data_5704 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5704 _Entry.Title ; 1H, 13C, and 15N assignment of mth677 protein from Methanobacterium Thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-17 _Entry.Accession_date 2003-02-18 _Entry.Last_release_date 2003-06-09 _Entry.Original_release_date 2003-06-09 _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 ; Assignment of the hypothetical protein mth677, part of an archaeal conserved region and a target within the pilot project on structural genomics. ; _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 Francisco Blanco . J . 5704 2 Ramon Campos-Olivas . . . 5704 3 Adelinda Yee . . . 5704 4 Cheryl Arrowsmith . H . 5704 5 Manuel Rico . . . 5704 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5704 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 5704 '15N chemical shifts' 93 5704 '1H chemical shifts' 617 5704 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 . . 2003-06-09 2003-02-17 original author . 5704 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 5704 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignment of the hypothetical protein mth677from Mthanobacterium thermoautotrophicum ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Francisco Blanco . J . 5704 1 2 Ramon Campos-Olivas . . . 5704 1 3 Adelinda Yee . . . 5704 1 4 Cheryl Arrowsmith . H . 5704 1 5 Manuel Rico . . . 5704 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 5704 _Assembly.ID 1 _Assembly.Name mth677 _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 5704 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 mth677 1 $mth677 . . . native . . . . . 5704 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID mth677 abbreviation 5704 1 mth677 system 5704 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mth677 _Entity.Sf_category entity _Entity.Sf_framecode mth677 _Entity.Entry_ID 5704 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mth677 _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 ; GSHMSLRKLTEGDLDEISSF LHNTISDFILKRVSAKEIVD IDITVLVEYTDELKVDISAE LYLDELSDADPGIVDEAVDA AYRSLESFLDGFRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1PU1 . "Solution Structure Of The Hypothetical Protein Mth677 From Methanothermobacter Thermautotrophicus" . . . . . 100.00 94 100.00 100.00 8.09e-57 . . . . 5704 1 2 no DBJ BAM69854 . "conserved hypothetical protein [Methanothermobacter thermautotrophicus CaT2]" . . . . . 96.81 91 100.00 100.00 4.94e-54 . . . . 5704 1 3 no GB AAB85182 . "unknown [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 96.81 91 100.00 100.00 4.94e-54 . . . . 5704 1 4 no REF NP_275819 . "hypothetical protein MTH677 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 96.81 91 100.00 100.00 4.94e-54 . . . . 5704 1 5 no REF WP_010876315 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 96.81 91 100.00 100.00 4.94e-54 . . . . 5704 1 6 no SP O26773 . "RecName: Full=Uncharacterized protein MTH_677 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 96.81 91 100.00 100.00 4.94e-54 . . . . 5704 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID mth677 abbreviation 5704 1 mth677 common 5704 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 -2 GLY . 5704 1 2 -1 SER . 5704 1 3 0 HIS . 5704 1 4 1 MET . 5704 1 5 2 SER . 5704 1 6 3 LEU . 5704 1 7 4 ARG . 5704 1 8 5 LYS . 5704 1 9 6 LEU . 5704 1 10 7 THR . 5704 1 11 8 GLU . 5704 1 12 9 GLY . 5704 1 13 10 ASP . 5704 1 14 11 LEU . 5704 1 15 12 ASP . 5704 1 16 13 GLU . 5704 1 17 14 ILE . 5704 1 18 15 SER . 5704 1 19 16 SER . 5704 1 20 17 PHE . 5704 1 21 18 LEU . 5704 1 22 19 HIS . 5704 1 23 20 ASN . 5704 1 24 21 THR . 5704 1 25 22 ILE . 5704 1 26 23 SER . 5704 1 27 24 ASP . 5704 1 28 25 PHE . 5704 1 29 26 ILE . 5704 1 30 27 LEU . 5704 1 31 28 LYS . 5704 1 32 29 ARG . 5704 1 33 30 VAL . 5704 1 34 31 SER . 5704 1 35 32 ALA . 5704 1 36 33 LYS . 5704 1 37 34 GLU . 5704 1 38 35 ILE . 5704 1 39 36 VAL . 5704 1 40 37 ASP . 5704 1 41 38 ILE . 5704 1 42 39 ASP . 5704 1 43 40 ILE . 5704 1 44 41 THR . 5704 1 45 42 VAL . 5704 1 46 43 LEU . 5704 1 47 44 VAL . 5704 1 48 45 GLU . 5704 1 49 46 TYR . 5704 1 50 47 THR . 5704 1 51 48 ASP . 5704 1 52 49 GLU . 5704 1 53 50 LEU . 5704 1 54 51 LYS . 5704 1 55 52 VAL . 5704 1 56 53 ASP . 5704 1 57 54 ILE . 5704 1 58 55 SER . 5704 1 59 56 ALA . 5704 1 60 57 GLU . 5704 1 61 58 LEU . 5704 1 62 59 TYR . 5704 1 63 60 LEU . 5704 1 64 61 ASP . 5704 1 65 62 GLU . 5704 1 66 63 LEU . 5704 1 67 64 SER . 5704 1 68 65 ASP . 5704 1 69 66 ALA . 5704 1 70 67 ASP . 5704 1 71 68 PRO . 5704 1 72 69 GLY . 5704 1 73 70 ILE . 5704 1 74 71 VAL . 5704 1 75 72 ASP . 5704 1 76 73 GLU . 5704 1 77 74 ALA . 5704 1 78 75 VAL . 5704 1 79 76 ASP . 5704 1 80 77 ALA . 5704 1 81 78 ALA . 5704 1 82 79 TYR . 5704 1 83 80 ARG . 5704 1 84 81 SER . 5704 1 85 82 LEU . 5704 1 86 83 GLU . 5704 1 87 84 SER . 5704 1 88 85 PHE . 5704 1 89 86 LEU . 5704 1 90 87 ASP . 5704 1 91 88 GLY . 5704 1 92 89 PHE . 5704 1 93 90 ARG . 5704 1 94 91 GLU . 5704 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 5704 1 . SER 2 2 5704 1 . HIS 3 3 5704 1 . MET 4 4 5704 1 . SER 5 5 5704 1 . LEU 6 6 5704 1 . ARG 7 7 5704 1 . LYS 8 8 5704 1 . LEU 9 9 5704 1 . THR 10 10 5704 1 . GLU 11 11 5704 1 . GLY 12 12 5704 1 . ASP 13 13 5704 1 . LEU 14 14 5704 1 . ASP 15 15 5704 1 . GLU 16 16 5704 1 . ILE 17 17 5704 1 . SER 18 18 5704 1 . SER 19 19 5704 1 . PHE 20 20 5704 1 . LEU 21 21 5704 1 . HIS 22 22 5704 1 . ASN 23 23 5704 1 . THR 24 24 5704 1 . ILE 25 25 5704 1 . SER 26 26 5704 1 . ASP 27 27 5704 1 . PHE 28 28 5704 1 . ILE 29 29 5704 1 . LEU 30 30 5704 1 . LYS 31 31 5704 1 . ARG 32 32 5704 1 . VAL 33 33 5704 1 . SER 34 34 5704 1 . ALA 35 35 5704 1 . LYS 36 36 5704 1 . GLU 37 37 5704 1 . ILE 38 38 5704 1 . VAL 39 39 5704 1 . ASP 40 40 5704 1 . ILE 41 41 5704 1 . ASP 42 42 5704 1 . ILE 43 43 5704 1 . THR 44 44 5704 1 . VAL 45 45 5704 1 . LEU 46 46 5704 1 . VAL 47 47 5704 1 . GLU 48 48 5704 1 . TYR 49 49 5704 1 . THR 50 50 5704 1 . ASP 51 51 5704 1 . GLU 52 52 5704 1 . LEU 53 53 5704 1 . LYS 54 54 5704 1 . VAL 55 55 5704 1 . ASP 56 56 5704 1 . ILE 57 57 5704 1 . SER 58 58 5704 1 . ALA 59 59 5704 1 . GLU 60 60 5704 1 . LEU 61 61 5704 1 . TYR 62 62 5704 1 . LEU 63 63 5704 1 . ASP 64 64 5704 1 . GLU 65 65 5704 1 . LEU 66 66 5704 1 . SER 67 67 5704 1 . ASP 68 68 5704 1 . ALA 69 69 5704 1 . ASP 70 70 5704 1 . PRO 71 71 5704 1 . GLY 72 72 5704 1 . ILE 73 73 5704 1 . VAL 74 74 5704 1 . ASP 75 75 5704 1 . GLU 76 76 5704 1 . ALA 77 77 5704 1 . VAL 78 78 5704 1 . ASP 79 79 5704 1 . ALA 80 80 5704 1 . ALA 81 81 5704 1 . TYR 82 82 5704 1 . ARG 83 83 5704 1 . SER 84 84 5704 1 . LEU 85 85 5704 1 . GLU 86 86 5704 1 . SER 87 87 5704 1 . PHE 88 88 5704 1 . LEU 89 89 5704 1 . ASP 90 90 5704 1 . GLY 91 91 5704 1 . PHE 92 92 5704 1 . ARG 93 93 5704 1 . GLU 94 94 5704 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 5704 _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 $mth677 . 187420 . . 'Methanothermobacter thermoautotrophicus' 'Methanobacterium thermoautotrophicum' . . Archaea Euryarchaeota Methanothermobacter thermoautotrophicus . . . . . . . . . . . . . . . . . . . . . 5704 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 5704 _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 $mth677 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 5704 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5704 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N enrichment, and with protease inhibitor mixture.' _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 mth677 [U-15N] . . 1 $mth677 . . 1.2 . . mM . . . . 5704 1 2 'Sodium phosphate' . . . . . . . 25 . . mM . . . . 5704 1 3 'Sodim chloride' . . . . . . . 450 . . mM . . . . 5704 1 4 DTT . . . . . . . 10 . . mM . . . . 5704 1 5 benzamidine . . . . . . . 1 . . mM . . . . 5704 1 6 H2O . . . . . . . 90 . . '% v/v' . . . . 5704 1 7 D2O . . . . . . . 10 . . '% v/v' . . . . 5704 1 8 'Zinc chloride' . . . . . . . 20 . . uM . . . . 5704 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5704 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N and 13C enrichment, and with protease inhibitor mixture.' _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 mth677 '[U-15N; U-13C]' . . 1 $mth677 . . 1 . . mM . . . . 5704 2 2 'Sodium phosphate' . . . . . . . 25 . . mM . . . . 5704 2 3 'Sodim chloride' . . . . . . . 450 . . mM . . . . 5704 2 4 DTT . . . . . . . 10 . . mM . . . . 5704 2 5 benzamidine . . . . . . . 1 . . mM . . . . 5704 2 6 H2O . . . . . . . 90 . . '% v/v' . . . . 5704 2 7 D2O . . . . . . . 10 . . '% v/v' . . . . 5704 2 8 'Zinc chloride' . . . . . . . 20 . . uM . . . . 5704 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5704 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N and 13C enrichment, and with protease inhibitor mixture.' _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 mth677 '[U-15N; U-13C]' . . 1 $mth677 . . 1 . . mM . . . . 5704 3 2 'Sodium phosphate' . . . . . . . 25 . . mM . . . . 5704 3 3 'Sodim chloride' . . . . . . . 450 . . mM . . . . 5704 3 4 DTT . . . . . . . 10 . . mM . . . . 5704 3 5 benzamidine . . . . . . . 1 . . mM . . . . 5704 3 6 D2O . . . . . . . 100 . . '% v/v' . . . . 5704 3 7 'Zinc chloride' . . . . . . . 20 . . uM . . . . 5704 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5704 _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 0.1 n/a 5704 1 temperature 298 0.1 K 5704 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 5704 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . www.bruker.de 5704 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 5704 1 plotting 5704 1 processing 5704 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5704 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://spin.niddk.nih.gov/bax/software/NMRPipe/ 5704 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5704 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 5704 _Software.ID 3 _Software.Name NMRDraw _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://spin.niddk.nih.gov/bax/software/NMRPipe/ 5704 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing and analysis' 5704 3 'spectral visualization' 5704 3 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 5704 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . www.nmrview.com 5704 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra analysis' 5704 4 'spectra visualization' 5704 4 stop_ save_ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 5704 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . www.guentert.com 5704 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 5704 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5704 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 5704 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 5704 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 5704 _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 5704 _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 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 5704 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 5704 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 5704 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5704 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5704 1 . . 2 $sample_2 . 5704 1 . . 3 $sample_3 . 5704 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 46.258 0.1 . 1 . . . . . . . . 5704 1 2 . 1 1 1 1 GLY HA2 H 1 3.770 0.04 . 2 . . . . . . . . 5704 1 3 . 1 1 2 2 SER CA C 13 57.567 0.1 . 1 . . . . . . . . 5704 1 4 . 1 1 2 2 SER HA H 1 4.230 0.04 . 1 . . . . . . . . 5704 1 5 . 1 1 2 2 SER CB C 13 63.605 0.1 . 1 . . . . . . . . 5704 1 6 . 1 1 2 2 SER HB3 H 1 3.976 0.04 . 2 . . . . . . . . 5704 1 7 . 1 1 2 2 SER HB2 H 1 4.063 0.04 . 2 . . . . . . . . 5704 1 8 . 1 1 3 3 HIS CA C 13 55.787 0.1 . 1 . . . . . . . . 5704 1 9 . 1 1 3 3 HIS HA H 1 4.567 0.04 . 1 . . . . . . . . 5704 1 10 . 1 1 3 3 HIS CB C 13 30.248 0.1 . 1 . . . . . . . . 5704 1 11 . 1 1 3 3 HIS HB3 H 1 3.204 0.04 . 2 . . . . . . . . 5704 1 12 . 1 1 3 3 HIS HB2 H 1 3.262 0.04 . 2 . . . . . . . . 5704 1 13 . 1 1 3 3 HIS CD2 C 13 119.997 0.1 . 1 . . . . . . . . 5704 1 14 . 1 1 3 3 HIS HD2 H 1 7.211 0.04 . 1 . . . . . . . . 5704 1 15 . 1 1 3 3 HIS CE1 C 13 137.381 0.1 . 1 . . . . . . . . 5704 1 16 . 1 1 3 3 HIS HE1 H 1 8.297 0.04 . 1 . . . . . . . . 5704 1 17 . 1 1 3 3 HIS C C 13 172.181 0.1 . 1 . . . . . . . . 5704 1 18 . 1 1 4 4 MET N N 15 120.419 0.05 . 1 . . . . . . . . 5704 1 19 . 1 1 4 4 MET H H 1 8.487 0.04 . 1 . . . . . . . . 5704 1 20 . 1 1 4 4 MET CA C 13 55.752 0.1 . 1 . . . . . . . . 5704 1 21 . 1 1 4 4 MET HA H 1 4.569 0.04 . 1 . . . . . . . . 5704 1 22 . 1 1 4 4 MET CB C 13 33.765 0.1 . 1 . . . . . . . . 5704 1 23 . 1 1 4 4 MET HB3 H 1 2.012 0.04 . 2 . . . . . . . . 5704 1 24 . 1 1 4 4 MET HB2 H 1 2.079 0.04 . 2 . . . . . . . . 5704 1 25 . 1 1 4 4 MET CG C 13 32.513 0.1 . 1 . . . . . . . . 5704 1 26 . 1 1 4 4 MET HG3 H 1 2.488 0.04 . 2 . . . . . . . . 5704 1 27 . 1 1 4 4 MET HG2 H 1 2.520 0.04 . 2 . . . . . . . . 5704 1 28 . 1 1 4 4 MET CE C 13 16.907 0.1 . 1 . . . . . . . . 5704 1 29 . 1 1 4 4 MET HE1 H 1 2.141 0.04 . 1 . . . . . . . . 5704 1 30 . 1 1 4 4 MET HE2 H 1 2.141 0.04 . 1 . . . . . . . . 5704 1 31 . 1 1 4 4 MET HE3 H 1 2.141 0.04 . 1 . . . . . . . . 5704 1 32 . 1 1 4 4 MET C C 13 173.225 0.1 . 1 . . . . . . . . 5704 1 33 . 1 1 5 5 SER H H 1 8.555 0.04 . 1 . . . . . . . . 5704 1 34 . 1 1 5 5 SER CA C 13 58.166 0.1 . 1 . . . . . . . . 5704 1 35 . 1 1 5 5 SER HA H 1 4.550 0.04 . 1 . . . . . . . . 5704 1 36 . 1 1 5 5 SER CB C 13 63.726 0.1 . 1 . . . . . . . . 5704 1 37 . 1 1 5 5 SER HB2 H 1 3.940 0.04 . 2 . . . . . . . . 5704 1 38 . 1 1 5 5 SER C C 13 171.354 0.1 . 1 . . . . . . . . 5704 1 39 . 1 1 6 6 LEU N N 15 122.638 0.05 . 1 . . . . . . . . 5704 1 40 . 1 1 6 6 LEU H H 1 8.313 0.04 . 1 . . . . . . . . 5704 1 41 . 1 1 6 6 LEU CA C 13 55.362 0.1 . 1 . . . . . . . . 5704 1 42 . 1 1 6 6 LEU HA H 1 4.588 0.04 . 1 . . . . . . . . 5704 1 43 . 1 1 6 6 LEU CB C 13 43.294 0.1 . 1 . . . . . . . . 5704 1 44 . 1 1 6 6 LEU HB2 H 1 1.736 0.04 . 2 . . . . . . . . 5704 1 45 . 1 1 6 6 LEU CG C 13 27.220 0.1 . 1 . . . . . . . . 5704 1 46 . 1 1 6 6 LEU HG H 1 1.858 0.04 . 1 . . . . . . . . 5704 1 47 . 1 1 6 6 LEU CD1 C 13 26.597 0.1 . 2 . . . . . . . . 5704 1 48 . 1 1 6 6 LEU HD11 H 1 1.022 0.04 . 2 . . . . . . . . 5704 1 49 . 1 1 6 6 LEU HD12 H 1 1.022 0.04 . 2 . . . . . . . . 5704 1 50 . 1 1 6 6 LEU HD13 H 1 1.022 0.04 . 2 . . . . . . . . 5704 1 51 . 1 1 6 6 LEU CD2 C 13 24.977 0.1 . 2 . . . . . . . . 5704 1 52 . 1 1 6 6 LEU HD21 H 1 0.916 0.04 . 2 . . . . . . . . 5704 1 53 . 1 1 6 6 LEU HD22 H 1 0.916 0.04 . 2 . . . . . . . . 5704 1 54 . 1 1 6 6 LEU HD23 H 1 0.916 0.04 . 2 . . . . . . . . 5704 1 55 . 1 1 6 6 LEU C C 13 175.336 0.1 . 1 . . . . . . . . 5704 1 56 . 1 1 7 7 ARG N N 15 119.956 0.05 . 1 . . . . . . . . 5704 1 57 . 1 1 7 7 ARG H H 1 8.314 0.04 . 1 . . . . . . . . 5704 1 58 . 1 1 7 7 ARG CA C 13 55.727 0.1 . 1 . . . . . . . . 5704 1 59 . 1 1 7 7 ARG HA H 1 4.367 0.04 . 1 . . . . . . . . 5704 1 60 . 1 1 7 7 ARG CB C 13 30.723 0.1 . 1 . . . . . . . . 5704 1 61 . 1 1 7 7 ARG HB3 H 1 1.699 0.04 . 2 . . . . . . . . 5704 1 62 . 1 1 7 7 ARG HB2 H 1 1.854 0.04 . 2 . . . . . . . . 5704 1 63 . 1 1 7 7 ARG CG C 13 26.568 0.1 . 1 . . . . . . . . 5704 1 64 . 1 1 7 7 ARG HG2 H 1 1.397 0.04 . 2 . . . . . . . . 5704 1 65 . 1 1 7 7 ARG CD C 13 43.919 0.1 . 1 . . . . . . . . 5704 1 66 . 1 1 7 7 ARG HD2 H 1 3.091 0.04 . 2 . . . . . . . . 5704 1 67 . 1 1 7 7 ARG NE N 15 83.941 0.05 . 1 . . . . . . . . 5704 1 68 . 1 1 7 7 ARG HE H 1 7.511 0.04 . 1 . . . . . . . . 5704 1 69 . 1 1 7 7 ARG CZ C 13 156.738 0.1 . 1 . . . . . . . . 5704 1 70 . 1 1 7 7 ARG C C 13 171.359 0.1 . 1 . . . . . . . . 5704 1 71 . 1 1 8 8 LYS N N 15 117.435 0.05 . 1 . . . . . . . . 5704 1 72 . 1 1 8 8 LYS H H 1 8.046 0.04 . 1 . . . . . . . . 5704 1 73 . 1 1 8 8 LYS CA C 13 57.326 0.1 . 1 . . . . . . . . 5704 1 74 . 1 1 8 8 LYS HA H 1 4.023 0.04 . 1 . . . . . . . . 5704 1 75 . 1 1 8 8 LYS CB C 13 31.694 0.1 . 1 . . . . . . . . 5704 1 76 . 1 1 8 8 LYS HB2 H 1 1.767 0.04 . 2 . . . . . . . . 5704 1 77 . 1 1 8 8 LYS CG C 13 24.967 0.1 . 1 . . . . . . . . 5704 1 78 . 1 1 8 8 LYS HG3 H 1 1.440 0.04 . 2 . . . . . . . . 5704 1 79 . 1 1 8 8 LYS HG2 H 1 1.527 0.04 . 2 . . . . . . . . 5704 1 80 . 1 1 8 8 LYS CD C 13 29.237 0.1 . 1 . . . . . . . . 5704 1 81 . 1 1 8 8 LYS HD2 H 1 1.755 0.04 . 2 . . . . . . . . 5704 1 82 . 1 1 8 8 LYS CE C 13 42.227 0.1 . 1 . . . . . . . . 5704 1 83 . 1 1 8 8 LYS HE2 H 1 3.063 0.04 . 2 . . . . . . . . 5704 1 84 . 1 1 8 8 LYS C C 13 174.228 0.1 . 1 . . . . . . . . 5704 1 85 . 1 1 9 9 LEU N N 15 126.045 0.05 . 1 . . . . . . . . 5704 1 86 . 1 1 9 9 LEU H H 1 6.766 0.04 . 1 . . . . . . . . 5704 1 87 . 1 1 9 9 LEU CA C 13 53.911 0.1 . 1 . . . . . . . . 5704 1 88 . 1 1 9 9 LEU HA H 1 4.656 0.04 . 1 . . . . . . . . 5704 1 89 . 1 1 9 9 LEU CB C 13 42.532 0.1 . 1 . . . . . . . . 5704 1 90 . 1 1 9 9 LEU HB3 H 1 0.967 0.04 . 2 . . . . . . . . 5704 1 91 . 1 1 9 9 LEU HB2 H 1 1.044 0.04 . 2 . . . . . . . . 5704 1 92 . 1 1 9 9 LEU CG C 13 26.129 0.1 . 1 . . . . . . . . 5704 1 93 . 1 1 9 9 LEU HG H 1 1.528 0.04 . 1 . . . . . . . . 5704 1 94 . 1 1 9 9 LEU CD1 C 13 23.237 0.1 . 2 . . . . . . . . 5704 1 95 . 1 1 9 9 LEU HD11 H 1 0.522 0.04 . 2 . . . . . . . . 5704 1 96 . 1 1 9 9 LEU HD12 H 1 0.522 0.04 . 2 . . . . . . . . 5704 1 97 . 1 1 9 9 LEU HD13 H 1 0.522 0.04 . 2 . . . . . . . . 5704 1 98 . 1 1 9 9 LEU CD2 C 13 27.156 0.1 . 2 . . . . . . . . 5704 1 99 . 1 1 9 9 LEU HD21 H 1 0.454 0.04 . 2 . . . . . . . . 5704 1 100 . 1 1 9 9 LEU HD22 H 1 0.454 0.04 . 2 . . . . . . . . 5704 1 101 . 1 1 9 9 LEU HD23 H 1 0.454 0.04 . 2 . . . . . . . . 5704 1 102 . 1 1 9 9 LEU C C 13 174.636 0.1 . 1 . . . . . . . . 5704 1 103 . 1 1 10 10 THR N N 15 113.725 0.05 . 1 . . . . . . . . 5704 1 104 . 1 1 10 10 THR H H 1 9.381 0.04 . 1 . . . . . . . . 5704 1 105 . 1 1 10 10 THR CA C 13 60.018 0.1 . 1 . . . . . . . . 5704 1 106 . 1 1 10 10 THR HA H 1 4.564 0.04 . 1 . . . . . . . . 5704 1 107 . 1 1 10 10 THR CB C 13 72.218 0.1 . 1 . . . . . . . . 5704 1 108 . 1 1 10 10 THR HB H 1 4.706 0.04 . 1 . . . . . . . . 5704 1 109 . 1 1 10 10 THR CG2 C 13 21.858 0.1 . 1 . . . . . . . . 5704 1 110 . 1 1 10 10 THR HG21 H 1 1.317 0.04 . 1 . . . . . . . . 5704 1 111 . 1 1 10 10 THR HG22 H 1 1.317 0.04 . 1 . . . . . . . . 5704 1 112 . 1 1 10 10 THR HG23 H 1 1.317 0.04 . 1 . . . . . . . . 5704 1 113 . 1 1 10 10 THR C C 13 172.927 0.1 . 1 . . . . . . . . 5704 1 114 . 1 1 11 11 GLU N N 15 119.047 0.05 . 1 . . . . . . . . 5704 1 115 . 1 1 11 11 GLU H H 1 9.042 0.04 . 1 . . . . . . . . 5704 1 116 . 1 1 11 11 GLU CA C 13 60.576 0.1 . 1 . . . . . . . . 5704 1 117 . 1 1 11 11 GLU HA H 1 3.976 0.04 . 1 . . . . . . . . 5704 1 118 . 1 1 11 11 GLU CB C 13 29.441 0.1 . 1 . . . . . . . . 5704 1 119 . 1 1 11 11 GLU HB2 H 1 2.119 0.04 . 2 . . . . . . . . 5704 1 120 . 1 1 11 11 GLU CG C 13 36.838 0.1 . 1 . . . . . . . . 5704 1 121 . 1 1 11 11 GLU HG3 H 1 2.399 0.04 . 2 . . . . . . . . 5704 1 122 . 1 1 11 11 GLU HG2 H 1 2.433 0.04 . 2 . . . . . . . . 5704 1 123 . 1 1 11 11 GLU C C 13 176.462 0.1 . 1 . . . . . . . . 5704 1 124 . 1 1 12 12 GLY N N 15 106.035 0.05 . 1 . . . . . . . . 5704 1 125 . 1 1 12 12 GLY H H 1 8.446 0.04 . 1 . . . . . . . . 5704 1 126 . 1 1 12 12 GLY CA C 13 47.029 0.1 . 1 . . . . . . . . 5704 1 127 . 1 1 12 12 GLY HA3 H 1 3.933 0.04 . 2 . . . . . . . . 5704 1 128 . 1 1 12 12 GLY HA2 H 1 3.946 0.04 . 2 . . . . . . . . 5704 1 129 . 1 1 12 12 GLY C C 13 174.343 0.1 . 1 . . . . . . . . 5704 1 130 . 1 1 13 13 ASP N N 15 122.462 0.05 . 1 . . . . . . . . 5704 1 131 . 1 1 13 13 ASP H H 1 7.751 0.04 . 1 . . . . . . . . 5704 1 132 . 1 1 13 13 ASP CA C 13 57.650 0.1 . 1 . . . . . . . . 5704 1 133 . 1 1 13 13 ASP HA H 1 4.494 0.04 . 1 . . . . . . . . 5704 1 134 . 1 1 13 13 ASP CB C 13 42.147 0.1 . 1 . . . . . . . . 5704 1 135 . 1 1 13 13 ASP HB3 H 1 2.621 0.04 . 1 . . . . . . . . 5704 1 136 . 1 1 13 13 ASP HB2 H 1 3.030 0.04 . 1 . . . . . . . . 5704 1 137 . 1 1 13 13 ASP C C 13 175.679 0.1 . 1 . . . . . . . . 5704 1 138 . 1 1 14 14 LEU N N 15 117.421 0.05 . 1 . . . . . . . . 5704 1 139 . 1 1 14 14 LEU H H 1 7.997 0.04 . 1 . . . . . . . . 5704 1 140 . 1 1 14 14 LEU CA C 13 58.440 0.1 . 1 . . . . . . . . 5704 1 141 . 1 1 14 14 LEU HA H 1 3.926 0.04 . 1 . . . . . . . . 5704 1 142 . 1 1 14 14 LEU CB C 13 40.100 0.1 . 1 . . . . . . . . 5704 1 143 . 1 1 14 14 LEU HB3 H 1 1.422 0.04 . 1 . . . . . . . . 5704 1 144 . 1 1 14 14 LEU HB2 H 1 2.049 0.04 . 1 . . . . . . . . 5704 1 145 . 1 1 14 14 LEU CG C 13 26.781 0.1 . 1 . . . . . . . . 5704 1 146 . 1 1 14 14 LEU HG H 1 1.790 0.04 . 1 . . . . . . . . 5704 1 147 . 1 1 14 14 LEU CD1 C 13 25.976 0.1 . 2 . . . . . . . . 5704 1 148 . 1 1 14 14 LEU HD11 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 149 . 1 1 14 14 LEU HD12 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 150 . 1 1 14 14 LEU HD13 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 151 . 1 1 14 14 LEU CD2 C 13 23.316 0.1 . 2 . . . . . . . . 5704 1 152 . 1 1 14 14 LEU HD21 H 1 0.562 0.04 . 2 . . . . . . . . 5704 1 153 . 1 1 14 14 LEU HD22 H 1 0.562 0.04 . 2 . . . . . . . . 5704 1 154 . 1 1 14 14 LEU HD23 H 1 0.562 0.04 . 2 . . . . . . . . 5704 1 155 . 1 1 14 14 LEU C C 13 177.138 0.1 . 1 . . . . . . . . 5704 1 156 . 1 1 15 15 ASP N N 15 119.656 0.05 . 1 . . . . . . . . 5704 1 157 . 1 1 15 15 ASP H H 1 8.120 0.04 . 1 . . . . . . . . 5704 1 158 . 1 1 15 15 ASP CA C 13 57.593 0.1 . 1 . . . . . . . . 5704 1 159 . 1 1 15 15 ASP HA H 1 4.501 0.04 . 1 . . . . . . . . 5704 1 160 . 1 1 15 15 ASP CB C 13 40.906 0.1 . 1 . . . . . . . . 5704 1 161 . 1 1 15 15 ASP HB3 H 1 2.811 0.04 . 2 . . . . . . . . 5704 1 162 . 1 1 15 15 ASP HB2 H 1 2.885 0.04 . 2 . . . . . . . . 5704 1 163 . 1 1 15 15 ASP C C 13 176.415 0.1 . 1 . . . . . . . . 5704 1 164 . 1 1 16 16 GLU N N 15 121.166 0.05 . 1 . . . . . . . . 5704 1 165 . 1 1 16 16 GLU H H 1 8.089 0.04 . 1 . . . . . . . . 5704 1 166 . 1 1 16 16 GLU CA C 13 60.090 0.1 . 1 . . . . . . . . 5704 1 167 . 1 1 16 16 GLU HA H 1 4.221 0.04 . 1 . . . . . . . . 5704 1 168 . 1 1 16 16 GLU CB C 13 29.722 0.1 . 1 . . . . . . . . 5704 1 169 . 1 1 16 16 GLU HB3 H 1 2.484 0.04 . 2 . . . . . . . . 5704 1 170 . 1 1 16 16 GLU HB2 H 1 2.534 0.04 . 2 . . . . . . . . 5704 1 171 . 1 1 16 16 GLU CG C 13 36.761 0.1 . 1 . . . . . . . . 5704 1 172 . 1 1 16 16 GLU HG3 H 1 2.639 0.04 . 2 . . . . . . . . 5704 1 173 . 1 1 16 16 GLU HG2 H 1 2.672 0.04 . 2 . . . . . . . . 5704 1 174 . 1 1 16 16 GLU C C 13 177.494 0.1 . 1 . . . . . . . . 5704 1 175 . 1 1 17 17 ILE N N 15 120.395 0.05 . 1 . . . . . . . . 5704 1 176 . 1 1 17 17 ILE H H 1 8.421 0.04 . 1 . . . . . . . . 5704 1 177 . 1 1 17 17 ILE CA C 13 66.169 0.1 . 1 . . . . . . . . 5704 1 178 . 1 1 17 17 ILE HA H 1 3.678 0.04 . 1 . . . . . . . . 5704 1 179 . 1 1 17 17 ILE CB C 13 38.807 0.1 . 1 . . . . . . . . 5704 1 180 . 1 1 17 17 ILE HB H 1 1.913 0.04 . 1 . . . . . . . . 5704 1 181 . 1 1 17 17 ILE CG1 C 13 30.604 0.1 . 1 . . . . . . . . 5704 1 182 . 1 1 17 17 ILE HG12 H 1 1.875 0.04 . 2 . . . . . . . . 5704 1 183 . 1 1 17 17 ILE CD1 C 13 14.417 0.1 . 1 . . . . . . . . 5704 1 184 . 1 1 17 17 ILE HD11 H 1 0.451 0.04 . 1 . . . . . . . . 5704 1 185 . 1 1 17 17 ILE HD12 H 1 0.451 0.04 . 1 . . . . . . . . 5704 1 186 . 1 1 17 17 ILE HD13 H 1 0.451 0.04 . 1 . . . . . . . . 5704 1 187 . 1 1 17 17 ILE CG2 C 13 17.832 0.1 . 1 . . . . . . . . 5704 1 188 . 1 1 17 17 ILE HG21 H 1 0.841 0.04 . 1 . . . . . . . . 5704 1 189 . 1 1 17 17 ILE HG22 H 1 0.841 0.04 . 1 . . . . . . . . 5704 1 190 . 1 1 17 17 ILE HG23 H 1 0.841 0.04 . 1 . . . . . . . . 5704 1 191 . 1 1 17 17 ILE C C 13 174.693 0.1 . 1 . . . . . . . . 5704 1 192 . 1 1 18 18 SER N N 15 113.338 0.05 . 1 . . . . . . . . 5704 1 193 . 1 1 18 18 SER H H 1 8.506 0.04 . 1 . . . . . . . . 5704 1 194 . 1 1 18 18 SER CA C 13 62.477 0.1 . 1 . . . . . . . . 5704 1 195 . 1 1 18 18 SER HA H 1 4.075 0.04 . 1 . . . . . . . . 5704 1 196 . 1 1 18 18 SER CB C 13 62.962 0.1 . 1 . . . . . . . . 5704 1 197 . 1 1 18 18 SER HB2 H 1 4.207 0.04 . 2 . . . . . . . . 5704 1 198 . 1 1 18 18 SER C C 13 174.715 0.1 . 1 . . . . . . . . 5704 1 199 . 1 1 19 19 SER N N 15 115.786 0.05 . 1 . . . . . . . . 5704 1 200 . 1 1 19 19 SER H H 1 8.523 0.04 . 1 . . . . . . . . 5704 1 201 . 1 1 19 19 SER CA C 13 62.042 0.1 . 1 . . . . . . . . 5704 1 202 . 1 1 19 19 SER HA H 1 4.231 0.04 . 1 . . . . . . . . 5704 1 203 . 1 1 19 19 SER CB C 13 63.106 0.1 . 1 . . . . . . . . 5704 1 204 . 1 1 19 19 SER HB3 H 1 3.973 0.04 . 2 . . . . . . . . 5704 1 205 . 1 1 19 19 SER HB2 H 1 4.048 0.04 . 2 . . . . . . . . 5704 1 206 . 1 1 19 19 SER C C 13 173.555 0.1 . 1 . . . . . . . . 5704 1 207 . 1 1 20 20 PHE N N 15 121.645 0.05 . 1 . . . . . . . . 5704 1 208 . 1 1 20 20 PHE H H 1 8.247 0.04 . 1 . . . . . . . . 5704 1 209 . 1 1 20 20 PHE CA C 13 61.449 0.1 . 1 . . . . . . . . 5704 1 210 . 1 1 20 20 PHE HA H 1 4.152 0.04 . 1 . . . . . . . . 5704 1 211 . 1 1 20 20 PHE CB C 13 39.020 0.1 . 1 . . . . . . . . 5704 1 212 . 1 1 20 20 PHE HB3 H 1 2.707 0.04 . 2 . . . . . . . . 5704 1 213 . 1 1 20 20 PHE HB2 H 1 2.798 0.04 . 2 . . . . . . . . 5704 1 214 . 1 1 20 20 PHE CD1 C 13 131.776 0.1 . 3 . . . . . . . . 5704 1 215 . 1 1 20 20 PHE HD1 H 1 6.673 0.04 . 3 . . . . . . . . 5704 1 216 . 1 1 20 20 PHE CE1 C 13 130.674 0.1 . 3 . . . . . . . . 5704 1 217 . 1 1 20 20 PHE HE1 H 1 6.993 0.04 . 3 . . . . . . . . 5704 1 218 . 1 1 20 20 PHE CZ C 13 133.457 0.1 . 1 . . . . . . . . 5704 1 219 . 1 1 20 20 PHE HZ H 1 7.140 0.04 . 1 . . . . . . . . 5704 1 220 . 1 1 20 20 PHE C C 13 176.619 0.1 . 1 . . . . . . . . 5704 1 221 . 1 1 21 21 LEU N N 15 121.225 0.05 . 1 . . . . . . . . 5704 1 222 . 1 1 21 21 LEU H H 1 8.223 0.04 . 1 . . . . . . . . 5704 1 223 . 1 1 21 21 LEU CA C 13 58.194 0.1 . 1 . . . . . . . . 5704 1 224 . 1 1 21 21 LEU HA H 1 3.572 0.04 . 1 . . . . . . . . 5704 1 225 . 1 1 21 21 LEU CB C 13 42.514 0.1 . 1 . . . . . . . . 5704 1 226 . 1 1 21 21 LEU HB3 H 1 0.970 0.04 . 1 . . . . . . . . 5704 1 227 . 1 1 21 21 LEU HB2 H 1 2.128 0.04 . 1 . . . . . . . . 5704 1 228 . 1 1 21 21 LEU CG C 13 27.100 0.1 . 1 . . . . . . . . 5704 1 229 . 1 1 21 21 LEU HG H 1 2.035 0.04 . 1 . . . . . . . . 5704 1 230 . 1 1 21 21 LEU CD1 C 13 27.538 0.1 . 2 . . . . . . . . 5704 1 231 . 1 1 21 21 LEU HD11 H 1 0.780 0.04 . 2 . . . . . . . . 5704 1 232 . 1 1 21 21 LEU HD12 H 1 0.780 0.04 . 2 . . . . . . . . 5704 1 233 . 1 1 21 21 LEU HD13 H 1 0.780 0.04 . 2 . . . . . . . . 5704 1 234 . 1 1 21 21 LEU CD2 C 13 23.654 0.1 . 2 . . . . . . . . 5704 1 235 . 1 1 21 21 LEU HD21 H 1 0.740 0.04 . 2 . . . . . . . . 5704 1 236 . 1 1 21 21 LEU HD22 H 1 0.740 0.04 . 2 . . . . . . . . 5704 1 237 . 1 1 21 21 LEU HD23 H 1 0.740 0.04 . 2 . . . . . . . . 5704 1 238 . 1 1 21 21 LEU C C 13 175.321 0.1 . 1 . . . . . . . . 5704 1 239 . 1 1 22 22 HIS N N 15 117.203 0.05 . 1 . . . . . . . . 5704 1 240 . 1 1 22 22 HIS H H 1 8.443 0.04 . 1 . . . . . . . . 5704 1 241 . 1 1 22 22 HIS CA C 13 61.237 0.1 . 1 . . . . . . . . 5704 1 242 . 1 1 22 22 HIS HA H 1 3.742 0.04 . 1 . . . . . . . . 5704 1 243 . 1 1 22 22 HIS CB C 13 30.240 0.1 . 1 . . . . . . . . 5704 1 244 . 1 1 22 22 HIS HB2 H 1 3.277 0.04 . 2 . . . . . . . . 5704 1 245 . 1 1 22 22 HIS CD2 C 13 120.723 0.1 . 1 . . . . . . . . 5704 1 246 . 1 1 22 22 HIS HD2 H 1 7.136 0.04 . 1 . . . . . . . . 5704 1 247 . 1 1 22 22 HIS CE1 C 13 137.875 0.1 . 1 . . . . . . . . 5704 1 248 . 1 1 22 22 HIS HE1 H 1 8.117 0.04 . 1 . . . . . . . . 5704 1 249 . 1 1 22 22 HIS C C 13 174.945 0.1 . 1 . . . . . . . . 5704 1 250 . 1 1 23 23 ASN N N 15 116.016 0.05 . 1 . . . . . . . . 5704 1 251 . 1 1 23 23 ASN H H 1 8.543 0.04 . 1 . . . . . . . . 5704 1 252 . 1 1 23 23 ASN CA C 13 56.099 0.1 . 1 . . . . . . . . 5704 1 253 . 1 1 23 23 ASN HA H 1 4.393 0.04 . 1 . . . . . . . . 5704 1 254 . 1 1 23 23 ASN CB C 13 38.055 0.1 . 1 . . . . . . . . 5704 1 255 . 1 1 23 23 ASN HB2 H 1 2.817 0.04 . 2 . . . . . . . . 5704 1 256 . 1 1 23 23 ASN CG C 13 174.227 0.1 . 1 . . . . . . . . 5704 1 257 . 1 1 23 23 ASN ND2 N 15 112.178 0.05 . 1 . . . . . . . . 5704 1 258 . 1 1 23 23 ASN HD21 H 1 6.969 0.04 . 2 . . . . . . . . 5704 1 259 . 1 1 23 23 ASN HD22 H 1 7.612 0.04 . 2 . . . . . . . . 5704 1 260 . 1 1 23 23 ASN C C 13 174.275 0.1 . 1 . . . . . . . . 5704 1 261 . 1 1 24 24 THR N N 15 116.175 0.05 . 1 . . . . . . . . 5704 1 262 . 1 1 24 24 THR H H 1 8.088 0.04 . 1 . . . . . . . . 5704 1 263 . 1 1 24 24 THR CA C 13 67.297 0.1 . 1 . . . . . . . . 5704 1 264 . 1 1 24 24 THR HA H 1 3.762 0.04 . 1 . . . . . . . . 5704 1 265 . 1 1 24 24 THR CB C 13 68.462 0.1 . 1 . . . . . . . . 5704 1 266 . 1 1 24 24 THR HB H 1 3.638 0.04 . 1 . . . . . . . . 5704 1 267 . 1 1 24 24 THR CG2 C 13 20.547 0.1 . 1 . . . . . . . . 5704 1 268 . 1 1 24 24 THR HG21 H 1 1.020 0.04 . 1 . . . . . . . . 5704 1 269 . 1 1 24 24 THR HG22 H 1 1.020 0.04 . 1 . . . . . . . . 5704 1 270 . 1 1 24 24 THR HG23 H 1 1.020 0.04 . 1 . . . . . . . . 5704 1 271 . 1 1 24 24 THR C C 13 174.282 0.1 . 1 . . . . . . . . 5704 1 272 . 1 1 25 25 ILE N N 15 121.425 0.05 . 1 . . . . . . . . 5704 1 273 . 1 1 25 25 ILE H H 1 7.655 0.04 . 1 . . . . . . . . 5704 1 274 . 1 1 25 25 ILE CA C 13 65.872 0.1 . 1 . . . . . . . . 5704 1 275 . 1 1 25 25 ILE HA H 1 3.475 0.04 . 1 . . . . . . . . 5704 1 276 . 1 1 25 25 ILE CB C 13 38.328 0.1 . 1 . . . . . . . . 5704 1 277 . 1 1 25 25 ILE HB H 1 1.627 0.04 . 1 . . . . . . . . 5704 1 278 . 1 1 25 25 ILE CG1 C 13 30.451 0.1 . 1 . . . . . . . . 5704 1 279 . 1 1 25 25 ILE HG13 H 1 0.532 0.04 . 2 . . . . . . . . 5704 1 280 . 1 1 25 25 ILE HG12 H 1 1.659 0.04 . 2 . . . . . . . . 5704 1 281 . 1 1 25 25 ILE CD1 C 13 14.892 0.1 . 1 . . . . . . . . 5704 1 282 . 1 1 25 25 ILE HD11 H 1 0.497 0.04 . 1 . . . . . . . . 5704 1 283 . 1 1 25 25 ILE HD12 H 1 0.497 0.04 . 1 . . . . . . . . 5704 1 284 . 1 1 25 25 ILE HD13 H 1 0.497 0.04 . 1 . . . . . . . . 5704 1 285 . 1 1 25 25 ILE CG2 C 13 17.016 0.1 . 1 . . . . . . . . 5704 1 286 . 1 1 25 25 ILE HG21 H 1 0.575 0.04 . 1 . . . . . . . . 5704 1 287 . 1 1 25 25 ILE HG22 H 1 0.575 0.04 . 1 . . . . . . . . 5704 1 288 . 1 1 25 25 ILE HG23 H 1 0.575 0.04 . 1 . . . . . . . . 5704 1 289 . 1 1 25 25 ILE C C 13 174.097 0.1 . 1 . . . . . . . . 5704 1 290 . 1 1 26 26 SER N N 15 112.338 0.05 . 1 . . . . . . . . 5704 1 291 . 1 1 26 26 SER H H 1 7.839 0.04 . 1 . . . . . . . . 5704 1 292 . 1 1 26 26 SER CA C 13 62.748 0.1 . 1 . . . . . . . . 5704 1 293 . 1 1 26 26 SER HA H 1 3.828 0.04 . 1 . . . . . . . . 5704 1 294 . 1 1 26 26 SER CB C 13 64.088 0.1 . 1 . . . . . . . . 5704 1 295 . 1 1 26 26 SER HB2 H 1 3.827 0.04 . 2 . . . . . . . . 5704 1 296 . 1 1 26 26 SER C C 13 173.231 0.1 . 1 . . . . . . . . 5704 1 297 . 1 1 27 27 ASP N N 15 117.802 0.05 . 1 . . . . . . . . 5704 1 298 . 1 1 27 27 ASP H H 1 8.538 0.04 . 1 . . . . . . . . 5704 1 299 . 1 1 27 27 ASP CA C 13 57.586 0.1 . 1 . . . . . . . . 5704 1 300 . 1 1 27 27 ASP HA H 1 4.298 0.04 . 1 . . . . . . . . 5704 1 301 . 1 1 27 27 ASP CB C 13 41.236 0.1 . 1 . . . . . . . . 5704 1 302 . 1 1 27 27 ASP HB3 H 1 2.609 0.04 . 1 . . . . . . . . 5704 1 303 . 1 1 27 27 ASP HB2 H 1 2.780 0.04 . 1 . . . . . . . . 5704 1 304 . 1 1 27 27 ASP C C 13 175.245 0.1 . 1 . . . . . . . . 5704 1 305 . 1 1 28 28 PHE N N 15 117.850 0.05 . 1 . . . . . . . . 5704 1 306 . 1 1 28 28 PHE H H 1 7.661 0.04 . 1 . . . . . . . . 5704 1 307 . 1 1 28 28 PHE CA C 13 61.382 0.1 . 1 . . . . . . . . 5704 1 308 . 1 1 28 28 PHE HA H 1 3.846 0.04 . 1 . . . . . . . . 5704 1 309 . 1 1 28 28 PHE CB C 13 39.831 0.1 . 1 . . . . . . . . 5704 1 310 . 1 1 28 28 PHE HB3 H 1 3.208 0.04 . 1 . . . . . . . . 5704 1 311 . 1 1 28 28 PHE HB2 H 1 3.333 0.04 . 1 . . . . . . . . 5704 1 312 . 1 1 28 28 PHE CD1 C 13 131.890 0.1 . 3 . . . . . . . . 5704 1 313 . 1 1 28 28 PHE HD1 H 1 7.032 0.04 . 3 . . . . . . . . 5704 1 314 . 1 1 28 28 PHE CE1 C 13 132.146 0.1 . 3 . . . . . . . . 5704 1 315 . 1 1 28 28 PHE HE1 H 1 7.179 0.04 . 3 . . . . . . . . 5704 1 316 . 1 1 28 28 PHE CZ C 13 130.540 0.1 . 1 . . . . . . . . 5704 1 317 . 1 1 28 28 PHE HZ H 1 7.101 0.04 . 1 . . . . . . . . 5704 1 318 . 1 1 28 28 PHE C C 13 176.140 0.1 . 1 . . . . . . . . 5704 1 319 . 1 1 29 29 ILE N N 15 116.500 0.05 . 1 . . . . . . . . 5704 1 320 . 1 1 29 29 ILE H H 1 7.832 0.04 . 1 . . . . . . . . 5704 1 321 . 1 1 29 29 ILE CA C 13 65.845 0.1 . 1 . . . . . . . . 5704 1 322 . 1 1 29 29 ILE HA H 1 3.568 0.04 . 1 . . . . . . . . 5704 1 323 . 1 1 29 29 ILE CB C 13 38.708 0.1 . 1 . . . . . . . . 5704 1 324 . 1 1 29 29 ILE HB H 1 1.972 0.04 . 1 . . . . . . . . 5704 1 325 . 1 1 29 29 ILE CG1 C 13 29.978 0.1 . 1 . . . . . . . . 5704 1 326 . 1 1 29 29 ILE HG13 H 1 0.920 0.04 . 2 . . . . . . . . 5704 1 327 . 1 1 29 29 ILE HG12 H 1 2.074 0.04 . 2 . . . . . . . . 5704 1 328 . 1 1 29 29 ILE CD1 C 13 14.495 0.1 . 1 . . . . . . . . 5704 1 329 . 1 1 29 29 ILE HD11 H 1 0.781 0.04 . 1 . . . . . . . . 5704 1 330 . 1 1 29 29 ILE HD12 H 1 0.781 0.04 . 1 . . . . . . . . 5704 1 331 . 1 1 29 29 ILE HD13 H 1 0.781 0.04 . 1 . . . . . . . . 5704 1 332 . 1 1 29 29 ILE CG2 C 13 17.751 0.1 . 1 . . . . . . . . 5704 1 333 . 1 1 29 29 ILE HG21 H 1 0.847 0.04 . 1 . . . . . . . . 5704 1 334 . 1 1 29 29 ILE HG22 H 1 0.847 0.04 . 1 . . . . . . . . 5704 1 335 . 1 1 29 29 ILE HG23 H 1 0.847 0.04 . 1 . . . . . . . . 5704 1 336 . 1 1 29 29 ILE C C 13 175.211 0.1 . 1 . . . . . . . . 5704 1 337 . 1 1 30 30 LEU N N 15 118.419 0.05 . 1 . . . . . . . . 5704 1 338 . 1 1 30 30 LEU H H 1 8.589 0.04 . 1 . . . . . . . . 5704 1 339 . 1 1 30 30 LEU CA C 13 57.222 0.1 . 1 . . . . . . . . 5704 1 340 . 1 1 30 30 LEU HA H 1 4.445 0.04 . 1 . . . . . . . . 5704 1 341 . 1 1 30 30 LEU CB C 13 41.409 0.1 . 1 . . . . . . . . 5704 1 342 . 1 1 30 30 LEU HB3 H 1 1.542 0.04 . 2 . . . . . . . . 5704 1 343 . 1 1 30 30 LEU HB2 H 1 1.855 0.04 . 2 . . . . . . . . 5704 1 344 . 1 1 30 30 LEU CG C 13 28.103 0.1 . 1 . . . . . . . . 5704 1 345 . 1 1 30 30 LEU HG H 1 1.778 0.04 . 1 . . . . . . . . 5704 1 346 . 1 1 30 30 LEU CD1 C 13 25.254 0.1 . 2 . . . . . . . . 5704 1 347 . 1 1 30 30 LEU HD11 H 1 0.885 0.04 . 2 . . . . . . . . 5704 1 348 . 1 1 30 30 LEU HD12 H 1 0.885 0.04 . 2 . . . . . . . . 5704 1 349 . 1 1 30 30 LEU HD13 H 1 0.885 0.04 . 2 . . . . . . . . 5704 1 350 . 1 1 30 30 LEU CD2 C 13 23.111 0.1 . 2 . . . . . . . . 5704 1 351 . 1 1 30 30 LEU HD21 H 1 0.884 0.04 . 2 . . . . . . . . 5704 1 352 . 1 1 30 30 LEU HD22 H 1 0.884 0.04 . 2 . . . . . . . . 5704 1 353 . 1 1 30 30 LEU HD23 H 1 0.884 0.04 . 2 . . . . . . . . 5704 1 354 . 1 1 30 30 LEU C C 13 176.403 0.1 . 1 . . . . . . . . 5704 1 355 . 1 1 31 31 LYS N N 15 115.969 0.05 . 1 . . . . . . . . 5704 1 356 . 1 1 31 31 LYS H H 1 7.502 0.04 . 1 . . . . . . . . 5704 1 357 . 1 1 31 31 LYS CA C 13 57.722 0.1 . 1 . . . . . . . . 5704 1 358 . 1 1 31 31 LYS HA H 1 4.152 0.04 . 1 . . . . . . . . 5704 1 359 . 1 1 31 31 LYS CB C 13 33.100 0.1 . 1 . . . . . . . . 5704 1 360 . 1 1 31 31 LYS HB2 H 1 1.729 0.04 . 2 . . . . . . . . 5704 1 361 . 1 1 31 31 LYS CG C 13 25.824 0.1 . 1 . . . . . . . . 5704 1 362 . 1 1 31 31 LYS HG3 H 1 1.405 0.04 . 2 . . . . . . . . 5704 1 363 . 1 1 31 31 LYS HG2 H 1 1.494 0.04 . 2 . . . . . . . . 5704 1 364 . 1 1 31 31 LYS CD C 13 28.974 0.1 . 1 . . . . . . . . 5704 1 365 . 1 1 31 31 LYS HD2 H 1 1.556 0.04 . 2 . . . . . . . . 5704 1 366 . 1 1 31 31 LYS CE C 13 42.154 0.1 . 1 . . . . . . . . 5704 1 367 . 1 1 31 31 LYS HE2 H 1 2.913 0.04 . 2 . . . . . . . . 5704 1 368 . 1 1 31 31 LYS C C 13 175.059 0.1 . 1 . . . . . . . . 5704 1 369 . 1 1 32 32 ARG N N 15 116.763 0.05 . 1 . . . . . . . . 5704 1 370 . 1 1 32 32 ARG H H 1 7.463 0.04 . 1 . . . . . . . . 5704 1 371 . 1 1 32 32 ARG CA C 13 56.633 0.1 . 1 . . . . . . . . 5704 1 372 . 1 1 32 32 ARG HA H 1 4.291 0.04 . 1 . . . . . . . . 5704 1 373 . 1 1 32 32 ARG CB C 13 33.153 0.1 . 1 . . . . . . . . 5704 1 374 . 1 1 32 32 ARG HB3 H 1 1.550 0.04 . 2 . . . . . . . . 5704 1 375 . 1 1 32 32 ARG HB2 H 1 1.954 0.04 . 2 . . . . . . . . 5704 1 376 . 1 1 32 32 ARG CG C 13 27.822 0.1 . 1 . . . . . . . . 5704 1 377 . 1 1 32 32 ARG HG2 H 1 1.433 0.04 . 2 . . . . . . . . 5704 1 378 . 1 1 32 32 ARG CD C 13 42.609 0.1 . 1 . . . . . . . . 5704 1 379 . 1 1 32 32 ARG HD3 H 1 2.711 0.04 . 2 . . . . . . . . 5704 1 380 . 1 1 32 32 ARG HD2 H 1 2.965 0.04 . 2 . . . . . . . . 5704 1 381 . 1 1 32 32 ARG NE N 15 83.829 0.05 . 1 . . . . . . . . 5704 1 382 . 1 1 32 32 ARG HE H 1 7.166 0.04 . 1 . . . . . . . . 5704 1 383 . 1 1 32 32 ARG CZ C 13 156.489 0.1 . 1 . . . . . . . . 5704 1 384 . 1 1 32 32 ARG C C 13 172.639 0.1 . 1 . . . . . . . . 5704 1 385 . 1 1 33 33 VAL N N 15 121.102 0.05 . 1 . . . . . . . . 5704 1 386 . 1 1 33 33 VAL H H 1 8.203 0.04 . 1 . . . . . . . . 5704 1 387 . 1 1 33 33 VAL CA C 13 61.012 0.1 . 1 . . . . . . . . 5704 1 388 . 1 1 33 33 VAL HA H 1 4.164 0.04 . 1 . . . . . . . . 5704 1 389 . 1 1 33 33 VAL CB C 13 34.637 0.1 . 1 . . . . . . . . 5704 1 390 . 1 1 33 33 VAL HB H 1 1.845 0.04 . 1 . . . . . . . . 5704 1 391 . 1 1 33 33 VAL CG2 C 13 22.033 0.1 . 2 . . . . . . . . 5704 1 392 . 1 1 33 33 VAL HG21 H 1 0.841 0.04 . 2 . . . . . . . . 5704 1 393 . 1 1 33 33 VAL HG22 H 1 0.841 0.04 . 2 . . . . . . . . 5704 1 394 . 1 1 33 33 VAL HG23 H 1 0.841 0.04 . 2 . . . . . . . . 5704 1 395 . 1 1 33 33 VAL CG1 C 13 21.933 0.1 . 2 . . . . . . . . 5704 1 396 . 1 1 33 33 VAL HG11 H 1 0.835 0.04 . 2 . . . . . . . . 5704 1 397 . 1 1 33 33 VAL HG12 H 1 0.835 0.04 . 2 . . . . . . . . 5704 1 398 . 1 1 33 33 VAL HG13 H 1 0.835 0.04 . 2 . . . . . . . . 5704 1 399 . 1 1 33 33 VAL C C 13 171.113 0.1 . 1 . . . . . . . . 5704 1 400 . 1 1 34 34 SER N N 15 117.797 0.05 . 1 . . . . . . . . 5704 1 401 . 1 1 34 34 SER H H 1 8.305 0.04 . 1 . . . . . . . . 5704 1 402 . 1 1 34 34 SER CA C 13 58.421 0.1 . 1 . . . . . . . . 5704 1 403 . 1 1 34 34 SER HA H 1 4.322 0.04 . 1 . . . . . . . . 5704 1 404 . 1 1 34 34 SER CB C 13 64.172 0.1 . 1 . . . . . . . . 5704 1 405 . 1 1 34 34 SER HB3 H 1 3.806 0.04 . 2 . . . . . . . . 5704 1 406 . 1 1 34 34 SER HB2 H 1 4.006 0.04 . 2 . . . . . . . . 5704 1 407 . 1 1 34 34 SER C C 13 173.842 0.1 . 1 . . . . . . . . 5704 1 408 . 1 1 35 35 ALA N N 15 127.458 0.05 . 1 . . . . . . . . 5704 1 409 . 1 1 35 35 ALA H H 1 8.704 0.04 . 1 . . . . . . . . 5704 1 410 . 1 1 35 35 ALA CA C 13 55.540 0.1 . 1 . . . . . . . . 5704 1 411 . 1 1 35 35 ALA HA H 1 3.914 0.04 . 1 . . . . . . . . 5704 1 412 . 1 1 35 35 ALA CB C 13 18.478 0.1 . 1 . . . . . . . . 5704 1 413 . 1 1 35 35 ALA HB1 H 1 1.491 0.04 . 1 . . . . . . . . 5704 1 414 . 1 1 35 35 ALA HB2 H 1 1.491 0.04 . 1 . . . . . . . . 5704 1 415 . 1 1 35 35 ALA HB3 H 1 1.491 0.04 . 1 . . . . . . . . 5704 1 416 . 1 1 35 35 ALA C C 13 177.619 0.1 . 1 . . . . . . . . 5704 1 417 . 1 1 36 36 LYS N N 15 113.309 0.05 . 1 . . . . . . . . 5704 1 418 . 1 1 36 36 LYS H H 1 7.987 0.04 . 1 . . . . . . . . 5704 1 419 . 1 1 36 36 LYS CA C 13 57.952 0.1 . 1 . . . . . . . . 5704 1 420 . 1 1 36 36 LYS HA H 1 4.168 0.04 . 1 . . . . . . . . 5704 1 421 . 1 1 36 36 LYS CB C 13 32.301 0.1 . 1 . . . . . . . . 5704 1 422 . 1 1 36 36 LYS HB2 H 1 1.857 0.04 . 2 . . . . . . . . 5704 1 423 . 1 1 36 36 LYS CG C 13 24.949 0.1 . 1 . . . . . . . . 5704 1 424 . 1 1 36 36 LYS HG3 H 1 1.425 0.04 . 2 . . . . . . . . 5704 1 425 . 1 1 36 36 LYS HG2 H 1 1.490 0.04 . 2 . . . . . . . . 5704 1 426 . 1 1 36 36 LYS CD C 13 29.161 0.1 . 1 . . . . . . . . 5704 1 427 . 1 1 36 36 LYS HD2 H 1 1.696 0.04 . 2 . . . . . . . . 5704 1 428 . 1 1 36 36 LYS CE C 13 42.064 0.1 . 1 . . . . . . . . 5704 1 429 . 1 1 36 36 LYS HE2 H 1 3.017 0.04 . 2 . . . . . . . . 5704 1 430 . 1 1 36 36 LYS C C 13 175.122 0.1 . 1 . . . . . . . . 5704 1 431 . 1 1 37 37 GLU N N 15 116.277 0.05 . 1 . . . . . . . . 5704 1 432 . 1 1 37 37 GLU H H 1 7.833 0.04 . 1 . . . . . . . . 5704 1 433 . 1 1 37 37 GLU CA C 13 56.633 0.1 . 1 . . . . . . . . 5704 1 434 . 1 1 37 37 GLU HA H 1 4.266 0.04 . 1 . . . . . . . . 5704 1 435 . 1 1 37 37 GLU CB C 13 30.606 0.1 . 1 . . . . . . . . 5704 1 436 . 1 1 37 37 GLU HB2 H 1 2.149 0.04 . 2 . . . . . . . . 5704 1 437 . 1 1 37 37 GLU CG C 13 37.586 0.1 . 1 . . . . . . . . 5704 1 438 . 1 1 37 37 GLU HG3 H 1 2.186 0.04 . 2 . . . . . . . . 5704 1 439 . 1 1 37 37 GLU HG2 H 1 2.322 0.04 . 2 . . . . . . . . 5704 1 440 . 1 1 37 37 GLU C C 13 172.008 0.1 . 1 . . . . . . . . 5704 1 441 . 1 1 38 38 ILE N N 15 118.800 0.05 . 1 . . . . . . . . 5704 1 442 . 1 1 38 38 ILE H H 1 7.284 0.04 . 1 . . . . . . . . 5704 1 443 . 1 1 38 38 ILE CA C 13 62.249 0.1 . 1 . . . . . . . . 5704 1 444 . 1 1 38 38 ILE HA H 1 4.004 0.04 . 1 . . . . . . . . 5704 1 445 . 1 1 38 38 ILE CB C 13 37.028 0.1 . 1 . . . . . . . . 5704 1 446 . 1 1 38 38 ILE HB H 1 1.857 0.04 . 1 . . . . . . . . 5704 1 447 . 1 1 38 38 ILE CG1 C 13 27.871 0.1 . 1 . . . . . . . . 5704 1 448 . 1 1 38 38 ILE HG13 H 1 0.622 0.04 . 2 . . . . . . . . 5704 1 449 . 1 1 38 38 ILE HG12 H 1 1.761 0.04 . 2 . . . . . . . . 5704 1 450 . 1 1 38 38 ILE CD1 C 13 14.220 0.1 . 1 . . . . . . . . 5704 1 451 . 1 1 38 38 ILE HD11 H 1 0.701 0.04 . 1 . . . . . . . . 5704 1 452 . 1 1 38 38 ILE HD12 H 1 0.701 0.04 . 1 . . . . . . . . 5704 1 453 . 1 1 38 38 ILE HD13 H 1 0.701 0.04 . 1 . . . . . . . . 5704 1 454 . 1 1 38 38 ILE CG2 C 13 17.495 0.1 . 1 . . . . . . . . 5704 1 455 . 1 1 38 38 ILE HG21 H 1 0.706 0.04 . 1 . . . . . . . . 5704 1 456 . 1 1 38 38 ILE HG22 H 1 0.706 0.04 . 1 . . . . . . . . 5704 1 457 . 1 1 38 38 ILE HG23 H 1 0.706 0.04 . 1 . . . . . . . . 5704 1 458 . 1 1 38 38 ILE C C 13 173.270 0.1 . 1 . . . . . . . . 5704 1 459 . 1 1 39 39 VAL N N 15 128.672 0.05 . 1 . . . . . . . . 5704 1 460 . 1 1 39 39 VAL H H 1 9.002 0.04 . 1 . . . . . . . . 5704 1 461 . 1 1 39 39 VAL CA C 13 64.833 0.1 . 1 . . . . . . . . 5704 1 462 . 1 1 39 39 VAL HA H 1 3.938 0.04 . 1 . . . . . . . . 5704 1 463 . 1 1 39 39 VAL CB C 13 32.430 0.1 . 1 . . . . . . . . 5704 1 464 . 1 1 39 39 VAL HB H 1 1.744 0.04 . 1 . . . . . . . . 5704 1 465 . 1 1 39 39 VAL CG2 C 13 20.838 0.1 . 2 . . . . . . . . 5704 1 466 . 1 1 39 39 VAL HG21 H 1 0.882 0.04 . 2 . . . . . . . . 5704 1 467 . 1 1 39 39 VAL HG22 H 1 0.882 0.04 . 2 . . . . . . . . 5704 1 468 . 1 1 39 39 VAL HG23 H 1 0.882 0.04 . 2 . . . . . . . . 5704 1 469 . 1 1 39 39 VAL CG1 C 13 21.112 0.1 . 2 . . . . . . . . 5704 1 470 . 1 1 39 39 VAL HG11 H 1 0.880 0.04 . 2 . . . . . . . . 5704 1 471 . 1 1 39 39 VAL HG12 H 1 0.880 0.04 . 2 . . . . . . . . 5704 1 472 . 1 1 39 39 VAL HG13 H 1 0.880 0.04 . 2 . . . . . . . . 5704 1 473 . 1 1 39 39 VAL C C 13 173.949 0.1 . 1 . . . . . . . . 5704 1 474 . 1 1 40 40 ASP N N 15 115.663 0.05 . 1 . . . . . . . . 5704 1 475 . 1 1 40 40 ASP H H 1 8.070 0.04 . 1 . . . . . . . . 5704 1 476 . 1 1 40 40 ASP CA C 13 54.384 0.1 . 1 . . . . . . . . 5704 1 477 . 1 1 40 40 ASP HA H 1 4.823 0.04 . 1 . . . . . . . . 5704 1 478 . 1 1 40 40 ASP CB C 13 44.619 0.1 . 1 . . . . . . . . 5704 1 479 . 1 1 40 40 ASP HB3 H 1 2.447 0.04 . 2 . . . . . . . . 5704 1 480 . 1 1 40 40 ASP HB2 H 1 2.697 0.04 . 2 . . . . . . . . 5704 1 481 . 1 1 40 40 ASP C C 13 171.002 0.1 . 1 . . . . . . . . 5704 1 482 . 1 1 41 41 ILE N N 15 120.345 0.05 . 1 . . . . . . . . 5704 1 483 . 1 1 41 41 ILE H H 1 8.391 0.04 . 1 . . . . . . . . 5704 1 484 . 1 1 41 41 ILE CA C 13 60.866 0.1 . 1 . . . . . . . . 5704 1 485 . 1 1 41 41 ILE HA H 1 4.665 0.04 . 1 . . . . . . . . 5704 1 486 . 1 1 41 41 ILE CB C 13 40.482 0.1 . 1 . . . . . . . . 5704 1 487 . 1 1 41 41 ILE HB H 1 1.801 0.04 . 1 . . . . . . . . 5704 1 488 . 1 1 41 41 ILE CG1 C 13 28.109 0.1 . 1 . . . . . . . . 5704 1 489 . 1 1 41 41 ILE HG13 H 1 0.887 0.04 . 2 . . . . . . . . 5704 1 490 . 1 1 41 41 ILE HG12 H 1 1.638 0.04 . 2 . . . . . . . . 5704 1 491 . 1 1 41 41 ILE CD1 C 13 14.126 0.1 . 1 . . . . . . . . 5704 1 492 . 1 1 41 41 ILE HD11 H 1 0.873 0.04 . 1 . . . . . . . . 5704 1 493 . 1 1 41 41 ILE HD12 H 1 0.873 0.04 . 1 . . . . . . . . 5704 1 494 . 1 1 41 41 ILE HD13 H 1 0.873 0.04 . 1 . . . . . . . . 5704 1 495 . 1 1 41 41 ILE CG2 C 13 16.961 0.1 . 1 . . . . . . . . 5704 1 496 . 1 1 41 41 ILE HG21 H 1 0.810 0.04 . 1 . . . . . . . . 5704 1 497 . 1 1 41 41 ILE HG22 H 1 0.810 0.04 . 1 . . . . . . . . 5704 1 498 . 1 1 41 41 ILE HG23 H 1 0.810 0.04 . 1 . . . . . . . . 5704 1 499 . 1 1 41 41 ILE C C 13 171.108 0.1 . 1 . . . . . . . . 5704 1 500 . 1 1 42 42 ASP N N 15 127.222 0.05 . 1 . . . . . . . . 5704 1 501 . 1 1 42 42 ASP H H 1 8.906 0.04 . 1 . . . . . . . . 5704 1 502 . 1 1 42 42 ASP CA C 13 53.409 0.1 . 1 . . . . . . . . 5704 1 503 . 1 1 42 42 ASP HA H 1 5.016 0.04 . 1 . . . . . . . . 5704 1 504 . 1 1 42 42 ASP CB C 13 43.264 0.1 . 1 . . . . . . . . 5704 1 505 . 1 1 42 42 ASP HB3 H 1 2.572 0.04 . 1 . . . . . . . . 5704 1 506 . 1 1 42 42 ASP HB2 H 1 2.840 0.04 . 1 . . . . . . . . 5704 1 507 . 1 1 42 42 ASP C C 13 172.600 0.1 . 1 . . . . . . . . 5704 1 508 . 1 1 43 43 ILE N N 15 126.151 0.05 . 1 . . . . . . . . 5704 1 509 . 1 1 43 43 ILE H H 1 8.623 0.04 . 1 . . . . . . . . 5704 1 510 . 1 1 43 43 ILE CA C 13 61.070 0.1 . 1 . . . . . . . . 5704 1 511 . 1 1 43 43 ILE HA H 1 4.452 0.04 . 1 . . . . . . . . 5704 1 512 . 1 1 43 43 ILE CB C 13 40.796 0.1 . 1 . . . . . . . . 5704 1 513 . 1 1 43 43 ILE HB H 1 1.502 0.04 . 1 . . . . . . . . 5704 1 514 . 1 1 43 43 ILE CG1 C 13 28.026 0.1 . 1 . . . . . . . . 5704 1 515 . 1 1 43 43 ILE HG13 H 1 0.573 0.04 . 2 . . . . . . . . 5704 1 516 . 1 1 43 43 ILE HG12 H 1 1.469 0.04 . 2 . . . . . . . . 5704 1 517 . 1 1 43 43 ILE CD1 C 13 14.410 0.1 . 1 . . . . . . . . 5704 1 518 . 1 1 43 43 ILE HD11 H 1 0.570 0.04 . 1 . . . . . . . . 5704 1 519 . 1 1 43 43 ILE HD12 H 1 0.570 0.04 . 1 . . . . . . . . 5704 1 520 . 1 1 43 43 ILE HD13 H 1 0.570 0.04 . 1 . . . . . . . . 5704 1 521 . 1 1 43 43 ILE CG2 C 13 18.505 0.1 . 1 . . . . . . . . 5704 1 522 . 1 1 43 43 ILE HG21 H 1 0.530 0.04 . 1 . . . . . . . . 5704 1 523 . 1 1 43 43 ILE HG22 H 1 0.530 0.04 . 1 . . . . . . . . 5704 1 524 . 1 1 43 43 ILE HG23 H 1 0.530 0.04 . 1 . . . . . . . . 5704 1 525 . 1 1 43 43 ILE C C 13 172.462 0.1 . 1 . . . . . . . . 5704 1 526 . 1 1 44 44 THR N N 15 124.304 0.05 . 1 . . . . . . . . 5704 1 527 . 1 1 44 44 THR H H 1 9.099 0.04 . 1 . . . . . . . . 5704 1 528 . 1 1 44 44 THR CA C 13 62.394 0.1 . 1 . . . . . . . . 5704 1 529 . 1 1 44 44 THR HA H 1 4.515 0.04 . 1 . . . . . . . . 5704 1 530 . 1 1 44 44 THR CB C 13 70.376 0.1 . 1 . . . . . . . . 5704 1 531 . 1 1 44 44 THR HB H 1 3.989 0.04 . 1 . . . . . . . . 5704 1 532 . 1 1 44 44 THR CG2 C 13 21.354 0.1 . 1 . . . . . . . . 5704 1 533 . 1 1 44 44 THR HG21 H 1 1.126 0.04 . 1 . . . . . . . . 5704 1 534 . 1 1 44 44 THR HG22 H 1 1.126 0.04 . 1 . . . . . . . . 5704 1 535 . 1 1 44 44 THR HG23 H 1 1.126 0.04 . 1 . . . . . . . . 5704 1 536 . 1 1 44 44 THR C C 13 170.277 0.1 . 1 . . . . . . . . 5704 1 537 . 1 1 45 45 VAL N N 15 126.323 0.05 . 1 . . . . . . . . 5704 1 538 . 1 1 45 45 VAL H H 1 8.803 0.04 . 1 . . . . . . . . 5704 1 539 . 1 1 45 45 VAL CA C 13 61.267 0.1 . 1 . . . . . . . . 5704 1 540 . 1 1 45 45 VAL HA H 1 4.497 0.04 . 1 . . . . . . . . 5704 1 541 . 1 1 45 45 VAL CB C 13 33.888 0.1 . 1 . . . . . . . . 5704 1 542 . 1 1 45 45 VAL HB H 1 2.063 0.04 . 1 . . . . . . . . 5704 1 543 . 1 1 45 45 VAL CG2 C 13 20.963 0.1 . 2 . . . . . . . . 5704 1 544 . 1 1 45 45 VAL HG21 H 1 0.695 0.04 . 2 . . . . . . . . 5704 1 545 . 1 1 45 45 VAL HG22 H 1 0.695 0.04 . 2 . . . . . . . . 5704 1 546 . 1 1 45 45 VAL HG23 H 1 0.695 0.04 . 2 . . . . . . . . 5704 1 547 . 1 1 45 45 VAL CG1 C 13 22.898 0.1 . 2 . . . . . . . . 5704 1 548 . 1 1 45 45 VAL HG11 H 1 0.871 0.04 . 2 . . . . . . . . 5704 1 549 . 1 1 45 45 VAL HG12 H 1 0.871 0.04 . 2 . . . . . . . . 5704 1 550 . 1 1 45 45 VAL HG13 H 1 0.871 0.04 . 2 . . . . . . . . 5704 1 551 . 1 1 45 45 VAL C C 13 171.692 0.1 . 1 . . . . . . . . 5704 1 552 . 1 1 46 46 LEU N N 15 129.723 0.05 . 1 . . . . . . . . 5704 1 553 . 1 1 46 46 LEU H H 1 9.012 0.04 . 1 . . . . . . . . 5704 1 554 . 1 1 46 46 LEU CA C 13 54.055 0.1 . 1 . . . . . . . . 5704 1 555 . 1 1 46 46 LEU HA H 1 4.806 0.04 . 1 . . . . . . . . 5704 1 556 . 1 1 46 46 LEU CB C 13 43.483 0.1 . 1 . . . . . . . . 5704 1 557 . 1 1 46 46 LEU HB2 H 1 1.674 0.04 . 2 . . . . . . . . 5704 1 558 . 1 1 46 46 LEU CG C 13 27.378 0.1 . 1 . . . . . . . . 5704 1 559 . 1 1 46 46 LEU HG H 1 1.488 0.04 . 1 . . . . . . . . 5704 1 560 . 1 1 46 46 LEU CD1 C 13 24.907 0.1 . 2 . . . . . . . . 5704 1 561 . 1 1 46 46 LEU HD11 H 1 0.878 0.04 . 2 . . . . . . . . 5704 1 562 . 1 1 46 46 LEU HD12 H 1 0.878 0.04 . 2 . . . . . . . . 5704 1 563 . 1 1 46 46 LEU HD13 H 1 0.878 0.04 . 2 . . . . . . . . 5704 1 564 . 1 1 46 46 LEU CD2 C 13 24.267 0.1 . 2 . . . . . . . . 5704 1 565 . 1 1 46 46 LEU HD21 H 1 0.861 0.04 . 2 . . . . . . . . 5704 1 566 . 1 1 46 46 LEU HD22 H 1 0.861 0.04 . 2 . . . . . . . . 5704 1 567 . 1 1 46 46 LEU HD23 H 1 0.861 0.04 . 2 . . . . . . . . 5704 1 568 . 1 1 46 46 LEU C C 13 172.847 0.1 . 1 . . . . . . . . 5704 1 569 . 1 1 47 47 VAL N N 15 122.862 0.05 . 1 . . . . . . . . 5704 1 570 . 1 1 47 47 VAL H H 1 8.575 0.04 . 1 . . . . . . . . 5704 1 571 . 1 1 47 47 VAL CA C 13 60.692 0.1 . 1 . . . . . . . . 5704 1 572 . 1 1 47 47 VAL HA H 1 4.989 0.04 . 1 . . . . . . . . 5704 1 573 . 1 1 47 47 VAL CB C 13 34.218 0.1 . 1 . . . . . . . . 5704 1 574 . 1 1 47 47 VAL HB H 1 1.999 0.04 . 1 . . . . . . . . 5704 1 575 . 1 1 47 47 VAL CG2 C 13 21.850 0.1 . 2 . . . . . . . . 5704 1 576 . 1 1 47 47 VAL HG21 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 577 . 1 1 47 47 VAL HG22 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 578 . 1 1 47 47 VAL HG23 H 1 0.905 0.04 . 2 . . . . . . . . 5704 1 579 . 1 1 47 47 VAL CG1 C 13 23.095 0.1 . 2 . . . . . . . . 5704 1 580 . 1 1 47 47 VAL HG11 H 1 1.389 0.04 . 2 . . . . . . . . 5704 1 581 . 1 1 47 47 VAL HG12 H 1 1.389 0.04 . 2 . . . . . . . . 5704 1 582 . 1 1 47 47 VAL HG13 H 1 1.389 0.04 . 2 . . . . . . . . 5704 1 583 . 1 1 47 47 VAL C C 13 171.851 0.1 . 1 . . . . . . . . 5704 1 584 . 1 1 48 48 GLU N N 15 124.364 0.05 . 1 . . . . . . . . 5704 1 585 . 1 1 48 48 GLU H H 1 8.980 0.04 . 1 . . . . . . . . 5704 1 586 . 1 1 48 48 GLU CA C 13 55.025 0.1 . 1 . . . . . . . . 5704 1 587 . 1 1 48 48 GLU HA H 1 4.698 0.04 . 1 . . . . . . . . 5704 1 588 . 1 1 48 48 GLU CB C 13 34.175 0.1 . 1 . . . . . . . . 5704 1 589 . 1 1 48 48 GLU HB3 H 1 1.920 0.04 . 2 . . . . . . . . 5704 1 590 . 1 1 48 48 GLU HB2 H 1 2.050 0.04 . 2 . . . . . . . . 5704 1 591 . 1 1 48 48 GLU CG C 13 36.645 0.1 . 1 . . . . . . . . 5704 1 592 . 1 1 48 48 GLU HG2 H 1 2.171 0.04 . 2 . . . . . . . . 5704 1 593 . 1 1 48 48 GLU C C 13 171.303 0.1 . 1 . . . . . . . . 5704 1 594 . 1 1 49 49 TYR N N 15 123.801 0.05 . 1 . . . . . . . . 5704 1 595 . 1 1 49 49 TYR H H 1 9.135 0.04 . 1 . . . . . . . . 5704 1 596 . 1 1 49 49 TYR CA C 13 57.377 0.1 . 1 . . . . . . . . 5704 1 597 . 1 1 49 49 TYR HA H 1 5.494 0.04 . 1 . . . . . . . . 5704 1 598 . 1 1 49 49 TYR CB C 13 41.802 0.1 . 1 . . . . . . . . 5704 1 599 . 1 1 49 49 TYR HB3 H 1 2.636 0.04 . 1 . . . . . . . . 5704 1 600 . 1 1 49 49 TYR HB2 H 1 3.048 0.04 . 1 . . . . . . . . 5704 1 601 . 1 1 49 49 TYR CD1 C 13 133.055 0.1 . 3 . . . . . . . . 5704 1 602 . 1 1 49 49 TYR HD1 H 1 6.858 0.04 . 3 . . . . . . . . 5704 1 603 . 1 1 49 49 TYR CE1 C 13 118.200 0.1 . 3 . . . . . . . . 5704 1 604 . 1 1 49 49 TYR HE1 H 1 6.739 0.04 . 3 . . . . . . . . 5704 1 605 . 1 1 49 49 TYR C C 13 172.011 0.1 . 1 . . . . . . . . 5704 1 606 . 1 1 50 50 THR N N 15 119.542 0.05 . 1 . . . . . . . . 5704 1 607 . 1 1 50 50 THR H H 1 7.648 0.04 . 1 . . . . . . . . 5704 1 608 . 1 1 50 50 THR CA C 13 60.239 0.1 . 1 . . . . . . . . 5704 1 609 . 1 1 50 50 THR HA H 1 4.387 0.04 . 1 . . . . . . . . 5704 1 610 . 1 1 50 50 THR CB C 13 68.163 0.1 . 1 . . . . . . . . 5704 1 611 . 1 1 50 50 THR HB H 1 4.290 0.04 . 1 . . . . . . . . 5704 1 612 . 1 1 50 50 THR CG2 C 13 22.324 0.1 . 1 . . . . . . . . 5704 1 613 . 1 1 50 50 THR HG21 H 1 1.161 0.04 . 1 . . . . . . . . 5704 1 614 . 1 1 50 50 THR HG22 H 1 1.161 0.04 . 1 . . . . . . . . 5704 1 615 . 1 1 50 50 THR HG23 H 1 1.161 0.04 . 1 . . . . . . . . 5704 1 616 . 1 1 50 50 THR C C 13 170.775 0.1 . 1 . . . . . . . . 5704 1 617 . 1 1 51 51 ASP N N 15 119.275 0.05 . 1 . . . . . . . . 5704 1 618 . 1 1 51 51 ASP H H 1 8.820 0.04 . 1 . . . . . . . . 5704 1 619 . 1 1 51 51 ASP CA C 13 54.372 0.1 . 1 . . . . . . . . 5704 1 620 . 1 1 51 51 ASP HA H 1 4.398 0.04 . 1 . . . . . . . . 5704 1 621 . 1 1 51 51 ASP CB C 13 40.678 0.1 . 1 . . . . . . . . 5704 1 622 . 1 1 51 51 ASP HB3 H 1 2.635 0.04 . 2 . . . . . . . . 5704 1 623 . 1 1 51 51 ASP HB2 H 1 2.798 0.04 . 2 . . . . . . . . 5704 1 624 . 1 1 51 51 ASP C C 13 172.078 0.1 . 1 . . . . . . . . 5704 1 625 . 1 1 52 52 GLU N N 15 114.941 0.05 . 1 . . . . . . . . 5704 1 626 . 1 1 52 52 GLU H H 1 6.832 0.04 . 1 . . . . . . . . 5704 1 627 . 1 1 52 52 GLU CA C 13 54.143 0.1 . 1 . . . . . . . . 5704 1 628 . 1 1 52 52 GLU HA H 1 4.443 0.04 . 1 . . . . . . . . 5704 1 629 . 1 1 52 52 GLU CB C 13 32.570 0.1 . 1 . . . . . . . . 5704 1 630 . 1 1 52 52 GLU HB3 H 1 2.631 0.04 . 2 . . . . . . . . 5704 1 631 . 1 1 52 52 GLU HB2 H 1 1.938 0.04 . 2 . . . . . . . . 5704 1 632 . 1 1 52 52 GLU CG C 13 35.043 0.1 . 1 . . . . . . . . 5704 1 633 . 1 1 52 52 GLU HG3 H 1 1.970 0.04 . 2 . . . . . . . . 5704 1 634 . 1 1 52 52 GLU HG2 H 1 2.135 0.04 . 2 . . . . . . . . 5704 1 635 . 1 1 52 52 GLU C C 13 171.501 0.1 . 1 . . . . . . . . 5704 1 636 . 1 1 53 53 LEU N N 15 122.418 0.05 . 1 . . . . . . . . 5704 1 637 . 1 1 53 53 LEU H H 1 8.872 0.04 . 1 . . . . . . . . 5704 1 638 . 1 1 53 53 LEU CA C 13 55.393 0.1 . 1 . . . . . . . . 5704 1 639 . 1 1 53 53 LEU HA H 1 4.868 0.04 . 1 . . . . . . . . 5704 1 640 . 1 1 53 53 LEU CB C 13 43.413 0.1 . 1 . . . . . . . . 5704 1 641 . 1 1 53 53 LEU HB3 H 1 1.347 0.04 . 2 . . . . . . . . 5704 1 642 . 1 1 53 53 LEU HB2 H 1 1.968 0.04 . 2 . . . . . . . . 5704 1 643 . 1 1 53 53 LEU CG C 13 27.495 0.1 . 1 . . . . . . . . 5704 1 644 . 1 1 53 53 LEU HG H 1 1.475 0.04 . 1 . . . . . . . . 5704 1 645 . 1 1 53 53 LEU CD1 C 13 27.199 0.1 . 2 . . . . . . . . 5704 1 646 . 1 1 53 53 LEU HD11 H 1 0.828 0.04 . 2 . . . . . . . . 5704 1 647 . 1 1 53 53 LEU HD12 H 1 0.828 0.04 . 2 . . . . . . . . 5704 1 648 . 1 1 53 53 LEU HD13 H 1 0.828 0.04 . 2 . . . . . . . . 5704 1 649 . 1 1 53 53 LEU CD2 C 13 24.313 0.1 . 2 . . . . . . . . 5704 1 650 . 1 1 53 53 LEU HD21 H 1 0.817 0.04 . 2 . . . . . . . . 5704 1 651 . 1 1 53 53 LEU HD22 H 1 0.817 0.04 . 2 . . . . . . . . 5704 1 652 . 1 1 53 53 LEU HD23 H 1 0.817 0.04 . 2 . . . . . . . . 5704 1 653 . 1 1 53 53 LEU C C 13 172.750 0.1 . 1 . . . . . . . . 5704 1 654 . 1 1 54 54 LYS N N 15 128.734 0.05 . 1 . . . . . . . . 5704 1 655 . 1 1 54 54 LYS H H 1 9.239 0.04 . 1 . . . . . . . . 5704 1 656 . 1 1 54 54 LYS CA C 13 55.535 0.1 . 1 . . . . . . . . 5704 1 657 . 1 1 54 54 LYS HA H 1 4.743 0.04 . 1 . . . . . . . . 5704 1 658 . 1 1 54 54 LYS CB C 13 34.873 0.1 . 1 . . . . . . . . 5704 1 659 . 1 1 54 54 LYS HB3 H 1 1.742 0.04 . 2 . . . . . . . . 5704 1 660 . 1 1 54 54 LYS HB2 H 1 1.832 0.04 . 2 . . . . . . . . 5704 1 661 . 1 1 54 54 LYS CG C 13 24.745 0.1 . 1 . . . . . . . . 5704 1 662 . 1 1 54 54 LYS HG3 H 1 1.334 0.04 . 2 . . . . . . . . 5704 1 663 . 1 1 54 54 LYS HG2 H 1 1.417 0.04 . 2 . . . . . . . . 5704 1 664 . 1 1 54 54 LYS CD C 13 29.127 0.1 . 1 . . . . . . . . 5704 1 665 . 1 1 54 54 LYS HD2 H 1 1.645 0.04 . 2 . . . . . . . . 5704 1 666 . 1 1 54 54 LYS CE C 13 42.160 0.1 . 1 . . . . . . . . 5704 1 667 . 1 1 54 54 LYS HE2 H 1 2.920 0.04 . 2 . . . . . . . . 5704 1 668 . 1 1 54 54 LYS C C 13 172.136 0.1 . 1 . . . . . . . . 5704 1 669 . 1 1 55 55 VAL N N 15 122.371 0.05 . 1 . . . . . . . . 5704 1 670 . 1 1 55 55 VAL H H 1 8.564 0.04 . 1 . . . . . . . . 5704 1 671 . 1 1 55 55 VAL CA C 13 60.815 0.1 . 1 . . . . . . . . 5704 1 672 . 1 1 55 55 VAL HA H 1 5.014 0.04 . 1 . . . . . . . . 5704 1 673 . 1 1 55 55 VAL CB C 13 35.091 0.1 . 1 . . . . . . . . 5704 1 674 . 1 1 55 55 VAL HB H 1 2.078 0.04 . 1 . . . . . . . . 5704 1 675 . 1 1 55 55 VAL CG2 C 13 22.092 0.1 . 2 . . . . . . . . 5704 1 676 . 1 1 55 55 VAL HG21 H 1 0.814 0.04 . 2 . . . . . . . . 5704 1 677 . 1 1 55 55 VAL HG22 H 1 0.814 0.04 . 2 . . . . . . . . 5704 1 678 . 1 1 55 55 VAL HG23 H 1 0.814 0.04 . 2 . . . . . . . . 5704 1 679 . 1 1 55 55 VAL CG1 C 13 21.255 0.1 . 2 . . . . . . . . 5704 1 680 . 1 1 55 55 VAL HG11 H 1 0.923 0.04 . 2 . . . . . . . . 5704 1 681 . 1 1 55 55 VAL HG12 H 1 0.923 0.04 . 2 . . . . . . . . 5704 1 682 . 1 1 55 55 VAL HG13 H 1 0.923 0.04 . 2 . . . . . . . . 5704 1 683 . 1 1 55 55 VAL C C 13 171.881 0.1 . 1 . . . . . . . . 5704 1 684 . 1 1 56 56 ASP N N 15 127.199 0.05 . 1 . . . . . . . . 5704 1 685 . 1 1 56 56 ASP H H 1 9.067 0.04 . 1 . . . . . . . . 5704 1 686 . 1 1 56 56 ASP CA C 13 54.028 0.1 . 1 . . . . . . . . 5704 1 687 . 1 1 56 56 ASP HA H 1 5.092 0.04 . 1 . . . . . . . . 5704 1 688 . 1 1 56 56 ASP CB C 13 44.626 0.1 . 1 . . . . . . . . 5704 1 689 . 1 1 56 56 ASP HB3 H 1 2.542 0.04 . 2 . . . . . . . . 5704 1 690 . 1 1 56 56 ASP HB2 H 1 2.710 0.04 . 2 . . . . . . . . 5704 1 691 . 1 1 56 56 ASP C C 13 172.012 0.1 . 1 . . . . . . . . 5704 1 692 . 1 1 57 57 ILE N N 15 122.258 0.05 . 1 . . . . . . . . 5704 1 693 . 1 1 57 57 ILE H H 1 7.969 0.04 . 1 . . . . . . . . 5704 1 694 . 1 1 57 57 ILE CA C 13 60.514 0.1 . 1 . . . . . . . . 5704 1 695 . 1 1 57 57 ILE HA H 1 4.800 0.04 . 1 . . . . . . . . 5704 1 696 . 1 1 57 57 ILE CB C 13 41.186 0.1 . 1 . . . . . . . . 5704 1 697 . 1 1 57 57 ILE HB H 1 1.467 0.04 . 1 . . . . . . . . 5704 1 698 . 1 1 57 57 ILE CG1 C 13 27.576 0.1 . 1 . . . . . . . . 5704 1 699 . 1 1 57 57 ILE HG13 H 1 0.692 0.04 . 2 . . . . . . . . 5704 1 700 . 1 1 57 57 ILE HG12 H 1 1.429 0.04 . 2 . . . . . . . . 5704 1 701 . 1 1 57 57 ILE CD1 C 13 14.198 0.1 . 1 . . . . . . . . 5704 1 702 . 1 1 57 57 ILE HD11 H 1 0.189 0.04 . 1 . . . . . . . . 5704 1 703 . 1 1 57 57 ILE HD12 H 1 0.189 0.04 . 1 . . . . . . . . 5704 1 704 . 1 1 57 57 ILE HD13 H 1 0.189 0.04 . 1 . . . . . . . . 5704 1 705 . 1 1 57 57 ILE CG2 C 13 18.988 0.1 . 1 . . . . . . . . 5704 1 706 . 1 1 57 57 ILE HG21 H 1 0.157 0.04 . 1 . . . . . . . . 5704 1 707 . 1 1 57 57 ILE HG22 H 1 0.157 0.04 . 1 . . . . . . . . 5704 1 708 . 1 1 57 57 ILE HG23 H 1 0.157 0.04 . 1 . . . . . . . . 5704 1 709 . 1 1 57 57 ILE C C 13 172.086 0.1 . 1 . . . . . . . . 5704 1 710 . 1 1 58 58 SER N N 15 120.138 0.05 . 1 . . . . . . . . 5704 1 711 . 1 1 58 58 SER H H 1 8.802 0.04 . 1 . . . . . . . . 5704 1 712 . 1 1 58 58 SER CA C 13 57.260 0.1 . 1 . . . . . . . . 5704 1 713 . 1 1 58 58 SER HA H 1 4.676 0.04 . 1 . . . . . . . . 5704 1 714 . 1 1 58 58 SER CB C 13 65.357 0.1 . 1 . . . . . . . . 5704 1 715 . 1 1 58 58 SER HB3 H 1 3.756 0.04 . 2 . . . . . . . . 5704 1 716 . 1 1 58 58 SER HB2 H 1 3.788 0.04 . 2 . . . . . . . . 5704 1 717 . 1 1 58 58 SER C C 13 169.380 0.1 . 1 . . . . . . . . 5704 1 718 . 1 1 59 59 ALA N N 15 123.569 0.05 . 1 . . . . . . . . 5704 1 719 . 1 1 59 59 ALA H H 1 8.564 0.04 . 1 . . . . . . . . 5704 1 720 . 1 1 59 59 ALA CA C 13 51.249 0.1 . 1 . . . . . . . . 5704 1 721 . 1 1 59 59 ALA HA H 1 5.257 0.04 . 1 . . . . . . . . 5704 1 722 . 1 1 59 59 ALA CB C 13 22.192 0.1 . 1 . . . . . . . . 5704 1 723 . 1 1 59 59 ALA HB1 H 1 0.990 0.04 . 1 . . . . . . . . 5704 1 724 . 1 1 59 59 ALA HB2 H 1 0.990 0.04 . 1 . . . . . . . . 5704 1 725 . 1 1 59 59 ALA HB3 H 1 0.990 0.04 . 1 . . . . . . . . 5704 1 726 . 1 1 59 59 ALA C C 13 171.941 0.1 . 1 . . . . . . . . 5704 1 727 . 1 1 60 60 GLU N N 15 118.539 0.05 . 1 . . . . . . . . 5704 1 728 . 1 1 60 60 GLU H H 1 8.643 0.04 . 1 . . . . . . . . 5704 1 729 . 1 1 60 60 GLU CA C 13 55.209 0.1 . 1 . . . . . . . . 5704 1 730 . 1 1 60 60 GLU HA H 1 4.472 0.04 . 1 . . . . . . . . 5704 1 731 . 1 1 60 60 GLU CB C 13 33.789 0.1 . 1 . . . . . . . . 5704 1 732 . 1 1 60 60 GLU HB2 H 1 1.826 0.04 . 2 . . . . . . . . 5704 1 733 . 1 1 60 60 GLU CG C 13 36.034 0.1 . 1 . . . . . . . . 5704 1 734 . 1 1 60 60 GLU HG2 H 1 2.093 0.04 . 2 . . . . . . . . 5704 1 735 . 1 1 60 60 GLU C C 13 170.590 0.1 . 1 . . . . . . . . 5704 1 736 . 1 1 61 61 LEU N N 15 124.305 0.05 . 1 . . . . . . . . 5704 1 737 . 1 1 61 61 LEU H H 1 8.581 0.04 . 1 . . . . . . . . 5704 1 738 . 1 1 61 61 LEU CA C 13 53.531 0.1 . 1 . . . . . . . . 5704 1 739 . 1 1 61 61 LEU HA H 1 4.709 0.04 . 1 . . . . . . . . 5704 1 740 . 1 1 61 61 LEU CB C 13 46.341 0.1 . 1 . . . . . . . . 5704 1 741 . 1 1 61 61 LEU HB3 H 1 1.824 0.04 . 2 . . . . . . . . 5704 1 742 . 1 1 61 61 LEU HB2 H 1 1.816 0.04 . 2 . . . . . . . . 5704 1 743 . 1 1 61 61 LEU CG C 13 27.204 0.1 . 1 . . . . . . . . 5704 1 744 . 1 1 61 61 LEU HG H 1 1.383 0.04 . 1 . . . . . . . . 5704 1 745 . 1 1 61 61 LEU CD1 C 13 25.079 0.1 . 2 . . . . . . . . 5704 1 746 . 1 1 61 61 LEU HD11 H 1 0.943 0.04 . 2 . . . . . . . . 5704 1 747 . 1 1 61 61 LEU HD12 H 1 0.943 0.04 . 2 . . . . . . . . 5704 1 748 . 1 1 61 61 LEU HD13 H 1 0.943 0.04 . 2 . . . . . . . . 5704 1 749 . 1 1 61 61 LEU CD2 C 13 27.040 0.1 . 2 . . . . . . . . 5704 1 750 . 1 1 61 61 LEU HD21 H 1 0.834 0.04 . 2 . . . . . . . . 5704 1 751 . 1 1 61 61 LEU HD22 H 1 0.834 0.04 . 2 . . . . . . . . 5704 1 752 . 1 1 61 61 LEU HD23 H 1 0.834 0.04 . 2 . . . . . . . . 5704 1 753 . 1 1 61 61 LEU C C 13 170.992 0.1 . 1 . . . . . . . . 5704 1 754 . 1 1 62 62 TYR N N 15 125.157 0.05 . 1 . . . . . . . . 5704 1 755 . 1 1 62 62 TYR H H 1 8.735 0.04 . 1 . . . . . . . . 5704 1 756 . 1 1 62 62 TYR CA C 13 56.923 0.1 . 1 . . . . . . . . 5704 1 757 . 1 1 62 62 TYR HA H 1 4.793 0.04 . 1 . . . . . . . . 5704 1 758 . 1 1 62 62 TYR CB C 13 38.491 0.1 . 1 . . . . . . . . 5704 1 759 . 1 1 62 62 TYR HB3 H 1 2.835 0.04 . 1 . . . . . . . . 5704 1 760 . 1 1 62 62 TYR HB2 H 1 3.079 0.04 . 1 . . . . . . . . 5704 1 761 . 1 1 62 62 TYR CD1 C 13 133.274 0.1 . 3 . . . . . . . . 5704 1 762 . 1 1 62 62 TYR HD1 H 1 7.062 0.04 . 3 . . . . . . . . 5704 1 763 . 1 1 62 62 TYR CE1 C 13 118.379 0.1 . 3 . . . . . . . . 5704 1 764 . 1 1 62 62 TYR HE1 H 1 6.778 0.04 . 3 . . . . . . . . 5704 1 765 . 1 1 62 62 TYR C C 13 172.467 0.1 . 1 . . . . . . . . 5704 1 766 . 1 1 63 63 LEU N N 15 124.506 0.05 . 1 . . . . . . . . 5704 1 767 . 1 1 63 63 LEU H H 1 8.907 0.04 . 1 . . . . . . . . 5704 1 768 . 1 1 63 63 LEU CA C 13 53.443 0.1 . 1 . . . . . . . . 5704 1 769 . 1 1 63 63 LEU HA H 1 5.098 0.04 . 1 . . . . . . . . 5704 1 770 . 1 1 63 63 LEU CB C 13 45.147 0.1 . 1 . . . . . . . . 5704 1 771 . 1 1 63 63 LEU HB3 H 1 1.672 0.04 . 1 . . . . . . . . 5704 1 772 . 1 1 63 63 LEU HB2 H 1 1.834 0.04 . 1 . . . . . . . . 5704 1 773 . 1 1 63 63 LEU CG C 13 27.709 0.1 . 1 . . . . . . . . 5704 1 774 . 1 1 63 63 LEU HG H 1 1.517 0.04 . 1 . . . . . . . . 5704 1 775 . 1 1 63 63 LEU CD1 C 13 24.370 0.1 . 2 . . . . . . . . 5704 1 776 . 1 1 63 63 LEU HD11 H 1 0.852 0.04 . 2 . . . . . . . . 5704 1 777 . 1 1 63 63 LEU HD12 H 1 0.852 0.04 . 2 . . . . . . . . 5704 1 778 . 1 1 63 63 LEU HD13 H 1 0.852 0.04 . 2 . . . . . . . . 5704 1 779 . 1 1 63 63 LEU CD2 C 13 26.270 0.1 . 2 . . . . . . . . 5704 1 780 . 1 1 63 63 LEU HD21 H 1 0.820 0.04 . 2 . . . . . . . . 5704 1 781 . 1 1 63 63 LEU HD22 H 1 0.820 0.04 . 2 . . . . . . . . 5704 1 782 . 1 1 63 63 LEU HD23 H 1 0.820 0.04 . 2 . . . . . . . . 5704 1 783 . 1 1 63 63 LEU C C 13 174.566 0.1 . 1 . . . . . . . . 5704 1 784 . 1 1 64 64 ASP N N 15 120.847 0.05 . 1 . . . . . . . . 5704 1 785 . 1 1 64 64 ASP H H 1 8.703 0.04 . 1 . . . . . . . . 5704 1 786 . 1 1 64 64 ASP CA C 13 54.967 0.1 . 1 . . . . . . . . 5704 1 787 . 1 1 64 64 ASP HA H 1 4.321 0.04 . 1 . . . . . . . . 5704 1 788 . 1 1 64 64 ASP CB C 13 43.641 0.1 . 1 . . . . . . . . 5704 1 789 . 1 1 64 64 ASP HB3 H 1 2.456 0.04 . 2 . . . . . . . . 5704 1 790 . 1 1 64 64 ASP HB2 H 1 2.572 0.04 . 2 . . . . . . . . 5704 1 791 . 1 1 64 64 ASP C C 13 174.807 0.1 . 1 . . . . . . . . 5704 1 792 . 1 1 65 65 GLU N N 15 124.355 0.05 . 1 . . . . . . . . 5704 1 793 . 1 1 65 65 GLU H H 1 8.768 0.04 . 1 . . . . . . . . 5704 1 794 . 1 1 65 65 GLU CA C 13 59.309 0.1 . 1 . . . . . . . . 5704 1 795 . 1 1 65 65 GLU HA H 1 4.144 0.04 . 1 . . . . . . . . 5704 1 796 . 1 1 65 65 GLU CB C 13 29.905 0.1 . 1 . . . . . . . . 5704 1 797 . 1 1 65 65 GLU HB3 H 1 2.065 0.04 . 2 . . . . . . . . 5704 1 798 . 1 1 65 65 GLU HB2 H 1 2.108 0.04 . 2 . . . . . . . . 5704 1 799 . 1 1 65 65 GLU CG C 13 36.389 0.1 . 1 . . . . . . . . 5704 1 800 . 1 1 65 65 GLU HG2 H 1 2.360 0.04 . 2 . . . . . . . . 5704 1 801 . 1 1 65 65 GLU C C 13 174.433 0.1 . 1 . . . . . . . . 5704 1 802 . 1 1 66 66 LEU N N 15 116.897 0.05 . 1 . . . . . . . . 5704 1 803 . 1 1 66 66 LEU H H 1 8.547 0.04 . 1 . . . . . . . . 5704 1 804 . 1 1 66 66 LEU CA C 13 54.716 0.1 . 1 . . . . . . . . 5704 1 805 . 1 1 66 66 LEU HA H 1 4.415 0.04 . 1 . . . . . . . . 5704 1 806 . 1 1 66 66 LEU CB C 13 45.857 0.1 . 1 . . . . . . . . 5704 1 807 . 1 1 66 66 LEU HB3 H 1 1.651 0.04 . 2 . . . . . . . . 5704 1 808 . 1 1 66 66 LEU HB2 H 1 1.676 0.04 . 2 . . . . . . . . 5704 1 809 . 1 1 66 66 LEU CG C 13 27.317 0.1 . 1 . . . . . . . . 5704 1 810 . 1 1 66 66 LEU HG H 1 1.647 0.04 . 1 . . . . . . . . 5704 1 811 . 1 1 66 66 LEU CD1 C 13 24.111 0.1 . 2 . . . . . . . . 5704 1 812 . 1 1 66 66 LEU HD11 H 1 0.876 0.04 . 2 . . . . . . . . 5704 1 813 . 1 1 66 66 LEU HD12 H 1 0.876 0.04 . 2 . . . . . . . . 5704 1 814 . 1 1 66 66 LEU HD13 H 1 0.876 0.04 . 2 . . . . . . . . 5704 1 815 . 1 1 66 66 LEU CD2 C 13 23.005 0.1 . 2 . . . . . . . . 5704 1 816 . 1 1 66 66 LEU HD21 H 1 0.856 0.04 . 2 . . . . . . . . 5704 1 817 . 1 1 66 66 LEU HD22 H 1 0.856 0.04 . 2 . . . . . . . . 5704 1 818 . 1 1 66 66 LEU HD23 H 1 0.856 0.04 . 2 . . . . . . . . 5704 1 819 . 1 1 66 66 LEU C C 13 175.274 0.1 . 1 . . . . . . . . 5704 1 820 . 1 1 67 67 SER N N 15 112.987 0.05 . 1 . . . . . . . . 5704 1 821 . 1 1 67 67 SER H H 1 7.722 0.04 . 1 . . . . . . . . 5704 1 822 . 1 1 67 67 SER CA C 13 59.325 0.1 . 1 . . . . . . . . 5704 1 823 . 1 1 67 67 SER HA H 1 4.225 0.04 . 1 . . . . . . . . 5704 1 824 . 1 1 67 67 SER CB C 13 64.872 0.1 . 1 . . . . . . . . 5704 1 825 . 1 1 67 67 SER HB2 H 1 3.988 0.04 . 2 . . . . . . . . 5704 1 826 . 1 1 67 67 SER C C 13 173.404 0.1 . 1 . . . . . . . . 5704 1 827 . 1 1 68 68 ASP N N 15 126.707 0.05 . 1 . . . . . . . . 5704 1 828 . 1 1 68 68 ASP H H 1 8.817 0.04 . 1 . . . . . . . . 5704 1 829 . 1 1 68 68 ASP CA C 13 53.685 0.1 . 1 . . . . . . . . 5704 1 830 . 1 1 68 68 ASP HA H 1 4.911 0.04 . 1 . . . . . . . . 5704 1 831 . 1 1 68 68 ASP CB C 13 41.429 0.1 . 1 . . . . . . . . 5704 1 832 . 1 1 68 68 ASP HB3 H 1 2.724 0.04 . 2 . . . . . . . . 5704 1 833 . 1 1 68 68 ASP HB2 H 1 2.789 0.04 . 2 . . . . . . . . 5704 1 834 . 1 1 68 68 ASP C C 13 173.457 0.1 . 1 . . . . . . . . 5704 1 835 . 1 1 69 69 ALA N N 15 123.255 0.05 . 1 . . . . . . . . 5704 1 836 . 1 1 69 69 ALA H H 1 8.316 0.04 . 1 . . . . . . . . 5704 1 837 . 1 1 69 69 ALA CA C 13 52.434 0.1 . 1 . . . . . . . . 5704 1 838 . 1 1 69 69 ALA HA H 1 4.193 0.04 . 1 . . . . . . . . 5704 1 839 . 1 1 69 69 ALA CB C 13 19.602 0.1 . 1 . . . . . . . . 5704 1 840 . 1 1 69 69 ALA HB1 H 1 1.344 0.04 . 1 . . . . . . . . 5704 1 841 . 1 1 69 69 ALA HB2 H 1 1.344 0.04 . 1 . . . . . . . . 5704 1 842 . 1 1 69 69 ALA HB3 H 1 1.344 0.04 . 1 . . . . . . . . 5704 1 843 . 1 1 69 69 ALA C C 13 173.299 0.1 . 1 . . . . . . . . 5704 1 844 . 1 1 70 70 ASP N N 15 120.295 0.05 . 1 . . . . . . . . 5704 1 845 . 1 1 70 70 ASP H H 1 8.292 0.04 . 1 . . . . . . . . 5704 1 846 . 1 1 70 70 ASP CA C 13 51.173 0.1 . 1 . . . . . . . . 5704 1 847 . 1 1 70 70 ASP HA H 1 4.874 0.04 . 1 . . . . . . . . 5704 1 848 . 1 1 70 70 ASP CB C 13 42.614 0.1 . 1 . . . . . . . . 5704 1 849 . 1 1 70 70 ASP HB3 H 1 2.687 0.04 . 1 . . . . . . . . 5704 1 850 . 1 1 70 70 ASP HB2 H 1 2.884 0.04 . 1 . . . . . . . . 5704 1 851 . 1 1 70 70 ASP C C 13 173.299 0.1 . 1 . . . . . . . . 5704 1 852 . 1 1 71 71 PRO CA C 13 64.721 0.1 . 1 . . . . . . . . 5704 1 853 . 1 1 71 71 PRO HA H 1 4.274 0.04 . 1 . . . . . . . . 5704 1 854 . 1 1 71 71 PRO CB C 13 31.992 0.1 . 1 . . . . . . . . 5704 1 855 . 1 1 71 71 PRO HB3 H 1 2.082 0.04 . 2 . . . . . . . . 5704 1 856 . 1 1 71 71 PRO HB2 H 1 2.378 0.04 . 2 . . . . . . . . 5704 1 857 . 1 1 71 71 PRO CG C 13 27.585 0.1 . 1 . . . . . . . . 5704 1 858 . 1 1 71 71 PRO HG3 H 1 2.050 0.04 . 2 . . . . . . . . 5704 1 859 . 1 1 71 71 PRO HG2 H 1 2.096 0.04 . 2 . . . . . . . . 5704 1 860 . 1 1 71 71 PRO CD C 13 51.187 0.1 . 1 . . . . . . . . 5704 1 861 . 1 1 71 71 PRO HD3 H 1 3.974 0.04 . 2 . . . . . . . . 5704 1 862 . 1 1 71 71 PRO HD2 H 1 4.091 0.04 . 2 . . . . . . . . 5704 1 863 . 1 1 71 71 PRO C C 13 175.816 0.1 . 1 . . . . . . . . 5704 1 864 . 1 1 72 72 GLY N N 15 106.749 0.05 . 1 . . . . . . . . 5704 1 865 . 1 1 72 72 GLY H H 1 8.904 0.04 . 1 . . . . . . . . 5704 1 866 . 1 1 72 72 GLY CA C 13 46.407 0.1 . 1 . . . . . . . . 5704 1 867 . 1 1 72 72 GLY HA3 H 1 3.888 0.04 . 2 . . . . . . . . 5704 1 868 . 1 1 72 72 GLY HA2 H 1 4.194 0.04 . 2 . . . . . . . . 5704 1 869 . 1 1 72 72 GLY C C 13 173.264 0.1 . 1 . . . . . . . . 5704 1 870 . 1 1 73 73 ILE N N 15 120.646 0.05 . 1 . . . . . . . . 5704 1 871 . 1 1 73 73 ILE H H 1 7.947 0.04 . 1 . . . . . . . . 5704 1 872 . 1 1 73 73 ILE CA C 13 64.032 0.1 . 1 . . . . . . . . 5704 1 873 . 1 1 73 73 ILE HA H 1 4.158 0.04 . 1 . . . . . . . . 5704 1 874 . 1 1 73 73 ILE CB C 13 38.435 0.1 . 1 . . . . . . . . 5704 1 875 . 1 1 73 73 ILE HB H 1 2.018 0.04 . 1 . . . . . . . . 5704 1 876 . 1 1 73 73 ILE CG1 C 13 29.236 0.1 . 1 . . . . . . . . 5704 1 877 . 1 1 73 73 ILE HG13 H 1 1.398 0.04 . 2 . . . . . . . . 5704 1 878 . 1 1 73 73 ILE HG12 H 1 1.727 0.04 . 2 . . . . . . . . 5704 1 879 . 1 1 73 73 ILE CD1 C 13 15.338 0.1 . 1 . . . . . . . . 5704 1 880 . 1 1 73 73 ILE HD11 H 1 0.988 0.04 . 1 . . . . . . . . 5704 1 881 . 1 1 73 73 ILE HD12 H 1 0.988 0.04 . 1 . . . . . . . . 5704 1 882 . 1 1 73 73 ILE HD13 H 1 0.988 0.04 . 1 . . . . . . . . 5704 1 883 . 1 1 73 73 ILE CG2 C 13 18.222 0.1 . 1 . . . . . . . . 5704 1 884 . 1 1 73 73 ILE HG21 H 1 0.997 0.04 . 1 . . . . . . . . 5704 1 885 . 1 1 73 73 ILE HG22 H 1 0.997 0.04 . 1 . . . . . . . . 5704 1 886 . 1 1 73 73 ILE HG23 H 1 0.997 0.04 . 1 . . . . . . . . 5704 1 887 . 1 1 73 73 ILE C C 13 174.323 0.1 . 1 . . . . . . . . 5704 1 888 . 1 1 74 74 VAL N N 15 117.657 0.05 . 1 . . . . . . . . 5704 1 889 . 1 1 74 74 VAL H H 1 7.489 0.04 . 1 . . . . . . . . 5704 1 890 . 1 1 74 74 VAL CA C 13 65.829 0.1 . 1 . . . . . . . . 5704 1 891 . 1 1 74 74 VAL HA H 1 3.615 0.04 . 1 . . . . . . . . 5704 1 892 . 1 1 74 74 VAL CB C 13 31.694 0.1 . 1 . . . . . . . . 5704 1 893 . 1 1 74 74 VAL HB H 1 2.029 0.04 . 1 . . . . . . . . 5704 1 894 . 1 1 74 74 VAL CG2 C 13 23.012 0.1 . 2 . . . . . . . . 5704 1 895 . 1 1 74 74 VAL HG21 H 1 0.951 0.04 . 2 . . . . . . . . 5704 1 896 . 1 1 74 74 VAL HG22 H 1 0.951 0.04 . 2 . . . . . . . . 5704 1 897 . 1 1 74 74 VAL HG23 H 1 0.951 0.04 . 2 . . . . . . . . 5704 1 898 . 1 1 74 74 VAL CG1 C 13 21.656 0.1 . 2 . . . . . . . . 5704 1 899 . 1 1 74 74 VAL HG11 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 900 . 1 1 74 74 VAL HG12 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 901 . 1 1 74 74 VAL HG13 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 902 . 1 1 74 74 VAL C C 13 173.342 0.1 . 1 . . . . . . . . 5704 1 903 . 1 1 75 75 ASP N N 15 119.990 0.05 . 1 . . . . . . . . 5704 1 904 . 1 1 75 75 ASP H H 1 7.395 0.04 . 1 . . . . . . . . 5704 1 905 . 1 1 75 75 ASP CA C 13 57.502 0.1 . 1 . . . . . . . . 5704 1 906 . 1 1 75 75 ASP HA H 1 4.408 0.04 . 1 . . . . . . . . 5704 1 907 . 1 1 75 75 ASP CB C 13 40.389 0.1 . 1 . . . . . . . . 5704 1 908 . 1 1 75 75 ASP HB2 H 1 2.757 0.04 . 2 . . . . . . . . 5704 1 909 . 1 1 75 75 ASP C C 13 176.657 0.1 . 1 . . . . . . . . 5704 1 910 . 1 1 76 76 GLU N N 15 118.814 0.05 . 1 . . . . . . . . 5704 1 911 . 1 1 76 76 GLU H H 1 7.366 0.04 . 1 . . . . . . . . 5704 1 912 . 1 1 76 76 GLU CA C 13 59.041 0.1 . 1 . . . . . . . . 5704 1 913 . 1 1 76 76 GLU HA H 1 4.001 0.04 . 1 . . . . . . . . 5704 1 914 . 1 1 76 76 GLU CB C 13 30.097 0.1 . 1 . . . . . . . . 5704 1 915 . 1 1 76 76 GLU HB3 H 1 2.194 0.04 . 2 . . . . . . . . 5704 1 916 . 1 1 76 76 GLU HB2 H 1 2.199 0.04 . 2 . . . . . . . . 5704 1 917 . 1 1 76 76 GLU CG C 13 36.904 0.1 . 1 . . . . . . . . 5704 1 918 . 1 1 76 76 GLU HG3 H 1 2.286 0.04 . 2 . . . . . . . . 5704 1 919 . 1 1 76 76 GLU HG2 H 1 2.433 0.04 . 2 . . . . . . . . 5704 1 920 . 1 1 76 76 GLU C C 13 176.090 0.1 . 1 . . . . . . . . 5704 1 921 . 1 1 77 77 ALA N N 15 122.800 0.05 . 1 . . . . . . . . 5704 1 922 . 1 1 77 77 ALA H H 1 8.043 0.04 . 1 . . . . . . . . 5704 1 923 . 1 1 77 77 ALA CA C 13 54.225 0.1 . 1 . . . . . . . . 5704 1 924 . 1 1 77 77 ALA HA H 1 2.493 0.04 . 1 . . . . . . . . 5704 1 925 . 1 1 77 77 ALA CB C 13 19.856 0.1 . 1 . . . . . . . . 5704 1 926 . 1 1 77 77 ALA HB1 H 1 1.405 0.04 . 1 . . . . . . . . 5704 1 927 . 1 1 77 77 ALA HB2 H 1 1.405 0.04 . 1 . . . . . . . . 5704 1 928 . 1 1 77 77 ALA HB3 H 1 1.405 0.04 . 1 . . . . . . . . 5704 1 929 . 1 1 77 77 ALA C C 13 176.505 0.1 . 1 . . . . . . . . 5704 1 930 . 1 1 78 78 VAL N N 15 118.307 0.05 . 1 . . . . . . . . 5704 1 931 . 1 1 78 78 VAL H H 1 7.991 0.04 . 1 . . . . . . . . 5704 1 932 . 1 1 78 78 VAL CA C 13 67.494 0.1 . 1 . . . . . . . . 5704 1 933 . 1 1 78 78 VAL HA H 1 3.210 0.04 . 1 . . . . . . . . 5704 1 934 . 1 1 78 78 VAL CB C 13 32.013 0.1 . 1 . . . . . . . . 5704 1 935 . 1 1 78 78 VAL HB H 1 2.167 0.04 . 1 . . . . . . . . 5704 1 936 . 1 1 78 78 VAL CG2 C 13 23.558 0.1 . 2 . . . . . . . . 5704 1 937 . 1 1 78 78 VAL HG21 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 938 . 1 1 78 78 VAL HG22 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 939 . 1 1 78 78 VAL HG23 H 1 0.954 0.04 . 2 . . . . . . . . 5704 1 940 . 1 1 78 78 VAL CG1 C 13 22.198 0.1 . 2 . . . . . . . . 5704 1 941 . 1 1 78 78 VAL HG11 H 1 0.971 0.04 . 2 . . . . . . . . 5704 1 942 . 1 1 78 78 VAL HG12 H 1 0.971 0.04 . 2 . . . . . . . . 5704 1 943 . 1 1 78 78 VAL HG13 H 1 0.971 0.04 . 2 . . . . . . . . 5704 1 944 . 1 1 78 78 VAL C C 13 174.678 0.1 . 1 . . . . . . . . 5704 1 945 . 1 1 79 79 ASP N N 15 117.974 0.05 . 1 . . . . . . . . 5704 1 946 . 1 1 79 79 ASP H H 1 7.669 0.04 . 1 . . . . . . . . 5704 1 947 . 1 1 79 79 ASP CA C 13 58.083 0.1 . 1 . . . . . . . . 5704 1 948 . 1 1 79 79 ASP HA H 1 4.560 0.04 . 1 . . . . . . . . 5704 1 949 . 1 1 79 79 ASP CB C 13 41.451 0.1 . 1 . . . . . . . . 5704 1 950 . 1 1 79 79 ASP HB3 H 1 2.625 0.04 . 2 . . . . . . . . 5704 1 951 . 1 1 79 79 ASP HB2 H 1 2.746 0.04 . 2 . . . . . . . . 5704 1 952 . 1 1 79 79 ASP C C 13 176.439 0.1 . 1 . . . . . . . . 5704 1 953 . 1 1 80 80 ALA N N 15 119.815 0.05 . 1 . . . . . . . . 5704 1 954 . 1 1 80 80 ALA H H 1 7.961 0.04 . 1 . . . . . . . . 5704 1 955 . 1 1 80 80 ALA CA C 13 55.143 0.1 . 1 . . . . . . . . 5704 1 956 . 1 1 80 80 ALA HA H 1 3.982 0.04 . 1 . . . . . . . . 5704 1 957 . 1 1 80 80 ALA CB C 13 18.309 0.1 . 1 . . . . . . . . 5704 1 958 . 1 1 80 80 ALA HB1 H 1 1.238 0.04 . 1 . . . . . . . . 5704 1 959 . 1 1 80 80 ALA HB2 H 1 1.238 0.04 . 1 . . . . . . . . 5704 1 960 . 1 1 80 80 ALA HB3 H 1 1.238 0.04 . 1 . . . . . . . . 5704 1 961 . 1 1 80 80 ALA C C 13 177.796 0.1 . 1 . . . . . . . . 5704 1 962 . 1 1 81 81 ALA N N 15 122.473 0.05 . 1 . . . . . . . . 5704 1 963 . 1 1 81 81 ALA H H 1 8.034 0.04 . 1 . . . . . . . . 5704 1 964 . 1 1 81 81 ALA CA C 13 55.119 0.1 . 1 . . . . . . . . 5704 1 965 . 1 1 81 81 ALA HA H 1 3.907 0.04 . 1 . . . . . . . . 5704 1 966 . 1 1 81 81 ALA CB C 13 18.044 0.1 . 1 . . . . . . . . 5704 1 967 . 1 1 81 81 ALA HB1 H 1 1.283 0.04 . 1 . . . . . . . . 5704 1 968 . 1 1 81 81 ALA HB2 H 1 1.283 0.04 . 1 . . . . . . . . 5704 1 969 . 1 1 81 81 ALA HB3 H 1 1.283 0.04 . 1 . . . . . . . . 5704 1 970 . 1 1 81 81 ALA C C 13 176.861 0.1 . 1 . . . . . . . . 5704 1 971 . 1 1 82 82 TYR N N 15 115.649 0.05 . 1 . . . . . . . . 5704 1 972 . 1 1 82 82 TYR H H 1 8.163 0.04 . 1 . . . . . . . . 5704 1 973 . 1 1 82 82 TYR CA C 13 63.366 0.1 . 1 . . . . . . . . 5704 1 974 . 1 1 82 82 TYR HA H 1 4.195 0.04 . 1 . . . . . . . . 5704 1 975 . 1 1 82 82 TYR CB C 13 38.140 0.1 . 1 . . . . . . . . 5704 1 976 . 1 1 82 82 TYR HB3 H 1 3.064 0.04 . 2 . . . . . . . . 5704 1 977 . 1 1 82 82 TYR HB2 H 1 3.138 0.04 . 2 . . . . . . . . 5704 1 978 . 1 1 82 82 TYR CD1 C 13 133.304 0.1 . 3 . . . . . . . . 5704 1 979 . 1 1 82 82 TYR HD1 H 1 7.250 0.04 . 3 . . . . . . . . 5704 1 980 . 1 1 82 82 TYR CE1 C 13 118.370 0.1 . 3 . . . . . . . . 5704 1 981 . 1 1 82 82 TYR HE1 H 1 6.758 0.04 . 3 . . . . . . . . 5704 1 982 . 1 1 82 82 TYR CZ C 13 157.091 0.1 . 1 . . . . . . . . 5704 1 983 . 1 1 82 82 TYR C C 13 177.266 0.1 . 1 . . . . . . . . 5704 1 984 . 1 1 83 83 ARG N N 15 118.151 0.05 . 1 . . . . . . . . 5704 1 985 . 1 1 83 83 ARG H H 1 8.089 0.04 . 1 . . . . . . . . 5704 1 986 . 1 1 83 83 ARG CA C 13 59.728 0.1 . 1 . . . . . . . . 5704 1 987 . 1 1 83 83 ARG HA H 1 4.287 0.04 . 1 . . . . . . . . 5704 1 988 . 1 1 83 83 ARG CB C 13 30.271 0.1 . 1 . . . . . . . . 5704 1 989 . 1 1 83 83 ARG HB3 H 1 2.006 0.04 . 2 . . . . . . . . 5704 1 990 . 1 1 83 83 ARG HB2 H 1 2.022 0.04 . 2 . . . . . . . . 5704 1 991 . 1 1 83 83 ARG CG C 13 28.211 0.1 . 1 . . . . . . . . 5704 1 992 . 1 1 83 83 ARG HG3 H 1 1.727 0.04 . 2 . . . . . . . . 5704 1 993 . 1 1 83 83 ARG HG2 H 1 1.890 0.04 . 2 . . . . . . . . 5704 1 994 . 1 1 83 83 ARG CD C 13 43.514 0.1 . 1 . . . . . . . . 5704 1 995 . 1 1 83 83 ARG HD3 H 1 3.258 0.04 . 2 . . . . . . . . 5704 1 996 . 1 1 83 83 ARG HD2 H 1 3.327 0.04 . 2 . . . . . . . . 5704 1 997 . 1 1 83 83 ARG NE N 15 83.988 0.05 . 1 . . . . . . . . 5704 1 998 . 1 1 83 83 ARG HE H 1 7.445 0.04 . 1 . . . . . . . . 5704 1 999 . 1 1 83 83 ARG CZ C 13 157.091 0.1 . 1 . . . . . . . . 5704 1 1000 . 1 1 83 83 ARG C C 13 177.293 0.1 . 1 . . . . . . . . 5704 1 1001 . 1 1 84 84 SER H H 1 8.547 0.04 . 1 . . . . . . . . 5704 1 1002 . 1 1 84 84 SER CA C 13 61.829 0.1 . 1 . . . . . . . . 5704 1 1003 . 1 1 84 84 SER HA H 1 4.515 0.04 . 1 . . . . . . . . 5704 1 1004 . 1 1 84 84 SER CB C 13 63.368 0.1 . 1 . . . . . . . . 5704 1 1005 . 1 1 84 84 SER HB3 H 1 1.854 0.04 . 2 . . . . . . . . 5704 1 1006 . 1 1 84 84 SER HB2 H 1 4.221 0.04 . 2 . . . . . . . . 5704 1 1007 . 1 1 84 84 SER C C 13 173.833 0.1 . 1 . . . . . . . . 5704 1 1008 . 1 1 85 85 LEU N N 15 122.307 0.05 . 1 . . . . . . . . 5704 1 1009 . 1 1 85 85 LEU H H 1 8.401 0.04 . 1 . . . . . . . . 5704 1 1010 . 1 1 85 85 LEU CA C 13 58.003 0.1 . 1 . . . . . . . . 5704 1 1011 . 1 1 85 85 LEU HA H 1 4.199 0.04 . 1 . . . . . . . . 5704 1 1012 . 1 1 85 85 LEU CB C 13 41.730 0.1 . 1 . . . . . . . . 5704 1 1013 . 1 1 85 85 LEU HB3 H 1 1.856 0.04 . 2 . . . . . . . . 5704 1 1014 . 1 1 85 85 LEU HB2 H 1 2.299 0.04 . 2 . . . . . . . . 5704 1 1015 . 1 1 85 85 LEU CG C 13 26.873 0.1 . 1 . . . . . . . . 5704 1 1016 . 1 1 85 85 LEU HG H 1 1.825 0.04 . 1 . . . . . . . . 5704 1 1017 . 1 1 85 85 LEU CD1 C 13 26.277 0.1 . 2 . . . . . . . . 5704 1 1018 . 1 1 85 85 LEU HD11 H 1 1.056 0.04 . 2 . . . . . . . . 5704 1 1019 . 1 1 85 85 LEU HD12 H 1 1.056 0.04 . 2 . . . . . . . . 5704 1 1020 . 1 1 85 85 LEU HD13 H 1 1.056 0.04 . 2 . . . . . . . . 5704 1 1021 . 1 1 85 85 LEU CD2 C 13 23.826 0.1 . 2 . . . . . . . . 5704 1 1022 . 1 1 85 85 LEU HD21 H 1 1.035 0.04 . 2 . . . . . . . . 5704 1 1023 . 1 1 85 85 LEU HD22 H 1 1.035 0.04 . 2 . . . . . . . . 5704 1 1024 . 1 1 85 85 LEU HD23 H 1 1.035 0.04 . 2 . . . . . . . . 5704 1 1025 . 1 1 85 85 LEU C C 13 174.493 0.1 . 1 . . . . . . . . 5704 1 1026 . 1 1 86 86 GLU N N 15 115.485 0.05 . 1 . . . . . . . . 5704 1 1027 . 1 1 86 86 GLU H H 1 7.597 0.04 . 1 . . . . . . . . 5704 1 1028 . 1 1 86 86 GLU CA C 13 60.144 0.1 . 1 . . . . . . . . 5704 1 1029 . 1 1 86 86 GLU HA H 1 4.053 0.04 . 1 . . . . . . . . 5704 1 1030 . 1 1 86 86 GLU CB C 13 29.461 0.1 . 1 . . . . . . . . 5704 1 1031 . 1 1 86 86 GLU HB2 H 1 2.214 0.04 . 2 . . . . . . . . 5704 1 1032 . 1 1 86 86 GLU CG C 13 36.152 0.1 . 1 . . . . . . . . 5704 1 1033 . 1 1 86 86 GLU HG2 H 1 2.416 0.04 . 2 . . . . . . . . 5704 1 1034 . 1 1 86 86 GLU C C 13 175.823 0.1 . 1 . . . . . . . . 5704 1 1035 . 1 1 87 87 SER N N 15 109.949 0.05 . 1 . . . . . . . . 5704 1 1036 . 1 1 87 87 SER H H 1 7.542 0.04 . 1 . . . . . . . . 5704 1 1037 . 1 1 87 87 SER CA C 13 60.621 0.1 . 1 . . . . . . . . 5704 1 1038 . 1 1 87 87 SER HA H 1 4.465 0.04 . 1 . . . . . . . . 5704 1 1039 . 1 1 87 87 SER CB C 13 63.116 0.1 . 1 . . . . . . . . 5704 1 1040 . 1 1 87 87 SER HB2 H 1 4.018 0.04 . 2 . . . . . . . . 5704 1 1041 . 1 1 87 87 SER C C 13 174.712 0.1 . 1 . . . . . . . . 5704 1 1042 . 1 1 88 88 PHE N N 15 124.506 0.05 . 1 . . . . . . . . 5704 1 1043 . 1 1 88 88 PHE H H 1 7.997 0.04 . 1 . . . . . . . . 5704 1 1044 . 1 1 88 88 PHE CA C 13 61.650 0.1 . 1 . . . . . . . . 5704 1 1045 . 1 1 88 88 PHE HA H 1 4.089 0.04 . 1 . . . . . . . . 5704 1 1046 . 1 1 88 88 PHE CB C 13 40.213 0.1 . 1 . . . . . . . . 5704 1 1047 . 1 1 88 88 PHE HB2 H 1 2.662 0.04 . 2 . . . . . . . . 5704 1 1048 . 1 1 88 88 PHE CD1 C 13 131.467 0.1 . 3 . . . . . . . . 5704 1 1049 . 1 1 88 88 PHE HD1 H 1 6.576 0.04 . 3 . . . . . . . . 5704 1 1050 . 1 1 88 88 PHE CE1 C 13 131.014 0.1 . 3 . . . . . . . . 5704 1 1051 . 1 1 88 88 PHE HE1 H 1 7.030 0.04 . 3 . . . . . . . . 5704 1 1052 . 1 1 88 88 PHE CZ C 13 129.289 0.1 . 1 . . . . . . . . 5704 1 1053 . 1 1 88 88 PHE HZ H 1 7.221 0.04 . 1 . . . . . . . . 5704 1 1054 . 1 1 88 88 PHE C C 13 175.977 0.1 . 1 . . . . . . . . 5704 1 1055 . 1 1 89 89 LEU N N 15 115.077 0.05 . 1 . . . . . . . . 5704 1 1056 . 1 1 89 89 LEU H H 1 8.491 0.04 . 1 . . . . . . . . 5704 1 1057 . 1 1 89 89 LEU CA C 13 56.871 0.1 . 1 . . . . . . . . 5704 1 1058 . 1 1 89 89 LEU HA H 1 4.093 0.04 . 1 . . . . . . . . 5704 1 1059 . 1 1 89 89 LEU CB C 13 41.365 0.1 . 1 . . . . . . . . 5704 1 1060 . 1 1 89 89 LEU HB3 H 1 1.515 0.04 . 2 . . . . . . . . 5704 1 1061 . 1 1 89 89 LEU HB2 H 1 1.774 0.04 . 2 . . . . . . . . 5704 1 1062 . 1 1 89 89 LEU CG C 13 26.845 0.1 . 1 . . . . . . . . 5704 1 1063 . 1 1 89 89 LEU HG H 1 2.020 0.04 . 1 . . . . . . . . 5704 1 1064 . 1 1 89 89 LEU CD1 C 13 26.200 0.1 . 2 . . . . . . . . 5704 1 1065 . 1 1 89 89 LEU HD11 H 1 0.881 0.04 . 2 . . . . . . . . 5704 1 1066 . 1 1 89 89 LEU HD12 H 1 0.881 0.04 . 2 . . . . . . . . 5704 1 1067 . 1 1 89 89 LEU HD13 H 1 0.881 0.04 . 2 . . . . . . . . 5704 1 1068 . 1 1 89 89 LEU CD2 C 13 22.287 0.1 . 2 . . . . . . . . 5704 1 1069 . 1 1 89 89 LEU HD21 H 1 0.680 0.04 . 2 . . . . . . . . 5704 1 1070 . 1 1 89 89 LEU HD22 H 1 0.680 0.04 . 2 . . . . . . . . 5704 1 1071 . 1 1 89 89 LEU HD23 H 1 0.680 0.04 . 2 . . . . . . . . 5704 1 1072 . 1 1 89 89 LEU C C 13 175.675 0.1 . 1 . . . . . . . . 5704 1 1073 . 1 1 90 90 ASP N N 15 119.255 0.05 . 1 . . . . . . . . 5704 1 1074 . 1 1 90 90 ASP H H 1 7.584 0.04 . 1 . . . . . . . . 5704 1 1075 . 1 1 90 90 ASP CA C 13 57.861 0.1 . 1 . . . . . . . . 5704 1 1076 . 1 1 90 90 ASP HA H 1 4.431 0.04 . 1 . . . . . . . . 5704 1 1077 . 1 1 90 90 ASP CB C 13 40.167 0.1 . 1 . . . . . . . . 5704 1 1078 . 1 1 90 90 ASP HB3 H 1 2.659 0.04 . 2 . . . . . . . . 5704 1 1079 . 1 1 90 90 ASP HB2 H 1 2.884 0.04 . 2 . . . . . . . . 5704 1 1080 . 1 1 90 90 ASP C C 13 176.045 0.1 . 1 . . . . . . . . 5704 1 1081 . 1 1 91 91 GLY N N 15 103.705 0.05 . 1 . . . . . . . . 5704 1 1082 . 1 1 91 91 GLY H H 1 7.636 0.04 . 1 . . . . . . . . 5704 1 1083 . 1 1 91 91 GLY CA C 13 45.800 0.1 . 1 . . . . . . . . 5704 1 1084 . 1 1 91 91 GLY HA3 H 1 3.471 0.04 . 2 . . . . . . . . 5704 1 1085 . 1 1 91 91 GLY HA2 H 1 3.931 0.04 . 2 . . . . . . . . 5704 1 1086 . 1 1 91 91 GLY C C 13 171.374 0.1 . 1 . . . . . . . . 5704 1 1087 . 1 1 92 92 PHE N N 15 117.752 0.05 . 1 . . . . . . . . 5704 1 1088 . 1 1 92 92 PHE H H 1 7.916 0.04 . 1 . . . . . . . . 5704 1 1089 . 1 1 92 92 PHE CA C 13 57.236 0.1 . 1 . . . . . . . . 5704 1 1090 . 1 1 92 92 PHE HA H 1 4.490 0.04 . 1 . . . . . . . . 5704 1 1091 . 1 1 92 92 PHE CB C 13 39.894 0.1 . 1 . . . . . . . . 5704 1 1092 . 1 1 92 92 PHE HB3 H 1 2.791 0.04 . 2 . . . . . . . . 5704 1 1093 . 1 1 92 92 PHE HB2 H 1 3.255 0.04 . 2 . . . . . . . . 5704 1 1094 . 1 1 92 92 PHE HD1 H 1 6.901 0.04 . 3 . . . . . . . . 5704 1 1095 . 1 1 92 92 PHE CE1 C 13 129.366 0.1 . 3 . . . . . . . . 5704 1 1096 . 1 1 92 92 PHE HE1 H 1 7.114 0.04 . 3 . . . . . . . . 5704 1 1097 . 1 1 92 92 PHE HZ H 1 6.885 0.04 . 1 . . . . . . . . 5704 1 1098 . 1 1 92 92 PHE C C 13 171.471 0.1 . 1 . . . . . . . . 5704 1 1099 . 1 1 93 93 ARG N N 15 118.530 0.05 . 1 . . . . . . . . 5704 1 1100 . 1 1 93 93 ARG H H 1 7.217 0.04 . 1 . . . . . . . . 5704 1 1101 . 1 1 93 93 ARG CA C 13 56.660 0.1 . 1 . . . . . . . . 5704 1 1102 . 1 1 93 93 ARG HA H 1 4.657 0.04 . 1 . . . . . . . . 5704 1 1103 . 1 1 93 93 ARG CB C 13 31.902 0.1 . 1 . . . . . . . . 5704 1 1104 . 1 1 93 93 ARG HB3 H 1 1.836 0.04 . 2 . . . . . . . . 5704 1 1105 . 1 1 93 93 ARG HB2 H 1 1.964 0.04 . 2 . . . . . . . . 5704 1 1106 . 1 1 93 93 ARG CG C 13 28.608 0.1 . 1 . . . . . . . . 5704 1 1107 . 1 1 93 93 ARG HG3 H 1 1.593 0.04 . 2 . . . . . . . . 5704 1 1108 . 1 1 93 93 ARG HG2 H 1 1.880 0.04 . 2 . . . . . . . . 5704 1 1109 . 1 1 93 93 ARG CD C 13 43.469 0.1 . 1 . . . . . . . . 5704 1 1110 . 1 1 93 93 ARG HD2 H 1 3.240 0.04 . 2 . . . . . . . . 5704 1 1111 . 1 1 93 93 ARG NE N 15 84.452 0.05 . 1 . . . . . . . . 5704 1 1112 . 1 1 93 93 ARG HE H 1 7.398 0.04 . 1 . . . . . . . . 5704 1 1113 . 1 1 93 93 ARG CZ C 13 156.841 0.1 . 1 . . . . . . . . 5704 1 1114 . 1 1 93 93 ARG C C 13 173.047 0.1 . 1 . . . . . . . . 5704 1 1115 . 1 1 94 94 GLU N N 15 124.829 0.05 . 1 . . . . . . . . 5704 1 1116 . 1 1 94 94 GLU H H 1 8.257 0.04 . 1 . . . . . . . . 5704 1 1117 . 1 1 94 94 GLU CA C 13 58.196 0.1 . 1 . . . . . . . . 5704 1 1118 . 1 1 94 94 GLU HA H 1 4.128 0.04 . 1 . . . . . . . . 5704 1 1119 . 1 1 94 94 GLU CB C 13 31.507 0.1 . 1 . . . . . . . . 5704 1 1120 . 1 1 94 94 GLU HB3 H 1 1.878 0.04 . 2 . . . . . . . . 5704 1 1121 . 1 1 94 94 GLU HB2 H 1 1.859 0.04 . 2 . . . . . . . . 5704 1 1122 . 1 1 94 94 GLU CG C 13 36.720 0.1 . 1 . . . . . . . . 5704 1 1123 . 1 1 94 94 GLU HG2 H 1 2.152 0.04 . 2 . . . . . . . . 5704 1 1124 . 1 1 94 94 GLU C C 13 173.047 0.1 . 1 . . . . . . . . 5704 1 stop_ save_