . . 5982 1 1033 . 1 1 91 91 SER HA H 1 4.240 0.02 . . . . . . . . . . 5982 1 1034 . 1 1 91 91 SER CB C 13 63.350 0.05 . . . . . . . . . . 5982 1 1035 . 1 1 91 91 SER HB2 H 1 3.700 0.02 . . . . . . . . . . 5982 1 1036 . 1 1 91 91 SER HB3 H 1 3.520 0.02 . . . . . . . . . . 5982 1 1037 . 1 1 91 91 SER C C 13 173.630 0.05 . . . . . . . . . . 5982 1 1038 . 1 1 92 92 ALA N N 15 124.955 0.05 . . . . . . . . . . 5982 1 1039 . 1 1 92 92 ALA H H 1 7.935 0.02 . . . . . . . . . . 5982 1 1040 . 1 1 92 92 ALA CA C 13 51.680 0.05 . . . . . . . . . . 5982 1 1041 . 1 1 92 92 ALA HA H 1 4.150 0.02 . . . . . . . . . . 5982 1 1042 . 1 1 92 92 ALA CB C 13 18.900 0.05 . . . . . . . . . . 5982 1 1043 . 1 1 92 92 ALA HB1 H 1 1.170 0.02 . . . . . . . . . . 5982 1 1044 . 1 1 92 92 ALA HB2 H 1 1.170 0.02 . . . . . . . . . . 5982 1 1045 . 1 1 92 92 ALA HB3 H 1 1.170 0.02 . . . . . . . . . . 5982 1 1046 . 1 1 92 92 ALA C C 13 176.420 0.05 . . . . . . . . . . 5982 1 1047 . 1 1 93 93 ALA N N 15 123.801 0.05 . . . . . . . . . . 5982 1 1048 . 1 1 93 93 ALA H H 1 7.841 0.02 . . . . . . . . . . 5982 1 1049 . 1 1 93 93 ALA CA C 13 49.870 0.05 . . . . . . . . . . 5982 1 1050 . 1 1 93 93 ALA HA H 1 4.205 0.02 . . . . . . . . . . 5982 1 1051 . 1 1 93 93 ALA CB C 13 17.750 0.05 . . . . . . . . . . 5982 1 1052 . 1 1 93 93 ALA HB1 H 1 1.005 0.02 . . . . . . . . . . 5982 1 1053 . 1 1 93 93 ALA HB2 H 1 1.005 0.02 . . . . . . . . . . 5982 1 1054 . 1 1 93 93 ALA HB3 H 1 1.005 0.02 . . . . . . . . . . 5982 1 1055 . 1 1 94 94 PRO CA C 13 63.610 0.05 . . . . . . . . . . 5982 1 1056 . 1 1 94 94 PRO HA H 1 4.180 0.02 . . . . . . . . . . 5982 1 1057 . 1 1 94 94 PRO CB C 13 31.220 0.05 . . . . . . . . . . 5982 1 1058 . 1 1 94 94 PRO HB2 H 1 2.140 0.02 . . . . . . . . . . 5982 1 1059 . 1 1 94 94 PRO HG2 H 1 2.100 0.02 . . . . . . . . . . 5982 1 1060 . 1 1 94 94 PRO HD2 H 1 3.710 0.02 . . . . . . . . . . 5982 1 1061 . 1 1 94 94 PRO HD3 H 1 3.600 0.02 . . . . . . . . . . 5982 1 1062 . 1 1 94 94 PRO C C 13 175.480 0.05 . . . . . . . . . . 5982 1 1063 . 1 1 95 95 VAL N N 15 121.634 0.05 . . . . . . . . . . 5982 1 1064 . 1 1 95 95 VAL H H 1 8.153 0.02 . . . . . . . . . . 5982 1 1065 . 1 1 95 95 VAL CA C 13 62.690 0.05 . . . . . . . . . . 5982 1 1066 . 1 1 95 95 VAL HA H 1 4.290 0.02 . . . . . . . . . . 5982 1 1067 . 1 1 95 95 VAL CB C 13 31.870 0.05 . . . . . . . . . . 5982 1 1068 . 1 1 95 95 VAL HB H 1 2.330 0.02 . . . . . . . . . . 5982 1 1069 . 1 1 95 95 VAL HG11 H 1 0.740 0.02 . . . . . . . . . . 5982 1 1070 . 1 1 95 95 VAL HG12 H 1 0.740 0.02 . . . . . . . . . . 5982 1 1071 . 1 1 95 95 VAL HG13 H 1 0.740 0.02 . . . . . . . . . . 5982 1 1072 . 1 1 95 95 VAL HG21 H 1 0.730 0.02 . . . . . . . . . . 5982 1 1073 . 1 1 95 95 VAL HG22 H 1 0.730 0.02 . . . . . . . . . . 5982 1 1074 . 1 1 95 95 VAL HG23 H 1 0.730 0.02 . . . . . . . . . . 5982 1 1075 . 1 1 96 96 PRO CA C 13 62.987 0.05 . . . . . . . . . . 5982 1 1076 . 1 1 96 96 PRO HA H 1 4.210 0.02 . . . . . . . . . . 5982 1 1077 . 1 1 96 96 PRO CB C 13 31.585 0.05 . . . . . . . . . . 5982 1 1078 . 1 1 96 96 PRO HB2 H 1 2.100 0.02 . . . . . . . . . . 5982 1 1079 . 1 1 96 96 PRO CG C 13 26.860 0.05 . . . . . . . . . . 5982 1 1080 . 1 1 96 96 PRO HG2 H 1 1.840 0.02 . . . . . . . . . . 5982 1 1081 . 1 1 96 96 PRO HG3 H 1 1.730 0.02 . . . . . . . . . . 5982 1 1082 . 1 1 96 96 PRO CD C 13 50.440 0.05 . . . . . . . . . . 5982 1 1083 . 1 1 96 96 PRO HD2 H 1 3.650 0.02 . . . . . . . . . . 5982 1 1084 . 1 1 96 96 PRO HD3 H 1 3.470 0.02 . . . . . . . . . . 5982 1 1085 . 1 1 96 96 PRO C C 13 176.430 0.05 . . . . . . . . . . 5982 1 1086 . 1 1 97 97 SER N N 15 114.518 0.05 . . . . . . . . . . 5982 1 1087 . 1 1 97 97 SER H H 1 8.029 0.02 . . . . . . . . . . 5982 1 1088 . 1 1 97 97 SER CA C 13 57.758 0.05 . . . . . . . . . . 5982 1 1089 . 1 1 97 97 SER HA H 1 4.220 0.02 . . . . . . . . . . 5982 1 1090 . 1 1 97 97 SER CB C 13 63.577 0.05 . . . . . . . . . . 5982 1 1091 . 1 1 97 97 SER HB2 H 1 3.730 0.02 . . . . . . . . . . 5982 1 1092 . 1 1 97 97 SER HB3 H 1 3.630 0.02 . . . . . . . . . . 5982 1 1093 . 1 1 97 97 SER C C 13 173.940 0.05 . . . . . . . . . . 5982 1 1094 . 1 1 98 98 ASP N N 15 121.748 0.05 . . . . . . . . . . 5982 1 1095 . 1 1 98 98 ASP H H 1 8.148 0.02 . . . . . . . . . . 5982 1 1096 . 1 1 98 98 ASP CA C 13 53.755 0.05 . . . . . . . . . . 5982 1 1097 . 1 1 98 98 ASP HA H 1 4.450 0.02 . . . . . . . . . . 5982 1 1098 . 1 1 98 98 ASP CB C 13 40.463 0.05 . . . . . . . . . . 5982 1 1099 . 1 1 98 98 ASP HB2 H 1 2.500 0.02 . . . . . . . . . . 5982 1 1100 . 1 1 98 98 ASP HB3 H 1 2.460 0.02 . . . . . . . . . . 5982 1 1101 . 1 1 98 98 ASP C C 13 175.430 0.05 . . . . . . . . . . 5982 1 1102 . 1 1 99 99 ASN N N 15 118.649 0.05 . . . . . . . . . . 5982 1 1103 . 1 1 99 99 ASN H H 1 8.098 0.02 . . . . . . . . . . 5982 1 1104 . 1 1 99 99 ASN CA C 13 52.962 0.05 . . . . . . . . . . 5982 1 1105 . 1 1 99 99 ASN HA H 1 4.480 0.02 . . . . . . . . . . 5982 1 1106 . 1 1 99 99 ASN CB C 13 38.305 0.05 . . . . . . . . . . 5982 1 1107 . 1 1 99 99 ASN HB2 H 1 2.590 0.02 . . . . . . . . . . 5982 1 1108 . 1 1 99 99 ASN HB3 H 1 2.500 0.02 . . . . . . . . . . 5982 1 1109 . 1 1 99 99 ASN C C 13 173.810 0.05 . . . . . . . . . . 5982 1 1110 . 1 1 100 100 HIS N N 15 122.848 0.05 . . . . . . . . . . 5982 1 1111 . 1 1 100 100 HIS H H 1 7.770 0.02 . . . . . . . . . . 5982 1 1112 . 1 1 100 100 HIS CA C 13 56.640 0.05 . . . . . . . . . . 5982 1 1113 . 1 1 100 100 HIS HA H 1 4.360 0.02 . . . . . . . . . . 5982 1 1114 . 1 1 100 100 HIS CB C 13 29.280 0.05 . . . . . . . . . . 5982 1 1115 . 1 1 100 100 HIS HB2 H 1 2.920 0.02 . . . . . . . . . . 5982 1 stop_ save_