data_390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 390 _Entry.Title ; 1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Torbjorn Drakenberg . . . 390 2 Theo Hofmann . . . 390 3 Walter Chazin . J. . 390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 568 390 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 6 . . 2010-06-11 . revision BMRB 'Complete natural source information' 390 5 . . 2008-07-10 . revision BMRB 'Updating non-standard residue' 390 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 390 3 . . 1996-04-12 . revision BMRB 'Error corrected in abrreviations given to non-polymers' 390 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 390 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 390 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 390 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Drakenberg, Torbjorn, Hofmann, Theo, Chazin, Walter J., "1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold," Biochemistry 28, 5946-5954 (1989). ; _Citation.Title ; 1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 28 _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 5946 _Citation.Page_last 5954 _Citation.Year 1989 _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 Torbjorn Drakenberg . . . 390 1 2 Theo Hofmann . . . 390 1 3 Walter Chazin . J. . 390 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_calbindin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_calbindin _Assembly.Entry_ID 390 _Assembly.ID 1 _Assembly.Name calbindin _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 calbindin 1 $calbindin . . . . . . . . . 390 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID calbindin system 390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calbindin _Entity.Sf_category entity _Entity.Sf_framecode calbindin _Entity.Entry_ID 390 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calbindin _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 ; XAQKSPAELKSIFEKYAAKE GDPNQLSKEELKQLIQAEFP SLLKGPRTLDDLFQELDKNG DGEVSFEEFQVLVKKISQ ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-25 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 1CB1 . "Three-Dimensional Solution Structure Of Ca2+-Loaded Porcine Calbindin D9k Determined By Nuclear Magnetic Resonance Spectroscopy" . . . . . 98.72 78 100.00 100.00 1.06e-44 . . . . 390 1 2 no GB AAA81524 . "calbindin D-9k [Sus scrofa]" . . . . . 98.72 79 100.00 100.00 1.10e-44 . . . . 390 1 3 no REF NP_999305 . "protein S100-G [Sus scrofa]" . . . . . 98.72 79 100.00 100.00 1.10e-44 . . . . 390 1 4 no SP P02632 . "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " . . . . . 98.72 79 100.00 100.00 1.10e-44 . . . . 390 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calbindin common 390 1 D9k variant 390 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 . SAC . 390 1 2 . ALA . 390 1 3 . GLN . 390 1 4 . LYS . 390 1 5 . SER . 390 1 6 . PRO . 390 1 7 . ALA . 390 1 8 . GLU . 390 1 9 . LEU . 390 1 10 . LYS . 390 1 11 . SER . 390 1 12 . ILE . 390 1 13 . PHE . 390 1 14 . GLU . 390 1 15 . LYS . 390 1 16 . TYR . 390 1 17 . ALA . 390 1 18 . ALA . 390 1 19 . LYS . 390 1 20 . GLU . 390 1 21 . GLY . 390 1 22 . ASP . 390 1 23 . PRO . 390 1 24 . ASN . 390 1 25 . GLN . 390 1 26 . LEU . 390 1 27 . SER . 390 1 28 . LYS . 390 1 29 . GLU . 390 1 30 . GLU . 390 1 31 . LEU . 390 1 32 . LYS . 390 1 33 . GLN . 390 1 34 . LEU . 390 1 35 . ILE . 390 1 36 . GLN . 390 1 37 . ALA . 390 1 38 . GLU . 390 1 39 . PHE . 390 1 40 . PRO . 390 1 41 . SER . 390 1 42 . LEU . 390 1 43 . LEU . 390 1 44 . LYS . 390 1 45 . GLY . 390 1 46 . PRO . 390 1 47 . ARG . 390 1 48 . THR . 390 1 49 . LEU . 390 1 50 . ASP . 390 1 51 . ASP . 390 1 52 . LEU . 390 1 53 . PHE . 390 1 54 . GLN . 390 1 55 . GLU . 390 1 56 . LEU . 390 1 57 . ASP . 390 1 58 . LYS . 390 1 59 . ASN . 390 1 60 . GLY . 390 1 61 . ASP . 390 1 62 . GLY . 390 1 63 . GLU . 390 1 64 . VAL . 390 1 65 . SER . 390 1 66 . PHE . 390 1 67 . GLU . 390 1 68 . GLU . 390 1 69 . PHE . 390 1 70 . GLN . 390 1 71 . VAL . 390 1 72 . LEU . 390 1 73 . VAL . 390 1 74 . LYS . 390 1 75 . LYS . 390 1 76 . ILE . 390 1 77 . SER . 390 1 78 . GLN . 390 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 . SAC 1 1 390 1 . ALA 2 2 390 1 . GLN 3 3 390 1 . LYS 4 4 390 1 . SER 5 5 390 1 . PRO 6 6 390 1 . ALA 7 7 390 1 . GLU 8 8 390 1 . LEU 9 9 390 1 . LYS 10 10 390 1 . SER 11 11 390 1 . ILE 12 12 390 1 . PHE 13 13 390 1 . GLU 14 14 390 1 . LYS 15 15 390 1 . TYR 16 16 390 1 . ALA 17 17 390 1 . ALA 18 18 390 1 . LYS 19 19 390 1 . GLU 20 20 390 1 . GLY 21 21 390 1 . ASP 22 22 390 1 . PRO 23 23 390 1 . ASN 24 24 390 1 . GLN 25 25 390 1 . LEU 26 26 390 1 . SER 27 27 390 1 . LYS 28 28 390 1 . GLU 29 29 390 1 . GLU 30 30 390 1 . LEU 31 31 390 1 . LYS 32 32 390 1 . GLN 33 33 390 1 . LEU 34 34 390 1 . ILE 35 35 390 1 . GLN 36 36 390 1 . ALA 37 37 390 1 . GLU 38 38 390 1 . PHE 39 39 390 1 . PRO 40 40 390 1 . SER 41 41 390 1 . LEU 42 42 390 1 . LEU 43 43 390 1 . LYS 44 44 390 1 . GLY 45 45 390 1 . PRO 46 46 390 1 . ARG 47 47 390 1 . THR 48 48 390 1 . LEU 49 49 390 1 . ASP 50 50 390 1 . ASP 51 51 390 1 . LEU 52 52 390 1 . PHE 53 53 390 1 . GLN 54 54 390 1 . GLU 55 55 390 1 . LEU 56 56 390 1 . ASP 57 57 390 1 . LYS 58 58 390 1 . ASN 59 59 390 1 . GLY 60 60 390 1 . ASP 61 61 390 1 . GLY 62 62 390 1 . GLU 63 63 390 1 . VAL 64 64 390 1 . SER 65 65 390 1 . PHE 66 66 390 1 . GLU 67 67 390 1 . GLU 68 68 390 1 . PHE 69 69 390 1 . GLN 70 70 390 1 . VAL 71 71 390 1 . LEU 72 72 390 1 . VAL 73 73 390 1 . LYS 74 74 390 1 . LYS 75 75 390 1 . ILE 76 76 390 1 . SER 77 77 390 1 . GLN 78 78 390 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 390 _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 $calbindin . 9823 organism . 'Sus scrofo' pig . . Eukaryota Metazoa Sus scrofo generic . . . 'small intestine' . . . . . . . . . . . . . . . . 390 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 390 _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 $calbindin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 390 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SAC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SAC _Chem_comp.Entry_ID 390 _Chem_comp.ID SAC _Chem_comp.Provenance PDB _Chem_comp.Name N-ACETYL-SERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SAC _Chem_comp.PDB_code SAC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SAC _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EVU _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC(CO)C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 390 SAC CC(=O)N[C@@H](CO)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 390 SAC CC(=O)N[C@@H](CO)C(O)=O SMILES_CANONICAL CACTVS 3.341 390 SAC CC(=O)N[CH](CO)C(O)=O SMILES CACTVS 3.341 390 SAC InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 InChI InChI 1.03 390 SAC JJIHLJJYMXLCOY-BYPYZUCNSA-N InChIKey InChI 1.03 390 SAC O=C(O)C(NC(=O)C)CO SMILES ACDLabs 10.04 390 SAC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-acetamido-3-hydroxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 390 SAC N-acetyl-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 390 SAC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1A C1A C1A C1A . C . . N 0 . . . 1 no no . . . . 28.800 . -20.442 . 52.184 . 0.209 0.164 2.017 1 . 390 SAC C2A C2A C2A C2A . C . . N 0 . . . 1 no no . . . . 27.582 . -20.920 . 52.921 . 0.302 -0.529 3.351 2 . 390 SAC OAC OAC OAC OAC . O . . N 0 . . . 1 no no . . . . 29.486 . -19.404 . 52.332 . -0.139 1.324 1.960 3 . 390 SAC N N N N . N . . N 0 . . . 1 no no . . . . 29.134 . -21.312 . 51.223 . 0.515 -0.504 0.887 4 . 390 SAC CA CA CA CA . C . . S 0 . . . 1 no no . . . . 28.095 . -22.115 . 50.607 . 0.425 0.170 -0.409 5 . 390 SAC C C C C . C . . N 0 . . . 1 no no . . . . 28.033 . -23.481 . 51.295 . -0.959 -0.012 -0.975 6 . 390 SAC O O O O . O . . N 0 . . . 1 no no . . . . 28.600 . -23.731 . 52.381 . -1.434 0.834 -1.694 7 . 390 SAC OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 27.550 . -24.489 . 50.589 . -1.665 -1.115 -0.681 8 . 390 SAC CB CB CB CB . C . . N 0 . . . 1 no no . . . . 28.387 . -22.131 . 49.125 . 1.452 -0.432 -1.370 9 . 390 SAC OG OG OG OG . O . . N 0 . . . 1 no no . . . . 27.634 . -21.367 . 48.257 . 1.364 0.225 -2.635 10 . 390 SAC H2A1 H2A1 H2A1 1H2A . H . . N 0 . . . 0 no no . . . . 26.971 . -21.843 . 52.789 . 0.019 0.164 4.142 11 . 390 SAC H2A2 H2A2 H2A2 2H2A . H . . N 0 . . . 0 no no . . . . 27.880 . -20.924 . 53.995 . -0.370 -1.387 3.363 12 . 390 SAC H2A3 H2A3 H2A3 3H2A . H . . N 0 . . . 0 no no . . . . 26.852 . -20.080 . 52.843 . 1.325 -0.868 3.515 13 . 390 SAC H H H HN . H . . N 0 . . . 1 no no . . . . 30.122 . -21.360 . 50.974 . 0.794 -1.432 0.933 14 . 390 SAC HA HA HA HA . H . . N 0 . . . 1 no no . . . . 27.067 . -21.701 . 50.733 . 0.628 1.233 -0.281 15 . 390 SAC HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 27.511 . -25.336 . 51.016 . -2.553 -1.232 -1.044 16 . 390 SAC HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 29.461 . -21.872 . 48.977 . 2.453 -0.300 -0.960 17 . 390 SAC HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 28.359 . -23.189 . 48.774 . 1.249 -1.495 -1.498 18 . 390 SAC HG HG HG HOG . H . . N 0 . . . 1 no no . . . . 27.817 . -21.377 . 47.325 . 2.026 -0.183 -3.209 19 . 390 SAC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1A C2A no N 1 . 390 SAC 2 . DOUB C1A OAC no N 2 . 390 SAC 3 . SING C1A N no N 3 . 390 SAC 4 . SING C2A H2A1 no N 4 . 390 SAC 5 . SING C2A H2A2 no N 5 . 390 SAC 6 . SING C2A H2A3 no N 6 . 390 SAC 7 . SING N CA no N 7 . 390 SAC 8 . SING N H no N 8 . 390 SAC 9 . SING CA C no N 9 . 390 SAC 10 . SING CA CB no N 10 . 390 SAC 11 . SING CA HA no N 11 . 390 SAC 12 . DOUB C O no N 12 . 390 SAC 13 . SING C OXT no N 13 . 390 SAC 14 . SING OXT HXT no N 14 . 390 SAC 15 . SING CB OG no N 15 . 390 SAC 16 . SING CB HB2 no N 16 . 390 SAC 17 . SING CB HB3 no N 17 . 390 SAC 18 . SING OG HG no N 18 . 390 SAC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 390 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 390 _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 6 . n/a 390 1 temperature 300 . K 390 1 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 390 _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 390 _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' . . 390 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 390 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 390 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 390 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . H2O/HDO . . . . . ppm 4.75 . . . . . . 1 $entry_citation . . 1 $entry_citation 390 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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_one . 390 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 SAC H H 1 8.31 0.02 . 1 . . . . . . . . 390 1 2 . 1 1 1 1 SAC HA H 1 4.43 0.02 . 1 . . . . . . . . 390 1 3 . 1 1 1 1 SAC HB2 H 1 3.87 0.02 . 2 . . . . . . . . 390 1 4 . 1 1 1 1 SAC HB3 H 1 3.83 0.02 . 2 . . . . . . . . 390 1 5 . 1 1 2 2 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 390 1 6 . 1 1 2 2 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 390 1 7 . 1 1 2 2 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 390 1 8 . 1 1 2 2 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 390 1 9 . 1 1 2 2 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 390 1 10 . 1 1 3 3 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 390 1 11 . 1 1 3 3 GLN HA H 1 4.36 0.02 . 1 . . . . . . . . 390 1 12 . 1 1 3 3 GLN HB2 H 1 1.98 0.02 . 2 . . . . . . . . 390 1 13 . 1 1 3 3 GLN HB3 H 1 2.09 0.02 . 2 . . . . . . . . 390 1 14 . 1 1 3 3 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 390 1 15 . 1 1 3 3 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 390 1 16 . 1 1 4 4 LYS H H 1 8.5 0.02 . 1 . . . . . . . . 390 1 17 . 1 1 4 4 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 390 1 18 . 1 1 4 4 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 390 1 19 . 1 1 4 4 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 390 1 20 . 1 1 4 4 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 390 1 21 . 1 1 4 4 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 390 1 22 . 1 1 4 4 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 390 1 23 . 1 1 4 4 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 390 1 24 . 1 1 4 4 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 390 1 25 . 1 1 4 4 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 390 1 26 . 1 1 5 5 SER H H 1 9.09 0.02 . 1 . . . . . . . . 390 1 27 . 1 1 5 5 SER HA H 1 4.78 0.02 . 1 . . . . . . . . 390 1 28 . 1 1 5 5 SER HB2 H 1 4.39 0.02 . 2 . . . . . . . . 390 1 29 . 1 1 5 5 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 390 1 30 . 1 1 6 6 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 390 1 31 . 1 1 6 6 PRO HB2 H 1 1.99 0.02 . 2 . . . . . . . . 390 1 32 . 1 1 6 6 PRO HB3 H 1 2.49 0.02 . 2 . . . . . . . . 390 1 33 . 1 1 6 6 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 390 1 34 . 1 1 6 6 PRO HG3 H 1 2.24 0.02 . 2 . . . . . . . . 390 1 35 . 1 1 6 6 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 390 1 36 . 1 1 6 6 PRO HD3 H 1 3.98 0.02 . 2 . . . . . . . . 390 1 37 . 1 1 7 7 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 390 1 38 . 1 1 7 7 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 390 1 39 . 1 1 7 7 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 390 1 40 . 1 1 7 7 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 390 1 41 . 1 1 7 7 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 390 1 42 . 1 1 8 8 GLU H H 1 7.99 0.02 . 1 . . . . . . . . 390 1 43 . 1 1 8 8 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 390 1 44 . 1 1 8 8 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 390 1 45 . 1 1 8 8 GLU HB3 H 1 2.41 0.02 . 2 . . . . . . . . 390 1 46 . 1 1 8 8 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 390 1 47 . 1 1 8 8 GLU HG3 H 1 2.43 0.02 . 2 . . . . . . . . 390 1 48 . 1 1 9 9 LEU H H 1 8.59 0.02 . 1 . . . . . . . . 390 1 49 . 1 1 9 9 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 390 1 50 . 1 1 9 9 LEU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 390 1 51 . 1 1 9 9 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 390 1 52 . 1 1 9 9 LEU HG H 1 1.9 0.02 . 1 . . . . . . . . 390 1 53 . 1 1 9 9 LEU HD11 H 1 .98 0.02 . 2 . . . . . . . . 390 1 54 . 1 1 9 9 LEU HD12 H 1 .98 0.02 . 2 . . . . . . . . 390 1 55 . 1 1 9 9 LEU HD13 H 1 .98 0.02 . 2 . . . . . . . . 390 1 56 . 1 1 9 9 LEU HD21 H 1 1.05 0.02 . 2 . . . . . . . . 390 1 57 . 1 1 9 9 LEU HD22 H 1 1.05 0.02 . 2 . . . . . . . . 390 1 58 . 1 1 9 9 LEU HD23 H 1 1.05 0.02 . 2 . . . . . . . . 390 1 59 . 1 1 10 10 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 390 1 60 . 1 1 10 10 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . 390 1 61 . 1 1 10 10 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 390 1 62 . 1 1 10 10 LYS HB3 H 1 1.94 0.02 . 2 . . . . . . . . 390 1 63 . 1 1 10 10 LYS HG2 H 1 1.19 0.02 . 2 . . . . . . . . 390 1 64 . 1 1 10 10 LYS HG3 H 1 .8 0.02 . 2 . . . . . . . . 390 1 65 . 1 1 10 10 LYS HD2 H 1 1.29 0.02 . 2 . . . . . . . . 390 1 66 . 1 1 10 10 LYS HD3 H 1 1.34 0.02 . 2 . . . . . . . . 390 1 67 . 1 1 10 10 LYS HE2 H 1 2.57 0.02 . 2 . . . . . . . . 390 1 68 . 1 1 10 10 LYS HE3 H 1 2.63 0.02 . 2 . . . . . . . . 390 1 69 . 1 1 11 11 SER H H 1 7.85 0.02 . 1 . . . . . . . . 390 1 70 . 1 1 11 11 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 390 1 71 . 1 1 11 11 SER HB2 H 1 4.01 0.02 . 1 . . . . . . . . 390 1 72 . 1 1 11 11 SER HB3 H 1 4.01 0.02 . 1 . . . . . . . . 390 1 73 . 1 1 12 12 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 390 1 74 . 1 1 12 12 ILE HA H 1 3.83 0.02 . 1 . . . . . . . . 390 1 75 . 1 1 12 12 ILE HB H 1 2.17 0.02 . 1 . . . . . . . . 390 1 76 . 1 1 12 12 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 390 1 77 . 1 1 12 12 ILE HG13 H 1 2 0.02 . 2 . . . . . . . . 390 1 78 . 1 1 12 12 ILE HG21 H 1 1.14 0.02 . 1 . . . . . . . . 390 1 79 . 1 1 12 12 ILE HG22 H 1 1.14 0.02 . 1 . . . . . . . . 390 1 80 . 1 1 12 12 ILE HG23 H 1 1.14 0.02 . 1 . . . . . . . . 390 1 81 . 1 1 12 12 ILE HD11 H 1 .94 0.02 . 1 . . . . . . . . 390 1 82 . 1 1 12 12 ILE HD12 H 1 .94 0.02 . 1 . . . . . . . . 390 1 83 . 1 1 12 12 ILE HD13 H 1 .94 0.02 . 1 . . . . . . . . 390 1 84 . 1 1 13 13 PHE H H 1 8.41 0.02 . 1 . . . . . . . . 390 1 85 . 1 1 13 13 PHE HA H 1 3.54 0.02 . 1 . . . . . . . . 390 1 86 . 1 1 13 13 PHE HB2 H 1 2.71 0.02 . 2 . . . . . . . . 390 1 87 . 1 1 13 13 PHE HB3 H 1 3.33 0.02 . 2 . . . . . . . . 390 1 88 . 1 1 13 13 PHE HD1 H 1 6.35 0.02 . 1 . . . . . . . . 390 1 89 . 1 1 13 13 PHE HD2 H 1 6.35 0.02 . 1 . . . . . . . . 390 1 90 . 1 1 13 13 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . 390 1 91 . 1 1 13 13 PHE HE2 H 1 7.11 0.02 . 1 . . . . . . . . 390 1 92 . 1 1 13 13 PHE HZ H 1 7.615 0.02 . 1 . . . . . . . . 390 1 93 . 1 1 14 14 GLU H H 1 8.55 0.02 . 1 . . . . . . . . 390 1 94 . 1 1 14 14 GLU HA H 1 3.75 0.02 . 1 . . . . . . . . 390 1 95 . 1 1 14 14 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 390 1 96 . 1 1 14 14 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 390 1 97 . 1 1 14 14 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 390 1 98 . 1 1 14 14 GLU HG3 H 1 2.68 0.02 . 2 . . . . . . . . 390 1 99 . 1 1 15 15 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 390 1 100 . 1 1 15 15 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . 390 1 101 . 1 1 15 15 LYS HB2 H 1 1.8 0.02 . 2 . . . . . . . . 390 1 102 . 1 1 15 15 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 390 1 103 . 1 1 15 15 LYS HG2 H 1 1.1 0.02 . 2 . . . . . . . . 390 1 104 . 1 1 15 15 LYS HG3 H 1 .48 0.02 . 2 . . . . . . . . 390 1 105 . 1 1 15 15 LYS HD2 H 1 1.41 0.02 . 2 . . . . . . . . 390 1 106 . 1 1 15 15 LYS HD3 H 1 1.45 0.02 . 2 . . . . . . . . 390 1 107 . 1 1 15 15 LYS HE2 H 1 2.68 0.02 . 1 . . . . . . . . 390 1 108 . 1 1 15 15 LYS HE3 H 1 2.68 0.02 . 1 . . . . . . . . 390 1 109 . 1 1 16 16 TYR H H 1 7.22 0.02 . 1 . . . . . . . . 390 1 110 . 1 1 16 16 TYR HA H 1 3.98 0.02 . 1 . . . . . . . . 390 1 111 . 1 1 16 16 TYR HB2 H 1 2.42 0.02 . 2 . . . . . . . . 390 1 112 . 1 1 16 16 TYR HB3 H 1 2.8 0.02 . 2 . . . . . . . . 390 1 113 . 1 1 16 16 TYR HD1 H 1 7.39 0.02 . 1 . . . . . . . . 390 1 114 . 1 1 16 16 TYR HD2 H 1 7.39 0.02 . 1 . . . . . . . . 390 1 115 . 1 1 16 16 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 390 1 116 . 1 1 16 16 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 390 1 117 . 1 1 17 17 ALA H H 1 8.36 0.02 . 1 . . . . . . . . 390 1 118 . 1 1 17 17 ALA HA H 1 3.78 0.02 . 1 . . . . . . . . 390 1 119 . 1 1 17 17 ALA HB1 H 1 .42 0.02 . 1 . . . . . . . . 390 1 120 . 1 1 17 17 ALA HB2 H 1 .42 0.02 . 1 . . . . . . . . 390 1 121 . 1 1 17 17 ALA HB3 H 1 .42 0.02 . 1 . . . . . . . . 390 1 122 . 1 1 18 18 ALA H H 1 6.91 0.02 . 1 . . . . . . . . 390 1 123 . 1 1 18 18 ALA HA H 1 4.3 0.02 . 1 . . . . . . . . 390 1 124 . 1 1 18 18 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 390 1 125 . 1 1 18 18 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 390 1 126 . 1 1 18 18 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 390 1 127 . 1 1 19 19 LYS H H 1 7.17 0.02 . 1 . . . . . . . . 390 1 128 . 1 1 19 19 LYS HA H 1 3.85 0.02 . 1 . . . . . . . . 390 1 129 . 1 1 19 19 LYS HB2 H 1 1.9 0.02 . 2 . . . . . . . . 390 1 130 . 1 1 19 19 LYS HB3 H 1 2.17 0.02 . 2 . . . . . . . . 390 1 131 . 1 1 19 19 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 390 1 132 . 1 1 19 19 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 390 1 133 . 1 1 19 19 LYS HD2 H 1 1.76 0.02 . 2 . . . . . . . . 390 1 134 . 1 1 19 19 LYS HD3 H 1 1.71 0.02 . 2 . . . . . . . . 390 1 135 . 1 1 19 19 LYS HE2 H 1 2.75 0.02 . 2 . . . . . . . . 390 1 136 . 1 1 19 19 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 390 1 137 . 1 1 20 20 GLU H H 1 9.7 0.02 . 1 . . . . . . . . 390 1 138 . 1 1 20 20 GLU HA H 1 4.72 0.02 . 1 . . . . . . . . 390 1 139 . 1 1 20 20 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 390 1 140 . 1 1 20 20 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 390 1 141 . 1 1 20 20 GLU HG2 H 1 1.92 0.02 . 2 . . . . . . . . 390 1 142 . 1 1 20 20 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 390 1 143 . 1 1 21 21 GLY H H 1 9.01 0.02 . 1 . . . . . . . . 390 1 144 . 1 1 21 21 GLY HA2 H 1 3.64 0.02 . 2 . . . . . . . . 390 1 145 . 1 1 21 21 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 390 1 146 . 1 1 22 22 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 390 1 147 . 1 1 22 22 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 390 1 148 . 1 1 22 22 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 390 1 149 . 1 1 22 22 ASP HB3 H 1 2.86 0.02 . 2 . . . . . . . . 390 1 150 . 1 1 23 23 PRO HA H 1 4.8 0.02 . 1 . . . . . . . . 390 1 151 . 1 1 23 23 PRO HB2 H 1 2.02 0.02 . 2 . . . . . . . . 390 1 152 . 1 1 23 23 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 390 1 153 . 1 1 23 23 PRO HG2 H 1 1.87 0.02 . 2 . . . . . . . . 390 1 154 . 1 1 23 23 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 390 1 155 . 1 1 23 23 PRO HD2 H 1 3.98 0.02 . 1 . . . . . . . . 390 1 156 . 1 1 23 23 PRO HD3 H 1 3.98 0.02 . 1 . . . . . . . . 390 1 157 . 1 1 24 24 ASN H H 1 9.01 0.02 . 1 . . . . . . . . 390 1 158 . 1 1 24 24 ASN HA H 1 4.96 0.02 . 1 . . . . . . . . 390 1 159 . 1 1 24 24 ASN HB2 H 1 2.7 0.02 . 2 . . . . . . . . 390 1 160 . 1 1 24 24 ASN HB3 H 1 3.02 0.02 . 2 . . . . . . . . 390 1 161 . 1 1 24 24 ASN HD21 H 1 6.96 0.02 . 2 . . . . . . . . 390 1 162 . 1 1 24 24 ASN HD22 H 1 7.94 0.02 . 2 . . . . . . . . 390 1 163 . 1 1 25 25 GLN H H 1 7.23 0.02 . 1 . . . . . . . . 390 1 164 . 1 1 25 25 GLN HA H 1 5.11 0.02 . 1 . . . . . . . . 390 1 165 . 1 1 25 25 GLN HB2 H 1 1.83 0.02 . 2 . . . . . . . . 390 1 166 . 1 1 25 25 GLN HB3 H 1 2.01 0.02 . 2 . . . . . . . . 390 1 167 . 1 1 25 25 GLN HG2 H 1 2.11 0.02 . 2 . . . . . . . . 390 1 168 . 1 1 25 25 GLN HG3 H 1 2.26 0.02 . 2 . . . . . . . . 390 1 169 . 1 1 25 25 GLN HE21 H 1 6.58 0.02 . 2 . . . . . . . . 390 1 170 . 1 1 25 25 GLN HE22 H 1 7.46 0.02 . 2 . . . . . . . . 390 1 171 . 1 1 26 26 LEU H H 1 9.55 0.02 . 1 . . . . . . . . 390 1 172 . 1 1 26 26 LEU HA H 1 5.48 0.02 . 1 . . . . . . . . 390 1 173 . 1 1 26 26 LEU HB2 H 1 1.55 0.02 . 2 . . . . . . . . 390 1 174 . 1 1 26 26 LEU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 390 1 175 . 1 1 26 26 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 390 1 176 . 1 1 26 26 LEU HD11 H 1 .34 0.02 . 2 . . . . . . . . 390 1 177 . 1 1 26 26 LEU HD12 H 1 .34 0.02 . 2 . . . . . . . . 390 1 178 . 1 1 26 26 LEU HD13 H 1 .34 0.02 . 2 . . . . . . . . 390 1 179 . 1 1 26 26 LEU HD21 H 1 .73 0.02 . 2 . . . . . . . . 390 1 180 . 1 1 26 26 LEU HD22 H 1 .73 0.02 . 2 . . . . . . . . 390 1 181 . 1 1 26 26 LEU HD23 H 1 .73 0.02 . 2 . . . . . . . . 390 1 182 . 1 1 27 27 SER H H 1 10.09 0.02 . 1 . . . . . . . . 390 1 183 . 1 1 27 27 SER HA H 1 4.81 0.02 . 1 . . . . . . . . 390 1 184 . 1 1 27 27 SER HB2 H 1 4.18 0.02 . 2 . . . . . . . . 390 1 185 . 1 1 27 27 SER HB3 H 1 4.35 0.02 . 2 . . . . . . . . 390 1 186 . 1 1 28 28 LYS H H 1 8.71 0.02 . 1 . . . . . . . . 390 1 187 . 1 1 28 28 LYS HA H 1 3.45 0.02 . 1 . . . . . . . . 390 1 188 . 1 1 28 28 LYS HB2 H 1 .45 0.02 . 2 . . . . . . . . 390 1 189 . 1 1 28 28 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 390 1 190 . 1 1 28 28 LYS HG2 H 1 .65 0.02 . 2 . . . . . . . . 390 1 191 . 1 1 28 28 LYS HG3 H 1 .98 0.02 . 2 . . . . . . . . 390 1 192 . 1 1 28 28 LYS HD2 H 1 1.33 0.02 . 2 . . . . . . . . 390 1 193 . 1 1 28 28 LYS HD3 H 1 1.38 0.02 . 2 . . . . . . . . 390 1 194 . 1 1 28 28 LYS HE2 H 1 2.56 0.02 . 2 . . . . . . . . 390 1 195 . 1 1 28 28 LYS HE3 H 1 2.57 0.02 . 2 . . . . . . . . 390 1 196 . 1 1 29 29 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 390 1 197 . 1 1 29 29 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 390 1 198 . 1 1 29 29 GLU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 390 1 199 . 1 1 29 29 GLU HB3 H 1 2 0.02 . 2 . . . . . . . . 390 1 200 . 1 1 29 29 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 390 1 201 . 1 1 29 29 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 390 1 202 . 1 1 30 30 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 390 1 203 . 1 1 30 30 GLU HA H 1 3.9 0.02 . 1 . . . . . . . . 390 1 204 . 1 1 30 30 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 390 1 205 . 1 1 30 30 GLU HB3 H 1 2.34 0.02 . 2 . . . . . . . . 390 1 206 . 1 1 30 30 GLU HG2 H 1 1.89 0.02 . 2 . . . . . . . . 390 1 207 . 1 1 30 30 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 390 1 208 . 1 1 31 31 LEU H H 1 8.82 0.02 . 1 . . . . . . . . 390 1 209 . 1 1 31 31 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 390 1 210 . 1 1 31 31 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 390 1 211 . 1 1 31 31 LEU HB3 H 1 2.23 0.02 . 2 . . . . . . . . 390 1 212 . 1 1 31 31 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 390 1 213 . 1 1 31 31 LEU HD11 H 1 1.08 0.02 . 2 . . . . . . . . 390 1 214 . 1 1 31 31 LEU HD12 H 1 1.08 0.02 . 2 . . . . . . . . 390 1 215 . 1 1 31 31 LEU HD13 H 1 1.08 0.02 . 2 . . . . . . . . 390 1 216 . 1 1 31 31 LEU HD21 H 1 1.12 0.02 . 2 . . . . . . . . 390 1 217 . 1 1 31 31 LEU HD22 H 1 1.12 0.02 . 2 . . . . . . . . 390 1 218 . 1 1 31 31 LEU HD23 H 1 1.12 0.02 . 2 . . . . . . . . 390 1 219 . 1 1 32 32 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 390 1 220 . 1 1 32 32 LYS HA H 1 3.61 0.02 . 1 . . . . . . . . 390 1 221 . 1 1 32 32 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 390 1 222 . 1 1 32 32 LYS HB3 H 1 2.09 0.02 . 2 . . . . . . . . 390 1 223 . 1 1 32 32 LYS HG2 H 1 1.18 0.02 . 2 . . . . . . . . 390 1 224 . 1 1 32 32 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 390 1 225 . 1 1 32 32 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 390 1 226 . 1 1 32 32 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 390 1 227 . 1 1 32 32 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 390 1 228 . 1 1 32 32 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 390 1 229 . 1 1 33 33 GLN H H 1 7.79 0.02 . 1 . . . . . . . . 390 1 230 . 1 1 33 33 GLN HA H 1 3.87 0.02 . 1 . . . . . . . . 390 1 231 . 1 1 33 33 GLN HB2 H 1 2 0.02 . 2 . . . . . . . . 390 1 232 . 1 1 33 33 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 390 1 233 . 1 1 33 33 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 390 1 234 . 1 1 33 33 GLN HG3 H 1 2.69 0.02 . 2 . . . . . . . . 390 1 235 . 1 1 33 33 GLN HE21 H 1 6.79 0.02 . 2 . . . . . . . . 390 1 236 . 1 1 33 33 GLN HE22 H 1 7.69 0.02 . 2 . . . . . . . . 390 1 237 . 1 1 34 34 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 390 1 238 . 1 1 34 34 LEU HA H 1 2.33 0.02 . 1 . . . . . . . . 390 1 239 . 1 1 34 34 LEU HB2 H 1 1.18 0.02 . 2 . . . . . . . . 390 1 240 . 1 1 34 34 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 390 1 241 . 1 1 34 34 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 390 1 242 . 1 1 34 34 LEU HD11 H 1 .8 0.02 . 2 . . . . . . . . 390 1 243 . 1 1 34 34 LEU HD12 H 1 .8 0.02 . 2 . . . . . . . . 390 1 244 . 1 1 34 34 LEU HD13 H 1 .8 0.02 . 2 . . . . . . . . 390 1 245 . 1 1 34 34 LEU HD21 H 1 .92 0.02 . 2 . . . . . . . . 390 1 246 . 1 1 34 34 LEU HD22 H 1 .92 0.02 . 2 . . . . . . . . 390 1 247 . 1 1 34 34 LEU HD23 H 1 .92 0.02 . 2 . . . . . . . . 390 1 248 . 1 1 35 35 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 390 1 249 . 1 1 35 35 ILE HA H 1 3.46 0.02 . 1 . . . . . . . . 390 1 250 . 1 1 35 35 ILE HB H 1 1.9 0.02 . 1 . . . . . . . . 390 1 251 . 1 1 35 35 ILE HG12 H 1 1.22 0.02 . 2 . . . . . . . . 390 1 252 . 1 1 35 35 ILE HG13 H 1 1.77 0.02 . 2 . . . . . . . . 390 1 253 . 1 1 35 35 ILE HG21 H 1 .89 0.02 . 1 . . . . . . . . 390 1 254 . 1 1 35 35 ILE HG22 H 1 .89 0.02 . 1 . . . . . . . . 390 1 255 . 1 1 35 35 ILE HG23 H 1 .89 0.02 . 1 . . . . . . . . 390 1 256 . 1 1 35 35 ILE HD11 H 1 .75 0.02 . 1 . . . . . . . . 390 1 257 . 1 1 35 35 ILE HD12 H 1 .75 0.02 . 1 . . . . . . . . 390 1 258 . 1 1 35 35 ILE HD13 H 1 .75 0.02 . 1 . . . . . . . . 390 1 259 . 1 1 36 36 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 390 1 260 . 1 1 36 36 GLN HA H 1 3.78 0.02 . 1 . . . . . . . . 390 1 261 . 1 1 36 36 GLN HB2 H 1 1.95 0.02 . 2 . . . . . . . . 390 1 262 . 1 1 36 36 GLN HB3 H 1 2.1 0.02 . 2 . . . . . . . . 390 1 263 . 1 1 36 36 GLN HG2 H 1 2.32 0.02 . 2 . . . . . . . . 390 1 264 . 1 1 36 36 GLN HG3 H 1 2.53 0.02 . 2 . . . . . . . . 390 1 265 . 1 1 36 36 GLN HE21 H 1 6.8 0.02 . 2 . . . . . . . . 390 1 266 . 1 1 36 36 GLN HE22 H 1 7.17 0.02 . 2 . . . . . . . . 390 1 267 . 1 1 37 37 ALA H H 1 7.44 0.02 . 1 . . . . . . . . 390 1 268 . 1 1 37 37 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 390 1 269 . 1 1 37 37 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 390 1 270 . 1 1 37 37 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 390 1 271 . 1 1 37 37 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 390 1 272 . 1 1 38 38 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 390 1 273 . 1 1 38 38 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 390 1 274 . 1 1 38 38 GLU HB2 H 1 1.31 0.02 . 2 . . . . . . . . 390 1 275 . 1 1 38 38 GLU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 390 1 276 . 1 1 38 38 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 390 1 277 . 1 1 38 38 GLU HG3 H 1 2.48 0.02 . 2 . . . . . . . . 390 1 278 . 1 1 39 39 PHE H H 1 8.38 0.02 . 1 . . . . . . . . 390 1 279 . 1 1 39 39 PHE HA H 1 5.25 0.02 . 1 . . . . . . . . 390 1 280 . 1 1 39 39 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 390 1 281 . 1 1 39 39 PHE HB3 H 1 3.36 0.02 . 2 . . . . . . . . 390 1 282 . 1 1 39 39 PHE HD1 H 1 7.135 0.02 . 1 . . . . . . . . 390 1 283 . 1 1 39 39 PHE HD2 H 1 7.135 0.02 . 1 . . . . . . . . 390 1 284 . 1 1 39 39 PHE HE1 H 1 7.135 0.02 . 1 . . . . . . . . 390 1 285 . 1 1 39 39 PHE HE2 H 1 7.135 0.02 . 1 . . . . . . . . 390 1 286 . 1 1 39 39 PHE HZ H 1 6.98 0.02 . 1 . . . . . . . . 390 1 287 . 1 1 40 40 PRO HA H 1 4.12 0.02 . 1 . . . . . . . . 390 1 288 . 1 1 40 40 PRO HB2 H 1 1.23 0.02 . 2 . . . . . . . . 390 1 289 . 1 1 40 40 PRO HB3 H 1 2.45 0.02 . 2 . . . . . . . . 390 1 290 . 1 1 40 40 PRO HG2 H 1 1.9 0.02 . 2 . . . . . . . . 390 1 291 . 1 1 40 40 PRO HG3 H 1 1.95 0.02 . 2 . . . . . . . . 390 1 292 . 1 1 40 40 PRO HD2 H 1 3.13 0.02 . 2 . . . . . . . . 390 1 293 . 1 1 40 40 PRO HD3 H 1 3.51 0.02 . 2 . . . . . . . . 390 1 294 . 1 1 41 41 SER H H 1 8.4 0.02 . 1 . . . . . . . . 390 1 295 . 1 1 41 41 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 390 1 296 . 1 1 41 41 SER HB2 H 1 3.9 0.02 . 2 . . . . . . . . 390 1 297 . 1 1 41 41 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 390 1 298 . 1 1 42 42 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 390 1 299 . 1 1 42 42 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 390 1 300 . 1 1 42 42 LEU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 390 1 301 . 1 1 42 42 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 390 1 302 . 1 1 42 42 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 390 1 303 . 1 1 42 42 LEU HD11 H 1 .75 0.02 . 2 . . . . . . . . 390 1 304 . 1 1 42 42 LEU HD12 H 1 .75 0.02 . 2 . . . . . . . . 390 1 305 . 1 1 42 42 LEU HD13 H 1 .75 0.02 . 2 . . . . . . . . 390 1 306 . 1 1 42 42 LEU HD21 H 1 .79 0.02 . 2 . . . . . . . . 390 1 307 . 1 1 42 42 LEU HD22 H 1 .79 0.02 . 2 . . . . . . . . 390 1 308 . 1 1 42 42 LEU HD23 H 1 .79 0.02 . 2 . . . . . . . . 390 1 309 . 1 1 43 43 LEU H H 1 7.4 0.02 . 1 . . . . . . . . 390 1 310 . 1 1 43 43 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 390 1 311 . 1 1 43 43 LEU HB2 H 1 1.7 0.02 . 2 . . . . . . . . 390 1 312 . 1 1 43 43 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 390 1 313 . 1 1 43 43 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 390 1 314 . 1 1 43 43 LEU HD11 H 1 .79 0.02 . 2 . . . . . . . . 390 1 315 . 1 1 43 43 LEU HD12 H 1 .79 0.02 . 2 . . . . . . . . 390 1 316 . 1 1 43 43 LEU HD13 H 1 .79 0.02 . 2 . . . . . . . . 390 1 317 . 1 1 43 43 LEU HD21 H 1 .95 0.02 . 2 . . . . . . . . 390 1 318 . 1 1 43 43 LEU HD22 H 1 .95 0.02 . 2 . . . . . . . . 390 1 319 . 1 1 43 43 LEU HD23 H 1 .95 0.02 . 2 . . . . . . . . 390 1 320 . 1 1 44 44 LYS H H 1 7.35 0.02 . 1 . . . . . . . . 390 1 321 . 1 1 44 44 LYS HA H 1 4.47 0.02 . 1 . . . . . . . . 390 1 322 . 1 1 44 44 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 390 1 323 . 1 1 44 44 LYS HB3 H 1 1.97 0.02 . 2 . . . . . . . . 390 1 324 . 1 1 44 44 LYS HG2 H 1 1.4 0.02 . 2 . . . . . . . . 390 1 325 . 1 1 44 44 LYS HG3 H 1 1.57 0.02 . 2 . . . . . . . . 390 1 326 . 1 1 44 44 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 390 1 327 . 1 1 44 44 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 390 1 328 . 1 1 44 44 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 390 1 329 . 1 1 44 44 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 390 1 330 . 1 1 45 45 GLY H H 1 8.04 0.02 . 1 . . . . . . . . 390 1 331 . 1 1 45 45 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 390 1 332 . 1 1 45 45 GLY HA3 H 1 4.22 0.02 . 2 . . . . . . . . 390 1 333 . 1 1 46 46 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 390 1 334 . 1 1 46 46 PRO HB2 H 1 2.03 0.02 . 2 . . . . . . . . 390 1 335 . 1 1 46 46 PRO HB3 H 1 2.26 0.02 . 2 . . . . . . . . 390 1 336 . 1 1 46 46 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 390 1 337 . 1 1 46 46 PRO HG3 H 1 1.94 0.02 . 2 . . . . . . . . 390 1 338 . 1 1 46 46 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 390 1 339 . 1 1 46 46 PRO HD3 H 1 3.74 0.02 . 2 . . . . . . . . 390 1 340 . 1 1 47 47 ARG H H 1 7.99 0.02 . 1 . . . . . . . . 390 1 341 . 1 1 47 47 ARG HA H 1 4.64 0.02 . 1 . . . . . . . . 390 1 342 . 1 1 47 47 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 390 1 343 . 1 1 47 47 ARG HB3 H 1 1.92 0.02 . 2 . . . . . . . . 390 1 344 . 1 1 47 47 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 390 1 345 . 1 1 47 47 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 390 1 346 . 1 1 47 47 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 390 1 347 . 1 1 47 47 ARG HD3 H 1 3.17 0.02 . 2 . . . . . . . . 390 1 348 . 1 1 47 47 ARG HE H 1 7.49 0.02 . 1 . . . . . . . . 390 1 349 . 1 1 48 48 THR H H 1 8.36 0.02 . 1 . . . . . . . . 390 1 350 . 1 1 48 48 THR HA H 1 4.28 0.02 . 1 . . . . . . . . 390 1 351 . 1 1 48 48 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 390 1 352 . 1 1 48 48 THR HG21 H 1 1.38 0.02 . 1 . . . . . . . . 390 1 353 . 1 1 48 48 THR HG22 H 1 1.38 0.02 . 1 . . . . . . . . 390 1 354 . 1 1 48 48 THR HG23 H 1 1.38 0.02 . 1 . . . . . . . . 390 1 355 . 1 1 49 49 LEU H H 1 8.82 0.02 . 1 . . . . . . . . 390 1 356 . 1 1 49 49 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 390 1 357 . 1 1 49 49 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 390 1 358 . 1 1 49 49 LEU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 390 1 359 . 1 1 49 49 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 390 1 360 . 1 1 49 49 LEU HD11 H 1 .94 0.02 . 1 . . . . . . . . 390 1 361 . 1 1 49 49 LEU HD12 H 1 .94 0.02 . 1 . . . . . . . . 390 1 362 . 1 1 49 49 LEU HD13 H 1 .94 0.02 . 1 . . . . . . . . 390 1 363 . 1 1 49 49 LEU HD21 H 1 .94 0.02 . 1 . . . . . . . . 390 1 364 . 1 1 49 49 LEU HD22 H 1 .94 0.02 . 1 . . . . . . . . 390 1 365 . 1 1 49 49 LEU HD23 H 1 .94 0.02 . 1 . . . . . . . . 390 1 366 . 1 1 50 50 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 390 1 367 . 1 1 50 50 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 390 1 368 . 1 1 50 50 ASP HB2 H 1 2.55 0.02 . 2 . . . . . . . . 390 1 369 . 1 1 50 50 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 390 1 370 . 1 1 51 51 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 390 1 371 . 1 1 51 51 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 390 1 372 . 1 1 51 51 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 390 1 373 . 1 1 51 51 ASP HB3 H 1 2.88 0.02 . 2 . . . . . . . . 390 1 374 . 1 1 52 52 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 390 1 375 . 1 1 52 52 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 390 1 376 . 1 1 52 52 LEU HB2 H 1 1.7 0.02 . 2 . . . . . . . . 390 1 377 . 1 1 52 52 LEU HB3 H 1 1.76 0.02 . 2 . . . . . . . . 390 1 378 . 1 1 52 52 LEU HG H 1 1.6 0.02 . 1 . . . . . . . . 390 1 379 . 1 1 52 52 LEU HD11 H 1 .81 0.02 . 2 . . . . . . . . 390 1 380 . 1 1 52 52 LEU HD12 H 1 .81 0.02 . 2 . . . . . . . . 390 1 381 . 1 1 52 52 LEU HD13 H 1 .81 0.02 . 2 . . . . . . . . 390 1 382 . 1 1 52 52 LEU HD21 H 1 .8 0.02 . 2 . . . . . . . . 390 1 383 . 1 1 52 52 LEU HD22 H 1 .8 0.02 . 2 . . . . . . . . 390 1 384 . 1 1 52 52 LEU HD23 H 1 .8 0.02 . 2 . . . . . . . . 390 1 385 . 1 1 53 53 PHE H H 1 8.98 0.02 . 1 . . . . . . . . 390 1 386 . 1 1 53 53 PHE HA H 1 3.64 0.02 . 1 . . . . . . . . 390 1 387 . 1 1 53 53 PHE HB2 H 1 2.99 0.02 . 2 . . . . . . . . 390 1 388 . 1 1 53 53 PHE HB3 H 1 3.22 0.02 . 2 . . . . . . . . 390 1 389 . 1 1 54 54 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 390 1 390 . 1 1 54 54 GLN HA H 1 3.97 0.02 . 1 . . . . . . . . 390 1 391 . 1 1 54 54 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 390 1 392 . 1 1 54 54 GLN HB3 H 1 2.21 0.02 . 2 . . . . . . . . 390 1 393 . 1 1 54 54 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 390 1 394 . 1 1 54 54 GLN HG3 H 1 2.56 0.02 . 2 . . . . . . . . 390 1 395 . 1 1 55 55 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 390 1 396 . 1 1 55 55 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 390 1 397 . 1 1 55 55 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 390 1 398 . 1 1 55 55 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 390 1 399 . 1 1 55 55 GLU HG2 H 1 1.97 0.02 . 2 . . . . . . . . 390 1 400 . 1 1 55 55 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 390 1 401 . 1 1 56 56 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 390 1 402 . 1 1 56 56 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 390 1 403 . 1 1 56 56 LEU HB2 H 1 1.14 0.02 . 2 . . . . . . . . 390 1 404 . 1 1 56 56 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 390 1 405 . 1 1 56 56 LEU HG H 1 2 0.02 . 1 . . . . . . . . 390 1 406 . 1 1 56 56 LEU HD11 H 1 .73 0.02 . 2 . . . . . . . . 390 1 407 . 1 1 56 56 LEU HD12 H 1 .73 0.02 . 2 . . . . . . . . 390 1 408 . 1 1 56 56 LEU HD13 H 1 .73 0.02 . 2 . . . . . . . . 390 1 409 . 1 1 56 56 LEU HD21 H 1 .82 0.02 . 2 . . . . . . . . 390 1 410 . 1 1 56 56 LEU HD22 H 1 .82 0.02 . 2 . . . . . . . . 390 1 411 . 1 1 56 56 LEU HD23 H 1 .82 0.02 . 2 . . . . . . . . 390 1 412 . 1 1 57 57 ASP H H 1 7.93 0.02 . 1 . . . . . . . . 390 1 413 . 1 1 57 57 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 390 1 414 . 1 1 57 57 ASP HB2 H 1 1.57 0.02 . 2 . . . . . . . . 390 1 415 . 1 1 57 57 ASP HB3 H 1 2.48 0.02 . 2 . . . . . . . . 390 1 416 . 1 1 58 58 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 390 1 417 . 1 1 58 58 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 390 1 418 . 1 1 58 58 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 390 1 419 . 1 1 58 58 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 390 1 420 . 1 1 58 58 LYS HG2 H 1 1.5 0.02 . 2 . . . . . . . . 390 1 421 . 1 1 58 58 LYS HG3 H 1 1.69 0.02 . 2 . . . . . . . . 390 1 422 . 1 1 58 58 LYS HD2 H 1 1.73 0.02 . 2 . . . . . . . . 390 1 423 . 1 1 58 58 LYS HD3 H 1 1.74 0.02 . 2 . . . . . . . . 390 1 424 . 1 1 58 58 LYS HE2 H 1 3.05 0.02 . 2 . . . . . . . . 390 1 425 . 1 1 58 58 LYS HE3 H 1 3.09 0.02 . 2 . . . . . . . . 390 1 426 . 1 1 59 59 ASN H H 1 7.92 0.02 . 1 . . . . . . . . 390 1 427 . 1 1 59 59 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 390 1 428 . 1 1 59 59 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 390 1 429 . 1 1 59 59 ASN HB3 H 1 3.29 0.02 . 2 . . . . . . . . 390 1 430 . 1 1 59 59 ASN HD21 H 1 6.63 0.02 . 2 . . . . . . . . 390 1 431 . 1 1 59 59 ASN HD22 H 1 8.04 0.02 . 2 . . . . . . . . 390 1 432 . 1 1 60 60 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 390 1 433 . 1 1 60 60 GLY HA2 H 1 3.8 0.02 . 2 . . . . . . . . 390 1 434 . 1 1 60 60 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 390 1 435 . 1 1 61 61 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 390 1 436 . 1 1 61 61 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 390 1 437 . 1 1 61 61 ASP HB2 H 1 2.46 0.02 . 2 . . . . . . . . 390 1 438 . 1 1 61 61 ASP HB3 H 1 3.13 0.02 . 2 . . . . . . . . 390 1 439 . 1 1 62 62 GLY H H 1 10.48 0.02 . 1 . . . . . . . . 390 1 440 . 1 1 62 62 GLY HA2 H 1 3.7 0.02 . 2 . . . . . . . . 390 1 441 . 1 1 62 62 GLY HA3 H 1 4.28 0.02 . 2 . . . . . . . . 390 1 442 . 1 1 63 63 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 390 1 443 . 1 1 63 63 GLU HA H 1 5.13 0.02 . 1 . . . . . . . . 390 1 444 . 1 1 63 63 GLU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 390 1 445 . 1 1 63 63 GLU HB3 H 1 1.9 0.02 . 2 . . . . . . . . 390 1 446 . 1 1 63 63 GLU HG2 H 1 2 0.02 . 2 . . . . . . . . 390 1 447 . 1 1 63 63 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 390 1 448 . 1 1 64 64 VAL H H 1 10.38 0.02 . 1 . . . . . . . . 390 1 449 . 1 1 64 64 VAL HA H 1 5.12 0.02 . 1 . . . . . . . . 390 1 450 . 1 1 64 64 VAL HB H 1 2.34 0.02 . 1 . . . . . . . . 390 1 451 . 1 1 64 64 VAL HG11 H 1 .51 0.02 . 2 . . . . . . . . 390 1 452 . 1 1 64 64 VAL HG12 H 1 .51 0.02 . 2 . . . . . . . . 390 1 453 . 1 1 64 64 VAL HG13 H 1 .51 0.02 . 2 . . . . . . . . 390 1 454 . 1 1 64 64 VAL HG21 H 1 1.24 0.02 . 2 . . . . . . . . 390 1 455 . 1 1 64 64 VAL HG22 H 1 1.24 0.02 . 2 . . . . . . . . 390 1 456 . 1 1 64 64 VAL HG23 H 1 1.24 0.02 . 2 . . . . . . . . 390 1 457 . 1 1 65 65 SER H H 1 9.55 0.02 . 1 . . . . . . . . 390 1 458 . 1 1 65 65 SER HA H 1 4.88 0.02 . 1 . . . . . . . . 390 1 459 . 1 1 65 65 SER HB2 H 1 4.22 0.02 . 2 . . . . . . . . 390 1 460 . 1 1 65 65 SER HB3 H 1 4.53 0.02 . 2 . . . . . . . . 390 1 461 . 1 1 66 66 PHE H H 1 9.61 0.02 . 1 . . . . . . . . 390 1 462 . 1 1 66 66 PHE HA H 1 3.32 0.02 . 1 . . . . . . . . 390 1 463 . 1 1 66 66 PHE HB2 H 1 2.43 0.02 . 2 . . . . . . . . 390 1 464 . 1 1 66 66 PHE HB3 H 1 2.65 0.02 . 2 . . . . . . . . 390 1 465 . 1 1 66 66 PHE HD1 H 1 6.49 0.02 . 1 . . . . . . . . 390 1 466 . 1 1 66 66 PHE HD2 H 1 6.49 0.02 . 1 . . . . . . . . 390 1 467 . 1 1 66 66 PHE HE1 H 1 7.125 0.02 . 1 . . . . . . . . 390 1 468 . 1 1 66 66 PHE HE2 H 1 7.125 0.02 . 1 . . . . . . . . 390 1 469 . 1 1 66 66 PHE HZ H 1 7.35 0.02 . 1 . . . . . . . . 390 1 470 . 1 1 67 67 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 390 1 471 . 1 1 67 67 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 390 1 472 . 1 1 67 67 GLU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 390 1 473 . 1 1 67 67 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 390 1 474 . 1 1 67 67 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 390 1 475 . 1 1 67 67 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 390 1 476 . 1 1 68 68 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 390 1 477 . 1 1 68 68 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 390 1 478 . 1 1 68 68 GLU HB2 H 1 2.38 0.02 . 2 . . . . . . . . 390 1 479 . 1 1 68 68 GLU HB3 H 1 2.56 0.02 . 2 . . . . . . . . 390 1 480 . 1 1 68 68 GLU HG2 H 1 2.6 0.02 . 1 . . . . . . . . 390 1 481 . 1 1 68 68 GLU HG3 H 1 2.6 0.02 . 1 . . . . . . . . 390 1 482 . 1 1 69 69 PHE H H 1 8.91 0.02 . 1 . . . . . . . . 390 1 483 . 1 1 69 69 PHE HA H 1 3.97 0.02 . 1 . . . . . . . . 390 1 484 . 1 1 69 69 PHE HB2 H 1 3.14 0.02 . 2 . . . . . . . . 390 1 485 . 1 1 69 69 PHE HB3 H 1 3.3 0.02 . 2 . . . . . . . . 390 1 486 . 1 1 69 69 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 390 1 487 . 1 1 69 69 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 390 1 488 . 1 1 69 69 PHE HE1 H 1 7.2 0.02 . 1 . . . . . . . . 390 1 489 . 1 1 69 69 PHE HE2 H 1 7.2 0.02 . 1 . . . . . . . . 390 1 490 . 1 1 69 69 PHE HZ H 1 7.14 0.02 . 1 . . . . . . . . 390 1 491 . 1 1 70 70 GLN H H 1 7.6 0.02 . 1 . . . . . . . . 390 1 492 . 1 1 70 70 GLN HA H 1 3.44 0.02 . 1 . . . . . . . . 390 1 493 . 1 1 70 70 GLN HB2 H 1 1.89 0.02 . 2 . . . . . . . . 390 1 494 . 1 1 70 70 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 390 1 495 . 1 1 70 70 GLN HG2 H 1 2.12 0.02 . 2 . . . . . . . . 390 1 496 . 1 1 70 70 GLN HG3 H 1 2.3 0.02 . 2 . . . . . . . . 390 1 497 . 1 1 70 70 GLN HE21 H 1 5.77 0.02 . 2 . . . . . . . . 390 1 498 . 1 1 70 70 GLN HE22 H 1 6.15 0.02 . 2 . . . . . . . . 390 1 499 . 1 1 71 71 VAL H H 1 7.07 0.02 . 1 . . . . . . . . 390 1 500 . 1 1 71 71 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 390 1 501 . 1 1 71 71 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 390 1 502 . 1 1 71 71 VAL HG11 H 1 .81 0.02 . 2 . . . . . . . . 390 1 503 . 1 1 71 71 VAL HG12 H 1 .81 0.02 . 2 . . . . . . . . 390 1 504 . 1 1 71 71 VAL HG13 H 1 .81 0.02 . 2 . . . . . . . . 390 1 505 . 1 1 71 71 VAL HG21 H 1 1.01 0.02 . 2 . . . . . . . . 390 1 506 . 1 1 71 71 VAL HG22 H 1 1.01 0.02 . 2 . . . . . . . . 390 1 507 . 1 1 71 71 VAL HG23 H 1 1.01 0.02 . 2 . . . . . . . . 390 1 508 . 1 1 72 72 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 390 1 509 . 1 1 72 72 LEU HA H 1 3.72 0.02 . 1 . . . . . . . . 390 1 510 . 1 1 72 72 LEU HB2 H 1 1.25 0.02 . 2 . . . . . . . . 390 1 511 . 1 1 72 72 LEU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 390 1 512 . 1 1 72 72 LEU HG H 1 1.21 0.02 . 1 . . . . . . . . 390 1 513 . 1 1 72 72 LEU HD11 H 1 .48 0.02 . 2 . . . . . . . . 390 1 514 . 1 1 72 72 LEU HD12 H 1 .48 0.02 . 2 . . . . . . . . 390 1 515 . 1 1 72 72 LEU HD13 H 1 .48 0.02 . 2 . . . . . . . . 390 1 516 . 1 1 72 72 LEU HD21 H 1 .69 0.02 . 2 . . . . . . . . 390 1 517 . 1 1 72 72 LEU HD22 H 1 .69 0.02 . 2 . . . . . . . . 390 1 518 . 1 1 72 72 LEU HD23 H 1 .69 0.02 . 2 . . . . . . . . 390 1 519 . 1 1 73 73 VAL H H 1 6.84 0.02 . 1 . . . . . . . . 390 1 520 . 1 1 73 73 VAL HA H 1 3.15 0.02 . 1 . . . . . . . . 390 1 521 . 1 1 73 73 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 390 1 522 . 1 1 73 73 VAL HG11 H 1 .6 0.02 . 2 . . . . . . . . 390 1 523 . 1 1 73 73 VAL HG12 H 1 .6 0.02 . 2 . . . . . . . . 390 1 524 . 1 1 73 73 VAL HG13 H 1 .6 0.02 . 2 . . . . . . . . 390 1 525 . 1 1 73 73 VAL HG21 H 1 .74 0.02 . 2 . . . . . . . . 390 1 526 . 1 1 73 73 VAL HG22 H 1 .74 0.02 . 2 . . . . . . . . 390 1 527 . 1 1 73 73 VAL HG23 H 1 .74 0.02 . 2 . . . . . . . . 390 1 528 . 1 1 74 74 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 390 1 529 . 1 1 74 74 LYS HA H 1 4 0.02 . 1 . . . . . . . . 390 1 530 . 1 1 74 74 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 390 1 531 . 1 1 74 74 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 390 1 532 . 1 1 74 74 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 390 1 533 . 1 1 74 74 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 390 1 534 . 1 1 74 74 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 390 1 535 . 1 1 74 74 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 390 1 536 . 1 1 74 74 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 390 1 537 . 1 1 74 74 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 390 1 538 . 1 1 75 75 LYS H H 1 7.48 0.02 . 1 . . . . . . . . 390 1 539 . 1 1 75 75 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 390 1 540 . 1 1 75 75 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 390 1 541 . 1 1 75 75 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 390 1 542 . 1 1 75 75 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 390 1 543 . 1 1 75 75 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 390 1 544 . 1 1 75 75 LYS HD2 H 1 1.42 0.02 . 2 . . . . . . . . 390 1 545 . 1 1 75 75 LYS HD3 H 1 1.58 0.02 . 2 . . . . . . . . 390 1 546 . 1 1 75 75 LYS HE2 H 1 2.69 0.02 . 2 . . . . . . . . 390 1 547 . 1 1 75 75 LYS HE3 H 1 2.81 0.02 . 2 . . . . . . . . 390 1 548 . 1 1 76 76 ILE H H 1 7.41 0.02 . 1 . . . . . . . . 390 1 549 . 1 1 76 76 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 390 1 550 . 1 1 76 76 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 390 1 551 . 1 1 76 76 ILE HG12 H 1 .83 0.02 . 2 . . . . . . . . 390 1 552 . 1 1 76 76 ILE HG13 H 1 1.22 0.02 . 2 . . . . . . . . 390 1 553 . 1 1 76 76 ILE HG21 H 1 .64 0.02 . 1 . . . . . . . . 390 1 554 . 1 1 76 76 ILE HG22 H 1 .64 0.02 . 1 . . . . . . . . 390 1 555 . 1 1 76 76 ILE HG23 H 1 .64 0.02 . 1 . . . . . . . . 390 1 556 . 1 1 76 76 ILE HD11 H 1 .29 0.02 . 1 . . . . . . . . 390 1 557 . 1 1 76 76 ILE HD12 H 1 .29 0.02 . 1 . . . . . . . . 390 1 558 . 1 1 76 76 ILE HD13 H 1 .29 0.02 . 1 . . . . . . . . 390 1 559 . 1 1 77 77 SER H H 1 7.69 0.02 . 1 . . . . . . . . 390 1 560 . 1 1 77 77 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 390 1 561 . 1 1 77 77 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 390 1 562 . 1 1 77 77 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 390 1 563 . 1 1 78 78 GLN H H 1 7.7 0.02 . 1 . . . . . . . . 390 1 564 . 1 1 78 78 GLN HA H 1 4.14 0.02 . 1 . . . . . . . . 390 1 565 . 1 1 78 78 GLN HB2 H 1 1.93 0.02 . 2 . . . . . . . . 390 1 566 . 1 1 78 78 GLN HB3 H 1 2.09 0.02 . 2 . . . . . . . . 390 1 567 . 1 1 78 78 GLN HG2 H 1 2.3 0.02 . 1 . . . . . . . . 390 1 568 . 1 1 78 78 GLN HG3 H 1 2.3 0.02 . 1 . . . . . . . . 390 1 stop_ save_