data_5710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5710 _Entry.Title ; Structure and interactions of Mth11: A homologue of human RNase P protein Rpp29 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-02-26 _Entry.Accession_date 2003-02-26 _Entry.Last_release_date 2004-02-12 _Entry.Original_release_date 2004-02-12 _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 William Boomershine . P . 5710 2 Craig McElroy . . . 5710 3 Hsin-Yue Tsai . . . 5710 4 Venkat Gopalan . . . 5710 5 Mark Foster . P . 5710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 581 5710 '13C chemical shifts' 288 5710 '15N chemical shifts' 86 5710 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 . . 2004-02-12 2003-02-26 original author . 5710 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5710 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14673079 _Citation.Full_citation . _Citation.Title ; Structure of Mth11/Mth Rpp29, an essential protein subunit of archaeal and eukaryotic RNase P ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 100 _Citation.Journal_issue 26 _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 15398 _Citation.Page_last 15403 _Citation.Year 2003 _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 William Boomershine . P . 5710 1 2 Craig McElroy . A . 5710 1 3 Hsin-Yue Tsai . . . 5710 1 4 R Wilson . C . 5710 1 5 Venkat Gopalan . . . 5710 1 6 Mark Foster . P . 5710 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5710 1 'RNase P' 5710 1 Pop4p 5710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mth11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mth11 _Assembly.Entry_ID 5710 _Assembly.ID 1 _Assembly.Name 'Mth11 free in solution' _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 5710 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 'mth11 monomer' 1 $mth11_monomer . . . native . . . . . 5710 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1OQK . . . . . . 5710 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Mth11 free in solution' system 5710 1 Mth11 abbreviation 5710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mth11_monomer _Entity.Sf_category entity _Entity.Sf_framecode mth11_monomer _Entity.Entry_ID 5710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mth11 _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 ; GSHMLITPRNIFRHELIGLS VRIARSVHRDIQGISGRVVD ETRNTLRIEMDDGREITVPK GIAVFHFRTPQGELVEIDGR ALVARPEERIKKKFRKP ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1OQK . "Structure Of Mth11: A Homologue Of Human Rnase P Protein Rpp29" . . . . . 100.00 97 100.00 100.00 9.46e-61 . . . . 5710 1 2 no GB AAB84512 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 95.88 93 98.92 100.00 5.48e-57 . . . . 5710 1 3 no REF NP_275156 . "hypothetical protein MTH11 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 95.88 93 98.92 100.00 5.48e-57 . . . . 5710 1 4 no REF WP_010875653 . "ribonuclease P [Methanothermobacter thermautotrophicus]" . . . . . 95.88 93 98.92 100.00 5.48e-57 . . . . 5710 1 5 no SP O26119 . "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29 [Methanothermobacter thermauto" . . . . . 95.88 93 98.92 100.00 5.48e-57 . . . . 5710 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Mth11 common 5710 1 Mth11 abbreviation 5710 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 . 5710 1 2 . SER . 5710 1 3 . HIS . 5710 1 4 . MET . 5710 1 5 . LEU . 5710 1 6 . ILE . 5710 1 7 . THR . 5710 1 8 . PRO . 5710 1 9 . ARG . 5710 1 10 . ASN . 5710 1 11 . ILE . 5710 1 12 . PHE . 5710 1 13 . ARG . 5710 1 14 . HIS . 5710 1 15 . GLU . 5710 1 16 . LEU . 5710 1 17 . ILE . 5710 1 18 . GLY . 5710 1 19 . LEU . 5710 1 20 . SER . 5710 1 21 . VAL . 5710 1 22 . ARG . 5710 1 23 . ILE . 5710 1 24 . ALA . 5710 1 25 . ARG . 5710 1 26 . SER . 5710 1 27 . VAL . 5710 1 28 . HIS . 5710 1 29 . ARG . 5710 1 30 . ASP . 5710 1 31 . ILE . 5710 1 32 . GLN . 5710 1 33 . GLY . 5710 1 34 . ILE . 5710 1 35 . SER . 5710 1 36 . GLY . 5710 1 37 . ARG . 5710 1 38 . VAL . 5710 1 39 . VAL . 5710 1 40 . ASP . 5710 1 41 . GLU . 5710 1 42 . THR . 5710 1 43 . ARG . 5710 1 44 . ASN . 5710 1 45 . THR . 5710 1 46 . LEU . 5710 1 47 . ARG . 5710 1 48 . ILE . 5710 1 49 . GLU . 5710 1 50 . MET . 5710 1 51 . ASP . 5710 1 52 . ASP . 5710 1 53 . GLY . 5710 1 54 . ARG . 5710 1 55 . GLU . 5710 1 56 . ILE . 5710 1 57 . THR . 5710 1 58 . VAL . 5710 1 59 . PRO . 5710 1 60 . LYS . 5710 1 61 . GLY . 5710 1 62 . ILE . 5710 1 63 . ALA . 5710 1 64 . VAL . 5710 1 65 . PHE . 5710 1 66 . HIS . 5710 1 67 . PHE . 5710 1 68 . ARG . 5710 1 69 . THR . 5710 1 70 . PRO . 5710 1 71 . GLN . 5710 1 72 . GLY . 5710 1 73 . GLU . 5710 1 74 . LEU . 5710 1 75 . VAL . 5710 1 76 . GLU . 5710 1 77 . ILE . 5710 1 78 . ASP . 5710 1 79 . GLY . 5710 1 80 . ARG . 5710 1 81 . ALA . 5710 1 82 . LEU . 5710 1 83 . VAL . 5710 1 84 . ALA . 5710 1 85 . ARG . 5710 1 86 . PRO . 5710 1 87 . GLU . 5710 1 88 . GLU . 5710 1 89 . ARG . 5710 1 90 . ILE . 5710 1 91 . LYS . 5710 1 92 . LYS . 5710 1 93 . LYS . 5710 1 94 . PHE . 5710 1 95 . ARG . 5710 1 96 . LYS . 5710 1 97 . PRO . 5710 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 5710 1 . SER 2 2 5710 1 . HIS 3 3 5710 1 . MET 4 4 5710 1 . LEU 5 5 5710 1 . ILE 6 6 5710 1 . THR 7 7 5710 1 . PRO 8 8 5710 1 . ARG 9 9 5710 1 . ASN 10 10 5710 1 . ILE 11 11 5710 1 . PHE 12 12 5710 1 . ARG 13 13 5710 1 . HIS 14 14 5710 1 . GLU 15 15 5710 1 . LEU 16 16 5710 1 . ILE 17 17 5710 1 . GLY 18 18 5710 1 . LEU 19 19 5710 1 . SER 20 20 5710 1 . VAL 21 21 5710 1 . ARG 22 22 5710 1 . ILE 23 23 5710 1 . ALA 24 24 5710 1 . ARG 25 25 5710 1 . SER 26 26 5710 1 . VAL 27 27 5710 1 . HIS 28 28 5710 1 . ARG 29 29 5710 1 . ASP 30 30 5710 1 . ILE 31 31 5710 1 . GLN 32 32 5710 1 . GLY 33 33 5710 1 . ILE 34 34 5710 1 . SER 35 35 5710 1 . GLY 36 36 5710 1 . ARG 37 37 5710 1 . VAL 38 38 5710 1 . VAL 39 39 5710 1 . ASP 40 40 5710 1 . GLU 41 41 5710 1 . THR 42 42 5710 1 . ARG 43 43 5710 1 . ASN 44 44 5710 1 . THR 45 45 5710 1 . LEU 46 46 5710 1 . ARG 47 47 5710 1 . ILE 48 48 5710 1 . GLU 49 49 5710 1 . MET 50 50 5710 1 . ASP 51 51 5710 1 . ASP 52 52 5710 1 . GLY 53 53 5710 1 . ARG 54 54 5710 1 . GLU 55 55 5710 1 . ILE 56 56 5710 1 . THR 57 57 5710 1 . VAL 58 58 5710 1 . PRO 59 59 5710 1 . LYS 60 60 5710 1 . GLY 61 61 5710 1 . ILE 62 62 5710 1 . ALA 63 63 5710 1 . VAL 64 64 5710 1 . PHE 65 65 5710 1 . HIS 66 66 5710 1 . PHE 67 67 5710 1 . ARG 68 68 5710 1 . THR 69 69 5710 1 . PRO 70 70 5710 1 . GLN 71 71 5710 1 . GLY 72 72 5710 1 . GLU 73 73 5710 1 . LEU 74 74 5710 1 . VAL 75 75 5710 1 . GLU 76 76 5710 1 . ILE 77 77 5710 1 . ASP 78 78 5710 1 . GLY 79 79 5710 1 . ARG 80 80 5710 1 . ALA 81 81 5710 1 . LEU 82 82 5710 1 . VAL 83 83 5710 1 . ALA 84 84 5710 1 . ARG 85 85 5710 1 . PRO 86 86 5710 1 . GLU 87 87 5710 1 . GLU 88 88 5710 1 . ARG 89 89 5710 1 . ILE 90 90 5710 1 . LYS 91 91 5710 1 . LYS 92 92 5710 1 . LYS 93 93 5710 1 . PHE 94 94 5710 1 . ARG 95 95 5710 1 . LYS 96 96 5710 1 . PRO 97 97 5710 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 5710 _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 $mth11_monomer . 145262 . . 'Methanothermobacter thermoautotrophicus' 'Methanothermobacter thermautotrophicus' . . Archaea . Methanothermobacter thermoautotrophicus . . . . . . . . . . . . . . . . . . . . . 5710 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 5710 _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 $mth11_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5710 _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 Mth11 '[U-98% 13C; U-98% 15N]' . . 1 $mth11_monomer . . . 1.0 1.5 mM . . . . 5710 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 5710 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 n/a 5710 1 temperature 299 1 K 5710 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5710 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5710 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5710 _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_1 Bruker DRX . 800 . . . 5710 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5710 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 5710 _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 5710 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5710 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5710 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5710 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 5710 _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 . 5710 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 3 3 HIS CA C 13 55.560 0.52 . 1 . . . . . . . . 5710 1 2 . 1 1 3 3 HIS CB C 13 29.856 0.52 . 1 . . . . . . . . 5710 1 3 . 1 1 4 4 MET N N 15 122.428 0.35 . 1 . . . . . . . . 5710 1 4 . 1 1 4 4 MET H H 1 8.368 0.01 . 1 . . . . . . . . 5710 1 5 . 1 1 4 4 MET CA C 13 55.394 0.52 . 1 . . . . . . . . 5710 1 6 . 1 1 4 4 MET HA H 1 4.426 0.01 . 1 . . . . . . . . 5710 1 7 . 1 1 4 4 MET CB C 13 33.081 0.52 . 1 . . . . . . . . 5710 1 8 . 1 1 4 4 MET HB3 H 1 1.906 0.01 . 2 . . . . . . . . 5710 1 9 . 1 1 4 4 MET HB2 H 1 1.974 0.01 . 2 . . . . . . . . 5710 1 10 . 1 1 4 4 MET CG C 13 31.987 0.52 . 1 . . . . . . . . 5710 1 11 . 1 1 4 4 MET HG3 H 1 2.387 0.01 . 2 . . . . . . . . 5710 1 12 . 1 1 4 4 MET HG2 H 1 2.442 0.01 . 2 . . . . . . . . 5710 1 13 . 1 1 4 4 MET CE C 13 16.970 0.52 . 1 . . . . . . . . 5710 1 14 . 1 1 4 4 MET HE1 H 1 2.027 0.01 . 1 . . . . . . . . 5710 1 15 . 1 1 4 4 MET HE2 H 1 2.027 0.01 . 1 . . . . . . . . 5710 1 16 . 1 1 4 4 MET HE3 H 1 2.027 0.01 . 1 . . . . . . . . 5710 1 17 . 1 1 5 5 LEU N N 15 125.238 0.35 . 1 . . . . . . . . 5710 1 18 . 1 1 5 5 LEU H H 1 8.302 0.01 . 1 . . . . . . . . 5710 1 19 . 1 1 5 5 LEU CA C 13 55.180 0.52 . 1 . . . . . . . . 5710 1 20 . 1 1 5 5 LEU HA H 1 4.322 0.01 . 1 . . . . . . . . 5710 1 21 . 1 1 5 5 LEU CB C 13 42.520 0.52 . 1 . . . . . . . . 5710 1 22 . 1 1 5 5 LEU HB2 H 1 1.558 0.01 . 2 . . . . . . . . 5710 1 23 . 1 1 5 5 LEU CG C 13 24.935 0.52 . 1 . . . . . . . . 5710 1 24 . 1 1 5 5 LEU HG H 1 0.860 0.01 . 1 . . . . . . . . 5710 1 25 . 1 1 6 6 ILE N N 15 124.398 0.35 . 1 . . . . . . . . 5710 1 26 . 1 1 6 6 ILE H H 1 8.276 0.01 . 1 . . . . . . . . 5710 1 27 . 1 1 6 6 ILE CA C 13 60.860 0.52 . 1 . . . . . . . . 5710 1 28 . 1 1 6 6 ILE HA H 1 4.257 0.01 . 1 . . . . . . . . 5710 1 29 . 1 1 6 6 ILE CB C 13 38.639 0.52 . 1 . . . . . . . . 5710 1 30 . 1 1 6 6 ILE HB H 1 1.714 0.01 . 1 . . . . . . . . 5710 1 31 . 1 1 6 6 ILE CG1 C 13 27.580 0.52 . 2 . . . . . . . . 5710 1 32 . 1 1 6 6 ILE HG13 H 1 0.829 0.01 . 1 . . . . . . . . 5710 1 33 . 1 1 6 6 ILE HG12 H 1 1.376 0.01 . 1 . . . . . . . . 5710 1 34 . 1 1 6 6 ILE CD1 C 13 13.183 0.52 . 1 . . . . . . . . 5710 1 35 . 1 1 6 6 ILE HD11 H 1 0.711 0.01 . 1 . . . . . . . . 5710 1 36 . 1 1 6 6 ILE HD12 H 1 0.711 0.01 . 1 . . . . . . . . 5710 1 37 . 1 1 6 6 ILE HD13 H 1 0.711 0.01 . 1 . . . . . . . . 5710 1 38 . 1 1 6 6 ILE CG2 C 13 17.590 0.52 . 1 . . . . . . . . 5710 1 39 . 1 1 6 6 ILE HG21 H 1 0.708 0.01 . 1 . . . . . . . . 5710 1 40 . 1 1 6 6 ILE HG22 H 1 0.708 0.01 . 1 . . . . . . . . 5710 1 41 . 1 1 6 6 ILE HG23 H 1 0.708 0.01 . 1 . . . . . . . . 5710 1 42 . 1 1 7 7 THR N N 15 121.726 0.35 . 1 . . . . . . . . 5710 1 43 . 1 1 7 7 THR H H 1 8.563 0.01 . 1 . . . . . . . . 5710 1 44 . 1 1 7 7 THR CA C 13 59.284 0.52 . 1 . . . . . . . . 5710 1 45 . 1 1 7 7 THR HA H 1 4.752 0.01 . 1 . . . . . . . . 5710 1 46 . 1 1 7 7 THR CB C 13 70.030 0.52 . 1 . . . . . . . . 5710 1 47 . 1 1 7 7 THR HB H 1 4.317 0.01 . 1 . . . . . . . . 5710 1 48 . 1 1 7 7 THR CG2 C 13 21.263 0.52 . 1 . . . . . . . . 5710 1 49 . 1 1 7 7 THR HG21 H 1 1.166 0.01 . 1 . . . . . . . . 5710 1 50 . 1 1 7 7 THR HG22 H 1 1.166 0.01 . 1 . . . . . . . . 5710 1 51 . 1 1 7 7 THR HG23 H 1 1.166 0.01 . 1 . . . . . . . . 5710 1 52 . 1 1 9 9 ARG N N 15 118.074 0.35 . 1 . . . . . . . . 5710 1 53 . 1 1 9 9 ARG H H 1 8.116 0.01 . 1 . . . . . . . . 5710 1 54 . 1 1 9 9 ARG CA C 13 56.417 0.52 . 1 . . . . . . . . 5710 1 55 . 1 1 9 9 ARG HA H 1 4.324 0.01 . 1 . . . . . . . . 5710 1 56 . 1 1 9 9 ARG CB C 13 31.552 0.52 . 1 . . . . . . . . 5710 1 57 . 1 1 9 9 ARG HB3 H 1 1.687 0.01 . 2 . . . . . . . . 5710 1 58 . 1 1 9 9 ARG HB2 H 1 1.863 0.01 . 2 . . . . . . . . 5710 1 59 . 1 1 9 9 ARG CG C 13 27.286 0.52 . 1 . . . . . . . . 5710 1 60 . 1 1 9 9 ARG HG2 H 1 1.697 0.01 . 2 . . . . . . . . 5710 1 61 . 1 1 9 9 ARG CD C 13 43.005 0.52 . 1 . . . . . . . . 5710 1 62 . 1 1 9 9 ARG HD2 H 1 3.217 0.01 . 2 . . . . . . . . 5710 1 63 . 1 1 10 10 ASN N N 15 118.560 0.35 . 1 . . . . . . . . 5710 1 64 . 1 1 10 10 ASN H H 1 8.202 0.01 . 1 . . . . . . . . 5710 1 65 . 1 1 10 10 ASN CA C 13 53.314 0.52 . 1 . . . . . . . . 5710 1 66 . 1 1 10 10 ASN HA H 1 4.720 0.01 . 1 . . . . . . . . 5710 1 67 . 1 1 10 10 ASN CB C 13 39.171 0.52 . 1 . . . . . . . . 5710 1 68 . 1 1 10 10 ASN HB3 H 1 2.755 0.01 . 2 . . . . . . . . 5710 1 69 . 1 1 10 10 ASN HB2 H 1 2.933 0.01 . 2 . . . . . . . . 5710 1 70 . 1 1 10 10 ASN ND2 N 15 112.175 0.35 . 1 . . . . . . . . 5710 1 71 . 1 1 10 10 ASN HD21 H 1 7.603 0.01 . 2 . . . . . . . . 5710 1 72 . 1 1 10 10 ASN HD22 H 1 6.996 0.01 . 2 . . . . . . . . 5710 1 73 . 1 1 11 11 ILE N N 15 120.504 0.35 . 1 . . . . . . . . 5710 1 74 . 1 1 11 11 ILE H H 1 7.764 0.01 . 1 . . . . . . . . 5710 1 75 . 1 1 11 11 ILE CA C 13 62.401 0.52 . 1 . . . . . . . . 5710 1 76 . 1 1 11 11 ILE HA H 1 3.975 0.01 . 1 . . . . . . . . 5710 1 77 . 1 1 11 11 ILE CB C 13 38.966 0.52 . 1 . . . . . . . . 5710 1 78 . 1 1 11 11 ILE HB H 1 1.723 0.01 . 1 . . . . . . . . 5710 1 79 . 1 1 11 11 ILE CG1 C 13 27.727 0.52 . 2 . . . . . . . . 5710 1 80 . 1 1 11 11 ILE HG12 H 1 1.203 0.01 . 1 . . . . . . . . 5710 1 81 . 1 1 11 11 ILE CD1 C 13 13.917 0.52 . 1 . . . . . . . . 5710 1 82 . 1 1 11 11 ILE HD11 H 1 0.837 0.01 . 1 . . . . . . . . 5710 1 83 . 1 1 11 11 ILE HD12 H 1 0.837 0.01 . 1 . . . . . . . . 5710 1 84 . 1 1 11 11 ILE HD13 H 1 0.837 0.01 . 1 . . . . . . . . 5710 1 85 . 1 1 11 11 ILE CG2 C 13 16.855 0.52 . 1 . . . . . . . . 5710 1 86 . 1 1 11 11 ILE HG21 H 1 0.599 0.01 . 1 . . . . . . . . 5710 1 87 . 1 1 11 11 ILE HG22 H 1 0.599 0.01 . 1 . . . . . . . . 5710 1 88 . 1 1 11 11 ILE HG23 H 1 0.599 0.01 . 1 . . . . . . . . 5710 1 89 . 1 1 16 16 LEU CA C 13 55.198 0.52 . 1 . . . . . . . . 5710 1 90 . 1 1 16 16 LEU HA H 1 4.197 0.01 . 1 . . . . . . . . 5710 1 91 . 1 1 16 16 LEU CB C 13 43.220 0.52 . 1 . . . . . . . . 5710 1 92 . 1 1 16 16 LEU HB3 H 1 1.153 0.01 . 2 . . . . . . . . 5710 1 93 . 1 1 16 16 LEU HB2 H 1 1.414 0.01 . 2 . . . . . . . . 5710 1 94 . 1 1 16 16 LEU CG C 13 26.997 0.52 . 1 . . . . . . . . 5710 1 95 . 1 1 16 16 LEU HG H 1 1.543 0.01 . 1 . . . . . . . . 5710 1 96 . 1 1 16 16 LEU CD1 C 13 26.405 0.52 . 1 . . . . . . . . 5710 1 97 . 1 1 16 16 LEU HD11 H 1 0.561 0.01 . 2 . . . . . . . . 5710 1 98 . 1 1 16 16 LEU HD12 H 1 0.561 0.01 . 2 . . . . . . . . 5710 1 99 . 1 1 16 16 LEU HD13 H 1 0.561 0.01 . 2 . . . . . . . . 5710 1 100 . 1 1 16 16 LEU CD2 C 13 21.997 0.52 . 1 . . . . . . . . 5710 1 101 . 1 1 16 16 LEU HD21 H 1 0.004 0.01 . 2 . . . . . . . . 5710 1 102 . 1 1 16 16 LEU HD22 H 1 0.004 0.01 . 2 . . . . . . . . 5710 1 103 . 1 1 16 16 LEU HD23 H 1 0.004 0.01 . 2 . . . . . . . . 5710 1 104 . 1 1 17 17 ILE CA C 13 63.406 0.52 . 1 . . . . . . . . 5710 1 105 . 1 1 17 17 ILE HA H 1 3.234 0.01 . 1 . . . . . . . . 5710 1 106 . 1 1 17 17 ILE CB C 13 37.039 0.52 . 1 . . . . . . . . 5710 1 107 . 1 1 17 17 ILE HB H 1 1.725 0.01 . 1 . . . . . . . . 5710 1 108 . 1 1 17 17 ILE CG1 C 13 28.608 0.52 . 2 . . . . . . . . 5710 1 109 . 1 1 17 17 ILE HG12 H 1 1.695 0.01 . 1 . . . . . . . . 5710 1 110 . 1 1 17 17 ILE CD1 C 13 12.889 0.52 . 1 . . . . . . . . 5710 1 111 . 1 1 17 17 ILE HD11 H 1 0.916 0.01 . 1 . . . . . . . . 5710 1 112 . 1 1 17 17 ILE HD12 H 1 0.916 0.01 . 1 . . . . . . . . 5710 1 113 . 1 1 17 17 ILE HD13 H 1 0.916 0.01 . 1 . . . . . . . . 5710 1 114 . 1 1 17 17 ILE CG2 C 13 17.443 0.52 . 1 . . . . . . . . 5710 1 115 . 1 1 17 17 ILE HG21 H 1 0.829 0.01 . 1 . . . . . . . . 5710 1 116 . 1 1 17 17 ILE HG22 H 1 0.829 0.01 . 1 . . . . . . . . 5710 1 117 . 1 1 17 17 ILE HG23 H 1 0.829 0.01 . 1 . . . . . . . . 5710 1 118 . 1 1 18 18 GLY N N 15 116.748 0.35 . 1 . . . . . . . . 5710 1 119 . 1 1 18 18 GLY H H 1 9.116 0.01 . 1 . . . . . . . . 5710 1 120 . 1 1 18 18 GLY CA C 13 44.620 0.52 . 1 . . . . . . . . 5710 1 121 . 1 1 18 18 GLY HA3 H 1 3.691 0.01 . 2 . . . . . . . . 5710 1 122 . 1 1 18 18 GLY HA2 H 1 4.551 0.01 . 2 . . . . . . . . 5710 1 123 . 1 1 19 19 LEU N N 15 120.957 0.35 . 1 . . . . . . . . 5710 1 124 . 1 1 19 19 LEU H H 1 8.067 0.01 . 1 . . . . . . . . 5710 1 125 . 1 1 19 19 LEU CA C 13 55.125 0.52 . 1 . . . . . . . . 5710 1 126 . 1 1 19 19 LEU HA H 1 4.590 0.01 . 1 . . . . . . . . 5710 1 127 . 1 1 19 19 LEU CB C 13 41.957 0.52 . 1 . . . . . . . . 5710 1 128 . 1 1 19 19 LEU HB2 H 1 2.037 0.01 . 2 . . . . . . . . 5710 1 129 . 1 1 19 19 LEU CG C 13 26.992 0.52 . 1 . . . . . . . . 5710 1 130 . 1 1 19 19 LEU HG H 1 1.756 0.01 . 1 . . . . . . . . 5710 1 131 . 1 1 19 19 LEU CD1 C 13 22.144 0.52 . 1 . . . . . . . . 5710 1 132 . 1 1 19 19 LEU HD11 H 1 0.889 0.01 . 2 . . . . . . . . 5710 1 133 . 1 1 19 19 LEU HD12 H 1 0.889 0.01 . 2 . . . . . . . . 5710 1 134 . 1 1 19 19 LEU HD13 H 1 0.889 0.01 . 2 . . . . . . . . 5710 1 135 . 1 1 19 19 LEU CD2 C 13 22.732 0.52 . 1 . . . . . . . . 5710 1 136 . 1 1 19 19 LEU HD21 H 1 0.750 0.01 . 2 . . . . . . . . 5710 1 137 . 1 1 19 19 LEU HD22 H 1 0.750 0.01 . 2 . . . . . . . . 5710 1 138 . 1 1 19 19 LEU HD23 H 1 0.750 0.01 . 2 . . . . . . . . 5710 1 139 . 1 1 20 20 SER N N 15 117.985 0.35 . 1 . . . . . . . . 5710 1 140 . 1 1 20 20 SER H H 1 8.742 0.01 . 1 . . . . . . . . 5710 1 141 . 1 1 20 20 SER CA C 13 59.168 0.52 . 1 . . . . . . . . 5710 1 142 . 1 1 20 20 SER HA H 1 5.032 0.01 . 1 . . . . . . . . 5710 1 143 . 1 1 20 20 SER CB C 13 63.750 0.52 . 1 . . . . . . . . 5710 1 144 . 1 1 20 20 SER HB3 H 1 3.892 0.01 . 2 . . . . . . . . 5710 1 145 . 1 1 20 20 SER HB2 H 1 3.991 0.01 . 2 . . . . . . . . 5710 1 146 . 1 1 21 21 VAL N N 15 123.561 0.35 . 1 . . . . . . . . 5710 1 147 . 1 1 21 21 VAL H H 1 9.005 0.01 . 1 . . . . . . . . 5710 1 148 . 1 1 21 21 VAL CA C 13 57.912 0.52 . 1 . . . . . . . . 5710 1 149 . 1 1 21 21 VAL HA H 1 5.280 0.01 . 1 . . . . . . . . 5710 1 150 . 1 1 21 21 VAL CB C 13 35.780 0.52 . 1 . . . . . . . . 5710 1 151 . 1 1 21 21 VAL HB H 1 1.767 0.01 . 1 . . . . . . . . 5710 1 152 . 1 1 21 21 VAL CG2 C 13 23.760 0.52 . 1 . . . . . . . . 5710 1 153 . 1 1 21 21 VAL HG21 H 1 0.285 0.01 . 2 . . . . . . . . 5710 1 154 . 1 1 21 21 VAL HG22 H 1 0.285 0.01 . 2 . . . . . . . . 5710 1 155 . 1 1 21 21 VAL HG23 H 1 0.285 0.01 . 2 . . . . . . . . 5710 1 156 . 1 1 21 21 VAL CG1 C 13 19.941 0.52 . 1 . . . . . . . . 5710 1 157 . 1 1 21 21 VAL HG11 H 1 0.612 0.01 . 2 . . . . . . . . 5710 1 158 . 1 1 21 21 VAL HG12 H 1 0.612 0.01 . 2 . . . . . . . . 5710 1 159 . 1 1 21 21 VAL HG13 H 1 0.612 0.01 . 2 . . . . . . . . 5710 1 160 . 1 1 22 22 ARG N N 15 125.848 0.35 . 1 . . . . . . . . 5710 1 161 . 1 1 22 22 ARG H H 1 8.495 0.01 . 1 . . . . . . . . 5710 1 162 . 1 1 22 22 ARG CA C 13 53.936 0.52 . 1 . . . . . . . . 5710 1 163 . 1 1 22 22 ARG HA H 1 5.241 0.01 . 1 . . . . . . . . 5710 1 164 . 1 1 22 22 ARG CB C 13 34.372 0.52 . 1 . . . . . . . . 5710 1 165 . 1 1 22 22 ARG HB3 H 1 1.657 0.01 . 2 . . . . . . . . 5710 1 166 . 1 1 22 22 ARG HB2 H 1 1.707 0.01 . 2 . . . . . . . . 5710 1 167 . 1 1 22 22 ARG CG C 13 27.874 0.52 . 1 . . . . . . . . 5710 1 168 . 1 1 22 22 ARG HG3 H 1 1.140 0.01 . 2 . . . . . . . . 5710 1 169 . 1 1 22 22 ARG HG2 H 1 1.348 0.01 . 2 . . . . . . . . 5710 1 170 . 1 1 22 22 ARG CD C 13 43.152 0.52 . 1 . . . . . . . . 5710 1 171 . 1 1 22 22 ARG HD2 H 1 3.175 0.01 . 2 . . . . . . . . 5710 1 172 . 1 1 23 23 ILE N N 15 126.648 0.35 . 1 . . . . . . . . 5710 1 173 . 1 1 23 23 ILE H H 1 8.888 0.01 . 1 . . . . . . . . 5710 1 174 . 1 1 23 23 ILE CA C 13 71.699 0.52 . 1 . . . . . . . . 5710 1 175 . 1 1 23 23 ILE HA H 1 3.860 0.01 . 1 . . . . . . . . 5710 1 176 . 1 1 23 23 ILE CB C 13 35.007 0.52 . 1 . . . . . . . . 5710 1 177 . 1 1 23 23 ILE HB H 1 2.245 0.01 . 1 . . . . . . . . 5710 1 178 . 1 1 23 23 ILE CG1 C 13 27.874 0.52 . 2 . . . . . . . . 5710 1 179 . 1 1 23 23 ILE HG13 H 1 0.937 0.01 . 1 . . . . . . . . 5710 1 180 . 1 1 23 23 ILE HG12 H 1 1.473 0.01 . 1 . . . . . . . . 5710 1 181 . 1 1 23 23 ILE CD1 C 13 13.771 0.52 . 1 . . . . . . . . 5710 1 182 . 1 1 23 23 ILE HD11 H 1 0.790 0.01 . 1 . . . . . . . . 5710 1 183 . 1 1 23 23 ILE HD12 H 1 0.790 0.01 . 1 . . . . . . . . 5710 1 184 . 1 1 23 23 ILE HD13 H 1 0.790 0.01 . 1 . . . . . . . . 5710 1 185 . 1 1 23 23 ILE CG2 C 13 18.765 0.52 . 1 . . . . . . . . 5710 1 186 . 1 1 23 23 ILE HG21 H 1 0.433 0.01 . 1 . . . . . . . . 5710 1 187 . 1 1 23 23 ILE HG22 H 1 0.433 0.01 . 1 . . . . . . . . 5710 1 188 . 1 1 23 23 ILE HG23 H 1 0.433 0.01 . 1 . . . . . . . . 5710 1 189 . 1 1 24 24 ALA N N 15 134.381 0.35 . 1 . . . . . . . . 5710 1 190 . 1 1 24 24 ALA H H 1 7.898 0.01 . 1 . . . . . . . . 5710 1 191 . 1 1 24 24 ALA CA C 13 54.089 0.52 . 1 . . . . . . . . 5710 1 192 . 1 1 24 24 ALA HA H 1 3.795 0.01 . 1 . . . . . . . . 5710 1 193 . 1 1 24 24 ALA CB C 13 17.636 0.52 . 1 . . . . . . . . 5710 1 194 . 1 1 24 24 ALA HB1 H 1 0.344 0.01 . 1 . . . . . . . . 5710 1 195 . 1 1 24 24 ALA HB2 H 1 0.344 0.01 . 1 . . . . . . . . 5710 1 196 . 1 1 24 24 ALA HB3 H 1 0.344 0.01 . 1 . . . . . . . . 5710 1 197 . 1 1 25 25 ARG N N 15 112.445 0.35 . 1 . . . . . . . . 5710 1 198 . 1 1 25 25 ARG H H 1 7.161 0.01 . 1 . . . . . . . . 5710 1 199 . 1 1 25 25 ARG CA C 13 54.710 0.52 . 1 . . . . . . . . 5710 1 200 . 1 1 25 25 ARG HA H 1 4.616 0.01 . 1 . . . . . . . . 5710 1 201 . 1 1 25 25 ARG CB C 13 34.200 0.52 . 1 . . . . . . . . 5710 1 202 . 1 1 25 25 ARG HB3 H 1 1.451 0.01 . 2 . . . . . . . . 5710 1 203 . 1 1 25 25 ARG HB2 H 1 1.633 0.01 . 2 . . . . . . . . 5710 1 204 . 1 1 25 25 ARG CG C 13 27.286 0.52 . 1 . . . . . . . . 5710 1 205 . 1 1 25 25 ARG HG2 H 1 1.389 0.01 . 2 . . . . . . . . 5710 1 206 . 1 1 25 25 ARG CD C 13 43.299 0.52 . 1 . . . . . . . . 5710 1 207 . 1 1 25 25 ARG HD3 H 1 3.049 0.01 . 2 . . . . . . . . 5710 1 208 . 1 1 25 25 ARG HD2 H 1 3.146 0.01 . 2 . . . . . . . . 5710 1 209 . 1 1 26 26 SER N N 15 115.436 0.35 . 1 . . . . . . . . 5710 1 210 . 1 1 26 26 SER H H 1 8.503 0.01 . 1 . . . . . . . . 5710 1 211 . 1 1 26 26 SER CA C 13 57.641 0.52 . 1 . . . . . . . . 5710 1 212 . 1 1 26 26 SER HA H 1 4.759 0.01 . 1 . . . . . . . . 5710 1 213 . 1 1 26 26 SER CB C 13 64.971 0.52 . 1 . . . . . . . . 5710 1 214 . 1 1 26 26 SER HB3 H 1 3.269 0.01 . 2 . . . . . . . . 5710 1 215 . 1 1 26 26 SER HB2 H 1 3.714 0.01 . 2 . . . . . . . . 5710 1 216 . 1 1 27 27 VAL N N 15 122.662 0.35 . 1 . . . . . . . . 5710 1 217 . 1 1 27 27 VAL H H 1 8.047 0.01 . 1 . . . . . . . . 5710 1 218 . 1 1 27 27 VAL CA C 13 63.951 0.52 . 1 . . . . . . . . 5710 1 219 . 1 1 27 27 VAL HA H 1 4.029 0.01 . 1 . . . . . . . . 5710 1 220 . 1 1 27 27 VAL CB C 13 31.719 0.52 . 1 . . . . . . . . 5710 1 221 . 1 1 27 27 VAL HB H 1 2.085 0.01 . 1 . . . . . . . . 5710 1 222 . 1 1 27 27 VAL CG2 C 13 19.941 0.52 . 1 . . . . . . . . 5710 1 223 . 1 1 27 27 VAL HG21 H 1 0.873 0.01 . 2 . . . . . . . . 5710 1 224 . 1 1 27 27 VAL HG22 H 1 0.873 0.01 . 2 . . . . . . . . 5710 1 225 . 1 1 27 27 VAL HG23 H 1 0.873 0.01 . 2 . . . . . . . . 5710 1 226 . 1 1 27 27 VAL CG1 C 13 20.969 0.52 . 1 . . . . . . . . 5710 1 227 . 1 1 27 27 VAL HG11 H 1 0.876 0.01 . 2 . . . . . . . . 5710 1 228 . 1 1 27 27 VAL HG12 H 1 0.876 0.01 . 2 . . . . . . . . 5710 1 229 . 1 1 27 27 VAL HG13 H 1 0.876 0.01 . 2 . . . . . . . . 5710 1 230 . 1 1 28 28 HIS N N 15 120.655 0.35 . 1 . . . . . . . . 5710 1 231 . 1 1 28 28 HIS H H 1 8.146 0.01 . 1 . . . . . . . . 5710 1 232 . 1 1 28 28 HIS CA C 13 54.000 0.52 . 1 . . . . . . . . 5710 1 233 . 1 1 28 28 HIS HA H 1 4.803 0.01 . 1 . . . . . . . . 5710 1 234 . 1 1 28 28 HIS CB C 13 28.651 0.52 . 1 . . . . . . . . 5710 1 235 . 1 1 28 28 HIS HB3 H 1 2.949 0.01 . 2 . . . . . . . . 5710 1 236 . 1 1 28 28 HIS HB2 H 1 3.013 0.01 . 2 . . . . . . . . 5710 1 237 . 1 1 29 29 ARG N N 15 126.389 0.35 . 1 . . . . . . . . 5710 1 238 . 1 1 29 29 ARG H H 1 8.640 0.01 . 1 . . . . . . . . 5710 1 239 . 1 1 29 29 ARG CA C 13 58.973 0.52 . 1 . . . . . . . . 5710 1 240 . 1 1 29 29 ARG HA H 1 3.866 0.01 . 1 . . . . . . . . 5710 1 241 . 1 1 29 29 ARG CB C 13 29.960 0.52 . 1 . . . . . . . . 5710 1 242 . 1 1 29 29 ARG HB2 H 1 1.851 0.01 . 2 . . . . . . . . 5710 1 243 . 1 1 29 29 ARG CG C 13 29.343 0.52 . 1 . . . . . . . . 5710 1 244 . 1 1 29 29 ARG HG2 H 1 1.697 0.01 . 2 . . . . . . . . 5710 1 245 . 1 1 29 29 ARG CD C 13 43.152 0.52 . 1 . . . . . . . . 5710 1 246 . 1 1 29 29 ARG HD2 H 1 3.202 0.01 . 2 . . . . . . . . 5710 1 247 . 1 1 30 30 ASP N N 15 115.949 0.35 . 1 . . . . . . . . 5710 1 248 . 1 1 30 30 ASP H H 1 8.815 0.01 . 1 . . . . . . . . 5710 1 249 . 1 1 30 30 ASP CA C 13 55.715 0.52 . 1 . . . . . . . . 5710 1 250 . 1 1 30 30 ASP HA H 1 4.381 0.01 . 1 . . . . . . . . 5710 1 251 . 1 1 30 30 ASP CB C 13 39.043 0.52 . 1 . . . . . . . . 5710 1 252 . 1 1 30 30 ASP HB3 H 1 2.518 0.01 . 2 . . . . . . . . 5710 1 253 . 1 1 30 30 ASP HB2 H 1 2.714 0.01 . 2 . . . . . . . . 5710 1 254 . 1 1 31 31 ILE N N 15 111.775 0.35 . 1 . . . . . . . . 5710 1 255 . 1 1 31 31 ILE H H 1 7.166 0.01 . 1 . . . . . . . . 5710 1 256 . 1 1 31 31 ILE CA C 13 60.605 0.52 . 1 . . . . . . . . 5710 1 257 . 1 1 31 31 ILE HA H 1 4.538 0.01 . 1 . . . . . . . . 5710 1 258 . 1 1 31 31 ILE CB C 13 38.481 0.52 . 1 . . . . . . . . 5710 1 259 . 1 1 31 31 ILE HB H 1 2.044 0.01 . 1 . . . . . . . . 5710 1 260 . 1 1 31 31 ILE CG1 C 13 26.258 0.52 . 2 . . . . . . . . 5710 1 261 . 1 1 31 31 ILE HG13 H 1 1.204 0.01 . 1 . . . . . . . . 5710 1 262 . 1 1 31 31 ILE HG12 H 1 1.322 0.01 . 1 . . . . . . . . 5710 1 263 . 1 1 31 31 ILE CD1 C 13 14.064 0.52 . 1 . . . . . . . . 5710 1 264 . 1 1 31 31 ILE HD11 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 265 . 1 1 31 31 ILE HD12 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 266 . 1 1 31 31 ILE HD13 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 267 . 1 1 31 31 ILE CG2 C 13 17.443 0.52 . 1 . . . . . . . . 5710 1 268 . 1 1 31 31 ILE HG21 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 269 . 1 1 31 31 ILE HG22 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 270 . 1 1 31 31 ILE HG23 H 1 0.789 0.01 . 1 . . . . . . . . 5710 1 271 . 1 1 32 32 GLN N N 15 121.283 0.35 . 1 . . . . . . . . 5710 1 272 . 1 1 32 32 GLN H H 1 7.188 0.01 . 1 . . . . . . . . 5710 1 273 . 1 1 32 32 GLN CA C 13 58.746 0.52 . 1 . . . . . . . . 5710 1 274 . 1 1 32 32 GLN HA H 1 3.535 0.01 . 1 . . . . . . . . 5710 1 275 . 1 1 32 32 GLN CB C 13 28.537 0.52 . 1 . . . . . . . . 5710 1 276 . 1 1 32 32 GLN HB3 H 1 1.993 0.01 . 2 . . . . . . . . 5710 1 277 . 1 1 32 32 GLN HB2 H 1 2.050 0.01 . 2 . . . . . . . . 5710 1 278 . 1 1 32 32 GLN CG C 13 34.925 0.52 . 1 . . . . . . . . 5710 1 279 . 1 1 32 32 GLN HG2 H 1 2.135 0.01 . 2 . . . . . . . . 5710 1 280 . 1 1 32 32 GLN NE2 N 15 111.314 0.35 . 1 . . . . . . . . 5710 1 281 . 1 1 32 32 GLN HE21 H 1 7.451 0.01 . 2 . . . . . . . . 5710 1 282 . 1 1 32 32 GLN HE22 H 1 6.818 0.01 . 2 . . . . . . . . 5710 1 283 . 1 1 33 33 GLY N N 15 114.847 0.35 . 1 . . . . . . . . 5710 1 284 . 1 1 33 33 GLY H H 1 8.829 0.01 . 1 . . . . . . . . 5710 1 285 . 1 1 33 33 GLY CA C 13 45.141 0.52 . 1 . . . . . . . . 5710 1 286 . 1 1 33 33 GLY HA3 H 1 3.495 0.01 . 2 . . . . . . . . 5710 1 287 . 1 1 33 33 GLY HA2 H 1 4.303 0.01 . 2 . . . . . . . . 5710 1 288 . 1 1 34 34 ILE N N 15 121.309 0.35 . 1 . . . . . . . . 5710 1 289 . 1 1 34 34 ILE H H 1 7.252 0.01 . 1 . . . . . . . . 5710 1 290 . 1 1 34 34 ILE CA C 13 62.838 0.52 . 1 . . . . . . . . 5710 1 291 . 1 1 34 34 ILE HA H 1 4.030 0.01 . 1 . . . . . . . . 5710 1 292 . 1 1 34 34 ILE CB C 13 38.048 0.52 . 1 . . . . . . . . 5710 1 293 . 1 1 34 34 ILE HB H 1 1.893 0.01 . 1 . . . . . . . . 5710 1 294 . 1 1 34 34 ILE CG1 C 13 28.461 0.52 . 2 . . . . . . . . 5710 1 295 . 1 1 34 34 ILE HG13 H 1 1.293 0.01 . 1 . . . . . . . . 5710 1 296 . 1 1 34 34 ILE HG12 H 1 1.490 0.01 . 1 . . . . . . . . 5710 1 297 . 1 1 34 34 ILE CD1 C 13 17.443 0.52 . 1 . . . . . . . . 5710 1 298 . 1 1 34 34 ILE HD11 H 1 0.818 0.01 . 1 . . . . . . . . 5710 1 299 . 1 1 34 34 ILE HD12 H 1 0.818 0.01 . 1 . . . . . . . . 5710 1 300 . 1 1 34 34 ILE HD13 H 1 0.818 0.01 . 1 . . . . . . . . 5710 1 301 . 1 1 34 34 ILE HG21 H 1 0.602 0.01 . 1 . . . . . . . . 5710 1 302 . 1 1 34 34 ILE HG22 H 1 0.602 0.01 . 1 . . . . . . . . 5710 1 303 . 1 1 34 34 ILE HG23 H 1 0.602 0.01 . 1 . . . . . . . . 5710 1 304 . 1 1 35 35 SER N N 15 120.022 0.35 . 1 . . . . . . . . 5710 1 305 . 1 1 35 35 SER H H 1 8.263 0.01 . 1 . . . . . . . . 5710 1 306 . 1 1 35 35 SER CA C 13 56.110 0.52 . 1 . . . . . . . . 5710 1 307 . 1 1 35 35 SER HA H 1 5.527 0.01 . 1 . . . . . . . . 5710 1 308 . 1 1 35 35 SER CB C 13 66.667 0.52 . 1 . . . . . . . . 5710 1 309 . 1 1 35 35 SER HB3 H 1 3.730 0.01 . 2 . . . . . . . . 5710 1 310 . 1 1 35 35 SER HB2 H 1 3.899 0.01 . 2 . . . . . . . . 5710 1 311 . 1 1 36 36 GLY N N 15 108.976 0.35 . 1 . . . . . . . . 5710 1 312 . 1 1 36 36 GLY H H 1 8.611 0.01 . 1 . . . . . . . . 5710 1 313 . 1 1 36 36 GLY CA C 13 46.600 0.52 . 1 . . . . . . . . 5710 1 314 . 1 1 36 36 GLY HA3 H 1 4.121 0.01 . 2 . . . . . . . . 5710 1 315 . 1 1 36 36 GLY HA2 H 1 4.277 0.01 . 2 . . . . . . . . 5710 1 316 . 1 1 37 37 ARG N N 15 124.093 0.35 . 1 . . . . . . . . 5710 1 317 . 1 1 37 37 ARG H H 1 8.660 0.01 . 1 . . . . . . . . 5710 1 318 . 1 1 37 37 ARG CA C 13 53.991 0.52 . 1 . . . . . . . . 5710 1 319 . 1 1 37 37 ARG HA H 1 5.319 0.01 . 1 . . . . . . . . 5710 1 320 . 1 1 37 37 ARG CB C 13 33.753 0.52 . 1 . . . . . . . . 5710 1 321 . 1 1 37 37 ARG HB2 H 1 1.672 0.01 . 2 . . . . . . . . 5710 1 322 . 1 1 37 37 ARG CG C 13 27.280 0.52 . 1 . . . . . . . . 5710 1 323 . 1 1 37 37 ARG HG3 H 1 1.298 0.01 . 2 . . . . . . . . 5710 1 324 . 1 1 37 37 ARG HG2 H 1 1.471 0.01 . 2 . . . . . . . . 5710 1 325 . 1 1 37 37 ARG CD C 13 43.446 0.52 . 1 . . . . . . . . 5710 1 326 . 1 1 37 37 ARG HD2 H 1 3.146 0.01 . 2 . . . . . . . . 5710 1 327 . 1 1 38 38 VAL N N 15 124.798 0.35 . 1 . . . . . . . . 5710 1 328 . 1 1 38 38 VAL H H 1 8.836 0.01 . 1 . . . . . . . . 5710 1 329 . 1 1 38 38 VAL CA C 13 64.493 0.52 . 1 . . . . . . . . 5710 1 330 . 1 1 38 38 VAL HA H 1 4.108 0.01 . 1 . . . . . . . . 5710 1 331 . 1 1 38 38 VAL CB C 13 31.426 0.52 . 1 . . . . . . . . 5710 1 332 . 1 1 38 38 VAL HB H 1 2.623 0.01 . 1 . . . . . . . . 5710 1 333 . 1 1 38 38 VAL CG2 C 13 23.319 0.52 . 1 . . . . . . . . 5710 1 334 . 1 1 38 38 VAL HG21 H 1 0.863 0.01 . 2 . . . . . . . . 5710 1 335 . 1 1 38 38 VAL HG22 H 1 0.863 0.01 . 2 . . . . . . . . 5710 1 336 . 1 1 38 38 VAL HG23 H 1 0.863 0.01 . 2 . . . . . . . . 5710 1 337 . 1 1 38 38 VAL CG1 C 13 23.026 0.52 . 1 . . . . . . . . 5710 1 338 . 1 1 38 38 VAL HG11 H 1 1.066 0.01 . 2 . . . . . . . . 5710 1 339 . 1 1 38 38 VAL HG12 H 1 1.066 0.01 . 2 . . . . . . . . 5710 1 340 . 1 1 38 38 VAL HG13 H 1 1.066 0.01 . 2 . . . . . . . . 5710 1 341 . 1 1 39 39 VAL N N 15 123.236 0.35 . 1 . . . . . . . . 5710 1 342 . 1 1 39 39 VAL H H 1 9.254 0.01 . 1 . . . . . . . . 5710 1 343 . 1 1 39 39 VAL CA C 13 61.459 0.52 . 1 . . . . . . . . 5710 1 344 . 1 1 39 39 VAL HA H 1 4.681 0.01 . 1 . . . . . . . . 5710 1 345 . 1 1 39 39 VAL CB C 13 33.687 0.52 . 1 . . . . . . . . 5710 1 346 . 1 1 39 39 VAL HB H 1 2.261 0.01 . 1 . . . . . . . . 5710 1 347 . 1 1 39 39 VAL CG2 C 13 19.059 0.52 . 1 . . . . . . . . 5710 1 348 . 1 1 39 39 VAL HG21 H 1 0.739 0.01 . 2 . . . . . . . . 5710 1 349 . 1 1 39 39 VAL HG22 H 1 0.739 0.01 . 2 . . . . . . . . 5710 1 350 . 1 1 39 39 VAL HG23 H 1 0.739 0.01 . 2 . . . . . . . . 5710 1 351 . 1 1 39 39 VAL CG1 C 13 22.144 0.52 . 1 . . . . . . . . 5710 1 352 . 1 1 39 39 VAL HG11 H 1 0.947 0.01 . 2 . . . . . . . . 5710 1 353 . 1 1 39 39 VAL HG12 H 1 0.947 0.01 . 2 . . . . . . . . 5710 1 354 . 1 1 39 39 VAL HG13 H 1 0.947 0.01 . 2 . . . . . . . . 5710 1 355 . 1 1 40 40 ASP N N 15 119.205 0.35 . 1 . . . . . . . . 5710 1 356 . 1 1 40 40 ASP H H 1 7.948 0.01 . 1 . . . . . . . . 5710 1 357 . 1 1 40 40 ASP CA C 13 53.909 0.52 . 1 . . . . . . . . 5710 1 358 . 1 1 40 40 ASP HA H 1 4.759 0.01 . 1 . . . . . . . . 5710 1 359 . 1 1 40 40 ASP CB C 13 43.991 0.52 . 1 . . . . . . . . 5710 1 360 . 1 1 40 40 ASP HB3 H 1 2.380 0.01 . 2 . . . . . . . . 5710 1 361 . 1 1 40 40 ASP HB2 H 1 2.706 0.01 . 2 . . . . . . . . 5710 1 362 . 1 1 41 41 GLU N N 15 122.578 0.35 . 1 . . . . . . . . 5710 1 363 . 1 1 41 41 GLU H H 1 8.510 0.01 . 1 . . . . . . . . 5710 1 364 . 1 1 41 41 GLU CA C 13 55.778 0.52 . 1 . . . . . . . . 5710 1 365 . 1 1 41 41 GLU HA H 1 4.316 0.01 . 1 . . . . . . . . 5710 1 366 . 1 1 41 41 GLU CB C 13 32.814 0.52 . 1 . . . . . . . . 5710 1 367 . 1 1 41 41 GLU HB3 H 1 1.500 0.01 . 2 . . . . . . . . 5710 1 368 . 1 1 41 41 GLU HB2 H 1 1.836 0.01 . 2 . . . . . . . . 5710 1 369 . 1 1 41 41 GLU HG3 H 1 1.710 0.01 . 2 . . . . . . . . 5710 1 370 . 1 1 41 41 GLU HG2 H 1 2.107 0.01 . 2 . . . . . . . . 5710 1 371 . 1 1 42 42 THR N N 15 117.841 0.35 . 1 . . . . . . . . 5710 1 372 . 1 1 42 42 THR H H 1 8.737 0.01 . 1 . . . . . . . . 5710 1 373 . 1 1 42 42 THR CA C 13 59.814 0.52 . 1 . . . . . . . . 5710 1 374 . 1 1 42 42 THR HA H 1 4.863 0.01 . 1 . . . . . . . . 5710 1 375 . 1 1 42 42 THR CB C 13 71.314 0.52 . 1 . . . . . . . . 5710 1 376 . 1 1 42 42 THR HB H 1 4.701 0.01 . 1 . . . . . . . . 5710 1 377 . 1 1 42 42 THR CG2 C 13 20.822 0.52 . 1 . . . . . . . . 5710 1 378 . 1 1 42 42 THR HG21 H 1 1.099 0.01 . 1 . . . . . . . . 5710 1 379 . 1 1 42 42 THR HG22 H 1 1.099 0.01 . 1 . . . . . . . . 5710 1 380 . 1 1 42 42 THR HG23 H 1 1.099 0.01 . 1 . . . . . . . . 5710 1 381 . 1 1 43 43 ARG N N 15 120.764 0.35 . 1 . . . . . . . . 5710 1 382 . 1 1 43 43 ARG H H 1 8.934 0.01 . 1 . . . . . . . . 5710 1 383 . 1 1 43 43 ARG CA C 13 60.428 0.52 . 1 . . . . . . . . 5710 1 384 . 1 1 43 43 ARG HA H 1 4.123 0.01 . 1 . . . . . . . . 5710 1 385 . 1 1 43 43 ARG CB C 13 30.403 0.52 . 1 . . . . . . . . 5710 1 386 . 1 1 43 43 ARG HB3 H 1 1.804 0.01 . 2 . . . . . . . . 5710 1 387 . 1 1 43 43 ARG HB2 H 1 1.949 0.01 . 2 . . . . . . . . 5710 1 388 . 1 1 43 43 ARG CG C 13 27.139 0.52 . 1 . . . . . . . . 5710 1 389 . 1 1 43 43 ARG HG2 H 1 1.575 0.01 . 2 . . . . . . . . 5710 1 390 . 1 1 43 43 ARG CD C 13 43.446 0.52 . 1 . . . . . . . . 5710 1 391 . 1 1 43 43 ARG HD2 H 1 3.201 0.01 . 2 . . . . . . . . 5710 1 392 . 1 1 44 44 ASN N N 15 108.750 0.35 . 1 . . . . . . . . 5710 1 393 . 1 1 44 44 ASN H H 1 8.082 0.01 . 1 . . . . . . . . 5710 1 394 . 1 1 44 44 ASN CA C 13 53.526 0.52 . 1 . . . . . . . . 5710 1 395 . 1 1 44 44 ASN HA H 1 5.137 0.01 . 1 . . . . . . . . 5710 1 396 . 1 1 44 44 ASN CB C 13 41.668 0.52 . 1 . . . . . . . . 5710 1 397 . 1 1 44 44 ASN HB2 H 1 2.935 0.01 . 2 . . . . . . . . 5710 1 398 . 1 1 44 44 ASN ND2 N 15 114.328 0.35 . 1 . . . . . . . . 5710 1 399 . 1 1 44 44 ASN HD21 H 1 7.653 0.01 . 2 . . . . . . . . 5710 1 400 . 1 1 44 44 ASN HD22 H 1 6.981 0.01 . 2 . . . . . . . . 5710 1 401 . 1 1 45 45 THR N N 15 112.543 0.35 . 1 . . . . . . . . 5710 1 402 . 1 1 45 45 THR H H 1 7.807 0.01 . 1 . . . . . . . . 5710 1 403 . 1 1 45 45 THR CA C 13 60.951 0.52 . 1 . . . . . . . . 5710 1 404 . 1 1 45 45 THR HA H 1 5.345 0.01 . 1 . . . . . . . . 5710 1 405 . 1 1 45 45 THR CB C 13 73.737 0.52 . 1 . . . . . . . . 5710 1 406 . 1 1 45 45 THR HB H 1 3.921 0.01 . 1 . . . . . . . . 5710 1 407 . 1 1 45 45 THR CG2 C 13 21.263 0.52 . 1 . . . . . . . . 5710 1 408 . 1 1 45 45 THR HG21 H 1 0.968 0.01 . 1 . . . . . . . . 5710 1 409 . 1 1 45 45 THR HG22 H 1 0.968 0.01 . 1 . . . . . . . . 5710 1 410 . 1 1 45 45 THR HG23 H 1 0.968 0.01 . 1 . . . . . . . . 5710 1 411 . 1 1 46 46 LEU N N 15 119.153 0.35 . 1 . . . . . . . . 5710 1 412 . 1 1 46 46 LEU H H 1 8.712 0.01 . 1 . . . . . . . . 5710 1 413 . 1 1 46 46 LEU CA C 13 54.101 0.52 . 1 . . . . . . . . 5710 1 414 . 1 1 46 46 LEU HA H 1 4.915 0.01 . 1 . . . . . . . . 5710 1 415 . 1 1 46 46 LEU CB C 13 46.405 0.52 . 1 . . . . . . . . 5710 1 416 . 1 1 46 46 LEU HB3 H 1 1.342 0.01 . 2 . . . . . . . . 5710 1 417 . 1 1 46 46 LEU HB2 H 1 1.480 0.01 . 2 . . . . . . . . 5710 1 418 . 1 1 46 46 LEU CG C 13 26.845 0.52 . 1 . . . . . . . . 5710 1 419 . 1 1 46 46 LEU HG H 1 1.404 0.01 . 1 . . . . . . . . 5710 1 420 . 1 1 46 46 LEU CD1 C 13 24.789 0.52 . 1 . . . . . . . . 5710 1 421 . 1 1 46 46 LEU HD11 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 422 . 1 1 46 46 LEU HD12 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 423 . 1 1 46 46 LEU HD13 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 424 . 1 1 46 46 LEU CD2 C 13 25.670 0.52 . 1 . . . . . . . . 5710 1 425 . 1 1 46 46 LEU HD21 H 1 0.364 0.01 . 2 . . . . . . . . 5710 1 426 . 1 1 46 46 LEU HD22 H 1 0.364 0.01 . 2 . . . . . . . . 5710 1 427 . 1 1 46 46 LEU HD23 H 1 0.364 0.01 . 2 . . . . . . . . 5710 1 428 . 1 1 47 47 ARG N N 15 124.052 0.35 . 1 . . . . . . . . 5710 1 429 . 1 1 47 47 ARG H H 1 8.332 0.01 . 1 . . . . . . . . 5710 1 430 . 1 1 47 47 ARG CA C 13 55.203 0.52 . 1 . . . . . . . . 5710 1 431 . 1 1 47 47 ARG HA H 1 5.306 0.01 . 1 . . . . . . . . 5710 1 432 . 1 1 47 47 ARG CB C 13 32.735 0.52 . 1 . . . . . . . . 5710 1 433 . 1 1 47 47 ARG HB3 H 1 1.610 0.01 . 2 . . . . . . . . 5710 1 434 . 1 1 47 47 ARG HB2 H 1 1.711 0.01 . 2 . . . . . . . . 5710 1 435 . 1 1 47 47 ARG CG C 13 27.874 0.52 . 1 . . . . . . . . 5710 1 436 . 1 1 47 47 ARG HG3 H 1 1.275 0.01 . 2 . . . . . . . . 5710 1 437 . 1 1 47 47 ARG HG2 H 1 1.404 0.01 . 2 . . . . . . . . 5710 1 438 . 1 1 47 47 ARG CD C 13 43.446 0.52 . 1 . . . . . . . . 5710 1 439 . 1 1 47 47 ARG HD3 H 1 3.019 0.01 . 2 . . . . . . . . 5710 1 440 . 1 1 47 47 ARG HD2 H 1 3.123 0.01 . 2 . . . . . . . . 5710 1 441 . 1 1 48 48 ILE N N 15 129.160 0.35 . 1 . . . . . . . . 5710 1 442 . 1 1 48 48 ILE H H 1 9.282 0.01 . 1 . . . . . . . . 5710 1 443 . 1 1 48 48 ILE CA C 13 59.747 0.52 . 1 . . . . . . . . 5710 1 444 . 1 1 48 48 ILE HA H 1 4.707 0.01 . 1 . . . . . . . . 5710 1 445 . 1 1 48 48 ILE CB C 13 42.185 0.52 . 1 . . . . . . . . 5710 1 446 . 1 1 48 48 ILE HB H 1 1.568 0.01 . 1 . . . . . . . . 5710 1 447 . 1 1 48 48 ILE CG1 C 13 27.874 0.52 . 2 . . . . . . . . 5710 1 448 . 1 1 48 48 ILE HG12 H 1 1.463 0.01 . 1 . . . . . . . . 5710 1 449 . 1 1 48 48 ILE CD1 C 13 14.358 0.52 . 1 . . . . . . . . 5710 1 450 . 1 1 48 48 ILE HD11 H 1 0.672 0.01 . 1 . . . . . . . . 5710 1 451 . 1 1 48 48 ILE HD12 H 1 0.672 0.01 . 1 . . . . . . . . 5710 1 452 . 1 1 48 48 ILE HD13 H 1 0.672 0.01 . 1 . . . . . . . . 5710 1 453 . 1 1 48 48 ILE CG2 C 13 15.974 0.52 . 1 . . . . . . . . 5710 1 454 . 1 1 48 48 ILE HG21 H 1 0.472 0.01 . 1 . . . . . . . . 5710 1 455 . 1 1 48 48 ILE HG22 H 1 0.472 0.01 . 1 . . . . . . . . 5710 1 456 . 1 1 48 48 ILE HG23 H 1 0.472 0.01 . 1 . . . . . . . . 5710 1 457 . 1 1 49 49 GLU N N 15 128.130 0.35 . 1 . . . . . . . . 5710 1 458 . 1 1 49 49 GLU H H 1 9.238 0.01 . 1 . . . . . . . . 5710 1 459 . 1 1 49 49 GLU CA C 13 55.108 0.52 . 1 . . . . . . . . 5710 1 460 . 1 1 49 49 GLU HA H 1 4.850 0.01 . 1 . . . . . . . . 5710 1 461 . 1 1 49 49 GLU CB C 13 32.095 0.52 . 1 . . . . . . . . 5710 1 462 . 1 1 49 49 GLU HB3 H 1 1.935 0.01 . 2 . . . . . . . . 5710 1 463 . 1 1 49 49 GLU HB2 H 1 2.076 0.01 . 2 . . . . . . . . 5710 1 464 . 1 1 49 49 GLU CG C 13 36.688 0.52 . 1 . . . . . . . . 5710 1 465 . 1 1 49 49 GLU HG2 H 1 2.291 0.01 . 2 . . . . . . . . 5710 1 466 . 1 1 50 50 MET N N 15 129.207 0.35 . 1 . . . . . . . . 5710 1 467 . 1 1 50 50 MET H H 1 9.390 0.01 . 1 . . . . . . . . 5710 1 468 . 1 1 50 50 MET CA C 13 56.536 0.52 . 1 . . . . . . . . 5710 1 469 . 1 1 50 50 MET HA H 1 4.811 0.01 . 1 . . . . . . . . 5710 1 470 . 1 1 50 50 MET CB C 13 34.549 0.52 . 1 . . . . . . . . 5710 1 471 . 1 1 50 50 MET HB2 H 1 2.429 0.01 . 2 . . . . . . . . 5710 1 472 . 1 1 50 50 MET CG C 13 32.722 0.52 . 1 . . . . . . . . 5710 1 473 . 1 1 50 50 MET HG2 H 1 2.538 0.01 . 2 . . . . . . . . 5710 1 474 . 1 1 50 50 MET CE C 13 17.598 0.52 . 1 . . . . . . . . 5710 1 475 . 1 1 50 50 MET HE1 H 1 2.060 0.01 . 1 . . . . . . . . 5710 1 476 . 1 1 50 50 MET HE2 H 1 2.060 0.01 . 1 . . . . . . . . 5710 1 477 . 1 1 50 50 MET HE3 H 1 2.060 0.01 . 1 . . . . . . . . 5710 1 478 . 1 1 51 51 ASP N N 15 122.090 0.35 . 1 . . . . . . . . 5710 1 479 . 1 1 51 51 ASP H H 1 8.969 0.01 . 1 . . . . . . . . 5710 1 480 . 1 1 51 51 ASP CA C 13 57.174 0.52 . 1 . . . . . . . . 5710 1 481 . 1 1 51 51 ASP HA H 1 4.381 0.01 . 1 . . . . . . . . 5710 1 482 . 1 1 51 51 ASP CB C 13 40.210 0.52 . 1 . . . . . . . . 5710 1 483 . 1 1 51 51 ASP HB3 H 1 2.500 0.01 . 2 . . . . . . . . 5710 1 484 . 1 1 51 51 ASP HB2 H 1 2.708 0.01 . 2 . . . . . . . . 5710 1 485 . 1 1 52 52 ASP N N 15 116.703 0.35 . 1 . . . . . . . . 5710 1 486 . 1 1 52 52 ASP H H 1 7.837 0.01 . 1 . . . . . . . . 5710 1 487 . 1 1 52 52 ASP CA C 13 53.411 0.52 . 1 . . . . . . . . 5710 1 488 . 1 1 52 52 ASP HA H 1 4.524 0.01 . 1 . . . . . . . . 5710 1 489 . 1 1 52 52 ASP CB C 13 40.141 0.52 . 1 . . . . . . . . 5710 1 490 . 1 1 52 52 ASP HB3 H 1 2.597 0.01 . 2 . . . . . . . . 5710 1 491 . 1 1 52 52 ASP HB2 H 1 3.072 0.01 . 2 . . . . . . . . 5710 1 492 . 1 1 53 53 GLY N N 15 109.493 0.35 . 1 . . . . . . . . 5710 1 493 . 1 1 53 53 GLY H H 1 8.218 0.01 . 1 . . . . . . . . 5710 1 494 . 1 1 53 53 GLY CA C 13 45.103 0.52 . 1 . . . . . . . . 5710 1 495 . 1 1 53 53 GLY HA3 H 1 3.730 0.01 . 2 . . . . . . . . 5710 1 496 . 1 1 53 53 GLY HA2 H 1 4.342 0.01 . 2 . . . . . . . . 5710 1 497 . 1 1 54 54 ARG N N 15 121.807 0.35 . 1 . . . . . . . . 5710 1 498 . 1 1 54 54 ARG H H 1 7.887 0.01 . 1 . . . . . . . . 5710 1 499 . 1 1 54 54 ARG CA C 13 57.102 0.52 . 1 . . . . . . . . 5710 1 500 . 1 1 54 54 ARG HA H 1 4.303 0.01 . 1 . . . . . . . . 5710 1 501 . 1 1 54 54 ARG CB C 13 31.637 0.52 . 1 . . . . . . . . 5710 1 502 . 1 1 54 54 ARG HB3 H 1 1.723 0.01 . 2 . . . . . . . . 5710 1 503 . 1 1 54 54 ARG HB2 H 1 2.102 0.01 . 2 . . . . . . . . 5710 1 504 . 1 1 54 54 ARG CG C 13 27.726 0.52 . 1 . . . . . . . . 5710 1 505 . 1 1 54 54 ARG HG2 H 1 1.607 0.01 . 2 . . . . . . . . 5710 1 506 . 1 1 54 54 ARG CD C 13 43.446 0.52 . 1 . . . . . . . . 5710 1 507 . 1 1 54 54 ARG HD2 H 1 3.195 0.01 . 2 . . . . . . . . 5710 1 508 . 1 1 55 55 GLU N N 15 120.669 0.35 . 1 . . . . . . . . 5710 1 509 . 1 1 55 55 GLU H H 1 8.448 0.01 . 1 . . . . . . . . 5710 1 510 . 1 1 55 55 GLU CA C 13 54.561 0.52 . 1 . . . . . . . . 5710 1 511 . 1 1 55 55 GLU HA H 1 5.567 0.01 . 1 . . . . . . . . 5710 1 512 . 1 1 55 55 GLU CB C 13 32.790 0.52 . 1 . . . . . . . . 5710 1 513 . 1 1 55 55 GLU HB3 H 1 1.757 0.01 . 2 . . . . . . . . 5710 1 514 . 1 1 55 55 GLU HB2 H 1 1.958 0.01 . 2 . . . . . . . . 5710 1 515 . 1 1 55 55 GLU CG C 13 36.982 0.52 . 1 . . . . . . . . 5710 1 516 . 1 1 55 55 GLU HG2 H 1 2.283 0.01 . 2 . . . . . . . . 5710 1 517 . 1 1 56 56 ILE N N 15 120.962 0.35 . 1 . . . . . . . . 5710 1 518 . 1 1 56 56 ILE H H 1 9.007 0.01 . 1 . . . . . . . . 5710 1 519 . 1 1 56 56 ILE CA C 13 59.479 0.52 . 1 . . . . . . . . 5710 1 520 . 1 1 56 56 ILE HA H 1 4.642 0.01 . 1 . . . . . . . . 5710 1 521 . 1 1 56 56 ILE CB C 13 42.365 0.52 . 1 . . . . . . . . 5710 1 522 . 1 1 56 56 ILE HB H 1 1.709 0.01 . 1 . . . . . . . . 5710 1 523 . 1 1 56 56 ILE CG1 C 13 27.580 0.52 . 2 . . . . . . . . 5710 1 524 . 1 1 56 56 ILE HG13 H 1 1.010 0.01 . 1 . . . . . . . . 5710 1 525 . 1 1 56 56 ILE HG12 H 1 1.504 0.01 . 1 . . . . . . . . 5710 1 526 . 1 1 56 56 ILE CD1 C 13 13.917 0.52 . 1 . . . . . . . . 5710 1 527 . 1 1 56 56 ILE HD11 H 1 0.811 0.01 . 1 . . . . . . . . 5710 1 528 . 1 1 56 56 ILE HD12 H 1 0.811 0.01 . 1 . . . . . . . . 5710 1 529 . 1 1 56 56 ILE HD13 H 1 0.811 0.01 . 1 . . . . . . . . 5710 1 530 . 1 1 56 56 ILE CG2 C 13 16.709 0.52 . 1 . . . . . . . . 5710 1 531 . 1 1 56 56 ILE HG21 H 1 0.859 0.01 . 1 . . . . . . . . 5710 1 532 . 1 1 56 56 ILE HG22 H 1 0.859 0.01 . 1 . . . . . . . . 5710 1 533 . 1 1 56 56 ILE HG23 H 1 0.859 0.01 . 1 . . . . . . . . 5710 1 534 . 1 1 57 57 THR N N 15 124.138 0.35 . 1 . . . . . . . . 5710 1 535 . 1 1 57 57 THR H H 1 8.699 0.01 . 1 . . . . . . . . 5710 1 536 . 1 1 57 57 THR CA C 13 62.658 0.52 . 1 . . . . . . . . 5710 1 537 . 1 1 57 57 THR HA H 1 4.941 0.01 . 1 . . . . . . . . 5710 1 538 . 1 1 57 57 THR CB C 13 69.173 0.52 . 1 . . . . . . . . 5710 1 539 . 1 1 57 57 THR HB H 1 3.990 0.01 . 1 . . . . . . . . 5710 1 540 . 1 1 57 57 THR CG2 C 13 21.557 0.52 . 1 . . . . . . . . 5710 1 541 . 1 1 57 57 THR HG21 H 1 1.067 0.01 . 1 . . . . . . . . 5710 1 542 . 1 1 57 57 THR HG22 H 1 1.067 0.01 . 1 . . . . . . . . 5710 1 543 . 1 1 57 57 THR HG23 H 1 1.067 0.01 . 1 . . . . . . . . 5710 1 544 . 1 1 58 58 VAL N N 15 126.700 0.35 . 1 . . . . . . . . 5710 1 545 . 1 1 58 58 VAL H H 1 9.328 0.01 . 1 . . . . . . . . 5710 1 546 . 1 1 58 58 VAL CA C 13 57.963 0.52 . 1 . . . . . . . . 5710 1 547 . 1 1 58 58 VAL HA H 1 4.728 0.01 . 1 . . . . . . . . 5710 1 548 . 1 1 58 58 VAL CB C 13 34.921 0.52 . 1 . . . . . . . . 5710 1 549 . 1 1 58 58 VAL HB H 1 2.034 0.01 . 1 . . . . . . . . 5710 1 550 . 1 1 58 58 VAL HG21 H 1 1.875 0.01 . 2 . . . . . . . . 5710 1 551 . 1 1 58 58 VAL HG22 H 1 1.875 0.01 . 2 . . . . . . . . 5710 1 552 . 1 1 58 58 VAL HG23 H 1 1.875 0.01 . 2 . . . . . . . . 5710 1 553 . 1 1 58 58 VAL CG1 C 13 21.116 0.52 . 1 . . . . . . . . 5710 1 554 . 1 1 58 58 VAL HG11 H 1 0.919 0.01 . 2 . . . . . . . . 5710 1 555 . 1 1 58 58 VAL HG12 H 1 0.919 0.01 . 2 . . . . . . . . 5710 1 556 . 1 1 58 58 VAL HG13 H 1 0.919 0.01 . 2 . . . . . . . . 5710 1 557 . 1 1 59 59 PRO CA C 13 62.256 0.52 . 1 . . . . . . . . 5710 1 558 . 1 1 59 59 PRO HA H 1 4.632 0.01 . 1 . . . . . . . . 5710 1 559 . 1 1 59 59 PRO CB C 13 31.668 0.52 . 1 . . . . . . . . 5710 1 560 . 1 1 59 59 PRO HB3 H 1 1.918 0.01 . 2 . . . . . . . . 5710 1 561 . 1 1 59 59 PRO HB2 H 1 2.437 0.01 . 2 . . . . . . . . 5710 1 562 . 1 1 59 59 PRO CG C 13 27.874 0.52 . 1 . . . . . . . . 5710 1 563 . 1 1 59 59 PRO HG2 H 1 2.104 0.01 . 2 . . . . . . . . 5710 1 564 . 1 1 59 59 PRO CD C 13 51.232 0.52 . 1 . . . . . . . . 5710 1 565 . 1 1 59 59 PRO HD3 H 1 3.779 0.01 . 2 . . . . . . . . 5710 1 566 . 1 1 59 59 PRO HD2 H 1 3.932 0.01 . 2 . . . . . . . . 5710 1 567 . 1 1 60 60 LYS N N 15 124.276 0.35 . 1 . . . . . . . . 5710 1 568 . 1 1 60 60 LYS H H 1 8.539 0.01 . 1 . . . . . . . . 5710 1 569 . 1 1 60 60 LYS CA C 13 60.147 0.52 . 1 . . . . . . . . 5710 1 570 . 1 1 60 60 LYS HA H 1 4.332 0.01 . 1 . . . . . . . . 5710 1 571 . 1 1 60 60 LYS CB C 13 34.064 0.52 . 1 . . . . . . . . 5710 1 572 . 1 1 60 60 LYS HB2 H 1 2.204 0.01 . 2 . . . . . . . . 5710 1 573 . 1 1 60 60 LYS HG3 H 1 1.416 0.01 . 2 . . . . . . . . 5710 1 574 . 1 1 60 60 LYS HG2 H 1 1.118 0.01 . 2 . . . . . . . . 5710 1 575 . 1 1 60 60 LYS HD2 H 1 1.613 0.01 . 2 . . . . . . . . 5710 1 576 . 1 1 60 60 LYS CE C 13 41.682 0.52 . 1 . . . . . . . . 5710 1 577 . 1 1 60 60 LYS HE3 H 1 2.367 0.01 . 2 . . . . . . . . 5710 1 578 . 1 1 60 60 LYS HE2 H 1 3.137 0.01 . 2 . . . . . . . . 5710 1 579 . 1 1 61 61 GLY N N 15 98.251 0.35 . 1 . . . . . . . . 5710 1 580 . 1 1 61 61 GLY H H 1 8.587 0.01 . 1 . . . . . . . . 5710 1 581 . 1 1 61 61 GLY CA C 13 46.219 0.52 . 1 . . . . . . . . 5710 1 582 . 1 1 61 61 GLY HA3 H 1 3.694 0.01 . 2 . . . . . . . . 5710 1 583 . 1 1 61 61 GLY HA2 H 1 3.743 0.01 . 2 . . . . . . . . 5710 1 584 . 1 1 62 62 ILE N N 15 109.472 0.35 . 1 . . . . . . . . 5710 1 585 . 1 1 62 62 ILE H H 1 6.734 0.01 . 1 . . . . . . . . 5710 1 586 . 1 1 62 62 ILE CA C 13 59.615 0.52 . 1 . . . . . . . . 5710 1 587 . 1 1 62 62 ILE HA H 1 4.590 0.01 . 1 . . . . . . . . 5710 1 588 . 1 1 62 62 ILE CB C 13 39.634 0.52 . 1 . . . . . . . . 5710 1 589 . 1 1 62 62 ILE HB H 1 2.126 0.01 . 1 . . . . . . . . 5710 1 590 . 1 1 62 62 ILE CG1 C 13 26.405 0.52 . 2 . . . . . . . . 5710 1 591 . 1 1 62 62 ILE HG13 H 1 1.125 0.01 . 1 . . . . . . . . 5710 1 592 . 1 1 62 62 ILE HG12 H 1 1.303 0.01 . 1 . . . . . . . . 5710 1 593 . 1 1 62 62 ILE CD1 C 13 14.946 0.52 . 1 . . . . . . . . 5710 1 594 . 1 1 62 62 ILE HD11 H 1 0.691 0.01 . 1 . . . . . . . . 5710 1 595 . 1 1 62 62 ILE HD12 H 1 0.691 0.01 . 1 . . . . . . . . 5710 1 596 . 1 1 62 62 ILE HD13 H 1 0.691 0.01 . 1 . . . . . . . . 5710 1 597 . 1 1 62 62 ILE CG2 C 13 17.884 0.52 . 1 . . . . . . . . 5710 1 598 . 1 1 62 62 ILE HG21 H 1 0.828 0.01 . 1 . . . . . . . . 5710 1 599 . 1 1 62 62 ILE HG22 H 1 0.828 0.01 . 1 . . . . . . . . 5710 1 600 . 1 1 62 62 ILE HG23 H 1 0.828 0.01 . 1 . . . . . . . . 5710 1 601 . 1 1 63 63 ALA N N 15 125.467 0.35 . 1 . . . . . . . . 5710 1 602 . 1 1 63 63 ALA H H 1 7.453 0.01 . 1 . . . . . . . . 5710 1 603 . 1 1 63 63 ALA CA C 13 50.901 0.52 . 1 . . . . . . . . 5710 1 604 . 1 1 63 63 ALA HA H 1 5.059 0.01 . 1 . . . . . . . . 5710 1 605 . 1 1 63 63 ALA CB C 13 23.156 0.52 . 1 . . . . . . . . 5710 1 606 . 1 1 63 63 ALA HB1 H 1 0.617 0.01 . 1 . . . . . . . . 5710 1 607 . 1 1 63 63 ALA HB2 H 1 0.617 0.01 . 1 . . . . . . . . 5710 1 608 . 1 1 63 63 ALA HB3 H 1 0.617 0.01 . 1 . . . . . . . . 5710 1 609 . 1 1 64 64 VAL N N 15 119.288 0.35 . 1 . . . . . . . . 5710 1 610 . 1 1 64 64 VAL H H 1 8.111 0.01 . 1 . . . . . . . . 5710 1 611 . 1 1 64 64 VAL CA C 13 62.756 0.52 . 1 . . . . . . . . 5710 1 612 . 1 1 64 64 VAL HA H 1 4.186 0.01 . 1 . . . . . . . . 5710 1 613 . 1 1 64 64 VAL CB C 13 33.331 0.52 . 1 . . . . . . . . 5710 1 614 . 1 1 64 64 VAL HB H 1 1.659 0.01 . 1 . . . . . . . . 5710 1 615 . 1 1 64 64 VAL CG2 C 13 21.116 0.52 . 1 . . . . . . . . 5710 1 616 . 1 1 64 64 VAL HG21 H 1 0.800 0.01 . 2 . . . . . . . . 5710 1 617 . 1 1 64 64 VAL HG22 H 1 0.800 0.01 . 2 . . . . . . . . 5710 1 618 . 1 1 64 64 VAL HG23 H 1 0.800 0.01 . 2 . . . . . . . . 5710 1 619 . 1 1 64 64 VAL CG1 C 13 20.822 0.52 . 1 . . . . . . . . 5710 1 620 . 1 1 64 64 VAL HG11 H 1 0.899 0.01 . 2 . . . . . . . . 5710 1 621 . 1 1 64 64 VAL HG12 H 1 0.899 0.01 . 2 . . . . . . . . 5710 1 622 . 1 1 64 64 VAL HG13 H 1 0.899 0.01 . 2 . . . . . . . . 5710 1 623 . 1 1 65 65 PHE N N 15 125.616 0.35 . 1 . . . . . . . . 5710 1 624 . 1 1 65 65 PHE H H 1 8.790 0.01 . 1 . . . . . . . . 5710 1 625 . 1 1 65 65 PHE CA C 13 57.640 0.52 . 1 . . . . . . . . 5710 1 626 . 1 1 65 65 PHE HA H 1 4.707 0.01 . 1 . . . . . . . . 5710 1 627 . 1 1 65 65 PHE CB C 13 43.646 0.52 . 1 . . . . . . . . 5710 1 628 . 1 1 65 65 PHE HB3 H 1 2.123 0.01 . 2 . . . . . . . . 5710 1 629 . 1 1 65 65 PHE HB2 H 1 2.727 0.01 . 2 . . . . . . . . 5710 1 630 . 1 1 65 65 PHE HD1 H 1 6.898 0.01 . 1 . . . . . . . . 5710 1 631 . 1 1 65 65 PHE HE1 H 1 7.077 0.01 . 1 . . . . . . . . 5710 1 632 . 1 1 65 65 PHE HZ H 1 7.244 0.01 . 1 . . . . . . . . 5710 1 633 . 1 1 65 65 PHE HE2 H 1 7.077 0.01 . 1 . . . . . . . . 5710 1 634 . 1 1 65 65 PHE HD2 H 1 6.898 0.01 . 1 . . . . . . . . 5710 1 635 . 1 1 66 66 HIS N N 15 121.446 0.35 . 1 . . . . . . . . 5710 1 636 . 1 1 66 66 HIS H H 1 9.207 0.01 . 1 . . . . . . . . 5710 1 637 . 1 1 66 66 HIS CA C 13 53.429 0.52 . 1 . . . . . . . . 5710 1 638 . 1 1 66 66 HIS HA H 1 5.658 0.01 . 1 . . . . . . . . 5710 1 639 . 1 1 66 66 HIS CB C 13 33.296 0.52 . 1 . . . . . . . . 5710 1 640 . 1 1 66 66 HIS HB3 H 1 2.736 0.01 . 2 . . . . . . . . 5710 1 641 . 1 1 66 66 HIS HB2 H 1 3.062 0.01 . 2 . . . . . . . . 5710 1 642 . 1 1 67 67 PHE N N 15 123.999 0.35 . 1 . . . . . . . . 5710 1 643 . 1 1 67 67 PHE H H 1 9.316 0.01 . 1 . . . . . . . . 5710 1 644 . 1 1 67 67 PHE CA C 13 57.180 0.52 . 1 . . . . . . . . 5710 1 645 . 1 1 67 67 PHE HA H 1 5.397 0.01 . 1 . . . . . . . . 5710 1 646 . 1 1 67 67 PHE CB C 13 42.533 0.52 . 1 . . . . . . . . 5710 1 647 . 1 1 67 67 PHE HB3 H 1 2.666 0.01 . 2 . . . . . . . . 5710 1 648 . 1 1 67 67 PHE HB2 H 1 2.943 0.01 . 2 . . . . . . . . 5710 1 649 . 1 1 67 67 PHE HD1 H 1 7.149 0.01 . 1 . . . . . . . . 5710 1 650 . 1 1 67 67 PHE HE1 H 1 7.038 0.01 . 1 . . . . . . . . 5710 1 651 . 1 1 67 67 PHE HZ H 1 6.895 0.01 . 1 . . . . . . . . 5710 1 652 . 1 1 67 67 PHE HE2 H 1 7.038 0.01 . 1 . . . . . . . . 5710 1 653 . 1 1 67 67 PHE HD2 H 1 7.149 0.01 . 1 . . . . . . . . 5710 1 654 . 1 1 68 68 ARG N N 15 121.288 0.35 . 1 . . . . . . . . 5710 1 655 . 1 1 68 68 ARG H H 1 8.198 0.01 . 1 . . . . . . . . 5710 1 656 . 1 1 68 68 ARG CA C 13 53.699 0.52 . 1 . . . . . . . . 5710 1 657 . 1 1 68 68 ARG HA H 1 5.500 0.01 . 1 . . . . . . . . 5710 1 658 . 1 1 68 68 ARG CB C 13 32.129 0.52 . 1 . . . . . . . . 5710 1 659 . 1 1 68 68 ARG HB3 H 1 1.677 0.01 . 2 . . . . . . . . 5710 1 660 . 1 1 68 68 ARG HB2 H 1 1.755 0.01 . 2 . . . . . . . . 5710 1 661 . 1 1 68 68 ARG CG C 13 26.992 0.52 . 1 . . . . . . . . 5710 1 662 . 1 1 68 68 ARG HG2 H 1 1.553 0.01 . 2 . . . . . . . . 5710 1 663 . 1 1 68 68 ARG CD C 13 43.152 0.52 . 1 . . . . . . . . 5710 1 664 . 1 1 68 68 ARG HD2 H 1 3.072 0.01 . 2 . . . . . . . . 5710 1 665 . 1 1 69 69 THR N N 15 116.724 0.35 . 1 . . . . . . . . 5710 1 666 . 1 1 69 69 THR H H 1 9.112 0.01 . 1 . . . . . . . . 5710 1 667 . 1 1 69 69 THR CA C 13 60.779 0.52 . 1 . . . . . . . . 5710 1 668 . 1 1 69 69 THR HA H 1 4.494 0.01 . 1 . . . . . . . . 5710 1 669 . 1 1 69 69 THR CB C 13 68.261 0.52 . 1 . . . . . . . . 5710 1 670 . 1 1 69 69 THR HB H 1 4.743 0.01 . 1 . . . . . . . . 5710 1 671 . 1 1 69 69 THR CG2 C 13 21.997 0.52 . 1 . . . . . . . . 5710 1 672 . 1 1 69 69 THR HG21 H 1 1.214 0.01 . 1 . . . . . . . . 5710 1 673 . 1 1 69 69 THR HG22 H 1 1.214 0.01 . 1 . . . . . . . . 5710 1 674 . 1 1 69 69 THR HG23 H 1 1.214 0.01 . 1 . . . . . . . . 5710 1 675 . 1 1 70 70 PRO CA C 13 65.226 0.52 . 1 . . . . . . . . 5710 1 676 . 1 1 70 70 PRO HA H 1 4.194 0.01 . 1 . . . . . . . . 5710 1 677 . 1 1 70 70 PRO CB C 13 31.224 0.52 . 1 . . . . . . . . 5710 1 678 . 1 1 70 70 PRO HB3 H 1 1.877 0.01 . 2 . . . . . . . . 5710 1 679 . 1 1 70 70 PRO HB2 H 1 2.202 0.01 . 2 . . . . . . . . 5710 1 680 . 1 1 70 70 PRO CG C 13 27.286 0.52 . 1 . . . . . . . . 5710 1 681 . 1 1 70 70 PRO HG3 H 1 1.935 0.01 . 2 . . . . . . . . 5710 1 682 . 1 1 70 70 PRO HG2 H 1 1.999 0.01 . 2 . . . . . . . . 5710 1 683 . 1 1 70 70 PRO CD C 13 50.497 0.52 . 1 . . . . . . . . 5710 1 684 . 1 1 70 70 PRO HD3 H 1 3.634 0.01 . 2 . . . . . . . . 5710 1 685 . 1 1 70 70 PRO HD2 H 1 3.785 0.01 . 2 . . . . . . . . 5710 1 686 . 1 1 71 71 GLN N N 15 113.453 0.35 . 1 . . . . . . . . 5710 1 687 . 1 1 71 71 GLN H H 1 7.466 0.01 . 1 . . . . . . . . 5710 1 688 . 1 1 71 71 GLN CA C 13 56.977 0.52 . 1 . . . . . . . . 5710 1 689 . 1 1 71 71 GLN HA H 1 4.329 0.01 . 1 . . . . . . . . 5710 1 690 . 1 1 71 71 GLN CB C 13 28.391 0.52 . 1 . . . . . . . . 5710 1 691 . 1 1 71 71 GLN HB3 H 1 2.010 0.01 . 2 . . . . . . . . 5710 1 692 . 1 1 71 71 GLN HB2 H 1 2.246 0.01 . 2 . . . . . . . . 5710 1 693 . 1 1 71 71 GLN CG C 13 34.925 0.52 . 1 . . . . . . . . 5710 1 694 . 1 1 71 71 GLN HG3 H 1 2.350 0.01 . 2 . . . . . . . . 5710 1 695 . 1 1 71 71 GLN HG2 H 1 2.508 0.01 . 2 . . . . . . . . 5710 1 696 . 1 1 71 71 GLN NE2 N 15 112.944 0.35 . 1 . . . . . . . . 5710 1 697 . 1 1 71 71 GLN HE21 H 1 7.592 0.01 . 2 . . . . . . . . 5710 1 698 . 1 1 71 71 GLN HE22 H 1 6.930 0.01 . 2 . . . . . . . . 5710 1 699 . 1 1 72 72 GLY N N 15 108.718 0.35 . 1 . . . . . . . . 5710 1 700 . 1 1 72 72 GLY H H 1 8.264 0.01 . 1 . . . . . . . . 5710 1 701 . 1 1 72 72 GLY CA C 13 45.309 0.52 . 1 . . . . . . . . 5710 1 702 . 1 1 72 72 GLY HA3 H 1 3.574 0.01 . 2 . . . . . . . . 5710 1 703 . 1 1 72 72 GLY HA2 H 1 4.290 0.01 . 2 . . . . . . . . 5710 1 704 . 1 1 73 73 GLU N N 15 121.484 0.35 . 1 . . . . . . . . 5710 1 705 . 1 1 73 73 GLU H H 1 7.401 0.01 . 1 . . . . . . . . 5710 1 706 . 1 1 73 73 GLU CA C 13 56.011 0.52 . 1 . . . . . . . . 5710 1 707 . 1 1 73 73 GLU HA H 1 4.316 0.01 . 1 . . . . . . . . 5710 1 708 . 1 1 73 73 GLU CB C 13 30.632 0.52 . 1 . . . . . . . . 5710 1 709 . 1 1 73 73 GLU HB2 H 1 1.958 0.01 . 2 . . . . . . . . 5710 1 710 . 1 1 73 73 GLU CG C 13 36.394 0.52 . 1 . . . . . . . . 5710 1 711 . 1 1 73 73 GLU HG2 H 1 2.102 0.01 . 2 . . . . . . . . 5710 1 712 . 1 1 74 74 LEU N N 15 126.287 0.35 . 1 . . . . . . . . 5710 1 713 . 1 1 74 74 LEU H H 1 8.581 0.01 . 1 . . . . . . . . 5710 1 714 . 1 1 74 74 LEU CA C 13 54.419 0.52 . 1 . . . . . . . . 5710 1 715 . 1 1 74 74 LEU HA H 1 4.993 0.01 . 1 . . . . . . . . 5710 1 716 . 1 1 74 74 LEU CB C 13 43.299 0.52 . 1 . . . . . . . . 5710 1 717 . 1 1 74 74 LEU HB3 H 1 1.386 0.01 . 2 . . . . . . . . 5710 1 718 . 1 1 74 74 LEU HB2 H 1 1.568 0.01 . 2 . . . . . . . . 5710 1 719 . 1 1 74 74 LEU CG C 13 27.433 0.52 . 1 . . . . . . . . 5710 1 720 . 1 1 74 74 LEU HG H 1 1.253 0.01 . 1 . . . . . . . . 5710 1 721 . 1 1 74 74 LEU CD1 C 13 24.201 0.52 . 1 . . . . . . . . 5710 1 722 . 1 1 74 74 LEU HD11 H 1 0.661 0.01 . 2 . . . . . . . . 5710 1 723 . 1 1 74 74 LEU HD12 H 1 0.661 0.01 . 2 . . . . . . . . 5710 1 724 . 1 1 74 74 LEU HD13 H 1 0.661 0.01 . 2 . . . . . . . . 5710 1 725 . 1 1 74 74 LEU CD2 C 13 24.642 0.52 . 1 . . . . . . . . 5710 1 726 . 1 1 74 74 LEU HD21 H 1 0.592 0.01 . 2 . . . . . . . . 5710 1 727 . 1 1 74 74 LEU HD22 H 1 0.592 0.01 . 2 . . . . . . . . 5710 1 728 . 1 1 74 74 LEU HD23 H 1 0.592 0.01 . 2 . . . . . . . . 5710 1 729 . 1 1 75 75 VAL N N 15 126.396 0.35 . 1 . . . . . . . . 5710 1 730 . 1 1 75 75 VAL H H 1 9.210 0.01 . 1 . . . . . . . . 5710 1 731 . 1 1 75 75 VAL CA C 13 61.034 0.52 . 1 . . . . . . . . 5710 1 732 . 1 1 75 75 VAL HA H 1 4.407 0.01 . 1 . . . . . . . . 5710 1 733 . 1 1 75 75 VAL CB C 13 34.981 0.52 . 1 . . . . . . . . 5710 1 734 . 1 1 75 75 VAL HB H 1 1.893 0.01 . 1 . . . . . . . . 5710 1 735 . 1 1 75 75 VAL CG2 C 13 21.353 0.52 . 1 . . . . . . . . 5710 1 736 . 1 1 75 75 VAL HG21 H 1 0.852 0.01 . 2 . . . . . . . . 5710 1 737 . 1 1 75 75 VAL HG22 H 1 0.852 0.01 . 2 . . . . . . . . 5710 1 738 . 1 1 75 75 VAL HG23 H 1 0.852 0.01 . 2 . . . . . . . . 5710 1 739 . 1 1 75 75 VAL CG1 C 13 20.969 0.52 . 1 . . . . . . . . 5710 1 740 . 1 1 75 75 VAL HG11 H 1 0.825 0.01 . 2 . . . . . . . . 5710 1 741 . 1 1 75 75 VAL HG12 H 1 0.825 0.01 . 2 . . . . . . . . 5710 1 742 . 1 1 75 75 VAL HG13 H 1 0.825 0.01 . 2 . . . . . . . . 5710 1 743 . 1 1 76 76 GLU N N 15 128.844 0.35 . 1 . . . . . . . . 5710 1 744 . 1 1 76 76 GLU H H 1 8.699 0.01 . 1 . . . . . . . . 5710 1 745 . 1 1 76 76 GLU CA C 13 54.991 0.52 . 1 . . . . . . . . 5710 1 746 . 1 1 76 76 GLU HA H 1 5.384 0.01 . 1 . . . . . . . . 5710 1 747 . 1 1 76 76 GLU CB C 13 31.613 0.52 . 1 . . . . . . . . 5710 1 748 . 1 1 76 76 GLU HB3 H 1 1.787 0.01 . 2 . . . . . . . . 5710 1 749 . 1 1 76 76 GLU HB2 H 1 1.965 0.01 . 2 . . . . . . . . 5710 1 750 . 1 1 76 76 GLU HG2 H 1 2.251 0.01 . 2 . . . . . . . . 5710 1 751 . 1 1 77 77 ILE N N 15 126.700 0.35 . 1 . . . . . . . . 5710 1 752 . 1 1 77 77 ILE H H 1 9.328 0.01 . 1 . . . . . . . . 5710 1 753 . 1 1 77 77 ILE CA C 13 59.549 0.52 . 1 . . . . . . . . 5710 1 754 . 1 1 77 77 ILE HA H 1 4.636 0.01 . 1 . . . . . . . . 5710 1 755 . 1 1 77 77 ILE CB C 13 42.470 0.52 . 1 . . . . . . . . 5710 1 756 . 1 1 77 77 ILE HB H 1 1.845 0.01 . 1 . . . . . . . . 5710 1 757 . 1 1 77 77 ILE CG1 C 13 27.580 0.52 . 2 . . . . . . . . 5710 1 758 . 1 1 77 77 ILE HG13 H 1 1.188 0.01 . 1 . . . . . . . . 5710 1 759 . 1 1 77 77 ILE HG12 H 1 1.551 0.01 . 1 . . . . . . . . 5710 1 760 . 1 1 77 77 ILE CD1 C 13 13.477 0.52 . 1 . . . . . . . . 5710 1 761 . 1 1 77 77 ILE HD11 H 1 0.621 0.01 . 1 . . . . . . . . 5710 1 762 . 1 1 77 77 ILE HD12 H 1 0.621 0.01 . 1 . . . . . . . . 5710 1 763 . 1 1 77 77 ILE HD13 H 1 0.621 0.01 . 1 . . . . . . . . 5710 1 764 . 1 1 77 77 ILE CG2 C 13 17.296 0.52 . 1 . . . . . . . . 5710 1 765 . 1 1 77 77 ILE HG21 H 1 1.021 0.01 . 1 . . . . . . . . 5710 1 766 . 1 1 77 77 ILE HG22 H 1 1.021 0.01 . 1 . . . . . . . . 5710 1 767 . 1 1 77 77 ILE HG23 H 1 1.021 0.01 . 1 . . . . . . . . 5710 1 768 . 1 1 78 78 ASP N N 15 129.849 0.35 . 1 . . . . . . . . 5710 1 769 . 1 1 78 78 ASP H H 1 8.979 0.01 . 1 . . . . . . . . 5710 1 770 . 1 1 78 78 ASP CA C 13 55.021 0.52 . 1 . . . . . . . . 5710 1 771 . 1 1 78 78 ASP HA H 1 4.577 0.01 . 1 . . . . . . . . 5710 1 772 . 1 1 78 78 ASP CB C 13 41.924 0.52 . 1 . . . . . . . . 5710 1 773 . 1 1 78 78 ASP HB3 H 1 2.686 0.01 . 2 . . . . . . . . 5710 1 774 . 1 1 78 78 ASP HB2 H 1 2.974 0.01 . 2 . . . . . . . . 5710 1 775 . 1 1 79 79 GLY N N 15 118.481 0.35 . 1 . . . . . . . . 5710 1 776 . 1 1 79 79 GLY H H 1 9.370 0.01 . 1 . . . . . . . . 5710 1 777 . 1 1 79 79 GLY CA C 13 48.521 0.52 . 1 . . . . . . . . 5710 1 778 . 1 1 79 79 GLY HA3 H 1 3.795 0.01 . 2 . . . . . . . . 5710 1 779 . 1 1 79 79 GLY HA2 H 1 3.775 0.01 . 2 . . . . . . . . 5710 1 780 . 1 1 80 80 ARG N N 15 119.153 0.35 . 1 . . . . . . . . 5710 1 781 . 1 1 80 80 ARG H H 1 8.712 0.01 . 1 . . . . . . . . 5710 1 782 . 1 1 80 80 ARG CA C 13 59.569 0.52 . 1 . . . . . . . . 5710 1 783 . 1 1 80 80 ARG HA H 1 3.960 0.01 . 1 . . . . . . . . 5710 1 784 . 1 1 80 80 ARG CB C 13 30.029 0.52 . 1 . . . . . . . . 5710 1 785 . 1 1 80 80 ARG HB2 H 1 1.856 0.01 . 2 . . . . . . . . 5710 1 786 . 1 1 80 80 ARG CG C 13 27.286 0.52 . 1 . . . . . . . . 5710 1 787 . 1 1 80 80 ARG HG2 H 1 1.702 0.01 . 2 . . . . . . . . 5710 1 788 . 1 1 80 80 ARG CD C 13 43.299 0.52 . 1 . . . . . . . . 5710 1 789 . 1 1 80 80 ARG HD3 H 1 3.184 0.01 . 2 . . . . . . . . 5710 1 790 . 1 1 80 80 ARG HD2 H 1 3.306 0.01 . 2 . . . . . . . . 5710 1 791 . 1 1 81 81 ALA N N 15 120.655 0.35 . 1 . . . . . . . . 5710 1 792 . 1 1 81 81 ALA H H 1 8.146 0.01 . 1 . . . . . . . . 5710 1 793 . 1 1 81 81 ALA CA C 13 53.685 0.52 . 1 . . . . . . . . 5710 1 794 . 1 1 81 81 ALA HA H 1 4.355 0.01 . 1 . . . . . . . . 5710 1 795 . 1 1 81 81 ALA CB C 13 18.652 0.52 . 1 . . . . . . . . 5710 1 796 . 1 1 81 81 ALA HB1 H 1 1.633 0.01 . 1 . . . . . . . . 5710 1 797 . 1 1 81 81 ALA HB2 H 1 1.633 0.01 . 1 . . . . . . . . 5710 1 798 . 1 1 81 81 ALA HB3 H 1 1.633 0.01 . 1 . . . . . . . . 5710 1 799 . 1 1 82 82 LEU N N 15 115.208 0.35 . 1 . . . . . . . . 5710 1 800 . 1 1 82 82 LEU H H 1 7.743 0.01 . 1 . . . . . . . . 5710 1 801 . 1 1 82 82 LEU CA C 13 54.145 0.52 . 1 . . . . . . . . 5710 1 802 . 1 1 82 82 LEU HA H 1 4.355 0.01 . 1 . . . . . . . . 5710 1 803 . 1 1 82 82 LEU CB C 13 42.956 0.52 . 1 . . . . . . . . 5710 1 804 . 1 1 82 82 LEU HB3 H 1 1.451 0.01 . 2 . . . . . . . . 5710 1 805 . 1 1 82 82 LEU HB2 H 1 2.037 0.01 . 2 . . . . . . . . 5710 1 806 . 1 1 82 82 LEU CG C 13 27.139 0.52 . 1 . . . . . . . . 5710 1 807 . 1 1 82 82 LEU HG H 1 1.542 0.01 . 1 . . . . . . . . 5710 1 808 . 1 1 82 82 LEU CD1 C 13 23.907 0.52 . 1 . . . . . . . . 5710 1 809 . 1 1 82 82 LEU HD11 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 810 . 1 1 82 82 LEU HD12 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 811 . 1 1 82 82 LEU HD13 H 1 0.820 0.01 . 2 . . . . . . . . 5710 1 812 . 1 1 82 82 LEU CD2 C 13 24.642 0.52 . 1 . . . . . . . . 5710 1 813 . 1 1 82 82 LEU HD21 H 1 0.853 0.01 . 2 . . . . . . . . 5710 1 814 . 1 1 82 82 LEU HD22 H 1 0.853 0.01 . 2 . . . . . . . . 5710 1 815 . 1 1 82 82 LEU HD23 H 1 0.853 0.01 . 2 . . . . . . . . 5710 1 816 . 1 1 83 83 VAL N N 15 122.952 0.35 . 1 . . . . . . . . 5710 1 817 . 1 1 83 83 VAL H H 1 7.271 0.01 . 1 . . . . . . . . 5710 1 818 . 1 1 83 83 VAL CA C 13 63.797 0.52 . 1 . . . . . . . . 5710 1 819 . 1 1 83 83 VAL HA H 1 4.082 0.01 . 1 . . . . . . . . 5710 1 820 . 1 1 83 83 VAL CB C 13 32.149 0.52 . 1 . . . . . . . . 5710 1 821 . 1 1 83 83 VAL HB H 1 2.167 0.01 . 1 . . . . . . . . 5710 1 822 . 1 1 83 83 VAL CG2 C 13 21.116 0.52 . 1 . . . . . . . . 5710 1 823 . 1 1 83 83 VAL HG21 H 1 1.007 0.01 . 2 . . . . . . . . 5710 1 824 . 1 1 83 83 VAL HG22 H 1 1.007 0.01 . 2 . . . . . . . . 5710 1 825 . 1 1 83 83 VAL HG23 H 1 1.007 0.01 . 2 . . . . . . . . 5710 1 826 . 1 1 83 83 VAL CG1 C 13 22.291 0.52 . 1 . . . . . . . . 5710 1 827 . 1 1 83 83 VAL HG11 H 1 1.135 0.01 . 2 . . . . . . . . 5710 1 828 . 1 1 83 83 VAL HG12 H 1 1.135 0.01 . 2 . . . . . . . . 5710 1 829 . 1 1 83 83 VAL HG13 H 1 1.135 0.01 . 2 . . . . . . . . 5710 1 830 . 1 1 84 84 ALA N N 15 128.055 0.35 . 1 . . . . . . . . 5710 1 831 . 1 1 84 84 ALA H H 1 8.100 0.01 . 1 . . . . . . . . 5710 1 832 . 1 1 84 84 ALA CA C 13 52.393 0.52 . 1 . . . . . . . . 5710 1 833 . 1 1 84 84 ALA HA H 1 4.264 0.01 . 1 . . . . . . . . 5710 1 834 . 1 1 84 84 ALA CB C 13 18.907 0.52 . 1 . . . . . . . . 5710 1 835 . 1 1 84 84 ALA HB1 H 1 1.372 0.01 . 1 . . . . . . . . 5710 1 836 . 1 1 84 84 ALA HB2 H 1 1.372 0.01 . 1 . . . . . . . . 5710 1 837 . 1 1 84 84 ALA HB3 H 1 1.372 0.01 . 1 . . . . . . . . 5710 1 838 . 1 1 85 85 ARG N N 15 121.307 0.35 . 1 . . . . . . . . 5710 1 839 . 1 1 85 85 ARG H H 1 8.065 0.01 . 1 . . . . . . . . 5710 1 840 . 1 1 85 85 ARG CA C 13 55.030 0.52 . 1 . . . . . . . . 5710 1 841 . 1 1 85 85 ARG HA H 1 4.362 0.01 . 1 . . . . . . . . 5710 1 842 . 1 1 85 85 ARG CB C 13 29.632 0.52 . 1 . . . . . . . . 5710 1 843 . 1 1 85 85 ARG HB2 H 1 1.550 0.01 . 2 . . . . . . . . 5710 1 844 . 1 1 85 85 ARG CG C 13 27.286 0.52 . 1 . . . . . . . . 5710 1 845 . 1 1 85 85 ARG HG2 H 1 1.397 0.01 . 2 . . . . . . . . 5710 1 846 . 1 1 85 85 ARG CD C 13 43.446 0.52 . 1 . . . . . . . . 5710 1 847 . 1 1 85 85 ARG HD3 H 1 3.057 0.01 . 2 . . . . . . . . 5710 1 848 . 1 1 85 85 ARG HD2 H 1 3.146 0.01 . 2 . . . . . . . . 5710 1 849 . 1 1 86 86 PRO CA C 13 64.229 0.52 . 1 . . . . . . . . 5710 1 850 . 1 1 86 86 PRO HA H 1 4.260 0.01 . 1 . . . . . . . . 5710 1 851 . 1 1 86 86 PRO CB C 13 32.027 0.52 . 1 . . . . . . . . 5710 1 852 . 1 1 86 86 PRO HB3 H 1 1.935 0.01 . 2 . . . . . . . . 5710 1 853 . 1 1 86 86 PRO HB2 H 1 2.271 0.01 . 2 . . . . . . . . 5710 1 854 . 1 1 86 86 PRO CG C 13 27.727 0.52 . 1 . . . . . . . . 5710 1 855 . 1 1 86 86 PRO HG2 H 1 2.057 0.01 . 2 . . . . . . . . 5710 1 856 . 1 1 86 86 PRO CD C 13 50.497 0.52 . 1 . . . . . . . . 5710 1 857 . 1 1 86 86 PRO HD2 H 1 3.704 0.01 . 2 . . . . . . . . 5710 1 858 . 1 1 87 87 GLU N N 15 120.257 0.35 . 1 . . . . . . . . 5710 1 859 . 1 1 87 87 GLU H H 1 8.838 0.01 . 1 . . . . . . . . 5710 1 860 . 1 1 87 87 GLU CA C 13 57.634 0.52 . 1 . . . . . . . . 5710 1 861 . 1 1 87 87 GLU HA H 1 4.090 0.01 . 1 . . . . . . . . 5710 1 862 . 1 1 87 87 GLU CB C 13 29.724 0.52 . 1 . . . . . . . . 5710 1 863 . 1 1 87 87 GLU HB3 H 1 1.934 0.01 . 2 . . . . . . . . 5710 1 864 . 1 1 87 87 GLU HB2 H 1 1.998 0.01 . 2 . . . . . . . . 5710 1 865 . 1 1 87 87 GLU CG C 13 36.688 0.52 . 1 . . . . . . . . 5710 1 866 . 1 1 87 87 GLU HG2 H 1 2.253 0.01 . 2 . . . . . . . . 5710 1 867 . 1 1 88 88 GLU N N 15 121.454 0.35 . 1 . . . . . . . . 5710 1 868 . 1 1 88 88 GLU H H 1 8.169 0.01 . 1 . . . . . . . . 5710 1 869 . 1 1 88 88 GLU CA C 13 56.950 0.52 . 1 . . . . . . . . 5710 1 870 . 1 1 88 88 GLU HA H 1 4.210 0.01 . 1 . . . . . . . . 5710 1 871 . 1 1 88 88 GLU CB C 13 30.538 0.52 . 1 . . . . . . . . 5710 1 872 . 1 1 88 88 GLU HB2 H 1 2.012 0.01 . 2 . . . . . . . . 5710 1 873 . 1 1 88 88 GLU CG C 13 36.688 0.52 . 1 . . . . . . . . 5710 1 874 . 1 1 88 88 GLU HG2 H 1 2.221 0.01 . 2 . . . . . . . . 5710 1 875 . 1 1 89 89 ARG CA C 13 56.950 0.52 . 1 . . . . . . . . 5710 1 876 . 1 1 89 89 ARG CB C 13 30.805 0.52 . 1 . . . . . . . . 5710 1 877 . 1 1 90 90 ILE N N 15 120.504 0.35 . 1 . . . . . . . . 5710 1 878 . 1 1 90 90 ILE H H 1 7.907 0.01 . 1 . . . . . . . . 5710 1 879 . 1 1 90 90 ILE CA C 13 61.419 0.52 . 1 . . . . . . . . 5710 1 880 . 1 1 90 90 ILE HA H 1 3.996 0.01 . 1 . . . . . . . . 5710 1 881 . 1 1 90 90 ILE CB C 13 38.482 0.52 . 1 . . . . . . . . 5710 1 882 . 1 1 90 90 ILE HB H 1 1.792 0.01 . 1 . . . . . . . . 5710 1 883 . 1 1 90 90 ILE CG1 C 13 27.874 0.52 . 2 . . . . . . . . 5710 1 884 . 1 1 90 90 ILE HG13 H 1 0.971 0.01 . 1 . . . . . . . . 5710 1 885 . 1 1 90 90 ILE HG12 H 1 1.440 0.01 . 1 . . . . . . . . 5710 1 886 . 1 1 90 90 ILE CD1 C 13 13.330 0.52 . 1 . . . . . . . . 5710 1 887 . 1 1 90 90 ILE HD11 H 1 0.763 0.01 . 1 . . . . . . . . 5710 1 888 . 1 1 90 90 ILE HD12 H 1 0.763 0.01 . 1 . . . . . . . . 5710 1 889 . 1 1 90 90 ILE HD13 H 1 0.763 0.01 . 1 . . . . . . . . 5710 1 890 . 1 1 90 90 ILE CG2 C 13 17.443 0.52 . 1 . . . . . . . . 5710 1 891 . 1 1 90 90 ILE HG21 H 1 0.816 0.01 . 1 . . . . . . . . 5710 1 892 . 1 1 90 90 ILE HG22 H 1 0.816 0.01 . 1 . . . . . . . . 5710 1 893 . 1 1 90 90 ILE HG23 H 1 0.816 0.01 . 1 . . . . . . . . 5710 1 894 . 1 1 91 91 LYS N N 15 125.299 0.35 . 1 . . . . . . . . 5710 1 895 . 1 1 91 91 LYS H H 1 8.168 0.01 . 1 . . . . . . . . 5710 1 896 . 1 1 91 91 LYS CA C 13 56.321 0.52 . 1 . . . . . . . . 5710 1 897 . 1 1 91 91 LYS HA H 1 4.270 0.01 . 1 . . . . . . . . 5710 1 898 . 1 1 91 91 LYS CB C 13 33.125 0.52 . 1 . . . . . . . . 5710 1 899 . 1 1 91 91 LYS HB3 H 1 1.705 0.01 . 2 . . . . . . . . 5710 1 900 . 1 1 91 91 LYS HB2 H 1 1.806 0.01 . 2 . . . . . . . . 5710 1 901 . 1 1 91 91 LYS CG C 13 24.935 0.52 . 1 . . . . . . . . 5710 1 902 . 1 1 91 91 LYS HG3 H 1 1.375 0.01 . 2 . . . . . . . . 5710 1 903 . 1 1 91 91 LYS HG2 H 1 1.429 0.01 . 2 . . . . . . . . 5710 1 904 . 1 1 91 91 LYS CD C 13 29.636 0.52 . 1 . . . . . . . . 5710 1 905 . 1 1 91 91 LYS HD2 H 1 1.640 0.01 . 2 . . . . . . . . 5710 1 906 . 1 1 91 91 LYS CE C 13 41.977 0.52 . 1 . . . . . . . . 5710 1 907 . 1 1 91 91 LYS HE2 H 1 2.948 0.01 . 2 . . . . . . . . 5710 1 908 . 1 1 92 92 LYS N N 15 123.050 0.35 . 1 . . . . . . . . 5710 1 909 . 1 1 92 92 LYS H H 1 8.245 0.01 . 1 . . . . . . . . 5710 1 910 . 1 1 92 92 LYS CA C 13 56.186 0.52 . 1 . . . . . . . . 5710 1 911 . 1 1 92 92 LYS HA H 1 4.242 0.01 . 1 . . . . . . . . 5710 1 912 . 1 1 92 92 LYS CB C 13 33.223 0.52 . 1 . . . . . . . . 5710 1 913 . 1 1 92 92 LYS HB2 H 1 1.667 0.01 . 2 . . . . . . . . 5710 1 914 . 1 1 93 93 LYS N N 15 123.365 0.35 . 1 . . . . . . . . 5710 1 915 . 1 1 93 93 LYS H H 1 8.221 0.01 . 1 . . . . . . . . 5710 1 916 . 1 1 93 93 LYS CA C 13 56.186 0.52 . 1 . . . . . . . . 5710 1 917 . 1 1 93 93 LYS HA H 1 4.218 0.01 . 1 . . . . . . . . 5710 1 918 . 1 1 93 93 LYS CB C 13 33.223 0.52 . 1 . . . . . . . . 5710 1 919 . 1 1 93 93 LYS HB2 H 1 1.649 0.01 . 2 . . . . . . . . 5710 1 920 . 1 1 93 93 LYS CG C 13 24.935 0.52 . 1 . . . . . . . . 5710 1 921 . 1 1 93 93 LYS HG2 H 1 1.308 0.01 . 2 . . . . . . . . 5710 1 922 . 1 1 93 93 LYS CD C 13 29.343 0.52 . 1 . . . . . . . . 5710 1 923 . 1 1 93 93 LYS HD2 H 1 1.621 0.01 . 2 . . . . . . . . 5710 1 924 . 1 1 93 93 LYS CE C 13 41.977 0.52 . 1 . . . . . . . . 5710 1 925 . 1 1 93 93 LYS HE2 H 1 2.926 0.01 . 2 . . . . . . . . 5710 1 926 . 1 1 94 94 PHE N N 15 122.375 0.35 . 1 . . . . . . . . 5710 1 927 . 1 1 94 94 PHE H H 1 8.277 0.01 . 1 . . . . . . . . 5710 1 928 . 1 1 94 94 PHE CA C 13 57.632 0.52 . 1 . . . . . . . . 5710 1 929 . 1 1 94 94 PHE HA H 1 4.583 0.01 . 1 . . . . . . . . 5710 1 930 . 1 1 94 94 PHE CB C 13 39.841 0.52 . 1 . . . . . . . . 5710 1 931 . 1 1 94 94 PHE HB3 H 1 2.973 0.01 . 2 . . . . . . . . 5710 1 932 . 1 1 94 94 PHE HB2 H 1 3.091 0.01 . 2 . . . . . . . . 5710 1 933 . 1 1 94 94 PHE HD1 H 1 7.227 0.01 . 1 . . . . . . . . 5710 1 934 . 1 1 94 94 PHE HD2 H 1 7.227 0.01 . 1 . . . . . . . . 5710 1 935 . 1 1 95 95 ARG N N 15 124.497 0.35 . 1 . . . . . . . . 5710 1 936 . 1 1 95 95 ARG H H 1 8.107 0.01 . 1 . . . . . . . . 5710 1 937 . 1 1 95 95 ARG CA C 13 55.591 0.52 . 1 . . . . . . . . 5710 1 938 . 1 1 95 95 ARG HA H 1 4.312 0.01 . 1 . . . . . . . . 5710 1 939 . 1 1 95 95 ARG CB C 13 31.305 0.52 . 1 . . . . . . . . 5710 1 940 . 1 1 95 95 ARG HB2 H 1 1.939 0.01 . 2 . . . . . . . . 5710 1 941 . 1 1 95 95 ARG HG2 H 1 2.093 0.01 . 2 . . . . . . . . 5710 1 942 . 1 1 96 96 LYS N N 15 126.114 0.35 . 1 . . . . . . . . 5710 1 943 . 1 1 96 96 LYS H H 1 8.308 0.01 . 1 . . . . . . . . 5710 1 944 . 1 1 96 96 LYS CA C 13 54.274 0.52 . 1 . . . . . . . . 5710 1 945 . 1 1 96 96 LYS HA H 1 4.492 0.01 . 1 . . . . . . . . 5710 1 946 . 1 1 96 96 LYS CB C 13 32.510 0.52 . 1 . . . . . . . . 5710 1 947 . 1 1 96 96 LYS HB3 H 1 1.718 0.01 . 2 . . . . . . . . 5710 1 948 . 1 1 96 96 LYS HB2 H 1 1.856 0.01 . 2 . . . . . . . . 5710 1 949 . 1 1 96 96 LYS CG C 13 24.495 0.52 . 1 . . . . . . . . 5710 1 950 . 1 1 96 96 LYS HG3 H 1 1.720 0.01 . 2 . . . . . . . . 5710 1 951 . 1 1 96 96 LYS HG2 H 1 1.525 0.01 . 2 . . . . . . . . 5710 1 952 . 1 1 96 96 LYS CD C 13 29.343 0.52 . 1 . . . . . . . . 5710 1 953 . 1 1 96 96 LYS HD2 H 1 1.708 0.01 . 2 . . . . . . . . 5710 1 954 . 1 1 96 96 LYS CE C 13 41.977 0.52 . 1 . . . . . . . . 5710 1 955 . 1 1 96 96 LYS HE2 H 1 3.005 0.01 . 2 . . . . . . . . 5710 1 stop_ save_