data_30515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30515 _Entry.Title ; NMR solution structure of lanmodulin (LanM) complexed with yttrium(III) ions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-19 _Entry.Accession_date 2018-09-19 _Entry.Last_release_date 2018-10-29 _Entry.Original_release_date 2018-10-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30515 stop_ 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.ORCID _Entry_author.Entry_ID 1 E. Cook E. C. . . 30515 2 E. Featherson E. R. . . 30515 3 S. Showalter S. A. . . 30515 4 J. 'Cotruvo Jr.' J. A. . . 30515 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 30515 'METAL BINDING PROTEIN' . 30515 lanthanide . 30515 methylotroph . 30515 periplasm . 30515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 30515 '15N chemical shifts' 100 30515 '1H chemical shifts' 598 30515 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 2 . . 2019-07-09 2018-09-19 update BMRB 'update entry citation' 30515 1 . . 2018-10-31 2018-09-19 original author 'original release' 30515 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MI5 . 30515 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30515 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.8b01019 _Citation.PubMed_ID 30352145 _Citation.Full_citation . _Citation.Title ; Structural basis for rare earth element recognition by Methylobacterium extorquens lanmodulin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 2 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 120 _Citation.Page_last 125 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. Cook E. C. . . 30515 1 2 E. Featherston E. R. . . 30515 1 3 S. Showalter S. A. . . 30515 1 4 J. 'Cotruvo Jr.' J. A. . . 30515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30515 _Assembly.ID 1 _Assembly.Name Lanmodulin _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 . _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 entity_1 1 $entity_1 A X yes . . . . . . 30515 1 2 'entity_2, 1' 2 $entity_YT3 B X no . . . . . . 30515 1 3 'entity_2, 2' 2 $entity_YT3 C X no . . . . . . 30515 1 4 'entity_2, 3' 2 $entity_YT3 D X no . . . . . . 30515 1 5 'entity_2, 4' 2 $entity_YT3 E X no . . . . . . 30515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PTTTTKVDIAAFDPDKDGTI DLKEALAAGSAAFDKLDPDK DGTLDAKELKGRVSEADLKK LDPDNDGTLDKKEYLAAVEA QFKAANPDNDGTIDARELAS PAGSALVNLIRHHHHHH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12529.771 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 23 PRO . 30515 1 2 24 THR . 30515 1 3 25 THR . 30515 1 4 26 THR . 30515 1 5 27 THR . 30515 1 6 28 LYS . 30515 1 7 29 VAL . 30515 1 8 30 ASP . 30515 1 9 31 ILE . 30515 1 10 32 ALA . 30515 1 11 33 ALA . 30515 1 12 34 PHE . 30515 1 13 35 ASP . 30515 1 14 36 PRO . 30515 1 15 37 ASP . 30515 1 16 38 LYS . 30515 1 17 39 ASP . 30515 1 18 40 GLY . 30515 1 19 41 THR . 30515 1 20 42 ILE . 30515 1 21 43 ASP . 30515 1 22 44 LEU . 30515 1 23 45 LYS . 30515 1 24 46 GLU . 30515 1 25 47 ALA . 30515 1 26 48 LEU . 30515 1 27 49 ALA . 30515 1 28 50 ALA . 30515 1 29 51 GLY . 30515 1 30 52 SER . 30515 1 31 53 ALA . 30515 1 32 54 ALA . 30515 1 33 55 PHE . 30515 1 34 56 ASP . 30515 1 35 57 LYS . 30515 1 36 58 LEU . 30515 1 37 59 ASP . 30515 1 38 60 PRO . 30515 1 39 61 ASP . 30515 1 40 62 LYS . 30515 1 41 63 ASP . 30515 1 42 64 GLY . 30515 1 43 65 THR . 30515 1 44 66 LEU . 30515 1 45 67 ASP . 30515 1 46 68 ALA . 30515 1 47 69 LYS . 30515 1 48 70 GLU . 30515 1 49 71 LEU . 30515 1 50 72 LYS . 30515 1 51 73 GLY . 30515 1 52 74 ARG . 30515 1 53 75 VAL . 30515 1 54 76 SER . 30515 1 55 77 GLU . 30515 1 56 78 ALA . 30515 1 57 79 ASP . 30515 1 58 80 LEU . 30515 1 59 81 LYS . 30515 1 60 82 LYS . 30515 1 61 83 LEU . 30515 1 62 84 ASP . 30515 1 63 85 PRO . 30515 1 64 86 ASP . 30515 1 65 87 ASN . 30515 1 66 88 ASP . 30515 1 67 89 GLY . 30515 1 68 90 THR . 30515 1 69 91 LEU . 30515 1 70 92 ASP . 30515 1 71 93 LYS . 30515 1 72 94 LYS . 30515 1 73 95 GLU . 30515 1 74 96 TYR . 30515 1 75 97 LEU . 30515 1 76 98 ALA . 30515 1 77 99 ALA . 30515 1 78 100 VAL . 30515 1 79 101 GLU . 30515 1 80 102 ALA . 30515 1 81 103 GLN . 30515 1 82 104 PHE . 30515 1 83 105 LYS . 30515 1 84 106 ALA . 30515 1 85 107 ALA . 30515 1 86 108 ASN . 30515 1 87 109 PRO . 30515 1 88 110 ASP . 30515 1 89 111 ASN . 30515 1 90 112 ASP . 30515 1 91 113 GLY . 30515 1 92 114 THR . 30515 1 93 115 ILE . 30515 1 94 116 ASP . 30515 1 95 117 ALA . 30515 1 96 118 ARG . 30515 1 97 119 GLU . 30515 1 98 120 LEU . 30515 1 99 121 ALA . 30515 1 100 122 SER . 30515 1 101 123 PRO . 30515 1 102 124 ALA . 30515 1 103 125 GLY . 30515 1 104 126 SER . 30515 1 105 127 ALA . 30515 1 106 128 LEU . 30515 1 107 129 VAL . 30515 1 108 130 ASN . 30515 1 109 131 LEU . 30515 1 110 132 ILE . 30515 1 111 133 ARG . 30515 1 112 134 HIS . 30515 1 113 135 HIS . 30515 1 114 136 HIS . 30515 1 115 137 HIS . 30515 1 116 138 HIS . 30515 1 117 139 HIS . 30515 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 . PRO 1 1 30515 1 . THR 2 2 30515 1 . THR 3 3 30515 1 . THR 4 4 30515 1 . THR 5 5 30515 1 . LYS 6 6 30515 1 . VAL 7 7 30515 1 . ASP 8 8 30515 1 . ILE 9 9 30515 1 . ALA 10 10 30515 1 . ALA 11 11 30515 1 . PHE 12 12 30515 1 . ASP 13 13 30515 1 . PRO 14 14 30515 1 . ASP 15 15 30515 1 . LYS 16 16 30515 1 . ASP 17 17 30515 1 . GLY 18 18 30515 1 . THR 19 19 30515 1 . ILE 20 20 30515 1 . ASP 21 21 30515 1 . LEU 22 22 30515 1 . LYS 23 23 30515 1 . GLU 24 24 30515 1 . ALA 25 25 30515 1 . LEU 26 26 30515 1 . ALA 27 27 30515 1 . ALA 28 28 30515 1 . GLY 29 29 30515 1 . SER 30 30 30515 1 . ALA 31 31 30515 1 . ALA 32 32 30515 1 . PHE 33 33 30515 1 . ASP 34 34 30515 1 . LYS 35 35 30515 1 . LEU 36 36 30515 1 . ASP 37 37 30515 1 . PRO 38 38 30515 1 . ASP 39 39 30515 1 . LYS 40 40 30515 1 . ASP 41 41 30515 1 . GLY 42 42 30515 1 . THR 43 43 30515 1 . LEU 44 44 30515 1 . ASP 45 45 30515 1 . ALA 46 46 30515 1 . LYS 47 47 30515 1 . GLU 48 48 30515 1 . LEU 49 49 30515 1 . LYS 50 50 30515 1 . GLY 51 51 30515 1 . ARG 52 52 30515 1 . VAL 53 53 30515 1 . SER 54 54 30515 1 . GLU 55 55 30515 1 . ALA 56 56 30515 1 . ASP 57 57 30515 1 . LEU 58 58 30515 1 . LYS 59 59 30515 1 . LYS 60 60 30515 1 . LEU 61 61 30515 1 . ASP 62 62 30515 1 . PRO 63 63 30515 1 . ASP 64 64 30515 1 . ASN 65 65 30515 1 . ASP 66 66 30515 1 . GLY 67 67 30515 1 . THR 68 68 30515 1 . LEU 69 69 30515 1 . ASP 70 70 30515 1 . LYS 71 71 30515 1 . LYS 72 72 30515 1 . GLU 73 73 30515 1 . TYR 74 74 30515 1 . LEU 75 75 30515 1 . ALA 76 76 30515 1 . ALA 77 77 30515 1 . VAL 78 78 30515 1 . GLU 79 79 30515 1 . ALA 80 80 30515 1 . GLN 81 81 30515 1 . PHE 82 82 30515 1 . LYS 83 83 30515 1 . ALA 84 84 30515 1 . ALA 85 85 30515 1 . ASN 86 86 30515 1 . PRO 87 87 30515 1 . ASP 88 88 30515 1 . ASN 89 89 30515 1 . ASP 90 90 30515 1 . GLY 91 91 30515 1 . THR 92 92 30515 1 . ILE 93 93 30515 1 . ASP 94 94 30515 1 . ALA 95 95 30515 1 . ARG 96 96 30515 1 . GLU 97 97 30515 1 . LEU 98 98 30515 1 . ALA 99 99 30515 1 . SER 100 100 30515 1 . PRO 101 101 30515 1 . ALA 102 102 30515 1 . GLY 103 103 30515 1 . SER 104 104 30515 1 . ALA 105 105 30515 1 . LEU 106 106 30515 1 . VAL 107 107 30515 1 . ASN 108 108 30515 1 . LEU 109 109 30515 1 . ILE 110 110 30515 1 . ARG 111 111 30515 1 . HIS 112 112 30515 1 . HIS 113 113 30515 1 . HIS 114 114 30515 1 . HIS 115 115 30515 1 . HIS 116 116 30515 1 . HIS 117 117 30515 1 stop_ save_ save_entity_YT3 _Entity.Sf_category entity _Entity.Sf_framecode entity_YT3 _Entity.Entry_ID 30515 _Entity.ID 2 _Entity.BMRB_code YT3 _Entity.Name entity_YT3 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 YT3 _Entity.Nonpolymer_comp_label $chem_comp_YT3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 88.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'YTTRIUM (III) ION' BMRB 30515 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'YTTRIUM (III) ION' BMRB 30515 2 YT3 'Three letter code' 30515 2 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 1 YT3 $chem_comp_YT3 30515 2 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 30515 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 272630 organism . 'Methylobacterium extorquens' 'Methylobacterium extorquens' . . Bacteria . Methylobacterium extorquens 'ATCC 14718 / DSM 1338 / JCM 2805 / NCIMB 9133 / AM1' . . . . . . . . . . MexAM1_META1p1786 . 30515 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 30515 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30515 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_YT3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_YT3 _Chem_comp.Entry_ID 30515 _Chem_comp.ID YT3 _Chem_comp.Provenance PDB _Chem_comp.Name 'YTTRIUM (III) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code YT3 _Chem_comp.PDB_code YT3 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code YT3 _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Y/q+3 _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 . _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 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Y _Chem_comp.Formula_weight 88.906 _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 . _Chem_comp.Processing_site PDBJ _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 GRTBAGCGDOYUBE-UHFFFAOYSA-N InChIKey InChI 1.03 30515 YT3 InChI=1S/Y/q+3 InChI InChI 1.03 30515 YT3 [Y+3] SMILES ACDLabs 10.04 30515 YT3 [Y+3] SMILES CACTVS 3.341 30515 YT3 [Y+3] SMILES 'OpenEye OEToolkits' 1.5.0 30515 YT3 [Y+3] SMILES_CANONICAL CACTVS 3.341 30515 YT3 [Y+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30515 YT3 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 yttrium 'SYSTEMATIC NAME' ACDLabs 10.04 30515 YT3 'yttrium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30515 YT3 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 Y Y Y Y . Y . . N 3 . . . 1 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30515 YT3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30515 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.14 mM [U-99% 13C; U-99% 15N] Lanmodulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Lanmodulin '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.14 . . mM . . . . 30515 1 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 30515 1 3 KCl 'natural abundance' . . . . . . 20 . . mM . . . . 30515 1 4 acetate 'natural abundance' . . . . . . 5 . . mM . . . . 30515 1 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 30515 1 6 YCl3 'natural abundance' . . . . . . 5 . . mM . . . . 30515 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30515 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.26 mM [U-99% 13C; U-99% 15N] Lanmodulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Lanmodulin '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 1.26 . . mM . . . . 30515 2 2 MOPS 'natural abundance' . . . . . . 20 . . mM . . . . 30515 2 3 KCl 'natural abundance' . . . . . . 20 . . mM . . . . 30515 2 4 acetate 'natural abundance' . . . . . . 5 . . mM . . . . 30515 2 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 30515 2 6 YCl3 'natural abundance' . . . . . . 5 . . mM . . . . 30515 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30515 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 46 2 mM 30515 1 pH 7.0 . pH 30515 1 pressure 1 . atm 30515 1 temperature 298 . K 30515 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30515 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30515 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30515 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30515 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30515 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30515 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30515 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30515 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30515 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30515 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30515 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30515 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30515 _Software.ID 5 _Software.Type . _Software.Name AMBER _Software.Version 14 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30515 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30515 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30515 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 30515 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 30515 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 30515 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30515 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30515 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30515 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30515 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30515 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30515 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 '3D 1H-13C NOESY aliphatic' . . . 30515 1 2 '3D 1H-15N NOESY' . . . 30515 1 3 '3D HNCACB' . . . 30515 1 4 '3D CBCA(CO)NH' . . . 30515 1 5 '3D HNCO' . . . 30515 1 6 '3D HN(CA)CO' . . . 30515 1 7 '3D HCCH-TOCSY' . . . 30515 1 8 '3D H(CCO)NH' . . . 30515 1 9 '2D 1H-15N HSQC' . . . 30515 1 10 '2D 1H-13C HSQC' . . . 30515 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.Ambiguity_set_ID _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 PRO CA C 13 60.321 0.02 . 1 . . . . A 23 PRO CA . 30515 1 2 . 1 1 1 1 PRO CB C 13 29.365 0 . 1 . . . . A 23 PRO CB . 30515 1 3 . 1 1 2 2 THR H H 1 8.231 0 . 1 . . . . A 24 THR H . 30515 1 4 . 1 1 2 2 THR CA C 13 59.094 0.05 . 1 . . . . A 24 THR CA . 30515 1 5 . 1 1 2 2 THR CB C 13 67.178 0 . 1 . . . . A 24 THR CB . 30515 1 6 . 1 1 2 2 THR N N 15 114.291 0.06 . 1 . . . . A 24 THR N . 30515 1 7 . 1 1 3 3 THR H H 1 8.111 0.01 . 1 . . . . A 25 THR H . 30515 1 8 . 1 1 3 3 THR CA C 13 59.002 0 . 1 . . . . A 25 THR CA . 30515 1 9 . 1 1 3 3 THR CB C 13 67.209 0 . 1 . . . . A 25 THR CB . 30515 1 10 . 1 1 3 3 THR N N 15 116.353 0.01 . 1 . . . . A 25 THR N . 30515 1 11 . 1 1 4 4 THR H H 1 8.152 0 . 1 . . . . A 26 THR H . 30515 1 12 . 1 1 4 4 THR CA C 13 58.98 0 . 1 . . . . A 26 THR CA . 30515 1 13 . 1 1 4 4 THR CB C 13 67.139 0 . 1 . . . . A 26 THR CB . 30515 1 14 . 1 1 4 4 THR N N 15 116.331 0.03 . 1 . . . . A 26 THR N . 30515 1 15 . 1 1 5 5 THR H H 1 8.147 0.01 . 1 . . . . A 27 THR H . 30515 1 16 . 1 1 5 5 THR HA H 1 4.084 0 . 1 . . . . A 27 THR HA . 30515 1 17 . 1 1 5 5 THR HG21 H 1 1.106 0.01 . 1 . . . . A 27 THR HG21 . 30515 1 18 . 1 1 5 5 THR HG22 H 1 1.106 0.01 . 1 . . . . A 27 THR HG22 . 30515 1 19 . 1 1 5 5 THR HG23 H 1 1.106 0.01 . 1 . . . . A 27 THR HG23 . 30515 1 20 . 1 1 5 5 THR CA C 13 59.281 0 . 1 . . . . A 27 THR CA . 30515 1 21 . 1 1 5 5 THR CB C 13 67.168 0.03 . 1 . . . . A 27 THR CB . 30515 1 22 . 1 1 5 5 THR CG2 C 13 19.051 0 . 1 . . . . A 27 THR CG2 . 30515 1 23 . 1 1 5 5 THR N N 15 117.291 0.08 . 1 . . . . A 27 THR N . 30515 1 24 . 1 1 6 6 LYS H H 1 8.293 0 . 1 . . . . A 28 LYS H . 30515 1 25 . 1 1 6 6 LYS HA H 1 4.285 0 . 1 . . . . A 28 LYS HA . 30515 1 26 . 1 1 6 6 LYS HB2 H 1 1.712 0 . 1 . . . . A 28 LYS HB2 . 30515 1 27 . 1 1 6 6 LYS HG2 H 1 1.324 0 . 1 . . . . A 28 LYS HG2 . 30515 1 28 . 1 1 6 6 LYS HG3 H 1 1.319 0 . 1 . . . . A 28 LYS HG3 . 30515 1 29 . 1 1 6 6 LYS HD2 H 1 1.589 0 . 1 . . . . A 28 LYS HD2 . 30515 1 30 . 1 1 6 6 LYS HE2 H 1 2.898 0.01 . 1 . . . . A 28 LYS HE2 . 30515 1 31 . 1 1 6 6 LYS CA C 13 53.605 0.05 . 1 . . . . A 28 LYS CA . 30515 1 32 . 1 1 6 6 LYS CB C 13 30.448 0.01 . 1 . . . . A 28 LYS CB . 30515 1 33 . 1 1 6 6 LYS CG C 13 21.916 0.02 . 1 . . . . A 28 LYS CG . 30515 1 34 . 1 1 6 6 LYS CD C 13 26.41 0.02 . 1 . . . . A 28 LYS CD . 30515 1 35 . 1 1 6 6 LYS N N 15 124.567 0.06 . 1 . . . . A 28 LYS N . 30515 1 36 . 1 1 7 7 VAL H H 1 8.184 0 . 1 . . . . A 29 VAL H . 30515 1 37 . 1 1 7 7 VAL HA H 1 4.04 0 . 1 . . . . A 29 VAL HA . 30515 1 38 . 1 1 7 7 VAL HB H 1 1.993 0 . 1 . . . . A 29 VAL HB . 30515 1 39 . 1 1 7 7 VAL HG11 H 1 0.861 0 . 1 . . . . A 29 VAL HG11 . 30515 1 40 . 1 1 7 7 VAL HG12 H 1 0.861 0 . 1 . . . . A 29 VAL HG12 . 30515 1 41 . 1 1 7 7 VAL HG13 H 1 0.861 0 . 1 . . . . A 29 VAL HG13 . 30515 1 42 . 1 1 7 7 VAL HG21 H 1 0.865 0 . 1 . . . . A 29 VAL HG21 . 30515 1 43 . 1 1 7 7 VAL HG22 H 1 0.865 0 . 1 . . . . A 29 VAL HG22 . 30515 1 44 . 1 1 7 7 VAL HG23 H 1 0.865 0 . 1 . . . . A 29 VAL HG23 . 30515 1 45 . 1 1 7 7 VAL CA C 13 59.21 0.03 . 1 . . . . A 29 VAL CA . 30515 1 46 . 1 1 7 7 VAL CB C 13 30.223 0.05 . 1 . . . . A 29 VAL CB . 30515 1 47 . 1 1 7 7 VAL CG1 C 13 18.468 0.11 . 1 . . . . A 29 VAL CG1 . 30515 1 48 . 1 1 7 7 VAL N N 15 121.815 0.06 . 1 . . . . A 29 VAL N . 30515 1 49 . 1 1 8 8 ASP H H 1 8.148 0 . 1 . . . . A 30 ASP H . 30515 1 50 . 1 1 8 8 ASP HA H 1 4.665 0.01 . 1 . . . . A 30 ASP HA . 30515 1 51 . 1 1 8 8 ASP HB2 H 1 2.591 0.33 . 1 . . . . A 30 ASP HB2 . 30515 1 52 . 1 1 8 8 ASP HB3 H 1 2.637 0.03 . 1 . . . . A 30 ASP HB3 . 30515 1 53 . 1 1 8 8 ASP CA C 13 50.171 0.06 . 1 . . . . A 30 ASP CA . 30515 1 54 . 1 1 8 8 ASP CB C 13 39.84 0.17 . 1 . . . . A 30 ASP CB . 30515 1 55 . 1 1 8 8 ASP N N 15 125.545 0.02 . 1 . . . . A 30 ASP N . 30515 1 56 . 1 1 9 9 ILE H H 1 8.319 0.01 . 1 . . . . A 31 ILE H . 30515 1 57 . 1 1 9 9 ILE HA H 1 3.712 0 . 1 . . . . A 31 ILE HA . 30515 1 58 . 1 1 9 9 ILE HB H 1 1.746 0 . 1 . . . . A 31 ILE HB . 30515 1 59 . 1 1 9 9 ILE HG12 H 1 1.463 0.01 . 1 . . . . A 31 ILE HG12 . 30515 1 60 . 1 1 9 9 ILE HG13 H 1 1.169 0 . 1 . . . . A 31 ILE HG13 . 30515 1 61 . 1 1 9 9 ILE HG21 H 1 0.814 0 . 1 . . . . A 31 ILE HG21 . 30515 1 62 . 1 1 9 9 ILE HG22 H 1 0.814 0 . 1 . . . . A 31 ILE HG22 . 30515 1 63 . 1 1 9 9 ILE HG23 H 1 0.814 0 . 1 . . . . A 31 ILE HG23 . 30515 1 64 . 1 1 9 9 ILE HD11 H 1 0.766 0.01 . 1 . . . . A 31 ILE HD11 . 30515 1 65 . 1 1 9 9 ILE HD12 H 1 0.766 0.01 . 1 . . . . A 31 ILE HD12 . 30515 1 66 . 1 1 9 9 ILE HD13 H 1 0.766 0.01 . 1 . . . . A 31 ILE HD13 . 30515 1 67 . 1 1 9 9 ILE CA C 13 61.002 0.03 . 1 . . . . A 31 ILE CA . 30515 1 68 . 1 1 9 9 ILE CB C 13 35.818 0.04 . 1 . . . . A 31 ILE CB . 30515 1 69 . 1 1 9 9 ILE CG1 C 13 26.214 0.03 . 1 . . . . A 31 ILE CG1 . 30515 1 70 . 1 1 9 9 ILE CG2 C 13 13.691 0.12 . 1 . . . . A 31 ILE CG2 . 30515 1 71 . 1 1 9 9 ILE CD1 C 13 10.61 0.03 . 1 . . . . A 31 ILE CD1 . 30515 1 72 . 1 1 9 9 ILE N N 15 123.528 0.02 . 1 . . . . A 31 ILE N . 30515 1 73 . 1 1 10 10 ALA H H 1 7.921 0 . 1 . . . . A 32 ALA H . 30515 1 74 . 1 1 10 10 ALA HA H 1 4.088 0.01 . 1 . . . . A 32 ALA HA . 30515 1 75 . 1 1 10 10 ALA HB1 H 1 1.32 0 . 1 . . . . A 32 ALA HB1 . 30515 1 76 . 1 1 10 10 ALA HB2 H 1 1.32 0 . 1 . . . . A 32 ALA HB2 . 30515 1 77 . 1 1 10 10 ALA HB3 H 1 1.32 0 . 1 . . . . A 32 ALA HB3 . 30515 1 78 . 1 1 10 10 ALA CA C 13 51.987 0.05 . 1 . . . . A 32 ALA CA . 30515 1 79 . 1 1 10 10 ALA CB C 13 15.79 0.05 . 1 . . . . A 32 ALA CB . 30515 1 80 . 1 1 10 10 ALA N N 15 120.728 0.01 . 1 . . . . A 32 ALA N . 30515 1 81 . 1 1 11 11 ALA H H 1 7.349 0.01 . 1 . . . . A 33 ALA H . 30515 1 82 . 1 1 11 11 ALA HA H 1 3.718 0 . 1 . . . . A 33 ALA HA . 30515 1 83 . 1 1 11 11 ALA HB1 H 1 0.636 0 . 1 . . . . A 33 ALA HB1 . 30515 1 84 . 1 1 11 11 ALA HB2 H 1 0.636 0 . 1 . . . . A 33 ALA HB2 . 30515 1 85 . 1 1 11 11 ALA HB3 H 1 0.636 0 . 1 . . . . A 33 ALA HB3 . 30515 1 86 . 1 1 11 11 ALA CA C 13 51.18 0.03 . 1 . . . . A 33 ALA CA . 30515 1 87 . 1 1 11 11 ALA CB C 13 15.07 0.06 . 1 . . . . A 33 ALA CB . 30515 1 88 . 1 1 11 11 ALA N N 15 118.351 0.07 . 1 . . . . A 33 ALA N . 30515 1 89 . 1 1 12 12 PHE H H 1 7.483 0 . 1 . . . . A 34 PHE H . 30515 1 90 . 1 1 12 12 PHE HA H 1 4.858 0.04 . 1 . . . . A 34 PHE HA . 30515 1 91 . 1 1 12 12 PHE HB2 H 1 2.476 0 . 1 . . . . A 34 PHE HB2 . 30515 1 92 . 1 1 12 12 PHE HB3 H 1 3.375 0.01 . 1 . . . . A 34 PHE HB3 . 30515 1 93 . 1 1 12 12 PHE HE2 H 1 7.031 0.01 . 1 . . . . A 34 PHE HE2 . 30515 1 94 . 1 1 12 12 PHE CA C 13 52.705 0.04 . 1 . . . . A 34 PHE CA . 30515 1 95 . 1 1 12 12 PHE CB C 13 38.633 0.1 . 1 . . . . A 34 PHE CB . 30515 1 96 . 1 1 12 12 PHE N N 15 113.898 0.03 . 1 . . . . A 34 PHE N . 30515 1 97 . 1 1 13 13 ASP H H 1 6.785 0 . 1 . . . . A 35 ASP H . 30515 1 98 . 1 1 13 13 ASP HA H 1 5.263 0.01 . 1 . . . . A 35 ASP HA . 30515 1 99 . 1 1 13 13 ASP HB2 H 1 2.533 0 . 1 . . . . A 35 ASP HB2 . 30515 1 100 . 1 1 13 13 ASP HB3 H 1 1.972 0.01 . 1 . . . . A 35 ASP HB3 . 30515 1 101 . 1 1 13 13 ASP CA C 13 48.43 0.07 . 1 . . . . A 35 ASP CA . 30515 1 102 . 1 1 13 13 ASP CB C 13 40.842 0.03 . 1 . . . . A 35 ASP CB . 30515 1 103 . 1 1 13 13 ASP N N 15 115.078 0.03 . 1 . . . . A 35 ASP N . 30515 1 104 . 1 1 14 14 PRO HA H 1 4.379 0.01 . 1 . . . . A 36 PRO HA . 30515 1 105 . 1 1 14 14 PRO HB2 H 1 2.792 0 . 1 . . . . A 36 PRO HB2 . 30515 1 106 . 1 1 14 14 PRO HB3 H 1 2.784 0.03 . 1 . . . . A 36 PRO HB3 . 30515 1 107 . 1 1 14 14 PRO HG2 H 1 2.032 0.03 . 1 . . . . A 36 PRO HG2 . 30515 1 108 . 1 1 14 14 PRO HG3 H 1 2.007 0 . 1 . . . . A 36 PRO HG3 . 30515 1 109 . 1 1 14 14 PRO HD2 H 1 3.979 0 . 1 . . . . A 36 PRO HD2 . 30515 1 110 . 1 1 14 14 PRO HD3 H 1 3.398 0 . 1 . . . . A 36 PRO HD3 . 30515 1 111 . 1 1 14 14 PRO CA C 13 62.366 0.16 . 1 . . . . A 36 PRO CA . 30515 1 112 . 1 1 14 14 PRO CB C 13 29.126 0.08 . 1 . . . . A 36 PRO CB . 30515 1 113 . 1 1 14 14 PRO CG C 13 24.578 0 . 1 . . . . A 36 PRO CG . 30515 1 114 . 1 1 14 14 PRO CD C 13 48.513 0.03 . 1 . . . . A 36 PRO CD . 30515 1 115 . 1 1 15 15 ASP H H 1 7.285 0.02 . 1 . . . . A 37 ASP H . 30515 1 116 . 1 1 15 15 ASP HA H 1 4.637 0 . 1 . . . . A 37 ASP HA . 30515 1 117 . 1 1 15 15 ASP HB2 H 1 3.078 0.01 . 1 . . . . A 37 ASP HB2 . 30515 1 118 . 1 1 15 15 ASP HB3 H 1 2.641 0.01 . 1 . . . . A 37 ASP HB3 . 30515 1 119 . 1 1 15 15 ASP CA C 13 49.921 0.02 . 1 . . . . A 37 ASP CA . 30515 1 120 . 1 1 15 15 ASP CB C 13 36.236 0.1 . 1 . . . . A 37 ASP CB . 30515 1 121 . 1 1 15 15 ASP N N 15 111.889 0.05 . 1 . . . . A 37 ASP N . 30515 1 122 . 1 1 16 16 LYS H H 1 7.876 0 . 1 . . . . A 38 LYS H . 30515 1 123 . 1 1 16 16 LYS HA H 1 3.861 0 . 1 . . . . A 38 LYS HA . 30515 1 124 . 1 1 16 16 LYS HB2 H 1 1.909 0.01 . 1 . . . . A 38 LYS HB2 . 30515 1 125 . 1 1 16 16 LYS HG2 H 1 1.302 0.01 . 1 . . . . A 38 LYS HG2 . 30515 1 126 . 1 1 16 16 LYS HD2 H 1 1.629 0 . 1 . . . . A 38 LYS HD2 . 30515 1 127 . 1 1 16 16 LYS HE2 H 1 2.954 0 . 1 . . . . A 38 LYS HE2 . 30515 1 128 . 1 1 16 16 LYS CA C 13 55.194 0.04 . 1 . . . . A 38 LYS CA . 30515 1 129 . 1 1 16 16 LYS CB C 13 26.452 0.01 . 1 . . . . A 38 LYS CB . 30515 1 130 . 1 1 16 16 LYS CG C 13 22.176 0.09 . 1 . . . . A 38 LYS CG . 30515 1 131 . 1 1 16 16 LYS CE C 13 39.602 0 . 1 . . . . A 38 LYS CE . 30515 1 132 . 1 1 16 16 LYS N N 15 113.657 0.02 . 1 . . . . A 38 LYS N . 30515 1 133 . 1 1 17 17 ASP H H 1 8.185 0 . 1 . . . . A 39 ASP H . 30515 1 134 . 1 1 17 17 ASP HA H 1 4.56 0 . 1 . . . . A 39 ASP HA . 30515 1 135 . 1 1 17 17 ASP HB2 H 1 2.94 0.01 . 1 . . . . A 39 ASP HB2 . 30515 1 136 . 1 1 17 17 ASP HB3 H 1 2.506 0.01 . 1 . . . . A 39 ASP HB3 . 30515 1 137 . 1 1 17 17 ASP CA C 13 51.255 0.05 . 1 . . . . A 39 ASP CA . 30515 1 138 . 1 1 17 17 ASP CB C 13 37.057 0.13 . 1 . . . . A 39 ASP CB . 30515 1 139 . 1 1 17 17 ASP N N 15 117.45 0.05 . 1 . . . . A 39 ASP N . 30515 1 140 . 1 1 18 18 GLY H H 1 9.83 0 . 1 . . . . A 40 GLY H . 30515 1 141 . 1 1 18 18 GLY HA2 H 1 4.352 0.01 . 1 . . . . A 40 GLY HA2 . 30515 1 142 . 1 1 18 18 GLY HA3 H 1 3.459 0.01 . 1 . . . . A 40 GLY HA3 . 30515 1 143 . 1 1 18 18 GLY CA C 13 42.274 0.04 . 1 . . . . A 40 GLY CA . 30515 1 144 . 1 1 18 18 GLY N N 15 111.188 0.04 . 1 . . . . A 40 GLY N . 30515 1 145 . 1 1 19 19 THR H H 1 7.613 0 . 1 . . . . A 41 THR H . 30515 1 146 . 1 1 19 19 THR HA H 1 5.017 0.02 . 1 . . . . A 41 THR HA . 30515 1 147 . 1 1 19 19 THR HB H 1 3.858 0.01 . 1 . . . . A 41 THR HB . 30515 1 148 . 1 1 19 19 THR HG1 H 1 4.778 0 . 1 . . . . A 41 THR HG1 . 30515 1 149 . 1 1 19 19 THR HG21 H 1 1.004 0 . 1 . . . . A 41 THR HG21 . 30515 1 150 . 1 1 19 19 THR HG22 H 1 1.004 0 . 1 . . . . A 41 THR HG22 . 30515 1 151 . 1 1 19 19 THR HG23 H 1 1.004 0 . 1 . . . . A 41 THR HG23 . 30515 1 152 . 1 1 19 19 THR CA C 13 56.553 0.03 . 1 . . . . A 41 THR CA . 30515 1 153 . 1 1 19 19 THR CB C 13 71.966 0.09 . 1 . . . . A 41 THR CB . 30515 1 154 . 1 1 19 19 THR CG2 C 13 18.624 0.05 . 1 . . . . A 41 THR CG2 . 30515 1 155 . 1 1 19 19 THR N N 15 106.228 0.02 . 1 . . . . A 41 THR N . 30515 1 156 . 1 1 20 20 ILE H H 1 9.555 0.02 . 1 . . . . A 42 ILE H . 30515 1 157 . 1 1 20 20 ILE HA H 1 4.934 0 . 1 . . . . A 42 ILE HA . 30515 1 158 . 1 1 20 20 ILE HB H 1 1.769 0 . 1 . . . . A 42 ILE HB . 30515 1 159 . 1 1 20 20 ILE HG12 H 1 1.555 0 . 1 . . . . A 42 ILE HG12 . 30515 1 160 . 1 1 20 20 ILE HG13 H 1 1.172 0.01 . 1 . . . . A 42 ILE HG13 . 30515 1 161 . 1 1 20 20 ILE HG21 H 1 1.558 0.01 . 1 . . . . A 42 ILE HG21 . 30515 1 162 . 1 1 20 20 ILE HG22 H 1 1.558 0.01 . 1 . . . . A 42 ILE HG22 . 30515 1 163 . 1 1 20 20 ILE HG23 H 1 1.558 0.01 . 1 . . . . A 42 ILE HG23 . 30515 1 164 . 1 1 20 20 ILE HD11 H 1 0.821 0.03 . 1 . . . . A 42 ILE HD11 . 30515 1 165 . 1 1 20 20 ILE HD12 H 1 0.821 0.03 . 1 . . . . A 42 ILE HD12 . 30515 1 166 . 1 1 20 20 ILE HD13 H 1 0.821 0.03 . 1 . . . . A 42 ILE HD13 . 30515 1 167 . 1 1 20 20 ILE CA C 13 57.584 0.04 . 1 . . . . A 42 ILE CA . 30515 1 168 . 1 1 20 20 ILE CB C 13 38.525 0.06 . 1 . . . . A 42 ILE CB . 30515 1 169 . 1 1 20 20 ILE CG1 C 13 14.281 0.07 . 1 . . . . A 42 ILE CG1 . 30515 1 170 . 1 1 20 20 ILE CG2 C 13 23.627 0 . 1 . . . . A 42 ILE CG2 . 30515 1 171 . 1 1 20 20 ILE CD1 C 13 13.819 0 . 1 . . . . A 42 ILE CD1 . 30515 1 172 . 1 1 20 20 ILE N N 15 128.127 0.45 . 1 . . . . A 42 ILE N . 30515 1 173 . 1 1 21 21 ASP H H 1 9.483 0.01 . 1 . . . . A 43 ASP H . 30515 1 174 . 1 1 21 21 ASP HA H 1 5.403 0 . 1 . . . . A 43 ASP HA . 30515 1 175 . 1 1 21 21 ASP HB2 H 1 3.161 0 . 1 . . . . A 43 ASP HB2 . 30515 1 176 . 1 1 21 21 ASP HB3 H 1 2.693 0.01 . 1 . . . . A 43 ASP HB3 . 30515 1 177 . 1 1 21 21 ASP CA C 13 49.372 0.02 . 1 . . . . A 43 ASP CA . 30515 1 178 . 1 1 21 21 ASP CB C 13 38.658 0.03 . 1 . . . . A 43 ASP CB . 30515 1 179 . 1 1 21 21 ASP N N 15 129.569 0.02 . 1 . . . . A 43 ASP N . 30515 1 180 . 1 1 22 22 LEU H H 1 8.072 0 . 1 . . . . A 44 LEU H . 30515 1 181 . 1 1 22 22 LEU HA H 1 2.889 0 . 1 . . . . A 44 LEU HA . 30515 1 182 . 1 1 22 22 LEU HB2 H 1 1.401 0.01 . 1 . . . . A 44 LEU HB2 . 30515 1 183 . 1 1 22 22 LEU HB3 H 1 0.7 0 . 1 . . . . A 44 LEU HB3 . 30515 1 184 . 1 1 22 22 LEU HG H 1 1.204 0 . 1 . . . . A 44 LEU HG . 30515 1 185 . 1 1 22 22 LEU HD11 H 1 0.647 0 . 1 . . . . A 44 LEU HD11 . 30515 1 186 . 1 1 22 22 LEU HD12 H 1 0.647 0 . 1 . . . . A 44 LEU HD12 . 30515 1 187 . 1 1 22 22 LEU HD13 H 1 0.647 0 . 1 . . . . A 44 LEU HD13 . 30515 1 188 . 1 1 22 22 LEU HD21 H 1 0.287 0 . 1 . . . . A 44 LEU HD21 . 30515 1 189 . 1 1 22 22 LEU HD22 H 1 0.287 0 . 1 . . . . A 44 LEU HD22 . 30515 1 190 . 1 1 22 22 LEU HD23 H 1 0.287 0 . 1 . . . . A 44 LEU HD23 . 30515 1 191 . 1 1 22 22 LEU CA C 13 55.567 0.03 . 1 . . . . A 44 LEU CA . 30515 1 192 . 1 1 22 22 LEU CB C 13 38.155 0.06 . 1 . . . . A 44 LEU CB . 30515 1 193 . 1 1 22 22 LEU CG C 13 23.771 0.09 . 1 . . . . A 44 LEU CG . 30515 1 194 . 1 1 22 22 LEU CD1 C 13 22.927 0.1 . 1 . . . . A 44 LEU CD1 . 30515 1 195 . 1 1 22 22 LEU CD2 C 13 19.702 0.03 . 1 . . . . A 44 LEU CD2 . 30515 1 196 . 1 1 22 22 LEU N N 15 119.453 0.04 . 1 . . . . A 44 LEU N . 30515 1 197 . 1 1 23 23 LYS H H 1 7.709 0 . 1 . . . . A 45 LYS H . 30515 1 198 . 1 1 23 23 LYS HA H 1 3.753 0 . 1 . . . . A 45 LYS HA . 30515 1 199 . 1 1 23 23 LYS HB2 H 1 1.825 0.01 . 1 . . . . A 45 LYS HB2 . 30515 1 200 . 1 1 23 23 LYS HG2 H 1 1.372 0.01 . 1 . . . . A 45 LYS HG2 . 30515 1 201 . 1 1 23 23 LYS HG3 H 1 1.372 0 . 1 . . . . A 45 LYS HG3 . 30515 1 202 . 1 1 23 23 LYS HD2 H 1 1.618 0 . 1 . . . . A 45 LYS HD2 . 30515 1 203 . 1 1 23 23 LYS HE2 H 1 2.933 0 . 1 . . . . A 45 LYS HE2 . 30515 1 204 . 1 1 23 23 LYS CA C 13 57.592 0.04 . 1 . . . . A 45 LYS CA . 30515 1 205 . 1 1 23 23 LYS CB C 13 28.924 0.11 . 1 . . . . A 45 LYS CB . 30515 1 206 . 1 1 23 23 LYS CG C 13 22.626 0.16 . 1 . . . . A 45 LYS CG . 30515 1 207 . 1 1 23 23 LYS CD C 13 26.532 0 . 1 . . . . A 45 LYS CD . 30515 1 208 . 1 1 23 23 LYS CE C 13 39.598 0.03 . 1 . . . . A 45 LYS CE . 30515 1 209 . 1 1 23 23 LYS N N 15 118.248 0.07 . 1 . . . . A 45 LYS N . 30515 1 210 . 1 1 24 24 GLU H H 1 9.035 0 . 1 . . . . A 46 GLU H . 30515 1 211 . 1 1 24 24 GLU HA H 1 4.008 0 . 1 . . . . A 46 GLU HA . 30515 1 212 . 1 1 24 24 GLU HB2 H 1 2.664 0 . 1 . . . . A 46 GLU HB2 . 30515 1 213 . 1 1 24 24 GLU HB3 H 1 2.422 0 . 1 . . . . A 46 GLU HB3 . 30515 1 214 . 1 1 24 24 GLU HG2 H 1 2.214 0.02 . 1 . . . . A 46 GLU HG2 . 30515 1 215 . 1 1 24 24 GLU CA C 13 56.68 0.04 . 1 . . . . A 46 GLU CA . 30515 1 216 . 1 1 24 24 GLU CB C 13 26.165 0.03 . 1 . . . . A 46 GLU CB . 30515 1 217 . 1 1 24 24 GLU CG C 13 34.966 0.04 . 1 . . . . A 46 GLU CG . 30515 1 218 . 1 1 24 24 GLU N N 15 121.251 0.04 . 1 . . . . A 46 GLU N . 30515 1 219 . 1 1 25 25 ALA H H 1 8.651 0 . 1 . . . . A 47 ALA H . 30515 1 220 . 1 1 25 25 ALA HA H 1 3.977 0 . 1 . . . . A 47 ALA HA . 30515 1 221 . 1 1 25 25 ALA HB1 H 1 1.372 0.01 . 1 . . . . A 47 ALA HB1 . 30515 1 222 . 1 1 25 25 ALA HB2 H 1 1.372 0.01 . 1 . . . . A 47 ALA HB2 . 30515 1 223 . 1 1 25 25 ALA HB3 H 1 1.372 0.01 . 1 . . . . A 47 ALA HB3 . 30515 1 224 . 1 1 25 25 ALA CA C 13 53.063 0.07 . 1 . . . . A 47 ALA CA . 30515 1 225 . 1 1 25 25 ALA CB C 13 15.366 0.01 . 1 . . . . A 47 ALA CB . 30515 1 226 . 1 1 25 25 ALA N N 15 124.534 0.03 . 1 . . . . A 47 ALA N . 30515 1 227 . 1 1 26 26 LEU H H 1 8.966 0.01 . 1 . . . . A 48 LEU H . 30515 1 228 . 1 1 26 26 LEU HA H 1 3.939 0.01 . 1 . . . . A 48 LEU HA . 30515 1 229 . 1 1 26 26 LEU HB2 H 1 1.836 0.01 . 1 . . . . A 48 LEU HB2 . 30515 1 230 . 1 1 26 26 LEU HG H 1 1.336 0 . 1 . . . . A 48 LEU HG . 30515 1 231 . 1 1 26 26 LEU HD11 H 1 0.746 0 . 1 . . . . A 48 LEU HD11 . 30515 1 232 . 1 1 26 26 LEU HD12 H 1 0.746 0 . 1 . . . . A 48 LEU HD12 . 30515 1 233 . 1 1 26 26 LEU HD13 H 1 0.746 0 . 1 . . . . A 48 LEU HD13 . 30515 1 234 . 1 1 26 26 LEU HD21 H 1 0.296 0 . 1 . . . . A 48 LEU HD21 . 30515 1 235 . 1 1 26 26 LEU HD22 H 1 0.296 0 . 1 . . . . A 48 LEU HD22 . 30515 1 236 . 1 1 26 26 LEU HD23 H 1 0.296 0 . 1 . . . . A 48 LEU HD23 . 30515 1 237 . 1 1 26 26 LEU CA C 13 55.207 0.04 . 1 . . . . A 48 LEU CA . 30515 1 238 . 1 1 26 26 LEU CB C 13 38.376 0.07 . 1 . . . . A 48 LEU CB . 30515 1 239 . 1 1 26 26 LEU CG C 13 23.155 0 . 1 . . . . A 48 LEU CG . 30515 1 240 . 1 1 26 26 LEU CD1 C 13 20.646 0 . 1 . . . . A 48 LEU CD1 . 30515 1 241 . 1 1 26 26 LEU CD2 C 13 19.137 0 . 1 . . . . A 48 LEU CD2 . 30515 1 242 . 1 1 26 26 LEU N N 15 117.776 0.04 . 1 . . . . A 48 LEU N . 30515 1 243 . 1 1 27 27 ALA H H 1 8.301 0.01 . 1 . . . . A 49 ALA H . 30515 1 244 . 1 1 27 27 ALA HA H 1 4.146 0 . 1 . . . . A 49 ALA HA . 30515 1 245 . 1 1 27 27 ALA HB1 H 1 1.522 0 . 1 . . . . A 49 ALA HB1 . 30515 1 246 . 1 1 27 27 ALA HB2 H 1 1.522 0 . 1 . . . . A 49 ALA HB2 . 30515 1 247 . 1 1 27 27 ALA HB3 H 1 1.522 0 . 1 . . . . A 49 ALA HB3 . 30515 1 248 . 1 1 27 27 ALA CA C 13 52.605 0.03 . 1 . . . . A 49 ALA CA . 30515 1 249 . 1 1 27 27 ALA CB C 13 15.309 0.03 . 1 . . . . A 49 ALA CB . 30515 1 250 . 1 1 27 27 ALA N N 15 123.813 0.02 . 1 . . . . A 49 ALA N . 30515 1 251 . 1 1 28 28 ALA H H 1 7.841 0 . 1 . . . . A 50 ALA H . 30515 1 252 . 1 1 28 28 ALA HA H 1 4.357 0 . 1 . . . . A 50 ALA HA . 30515 1 253 . 1 1 28 28 ALA HB1 H 1 1.895 0 . 1 . . . . A 50 ALA HB1 . 30515 1 254 . 1 1 28 28 ALA HB2 H 1 1.895 0 . 1 . . . . A 50 ALA HB2 . 30515 1 255 . 1 1 28 28 ALA HB3 H 1 1.895 0 . 1 . . . . A 50 ALA HB3 . 30515 1 256 . 1 1 28 28 ALA CA C 13 52.393 0.03 . 1 . . . . A 50 ALA CA . 30515 1 257 . 1 1 28 28 ALA CB C 13 15.785 0.03 . 1 . . . . A 50 ALA CB . 30515 1 258 . 1 1 28 28 ALA N N 15 122.316 0.02 . 1 . . . . A 50 ALA N . 30515 1 259 . 1 1 29 29 GLY H H 1 9.023 0 . 1 . . . . A 51 GLY H . 30515 1 260 . 1 1 29 29 GLY HA2 H 1 4.022 0.01 . 1 . . . . A 51 GLY HA2 . 30515 1 261 . 1 1 29 29 GLY HA3 H 1 3.551 0.01 . 1 . . . . A 51 GLY HA3 . 30515 1 262 . 1 1 29 29 GLY CA C 13 45.277 0.02 . 1 . . . . A 51 GLY CA . 30515 1 263 . 1 1 29 29 GLY N N 15 105.942 0.05 . 1 . . . . A 51 GLY N . 30515 1 264 . 1 1 30 30 SER H H 1 8.554 0.01 . 1 . . . . A 52 SER H . 30515 1 265 . 1 1 30 30 SER HA H 1 3.974 0.02 . 1 . . . . A 52 SER HA . 30515 1 266 . 1 1 30 30 SER HB2 H 1 3.548 0 . 1 . . . . A 52 SER HB2 . 30515 1 267 . 1 1 30 30 SER HB3 H 1 3.548 0 . 1 . . . . A 52 SER HB3 . 30515 1 268 . 1 1 30 30 SER CA C 13 59.099 0.04 . 1 . . . . A 52 SER CA . 30515 1 269 . 1 1 30 30 SER CB C 13 60.595 0.01 . 1 . . . . A 52 SER CB . 30515 1 270 . 1 1 30 30 SER N N 15 116.585 0.03 . 1 . . . . A 52 SER N . 30515 1 271 . 1 1 31 31 ALA H H 1 7.487 0 . 1 . . . . A 53 ALA H . 30515 1 272 . 1 1 31 31 ALA HA H 1 4.14 0 . 1 . . . . A 53 ALA HA . 30515 1 273 . 1 1 31 31 ALA HB1 H 1 1.205 0 . 1 . . . . A 53 ALA HB1 . 30515 1 274 . 1 1 31 31 ALA HB2 H 1 1.205 0 . 1 . . . . A 53 ALA HB2 . 30515 1 275 . 1 1 31 31 ALA HB3 H 1 1.205 0 . 1 . . . . A 53 ALA HB3 . 30515 1 276 . 1 1 31 31 ALA CA C 13 51.912 0.02 . 1 . . . . A 53 ALA CA . 30515 1 277 . 1 1 31 31 ALA CB C 13 14.968 0.05 . 1 . . . . A 53 ALA CB . 30515 1 278 . 1 1 31 31 ALA N N 15 121.636 0.03 . 1 . . . . A 53 ALA N . 30515 1 279 . 1 1 32 32 ALA H H 1 8.538 0 . 1 . . . . A 54 ALA H . 30515 1 280 . 1 1 32 32 ALA HA H 1 3.854 0.01 . 1 . . . . A 54 ALA HA . 30515 1 281 . 1 1 32 32 ALA HB1 H 1 1.536 0 . 1 . . . . A 54 ALA HB1 . 30515 1 282 . 1 1 32 32 ALA HB2 H 1 1.536 0 . 1 . . . . A 54 ALA HB2 . 30515 1 283 . 1 1 32 32 ALA HB3 H 1 1.536 0 . 1 . . . . A 54 ALA HB3 . 30515 1 284 . 1 1 32 32 ALA CA C 13 53.041 0 . 1 . . . . A 54 ALA CA . 30515 1 285 . 1 1 32 32 ALA CB C 13 15.232 0.05 . 1 . . . . A 54 ALA CB . 30515 1 286 . 1 1 32 32 ALA N N 15 121.715 0.03 . 1 . . . . A 54 ALA N . 30515 1 287 . 1 1 33 33 PHE H H 1 8.245 0 . 1 . . . . A 55 PHE H . 30515 1 288 . 1 1 33 33 PHE HA H 1 3.201 0 . 1 . . . . A 55 PHE HA . 30515 1 289 . 1 1 33 33 PHE HB2 H 1 3.268 0.01 . 1 . . . . A 55 PHE HB2 . 30515 1 290 . 1 1 33 33 PHE HB3 H 1 2.736 0 . 1 . . . . A 55 PHE HB3 . 30515 1 291 . 1 1 33 33 PHE HE2 H 1 6.83 0 . 1 . . . . A 55 PHE HE2 . 30515 1 292 . 1 1 33 33 PHE CA C 13 59.175 0.03 . 1 . . . . A 55 PHE CA . 30515 1 293 . 1 1 33 33 PHE CB C 13 36.213 0.05 . 1 . . . . A 55 PHE CB . 30515 1 294 . 1 1 33 33 PHE N N 15 117.553 0.03 . 1 . . . . A 55 PHE N . 30515 1 295 . 1 1 34 34 ASP H H 1 7.541 0 . 1 . . . . A 56 ASP H . 30515 1 296 . 1 1 34 34 ASP HA H 1 4.2 0 . 1 . . . . A 56 ASP HA . 30515 1 297 . 1 1 34 34 ASP HB2 H 1 2.709 0.01 . 1 . . . . A 56 ASP HB2 . 30515 1 298 . 1 1 34 34 ASP CA C 13 54.651 0.02 . 1 . . . . A 56 ASP CA . 30515 1 299 . 1 1 34 34 ASP CB C 13 37.382 0.02 . 1 . . . . A 56 ASP CB . 30515 1 300 . 1 1 34 34 ASP N N 15 114.86 0.03 . 1 . . . . A 56 ASP N . 30515 1 301 . 1 1 35 35 LYS H H 1 7.506 0 . 1 . . . . A 57 LYS H . 30515 1 302 . 1 1 35 35 LYS HA H 1 3.959 0 . 1 . . . . A 57 LYS HA . 30515 1 303 . 1 1 35 35 LYS HB2 H 1 1.811 0 . 1 . . . . A 57 LYS HB2 . 30515 1 304 . 1 1 35 35 LYS HG2 H 1 1.457 0.01 . 1 . . . . A 57 LYS HG2 . 30515 1 305 . 1 1 35 35 LYS CA C 13 55.015 0.02 . 1 . . . . A 57 LYS CA . 30515 1 306 . 1 1 35 35 LYS CB C 13 29.647 0.06 . 1 . . . . A 57 LYS CB . 30515 1 307 . 1 1 35 35 LYS CG C 13 22.495 0.12 . 1 . . . . A 57 LYS CG . 30515 1 308 . 1 1 35 35 LYS CD C 13 26.154 0 . 1 . . . . A 57 LYS CD . 30515 1 309 . 1 1 35 35 LYS N N 15 118.908 0.04 . 1 . . . . A 57 LYS N . 30515 1 310 . 1 1 36 36 LEU H H 1 7.779 0 . 1 . . . . A 58 LEU H . 30515 1 311 . 1 1 36 36 LEU HA H 1 4.049 0 . 1 . . . . A 58 LEU HA . 30515 1 312 . 1 1 36 36 LEU HB2 H 1 1.528 0 . 1 . . . . A 58 LEU HB2 . 30515 1 313 . 1 1 36 36 LEU HB3 H 1 1.215 0 . 1 . . . . A 58 LEU HB3 . 30515 1 314 . 1 1 36 36 LEU HG H 1 1.572 0 . 1 . . . . A 58 LEU HG . 30515 1 315 . 1 1 36 36 LEU HD11 H 1 0.755 0 . 1 . . . . A 58 LEU HD11 . 30515 1 316 . 1 1 36 36 LEU HD12 H 1 0.755 0 . 1 . . . . A 58 LEU HD12 . 30515 1 317 . 1 1 36 36 LEU HD13 H 1 0.755 0 . 1 . . . . A 58 LEU HD13 . 30515 1 318 . 1 1 36 36 LEU HD21 H 1 0.484 0 . 1 . . . . A 58 LEU HD21 . 30515 1 319 . 1 1 36 36 LEU HD22 H 1 0.484 0 . 1 . . . . A 58 LEU HD22 . 30515 1 320 . 1 1 36 36 LEU HD23 H 1 0.484 0 . 1 . . . . A 58 LEU HD23 . 30515 1 321 . 1 1 36 36 LEU CA C 13 52.184 0.02 . 1 . . . . A 58 LEU CA . 30515 1 322 . 1 1 36 36 LEU CB C 13 40.609 0.03 . 1 . . . . A 58 LEU CB . 30515 1 323 . 1 1 36 36 LEU CG C 13 24.087 0 . 1 . . . . A 58 LEU CG . 30515 1 324 . 1 1 36 36 LEU CD1 C 13 21.34 1.35 . 1 . . . . A 58 LEU CD1 . 30515 1 325 . 1 1 36 36 LEU CD2 C 13 22.722 0.02 . 1 . . . . A 58 LEU CD2 . 30515 1 326 . 1 1 36 36 LEU N N 15 119.293 0.04 . 1 . . . . A 58 LEU N . 30515 1 327 . 1 1 37 37 ASP H H 1 6.728 0.01 . 1 . . . . A 59 ASP H . 30515 1 328 . 1 1 37 37 ASP HA H 1 5.26 0 . 1 . . . . A 59 ASP HA . 30515 1 329 . 1 1 37 37 ASP HB2 H 1 2.516 0.01 . 1 . . . . A 59 ASP HB2 . 30515 1 330 . 1 1 37 37 ASP HB3 H 1 1.743 0.01 . 1 . . . . A 59 ASP HB3 . 30515 1 331 . 1 1 37 37 ASP CA C 13 49.053 0.04 . 1 . . . . A 59 ASP CA . 30515 1 332 . 1 1 37 37 ASP CB C 13 38.713 0.22 . 1 . . . . A 59 ASP CB . 30515 1 333 . 1 1 37 37 ASP N N 15 115.964 0.04 . 1 . . . . A 59 ASP N . 30515 1 334 . 1 1 38 38 PRO HA H 1 4.388 0 . 1 . . . . A 60 PRO HA . 30515 1 335 . 1 1 38 38 PRO HD2 H 1 4.138 0 . 1 . . . . A 60 PRO HD2 . 30515 1 336 . 1 1 38 38 PRO HD3 H 1 3.169 0 . 1 . . . . A 60 PRO HD3 . 30515 1 337 . 1 1 38 38 PRO CA C 13 62.509 0.11 . 1 . . . . A 60 PRO CA . 30515 1 338 . 1 1 38 38 PRO CB C 13 28.68 0.04 . 1 . . . . A 60 PRO CB . 30515 1 339 . 1 1 38 38 PRO CG C 13 24.602 0.03 . 1 . . . . A 60 PRO CG . 30515 1 340 . 1 1 38 38 PRO CD C 13 48.837 0.04 . 1 . . . . A 60 PRO CD . 30515 1 341 . 1 1 39 39 ASP H H 1 7.234 0 . 1 . . . . A 61 ASP H . 30515 1 342 . 1 1 39 39 ASP HA H 1 4.451 0 . 1 . . . . A 61 ASP HA . 30515 1 343 . 1 1 39 39 ASP HB2 H 1 2.982 0 . 1 . . . . A 61 ASP HB2 . 30515 1 344 . 1 1 39 39 ASP HB3 H 1 2.652 0.01 . 1 . . . . A 61 ASP HB3 . 30515 1 345 . 1 1 39 39 ASP CA C 13 50.171 0.02 . 1 . . . . A 61 ASP CA . 30515 1 346 . 1 1 39 39 ASP CB C 13 35.863 0.06 . 1 . . . . A 61 ASP CB . 30515 1 347 . 1 1 39 39 ASP N N 15 113.28 0.08 . 1 . . . . A 61 ASP N . 30515 1 348 . 1 1 40 40 LYS H H 1 8.033 0 . 1 . . . . A 62 LYS H . 30515 1 349 . 1 1 40 40 LYS HA H 1 3.904 0.01 . 1 . . . . A 62 LYS HA . 30515 1 350 . 1 1 40 40 LYS HB2 H 1 1.867 0.01 . 1 . . . . A 62 LYS HB2 . 30515 1 351 . 1 1 40 40 LYS HG2 H 1 1.345 0.01 . 1 . . . . A 62 LYS HG2 . 30515 1 352 . 1 1 40 40 LYS HE2 H 1 2.944 0.03 . 1 . . . . A 62 LYS HE2 . 30515 1 353 . 1 1 40 40 LYS CA C 13 54.553 0.02 . 1 . . . . A 62 LYS CA . 30515 1 354 . 1 1 40 40 LYS CB C 13 26.65 0.17 . 1 . . . . A 62 LYS CB . 30515 1 355 . 1 1 40 40 LYS CG C 13 22.159 0.15 . 1 . . . . A 62 LYS CG . 30515 1 356 . 1 1 40 40 LYS N N 15 114.714 0.02 . 1 . . . . A 62 LYS N . 30515 1 357 . 1 1 41 41 ASP H H 1 7.926 0 . 1 . . . . A 63 ASP H . 30515 1 358 . 1 1 41 41 ASP HA H 1 4.623 0.01 . 1 . . . . A 63 ASP HA . 30515 1 359 . 1 1 41 41 ASP HB2 H 1 2.976 0.02 . 1 . . . . A 63 ASP HB2 . 30515 1 360 . 1 1 41 41 ASP HB3 H 1 2.486 0.01 . 1 . . . . A 63 ASP HB3 . 30515 1 361 . 1 1 41 41 ASP CA C 13 50.671 0.03 . 1 . . . . A 63 ASP CA . 30515 1 362 . 1 1 41 41 ASP CB C 13 37.063 0.06 . 1 . . . . A 63 ASP CB . 30515 1 363 . 1 1 41 41 ASP N N 15 116.03 0.03 . 1 . . . . A 63 ASP N . 30515 1 364 . 1 1 42 42 GLY H H 1 9.721 0 . 1 . . . . A 64 GLY H . 30515 1 365 . 1 1 42 42 GLY HA2 H 1 4.309 0.01 . 1 . . . . A 64 GLY HA2 . 30515 1 366 . 1 1 42 42 GLY HA3 H 1 3.655 0.01 . 1 . . . . A 64 GLY HA3 . 30515 1 367 . 1 1 42 42 GLY CA C 13 42.607 0.03 . 1 . . . . A 64 GLY CA . 30515 1 368 . 1 1 42 42 GLY N N 15 110.872 0.02 . 1 . . . . A 64 GLY N . 30515 1 369 . 1 1 43 43 THR H H 1 7.784 0.01 . 1 . . . . A 65 THR H . 30515 1 370 . 1 1 43 43 THR HA H 1 5.194 0.01 . 1 . . . . A 65 THR HA . 30515 1 371 . 1 1 43 43 THR HB H 1 3.776 0 . 1 . . . . A 65 THR HB . 30515 1 372 . 1 1 43 43 THR HG21 H 1 0.996 0 . 1 . . . . A 65 THR HG21 . 30515 1 373 . 1 1 43 43 THR HG22 H 1 0.996 0 . 1 . . . . A 65 THR HG22 . 30515 1 374 . 1 1 43 43 THR HG23 H 1 0.996 0 . 1 . . . . A 65 THR HG23 . 30515 1 375 . 1 1 43 43 THR CA C 13 56.441 0.01 . 1 . . . . A 65 THR CA . 30515 1 376 . 1 1 43 43 THR CB C 13 71.252 0.04 . 1 . . . . A 65 THR CB . 30515 1 377 . 1 1 43 43 THR CG2 C 13 19.367 0.06 . 1 . . . . A 65 THR CG2 . 30515 1 378 . 1 1 43 43 THR N N 15 107.848 0.05 . 1 . . . . A 65 THR N . 30515 1 379 . 1 1 44 44 LEU H H 1 9.923 0.01 . 1 . . . . A 66 LEU H . 30515 1 380 . 1 1 44 44 LEU HA H 1 5.278 0 . 1 . . . . A 66 LEU HA . 30515 1 381 . 1 1 44 44 LEU HB2 H 1 1.824 0 . 1 . . . . A 66 LEU HB2 . 30515 1 382 . 1 1 44 44 LEU HB3 H 1 0.975 0.02 . 1 . . . . A 66 LEU HB3 . 30515 1 383 . 1 1 44 44 LEU HG H 1 0.995 0.02 . 1 . . . . A 66 LEU HG . 30515 1 384 . 1 1 44 44 LEU HD11 H 1 0.157 0.01 . 1 . . . . A 66 LEU HD11 . 30515 1 385 . 1 1 44 44 LEU HD12 H 1 0.157 0.01 . 1 . . . . A 66 LEU HD12 . 30515 1 386 . 1 1 44 44 LEU HD13 H 1 0.157 0.01 . 1 . . . . A 66 LEU HD13 . 30515 1 387 . 1 1 44 44 LEU HD21 H 1 -0.041 0 . 1 . . . . A 66 LEU HD21 . 30515 1 388 . 1 1 44 44 LEU HD22 H 1 -0.041 0 . 1 . . . . A 66 LEU HD22 . 30515 1 389 . 1 1 44 44 LEU HD23 H 1 -0.041 0 . 1 . . . . A 66 LEU HD23 . 30515 1 390 . 1 1 44 44 LEU CA C 13 50.255 0.04 . 1 . . . . A 66 LEU CA . 30515 1 391 . 1 1 44 44 LEU CB C 13 40.006 0.09 . 1 . . . . A 66 LEU CB . 30515 1 392 . 1 1 44 44 LEU CG C 13 23.081 0.12 . 1 . . . . A 66 LEU CG . 30515 1 393 . 1 1 44 44 LEU CD1 C 13 25.2 0.07 . 1 . . . . A 66 LEU CD1 . 30515 1 394 . 1 1 44 44 LEU CD2 C 13 20.981 0.08 . 1 . . . . A 66 LEU CD2 . 30515 1 395 . 1 1 44 44 LEU N N 15 127.691 0.08 . 1 . . . . A 66 LEU N . 30515 1 396 . 1 1 45 45 ASP H H 1 8.453 0 . 1 . . . . A 67 ASP H . 30515 1 397 . 1 1 45 45 ASP HA H 1 4.759 0.01 . 1 . . . . A 67 ASP HA . 30515 1 398 . 1 1 45 45 ASP HB2 H 1 3.202 0.01 . 1 . . . . A 67 ASP HB2 . 30515 1 399 . 1 1 45 45 ASP HB3 H 1 2.556 0 . 1 . . . . A 67 ASP HB3 . 30515 1 400 . 1 1 45 45 ASP CA C 13 48.237 0.04 . 1 . . . . A 67 ASP CA . 30515 1 401 . 1 1 45 45 ASP CB C 13 39.484 0.14 . 1 . . . . A 67 ASP CB . 30515 1 402 . 1 1 45 45 ASP N N 15 123.216 0.01 . 1 . . . . A 67 ASP N . 30515 1 403 . 1 1 46 46 ALA H H 1 8.528 0 . 1 . . . . A 68 ALA H . 30515 1 404 . 1 1 46 46 ALA HA H 1 3.795 0.01 . 1 . . . . A 68 ALA HA . 30515 1 405 . 1 1 46 46 ALA HB1 H 1 1.367 0.01 . 1 . . . . A 68 ALA HB1 . 30515 1 406 . 1 1 46 46 ALA HB2 H 1 1.367 0.01 . 1 . . . . A 68 ALA HB2 . 30515 1 407 . 1 1 46 46 ALA HB3 H 1 1.367 0.01 . 1 . . . . A 68 ALA HB3 . 30515 1 408 . 1 1 46 46 ALA CA C 13 53.048 0.08 . 1 . . . . A 68 ALA CA . 30515 1 409 . 1 1 46 46 ALA CB C 13 15.542 0.02 . 1 . . . . A 68 ALA CB . 30515 1 410 . 1 1 46 46 ALA N N 15 117.662 0.03 . 1 . . . . A 68 ALA N . 30515 1 411 . 1 1 47 47 LYS H H 1 7.788 0 . 1 . . . . A 69 LYS H . 30515 1 412 . 1 1 47 47 LYS HA H 1 3.999 0 . 1 . . . . A 69 LYS HA . 30515 1 413 . 1 1 47 47 LYS HB2 H 1 1.896 0 . 1 . . . . A 69 LYS HB2 . 30515 1 414 . 1 1 47 47 LYS HG2 H 1 1.391 0 . 1 . . . . A 69 LYS HG2 . 30515 1 415 . 1 1 47 47 LYS HD2 H 1 1.667 0 . 1 . . . . A 69 LYS HD2 . 30515 1 416 . 1 1 47 47 LYS HE2 H 1 2.934 0 . 1 . . . . A 69 LYS HE2 . 30515 1 417 . 1 1 47 47 LYS CA C 13 57.011 0.02 . 1 . . . . A 69 LYS CA . 30515 1 418 . 1 1 47 47 LYS CB C 13 29.003 0.03 . 1 . . . . A 69 LYS CB . 30515 1 419 . 1 1 47 47 LYS CG C 13 22.489 0 . 1 . . . . A 69 LYS CG . 30515 1 420 . 1 1 47 47 LYS CD C 13 26.547 0 . 1 . . . . A 69 LYS CD . 30515 1 421 . 1 1 47 47 LYS N N 15 117.901 0.02 . 1 . . . . A 69 LYS N . 30515 1 422 . 1 1 48 48 GLU H H 1 8.723 0 . 1 . . . . A 70 GLU H . 30515 1 423 . 1 1 48 48 GLU HA H 1 4.019 0 . 1 . . . . A 70 GLU HA . 30515 1 424 . 1 1 48 48 GLU HB2 H 1 2.375 0 . 1 . . . . A 70 GLU HB2 . 30515 1 425 . 1 1 48 48 GLU HB3 H 1 2.272 0.01 . 1 . . . . A 70 GLU HB3 . 30515 1 426 . 1 1 48 48 GLU HG2 H 1 2.823 0.01 . 1 . . . . A 70 GLU HG2 . 30515 1 427 . 1 1 48 48 GLU CA C 13 55.988 0.03 . 1 . . . . A 70 GLU CA . 30515 1 428 . 1 1 48 48 GLU CB C 13 26.092 0.04 . 1 . . . . A 70 GLU CB . 30515 1 429 . 1 1 48 48 GLU CG C 13 35.051 0.01 . 1 . . . . A 70 GLU CG . 30515 1 430 . 1 1 48 48 GLU N N 15 121.49 0.04 . 1 . . . . A 70 GLU N . 30515 1 431 . 1 1 49 49 LEU H H 1 7.779 0 . 1 . . . . A 71 LEU H . 30515 1 432 . 1 1 49 49 LEU HA H 1 4.188 0 . 1 . . . . A 71 LEU HA . 30515 1 433 . 1 1 49 49 LEU HB2 H 1 1.95 0 . 1 . . . . A 71 LEU HB2 . 30515 1 434 . 1 1 49 49 LEU HB3 H 1 1.631 0 . 1 . . . . A 71 LEU HB3 . 30515 1 435 . 1 1 49 49 LEU HD11 H 1 0.897 0 . 1 . . . . A 71 LEU HD11 . 30515 1 436 . 1 1 49 49 LEU HD12 H 1 0.897 0 . 1 . . . . A 71 LEU HD12 . 30515 1 437 . 1 1 49 49 LEU HD13 H 1 0.897 0 . 1 . . . . A 71 LEU HD13 . 30515 1 438 . 1 1 49 49 LEU HD21 H 1 0.677 0.01 . 1 . . . . A 71 LEU HD21 . 30515 1 439 . 1 1 49 49 LEU HD22 H 1 0.677 0.01 . 1 . . . . A 71 LEU HD22 . 30515 1 440 . 1 1 49 49 LEU HD23 H 1 0.677 0.01 . 1 . . . . A 71 LEU HD23 . 30515 1 441 . 1 1 49 49 LEU CA C 13 51.899 0.01 . 1 . . . . A 71 LEU CA . 30515 1 442 . 1 1 49 49 LEU CB C 13 40.057 0.04 . 1 . . . . A 71 LEU CB . 30515 1 443 . 1 1 49 49 LEU CD1 C 13 20.942 0.05 . 1 . . . . A 71 LEU CD1 . 30515 1 444 . 1 1 49 49 LEU CD2 C 13 23.719 0.16 . 1 . . . . A 71 LEU CD2 . 30515 1 445 . 1 1 49 49 LEU N N 15 116.085 0.02 . 1 . . . . A 71 LEU N . 30515 1 446 . 1 1 50 50 LYS H H 1 7.24 0 . 1 . . . . A 72 LYS H . 30515 1 447 . 1 1 50 50 LYS HA H 1 4.066 0 . 1 . . . . A 72 LYS HA . 30515 1 448 . 1 1 50 50 LYS CA C 13 56.254 0 . 1 . . . . A 72 LYS CA . 30515 1 449 . 1 1 50 50 LYS CB C 13 29.49 0 . 1 . . . . A 72 LYS CB . 30515 1 450 . 1 1 50 50 LYS N N 15 123.589 0.02 . 1 . . . . A 72 LYS N . 30515 1 451 . 1 1 51 51 GLY CA C 13 42.645 0.01 . 1 . . . . A 73 GLY CA . 30515 1 452 . 1 1 52 52 ARG H H 1 8.485 0 . 1 . . . . A 74 ARG H . 30515 1 453 . 1 1 52 52 ARG HA H 1 4.555 0 . 1 . . . . A 74 ARG HA . 30515 1 454 . 1 1 52 52 ARG HB2 H 1 1.709 0.01 . 1 . . . . A 74 ARG HB2 . 30515 1 455 . 1 1 52 52 ARG HB3 H 1 1.576 0 . 1 . . . . A 74 ARG HB3 . 30515 1 456 . 1 1 52 52 ARG HG2 H 1 1.54 0.01 . 1 . . . . A 74 ARG HG2 . 30515 1 457 . 1 1 52 52 ARG CA C 13 54.533 0.03 . 1 . . . . A 74 ARG CA . 30515 1 458 . 1 1 52 52 ARG CB C 13 29.912 0.01 . 1 . . . . A 74 ARG CB . 30515 1 459 . 1 1 52 52 ARG CG C 13 24.756 0.13 . 1 . . . . A 74 ARG CG . 30515 1 460 . 1 1 52 52 ARG N N 15 119.315 0.02 . 1 . . . . A 74 ARG N . 30515 1 461 . 1 1 53 53 VAL H H 1 7.907 0 . 1 . . . . A 75 VAL H . 30515 1 462 . 1 1 53 53 VAL HA H 1 4.375 0 . 1 . . . . A 75 VAL HA . 30515 1 463 . 1 1 53 53 VAL HB H 1 1.933 0 . 1 . . . . A 75 VAL HB . 30515 1 464 . 1 1 53 53 VAL HG11 H 1 0.847 0 . 1 . . . . A 75 VAL HG11 . 30515 1 465 . 1 1 53 53 VAL HG12 H 1 0.847 0 . 1 . . . . A 75 VAL HG12 . 30515 1 466 . 1 1 53 53 VAL HG13 H 1 0.847 0 . 1 . . . . A 75 VAL HG13 . 30515 1 467 . 1 1 53 53 VAL HG21 H 1 0.84 0.01 . 1 . . . . A 75 VAL HG21 . 30515 1 468 . 1 1 53 53 VAL HG22 H 1 0.84 0.01 . 1 . . . . A 75 VAL HG22 . 30515 1 469 . 1 1 53 53 VAL HG23 H 1 0.84 0.01 . 1 . . . . A 75 VAL HG23 . 30515 1 470 . 1 1 53 53 VAL CA C 13 58.096 0.05 . 1 . . . . A 75 VAL CA . 30515 1 471 . 1 1 53 53 VAL CB C 13 33.069 0.04 . 1 . . . . A 75 VAL CB . 30515 1 472 . 1 1 53 53 VAL CG1 C 13 18.571 0.15 . 1 . . . . A 75 VAL CG1 . 30515 1 473 . 1 1 53 53 VAL N N 15 117.435 0.02 . 1 . . . . A 75 VAL N . 30515 1 474 . 1 1 54 54 SER H H 1 9.131 0 . 1 . . . . A 76 SER H . 30515 1 475 . 1 1 54 54 SER HA H 1 4.322 0.03 . 1 . . . . A 76 SER HA . 30515 1 476 . 1 1 54 54 SER HB2 H 1 4.268 0 . 1 . . . . A 76 SER HB2 . 30515 1 477 . 1 1 54 54 SER HB3 H 1 3.981 0 . 1 . . . . A 76 SER HB3 . 30515 1 478 . 1 1 54 54 SER CA C 13 54.908 0.02 . 1 . . . . A 76 SER CA . 30515 1 479 . 1 1 54 54 SER CB C 13 62.256 0.06 . 1 . . . . A 76 SER CB . 30515 1 480 . 1 1 54 54 SER N N 15 123.219 0.02 . 1 . . . . A 76 SER N . 30515 1 481 . 1 1 55 55 GLU H H 1 8.873 0 . 1 . . . . A 77 GLU H . 30515 1 482 . 1 1 55 55 GLU HA H 1 3.838 0.01 . 1 . . . . A 77 GLU HA . 30515 1 483 . 1 1 55 55 GLU HB2 H 1 1.992 0.02 . 1 . . . . A 77 GLU HB2 . 30515 1 484 . 1 1 55 55 GLU HG2 H 1 2.321 0.02 . 1 . . . . A 77 GLU HG2 . 30515 1 485 . 1 1 55 55 GLU CA C 13 57.891 0.06 . 1 . . . . A 77 GLU CA . 30515 1 486 . 1 1 55 55 GLU CB C 13 26.618 0.06 . 1 . . . . A 77 GLU CB . 30515 1 487 . 1 1 55 55 GLU CG C 13 34.504 0.03 . 1 . . . . A 77 GLU CG . 30515 1 488 . 1 1 55 55 GLU N N 15 121.159 0.02 . 1 . . . . A 77 GLU N . 30515 1 489 . 1 1 56 56 ALA H H 1 8.211 0 . 1 . . . . A 78 ALA H . 30515 1 490 . 1 1 56 56 ALA HA H 1 4.053 0 . 1 . . . . A 78 ALA HA . 30515 1 491 . 1 1 56 56 ALA HB1 H 1 1.301 0.01 . 1 . . . . A 78 ALA HB1 . 30515 1 492 . 1 1 56 56 ALA HB2 H 1 1.301 0.01 . 1 . . . . A 78 ALA HB2 . 30515 1 493 . 1 1 56 56 ALA HB3 H 1 1.301 0.01 . 1 . . . . A 78 ALA HB3 . 30515 1 494 . 1 1 56 56 ALA CA C 13 52.11 0.01 . 1 . . . . A 78 ALA CA . 30515 1 495 . 1 1 56 56 ALA CB C 13 15.755 0.03 . 1 . . . . A 78 ALA CB . 30515 1 496 . 1 1 56 56 ALA N N 15 119.977 0.01 . 1 . . . . A 78 ALA N . 30515 1 497 . 1 1 57 57 ASP H H 1 7.627 0 . 1 . . . . A 79 ASP H . 30515 1 498 . 1 1 57 57 ASP HA H 1 4.379 0 . 1 . . . . A 79 ASP HA . 30515 1 499 . 1 1 57 57 ASP HB2 H 1 2.714 0.01 . 1 . . . . A 79 ASP HB2 . 30515 1 500 . 1 1 57 57 ASP HB3 H 1 2.445 0 . 1 . . . . A 79 ASP HB3 . 30515 1 501 . 1 1 57 57 ASP CA C 13 53.982 0.03 . 1 . . . . A 79 ASP CA . 30515 1 502 . 1 1 57 57 ASP CB C 13 37.385 0.02 . 1 . . . . A 79 ASP CB . 30515 1 503 . 1 1 57 57 ASP N N 15 119.126 0.02 . 1 . . . . A 79 ASP N . 30515 1 504 . 1 1 58 58 LEU H H 1 8.381 0 . 1 . . . . A 80 LEU H . 30515 1 505 . 1 1 58 58 LEU HA H 1 3.582 0 . 1 . . . . A 80 LEU HA . 30515 1 506 . 1 1 58 58 LEU HB2 H 1 1.511 0 . 1 . . . . A 80 LEU HB2 . 30515 1 507 . 1 1 58 58 LEU HB3 H 1 1.838 0.01 . 1 . . . . A 80 LEU HB3 . 30515 1 508 . 1 1 58 58 LEU HG H 1 1.41 0 . 1 . . . . A 80 LEU HG . 30515 1 509 . 1 1 58 58 LEU HD11 H 1 0.668 0.01 . 1 . . . . A 80 LEU HD11 . 30515 1 510 . 1 1 58 58 LEU HD12 H 1 0.668 0.01 . 1 . . . . A 80 LEU HD12 . 30515 1 511 . 1 1 58 58 LEU HD13 H 1 0.668 0.01 . 1 . . . . A 80 LEU HD13 . 30515 1 512 . 1 1 58 58 LEU HD21 H 1 0.674 0 . 1 . . . . A 80 LEU HD21 . 30515 1 513 . 1 1 58 58 LEU HD22 H 1 0.674 0 . 1 . . . . A 80 LEU HD22 . 30515 1 514 . 1 1 58 58 LEU HD23 H 1 0.674 0 . 1 . . . . A 80 LEU HD23 . 30515 1 515 . 1 1 58 58 LEU CA C 13 57.339 0.02 . 1 . . . . A 80 LEU CA . 30515 1 516 . 1 1 58 58 LEU CB C 13 39.217 0.07 . 1 . . . . A 80 LEU CB . 30515 1 517 . 1 1 58 58 LEU CG C 13 25.593 0.03 . 1 . . . . A 80 LEU CG . 30515 1 518 . 1 1 58 58 LEU CD1 C 13 22.253 0.37 . 1 . . . . A 80 LEU CD1 . 30515 1 519 . 1 1 58 58 LEU CD2 C 13 21.868 0 . 1 . . . . A 80 LEU CD2 . 30515 1 520 . 1 1 58 58 LEU N N 15 123.373 0.04 . 1 . . . . A 80 LEU N . 30515 1 521 . 1 1 59 59 LYS H H 1 7.116 0 . 1 . . . . A 81 LYS H . 30515 1 522 . 1 1 59 59 LYS HA H 1 4.102 0 . 1 . . . . A 81 LYS HA . 30515 1 523 . 1 1 59 59 LYS HB2 H 1 1.829 0.01 . 1 . . . . A 81 LYS HB2 . 30515 1 524 . 1 1 59 59 LYS HB3 H 1 1.835 0 . 1 . . . . A 81 LYS HB3 . 30515 1 525 . 1 1 59 59 LYS HG2 H 1 1.495 0 . 1 . . . . A 81 LYS HG2 . 30515 1 526 . 1 1 59 59 LYS HE2 H 1 2.953 0 . 1 . . . . A 81 LYS HE2 . 30515 1 527 . 1 1 59 59 LYS CA C 13 56.484 0.05 . 1 . . . . A 81 LYS CA . 30515 1 528 . 1 1 59 59 LYS CB C 13 29.658 0.03 . 1 . . . . A 81 LYS CB . 30515 1 529 . 1 1 59 59 LYS CG C 13 21.997 0 . 1 . . . . A 81 LYS CG . 30515 1 530 . 1 1 59 59 LYS N N 15 114.089 0.05 . 1 . . . . A 81 LYS N . 30515 1 531 . 1 1 60 60 LYS H H 1 7.124 0 . 1 . . . . A 82 LYS H . 30515 1 532 . 1 1 60 60 LYS HA H 1 4.007 0 . 1 . . . . A 82 LYS HA . 30515 1 533 . 1 1 60 60 LYS HB2 H 1 1.894 0 . 1 . . . . A 82 LYS HB2 . 30515 1 534 . 1 1 60 60 LYS HG2 H 1 1.438 0.01 . 1 . . . . A 82 LYS HG2 . 30515 1 535 . 1 1 60 60 LYS HE2 H 1 2.954 0 . 1 . . . . A 82 LYS HE2 . 30515 1 536 . 1 1 60 60 LYS CA C 13 55.87 0.25 . 1 . . . . A 82 LYS CA . 30515 1 537 . 1 1 60 60 LYS CB C 13 29.777 0.01 . 1 . . . . A 82 LYS CB . 30515 1 538 . 1 1 60 60 LYS CG C 13 22.371 0.16 . 1 . . . . A 82 LYS CG . 30515 1 539 . 1 1 60 60 LYS N N 15 116.802 0.01 . 1 . . . . A 82 LYS N . 30515 1 540 . 1 1 61 61 LEU H H 1 7.56 0 . 1 . . . . A 83 LEU H . 30515 1 541 . 1 1 61 61 LEU HA H 1 4.222 0 . 1 . . . . A 83 LEU HA . 30515 1 542 . 1 1 61 61 LEU HB2 H 1 1.663 0.01 . 1 . . . . A 83 LEU HB2 . 30515 1 543 . 1 1 61 61 LEU HB3 H 1 1.663 0.01 . 1 . . . . A 83 LEU HB3 . 30515 1 544 . 1 1 61 61 LEU HG H 1 1.797 0 . 1 . . . . A 83 LEU HG . 30515 1 545 . 1 1 61 61 LEU HD11 H 1 0.692 0 . 1 . . . . A 83 LEU HD11 . 30515 1 546 . 1 1 61 61 LEU HD12 H 1 0.692 0 . 1 . . . . A 83 LEU HD12 . 30515 1 547 . 1 1 61 61 LEU HD13 H 1 0.692 0 . 1 . . . . A 83 LEU HD13 . 30515 1 548 . 1 1 61 61 LEU HD21 H 1 0.729 0 . 1 . . . . A 83 LEU HD21 . 30515 1 549 . 1 1 61 61 LEU HD22 H 1 0.729 0 . 1 . . . . A 83 LEU HD22 . 30515 1 550 . 1 1 61 61 LEU HD23 H 1 0.729 0 . 1 . . . . A 83 LEU HD23 . 30515 1 551 . 1 1 61 61 LEU CA C 13 51.665 0.05 . 1 . . . . A 83 LEU CA . 30515 1 552 . 1 1 61 61 LEU CB C 13 40.591 0.03 . 1 . . . . A 83 LEU CB . 30515 1 553 . 1 1 61 61 LEU CG C 13 23.636 0.06 . 1 . . . . A 83 LEU CG . 30515 1 554 . 1 1 61 61 LEU CD1 C 13 22.132 0.08 . 1 . . . . A 83 LEU CD1 . 30515 1 555 . 1 1 61 61 LEU CD2 C 13 19.421 0.11 . 1 . . . . A 83 LEU CD2 . 30515 1 556 . 1 1 61 61 LEU N N 15 117.737 0.04 . 1 . . . . A 83 LEU N . 30515 1 557 . 1 1 62 62 ASP H H 1 6.957 0.01 . 1 . . . . A 84 ASP H . 30515 1 558 . 1 1 62 62 ASP HA H 1 5.098 0 . 1 . . . . A 84 ASP HA . 30515 1 559 . 1 1 62 62 ASP HB2 H 1 2.834 0 . 1 . . . . A 84 ASP HB2 . 30515 1 560 . 1 1 62 62 ASP HB3 H 1 2.243 0 . 1 . . . . A 84 ASP HB3 . 30515 1 561 . 1 1 62 62 ASP CA C 13 48.779 0.02 . 1 . . . . A 84 ASP CA . 30515 1 562 . 1 1 62 62 ASP CB C 13 40.102 0 . 1 . . . . A 84 ASP CB . 30515 1 563 . 1 1 62 62 ASP N N 15 117.542 0.02 . 1 . . . . A 84 ASP N . 30515 1 564 . 1 1 63 63 PRO HA H 1 4.354 0.02 . 1 . . . . A 85 PRO HA . 30515 1 565 . 1 1 63 63 PRO HB2 H 1 2.267 0.01 . 1 . . . . A 85 PRO HB2 . 30515 1 566 . 1 1 63 63 PRO HG2 H 1 1.984 0.01 . 1 . . . . A 85 PRO HG2 . 30515 1 567 . 1 1 63 63 PRO HD2 H 1 4.098 0.01 . 1 . . . . A 85 PRO HD2 . 30515 1 568 . 1 1 63 63 PRO HD3 H 1 3.622 0 . 1 . . . . A 85 PRO HD3 . 30515 1 569 . 1 1 63 63 PRO CA C 13 62.138 0.01 . 1 . . . . A 85 PRO CA . 30515 1 570 . 1 1 63 63 PRO CB C 13 29.2 0 . 1 . . . . A 85 PRO CB . 30515 1 571 . 1 1 63 63 PRO CD C 13 48.625 0.05 . 1 . . . . A 85 PRO CD . 30515 1 572 . 1 1 64 64 ASP H H 1 7.203 0 . 1 . . . . A 86 ASP H . 30515 1 573 . 1 1 64 64 ASP HA H 1 4.624 0.01 . 1 . . . . A 86 ASP HA . 30515 1 574 . 1 1 64 64 ASP HB2 H 1 3.053 0 . 1 . . . . A 86 ASP HB2 . 30515 1 575 . 1 1 64 64 ASP HB3 H 1 2.555 0.01 . 1 . . . . A 86 ASP HB3 . 30515 1 576 . 1 1 64 64 ASP CA C 13 49.367 0.01 . 1 . . . . A 86 ASP CA . 30515 1 577 . 1 1 64 64 ASP CB C 13 36.15 0.02 . 1 . . . . A 86 ASP CB . 30515 1 578 . 1 1 64 64 ASP N N 15 111.385 0.06 . 1 . . . . A 86 ASP N . 30515 1 579 . 1 1 65 65 ASN H H 1 8.06 0 . 1 . . . . A 87 ASN H . 30515 1 580 . 1 1 65 65 ASN HA H 1 4.355 0 . 1 . . . . A 87 ASN HA . 30515 1 581 . 1 1 65 65 ASN HB2 H 1 2.98 0 . 1 . . . . A 87 ASN HB2 . 30515 1 582 . 1 1 65 65 ASN HB3 H 1 2.613 0 . 1 . . . . A 87 ASN HB3 . 30515 1 583 . 1 1 65 65 ASN CA C 13 51.972 0.03 . 1 . . . . A 87 ASN CA . 30515 1 584 . 1 1 65 65 ASN CB C 13 34.807 0.01 . 1 . . . . A 87 ASN CB . 30515 1 585 . 1 1 65 65 ASN N N 15 114.484 0.03 . 1 . . . . A 87 ASN N . 30515 1 586 . 1 1 66 66 ASP H H 1 8.207 0 . 1 . . . . A 88 ASP H . 30515 1 587 . 1 1 66 66 ASP HA H 1 4.622 0 . 1 . . . . A 88 ASP HA . 30515 1 588 . 1 1 66 66 ASP HB2 H 1 2.942 0 . 1 . . . . A 88 ASP HB2 . 30515 1 589 . 1 1 66 66 ASP HB3 H 1 2.461 0 . 1 . . . . A 88 ASP HB3 . 30515 1 590 . 1 1 66 66 ASP CA C 13 50.655 0.02 . 1 . . . . A 88 ASP CA . 30515 1 591 . 1 1 66 66 ASP CB C 13 37.18 0.03 . 1 . . . . A 88 ASP CB . 30515 1 592 . 1 1 66 66 ASP N N 15 116.312 0.02 . 1 . . . . A 88 ASP N . 30515 1 593 . 1 1 67 67 GLY H H 1 9.522 0 . 1 . . . . A 89 GLY H . 30515 1 594 . 1 1 67 67 GLY HA2 H 1 4.229 0.01 . 1 . . . . A 89 GLY HA2 . 30515 1 595 . 1 1 67 67 GLY HA3 H 1 3.515 0.01 . 1 . . . . A 89 GLY HA3 . 30515 1 596 . 1 1 67 67 GLY CA C 13 42.513 0.02 . 1 . . . . A 89 GLY CA . 30515 1 597 . 1 1 67 67 GLY N N 15 111.281 0.05 . 1 . . . . A 89 GLY N . 30515 1 598 . 1 1 68 68 THR H H 1 7.809 0 . 1 . . . . A 90 THR H . 30515 1 599 . 1 1 68 68 THR HA H 1 4.974 0 . 1 . . . . A 90 THR HA . 30515 1 600 . 1 1 68 68 THR HB H 1 3.786 0 . 1 . . . . A 90 THR HB . 30515 1 601 . 1 1 68 68 THR HG21 H 1 0.977 0.01 . 1 . . . . A 90 THR HG21 . 30515 1 602 . 1 1 68 68 THR HG22 H 1 0.977 0.01 . 1 . . . . A 90 THR HG22 . 30515 1 603 . 1 1 68 68 THR HG23 H 1 0.977 0.01 . 1 . . . . A 90 THR HG23 . 30515 1 604 . 1 1 68 68 THR CA C 13 56.188 0.05 . 1 . . . . A 90 THR CA . 30515 1 605 . 1 1 68 68 THR CB C 13 71.505 0.05 . 1 . . . . A 90 THR CB . 30515 1 606 . 1 1 68 68 THR CG2 C 13 18.619 0.02 . 1 . . . . A 90 THR CG2 . 30515 1 607 . 1 1 68 68 THR N N 15 107.092 0.04 . 1 . . . . A 90 THR N . 30515 1 608 . 1 1 69 69 LEU H H 1 9.365 0.09 . 1 . . . . A 91 LEU H . 30515 1 609 . 1 1 69 69 LEU HA H 1 5.723 0.01 . 1 . . . . A 91 LEU HA . 30515 1 610 . 1 1 69 69 LEU HB2 H 1 2.044 0.01 . 1 . . . . A 91 LEU HB2 . 30515 1 611 . 1 1 69 69 LEU HB3 H 1 1.523 0.02 . 1 . . . . A 91 LEU HB3 . 30515 1 612 . 1 1 69 69 LEU HG H 1 1.6 0 . 1 . . . . A 91 LEU HG . 30515 1 613 . 1 1 69 69 LEU HD11 H 1 0.948 0 . 1 . . . . A 91 LEU HD11 . 30515 1 614 . 1 1 69 69 LEU HD12 H 1 0.948 0 . 1 . . . . A 91 LEU HD12 . 30515 1 615 . 1 1 69 69 LEU HD13 H 1 0.948 0 . 1 . . . . A 91 LEU HD13 . 30515 1 616 . 1 1 69 69 LEU HD21 H 1 0.785 0.01 . 1 . . . . A 91 LEU HD21 . 30515 1 617 . 1 1 69 69 LEU HD22 H 1 0.785 0.01 . 1 . . . . A 91 LEU HD22 . 30515 1 618 . 1 1 69 69 LEU HD23 H 1 0.785 0.01 . 1 . . . . A 91 LEU HD23 . 30515 1 619 . 1 1 69 69 LEU CA C 13 50.004 0.04 . 1 . . . . A 91 LEU CA . 30515 1 620 . 1 1 69 69 LEU CB C 13 40.524 0.04 . 1 . . . . A 91 LEU CB . 30515 1 621 . 1 1 69 69 LEU CG C 13 24.16 0 . 1 . . . . A 91 LEU CG . 30515 1 622 . 1 1 69 69 LEU CD1 C 13 24.027 0.08 . 1 . . . . A 91 LEU CD1 . 30515 1 623 . 1 1 69 69 LEU CD2 C 13 21.837 0.06 . 1 . . . . A 91 LEU CD2 . 30515 1 624 . 1 1 69 69 LEU N N 15 124.465 0.03 . 1 . . . . A 91 LEU N . 30515 1 625 . 1 1 70 70 ASP H H 1 9.175 0 . 1 . . . . A 92 ASP H . 30515 1 626 . 1 1 70 70 ASP HA H 1 5.163 0 . 1 . . . . A 92 ASP HA . 30515 1 627 . 1 1 70 70 ASP HB2 H 1 2.942 0.26 . 1 . . . . A 92 ASP HB2 . 30515 1 628 . 1 1 70 70 ASP HB3 H 1 2.684 0 . 1 . . . . A 92 ASP HB3 . 30515 1 629 . 1 1 70 70 ASP CA C 13 49.553 0.03 . 1 . . . . A 92 ASP CA . 30515 1 630 . 1 1 70 70 ASP CB C 13 38.049 0.03 . 1 . . . . A 92 ASP CB . 30515 1 631 . 1 1 70 70 ASP N N 15 126.095 0.01 . 1 . . . . A 92 ASP N . 30515 1 632 . 1 1 71 71 LYS H H 1 8.313 0 . 1 . . . . A 93 LYS H . 30515 1 633 . 1 1 71 71 LYS HA H 1 4.079 0 . 1 . . . . A 93 LYS HA . 30515 1 634 . 1 1 71 71 LYS HB2 H 1 0.748 0.27 . 1 . . . . A 93 LYS HB2 . 30515 1 635 . 1 1 71 71 LYS HB3 H 1 1.29 0 . 1 . . . . A 93 LYS HB3 . 30515 1 636 . 1 1 71 71 LYS HG2 H 1 0.612 0 . 1 . . . . A 93 LYS HG2 . 30515 1 637 . 1 1 71 71 LYS HD2 H 1 0.352 0 . 1 . . . . A 93 LYS HD2 . 30515 1 638 . 1 1 71 71 LYS HE2 H 1 2.876 0 . 1 . . . . A 93 LYS HE2 . 30515 1 639 . 1 1 71 71 LYS HE3 H 1 2.876 0 . 1 . . . . A 93 LYS HE3 . 30515 1 640 . 1 1 71 71 LYS CA C 13 58.629 0.03 . 1 . . . . A 93 LYS CA . 30515 1 641 . 1 1 71 71 LYS CB C 13 28.394 0.03 . 1 . . . . A 93 LYS CB . 30515 1 642 . 1 1 71 71 LYS N N 15 119.535 0.01 . 1 . . . . A 93 LYS N . 30515 1 643 . 1 1 72 72 LYS H H 1 7.667 0 . 1 . . . . A 94 LYS H . 30515 1 644 . 1 1 72 72 LYS HA H 1 3.844 0 . 1 . . . . A 94 LYS HA . 30515 1 645 . 1 1 72 72 LYS HB2 H 1 1.828 0.01 . 1 . . . . A 94 LYS HB2 . 30515 1 646 . 1 1 72 72 LYS HB3 H 1 1.83 0 . 1 . . . . A 94 LYS HB3 . 30515 1 647 . 1 1 72 72 LYS HG2 H 1 1.361 0 . 1 . . . . A 94 LYS HG2 . 30515 1 648 . 1 1 72 72 LYS HD2 H 1 1.632 0 . 1 . . . . A 94 LYS HD2 . 30515 1 649 . 1 1 72 72 LYS HE2 H 1 2.809 0 . 1 . . . . A 94 LYS HE2 . 30515 1 650 . 1 1 72 72 LYS CA C 13 57.343 0.05 . 1 . . . . A 94 LYS CA . 30515 1 651 . 1 1 72 72 LYS CB C 13 28.977 0.09 . 1 . . . . A 94 LYS CB . 30515 1 652 . 1 1 72 72 LYS CG C 13 22.393 0 . 1 . . . . A 94 LYS CG . 30515 1 653 . 1 1 72 72 LYS CD C 13 26.56 0 . 1 . . . . A 94 LYS CD . 30515 1 654 . 1 1 72 72 LYS N N 15 118.763 0.03 . 1 . . . . A 94 LYS N . 30515 1 655 . 1 1 73 73 GLU H H 1 9.057 0.01 . 1 . . . . A 95 GLU H . 30515 1 656 . 1 1 73 73 GLU HA H 1 4.082 0 . 1 . . . . A 95 GLU HA . 30515 1 657 . 1 1 73 73 GLU HB2 H 1 2.521 0 . 1 . . . . A 95 GLU HB2 . 30515 1 658 . 1 1 73 73 GLU HB3 H 1 2.252 0 . 1 . . . . A 95 GLU HB3 . 30515 1 659 . 1 1 73 73 GLU HG2 H 1 3.036 0 . 1 . . . . A 95 GLU HG2 . 30515 1 660 . 1 1 73 73 GLU HG3 H 1 2.246 0 . 1 . . . . A 95 GLU HG3 . 30515 1 661 . 1 1 73 73 GLU CA C 13 56.051 0.04 . 1 . . . . A 95 GLU CA . 30515 1 662 . 1 1 73 73 GLU CB C 13 27.033 0.07 . 1 . . . . A 95 GLU CB . 30515 1 663 . 1 1 73 73 GLU CG C 13 34.078 0.07 . 1 . . . . A 95 GLU CG . 30515 1 664 . 1 1 73 73 GLU N N 15 120.764 0.03 . 1 . . . . A 95 GLU N . 30515 1 665 . 1 1 74 74 TYR H H 1 9.292 0.03 . 1 . . . . A 96 TYR H . 30515 1 666 . 1 1 74 74 TYR HA H 1 4.023 0 . 1 . . . . A 96 TYR HA . 30515 1 667 . 1 1 74 74 TYR HB2 H 1 3.108 0.04 . 1 . . . . A 96 TYR HB2 . 30515 1 668 . 1 1 74 74 TYR HB3 H 1 3.055 0 . 1 . . . . A 96 TYR HB3 . 30515 1 669 . 1 1 74 74 TYR HD1 H 1 6.819 0 . 1 . . . . A 96 TYR HD1 . 30515 1 670 . 1 1 74 74 TYR HE1 H 1 6.568 0 . 1 . . . . A 96 TYR HE1 . 30515 1 671 . 1 1 74 74 TYR CA C 13 60.587 0.05 . 1 . . . . A 96 TYR CA . 30515 1 672 . 1 1 74 74 TYR CB C 13 38.1 0.03 . 1 . . . . A 96 TYR CB . 30515 1 673 . 1 1 74 74 TYR CE1 C 13 115.315 0 . 1 . . . . A 96 TYR CE1 . 30515 1 674 . 1 1 74 74 TYR N N 15 123.703 0.02 . 1 . . . . A 96 TYR N . 30515 1 675 . 1 1 75 75 LEU H H 1 8.995 0.01 . 1 . . . . A 97 LEU H . 30515 1 676 . 1 1 75 75 LEU HA H 1 3.942 0.01 . 1 . . . . A 97 LEU HA . 30515 1 677 . 1 1 75 75 LEU HB2 H 1 1.908 0.03 . 1 . . . . A 97 LEU HB2 . 30515 1 678 . 1 1 75 75 LEU HB3 H 1 1.427 0.01 . 1 . . . . A 97 LEU HB3 . 30515 1 679 . 1 1 75 75 LEU CA C 13 55.142 0.05 . 1 . . . . A 97 LEU CA . 30515 1 680 . 1 1 75 75 LEU CB C 13 36.943 0.03 . 1 . . . . A 97 LEU CB . 30515 1 681 . 1 1 75 75 LEU CG C 13 24.439 0 . 1 . . . . A 97 LEU CG . 30515 1 682 . 1 1 75 75 LEU CD1 C 13 22.759 0 . 1 . . . . A 97 LEU CD1 . 30515 1 683 . 1 1 75 75 LEU CD2 C 13 18.87 0 . 1 . . . . A 97 LEU CD2 . 30515 1 684 . 1 1 75 75 LEU N N 15 116.903 0.02 . 1 . . . . A 97 LEU N . 30515 1 685 . 1 1 76 76 ALA H H 1 8.19 0 . 1 . . . . A 98 ALA H . 30515 1 686 . 1 1 76 76 ALA HA H 1 4.169 0 . 1 . . . . A 98 ALA HA . 30515 1 687 . 1 1 76 76 ALA HB1 H 1 1.463 0 . 1 . . . . A 98 ALA HB1 . 30515 1 688 . 1 1 76 76 ALA HB2 H 1 1.463 0 . 1 . . . . A 98 ALA HB2 . 30515 1 689 . 1 1 76 76 ALA HB3 H 1 1.463 0 . 1 . . . . A 98 ALA HB3 . 30515 1 690 . 1 1 76 76 ALA CA C 13 52.484 0.05 . 1 . . . . A 98 ALA CA . 30515 1 691 . 1 1 76 76 ALA CB C 13 15.009 0 . 1 . . . . A 98 ALA CB . 30515 1 692 . 1 1 76 76 ALA N N 15 123.704 0.01 . 1 . . . . A 98 ALA N . 30515 1 693 . 1 1 77 77 ALA H H 1 7.581 0.01 . 1 . . . . A 99 ALA H . 30515 1 694 . 1 1 77 77 ALA HA H 1 4.09 0 . 1 . . . . A 99 ALA HA . 30515 1 695 . 1 1 77 77 ALA HB1 H 1 1.452 0 . 1 . . . . A 99 ALA HB1 . 30515 1 696 . 1 1 77 77 ALA HB2 H 1 1.452 0 . 1 . . . . A 99 ALA HB2 . 30515 1 697 . 1 1 77 77 ALA HB3 H 1 1.452 0 . 1 . . . . A 99 ALA HB3 . 30515 1 698 . 1 1 77 77 ALA CA C 13 52.071 0.02 . 1 . . . . A 99 ALA CA . 30515 1 699 . 1 1 77 77 ALA CB C 13 15.213 0.05 . 1 . . . . A 99 ALA CB . 30515 1 700 . 1 1 77 77 ALA N N 15 123.191 0.03 . 1 . . . . A 99 ALA N . 30515 1 701 . 1 1 78 78 VAL H H 1 7.976 0 . 1 . . . . A 100 VAL H . 30515 1 702 . 1 1 78 78 VAL HA H 1 3.161 0 . 1 . . . . A 100 VAL HA . 30515 1 703 . 1 1 78 78 VAL HB H 1 2.229 0.01 . 1 . . . . A 100 VAL HB . 30515 1 704 . 1 1 78 78 VAL HG11 H 1 0.757 0 . 1 . . . . A 100 VAL HG11 . 30515 1 705 . 1 1 78 78 VAL HG12 H 1 0.757 0 . 1 . . . . A 100 VAL HG12 . 30515 1 706 . 1 1 78 78 VAL HG13 H 1 0.757 0 . 1 . . . . A 100 VAL HG13 . 30515 1 707 . 1 1 78 78 VAL HG21 H 1 0.635 0 . 1 . . . . A 100 VAL HG21 . 30515 1 708 . 1 1 78 78 VAL HG22 H 1 0.635 0 . 1 . . . . A 100 VAL HG22 . 30515 1 709 . 1 1 78 78 VAL HG23 H 1 0.635 0 . 1 . . . . A 100 VAL HG23 . 30515 1 710 . 1 1 78 78 VAL CA C 13 64.459 0.05 . 1 . . . . A 100 VAL CA . 30515 1 711 . 1 1 78 78 VAL CB C 13 28.328 0.07 . 1 . . . . A 100 VAL CB . 30515 1 712 . 1 1 78 78 VAL CG1 C 13 20.974 0.04 . 1 . . . . A 100 VAL CG1 . 30515 1 713 . 1 1 78 78 VAL CG2 C 13 18.896 0.02 . 1 . . . . A 100 VAL CG2 . 30515 1 714 . 1 1 78 78 VAL N N 15 119.95 0.03 . 1 . . . . A 100 VAL N . 30515 1 715 . 1 1 79 79 GLU H H 1 8.34 0 . 1 . . . . A 101 GLU H . 30515 1 716 . 1 1 79 79 GLU HA H 1 3.643 0.01 . 1 . . . . A 101 GLU HA . 30515 1 717 . 1 1 79 79 GLU HB2 H 1 2.057 0.01 . 1 . . . . A 101 GLU HB2 . 30515 1 718 . 1 1 79 79 GLU HG2 H 1 2.211 0.03 . 1 . . . . A 101 GLU HG2 . 30515 1 719 . 1 1 79 79 GLU HG3 H 1 2.105 0 . 1 . . . . A 101 GLU HG3 . 30515 1 720 . 1 1 79 79 GLU CA C 13 57.31 0.04 . 1 . . . . A 101 GLU CA . 30515 1 721 . 1 1 79 79 GLU CB C 13 26.836 0.07 . 1 . . . . A 101 GLU CB . 30515 1 722 . 1 1 79 79 GLU CG C 13 33.472 0.04 . 1 . . . . A 101 GLU CG . 30515 1 723 . 1 1 79 79 GLU N N 15 120.101 0.03 . 1 . . . . A 101 GLU N . 30515 1 724 . 1 1 80 80 ALA H H 1 7.988 0 . 1 . . . . A 102 ALA H . 30515 1 725 . 1 1 80 80 ALA HA H 1 4.084 0.01 . 1 . . . . A 102 ALA HA . 30515 1 726 . 1 1 80 80 ALA HB1 H 1 1.407 0 . 1 . . . . A 102 ALA HB1 . 30515 1 727 . 1 1 80 80 ALA HB2 H 1 1.407 0 . 1 . . . . A 102 ALA HB2 . 30515 1 728 . 1 1 80 80 ALA HB3 H 1 1.407 0 . 1 . . . . A 102 ALA HB3 . 30515 1 729 . 1 1 80 80 ALA CA C 13 52.367 0.01 . 1 . . . . A 102 ALA CA . 30515 1 730 . 1 1 80 80 ALA CB C 13 15.292 0.04 . 1 . . . . A 102 ALA CB . 30515 1 731 . 1 1 80 80 ALA N N 15 120.119 0.03 . 1 . . . . A 102 ALA N . 30515 1 732 . 1 1 81 81 GLN H H 1 8.197 0 . 1 . . . . A 103 GLN H . 30515 1 733 . 1 1 81 81 GLN HA H 1 3.972 0.01 . 1 . . . . A 103 GLN HA . 30515 1 734 . 1 1 81 81 GLN HB2 H 1 2.115 0.02 . 1 . . . . A 103 GLN HB2 . 30515 1 735 . 1 1 81 81 GLN HB3 H 1 2.054 0 . 1 . . . . A 103 GLN HB3 . 30515 1 736 . 1 1 81 81 GLN HG2 H 1 1.88 0.01 . 1 . . . . A 103 GLN HG2 . 30515 1 737 . 1 1 81 81 GLN HG3 H 1 1.872 0 . 1 . . . . A 103 GLN HG3 . 30515 1 738 . 1 1 81 81 GLN CA C 13 54.397 0.03 . 1 . . . . A 103 GLN CA . 30515 1 739 . 1 1 81 81 GLN CB C 13 28.894 2.68 . 1 . . . . A 103 GLN CB . 30515 1 740 . 1 1 81 81 GLN CG C 13 30.796 0 . 1 . . . . A 103 GLN CG . 30515 1 741 . 1 1 81 81 GLN N N 15 119.86 0.02 . 1 . . . . A 103 GLN N . 30515 1 742 . 1 1 82 82 PHE H H 1 8.836 0 . 1 . . . . A 104 PHE H . 30515 1 743 . 1 1 82 82 PHE HA H 1 3.692 0.01 . 1 . . . . A 104 PHE HA . 30515 1 744 . 1 1 82 82 PHE HB2 H 1 3.435 0 . 1 . . . . A 104 PHE HB2 . 30515 1 745 . 1 1 82 82 PHE HB3 H 1 2.672 0 . 1 . . . . A 104 PHE HB3 . 30515 1 746 . 1 1 82 82 PHE HD2 H 1 6.791 0.01 . 1 . . . . A 104 PHE HD2 . 30515 1 747 . 1 1 82 82 PHE HE2 H 1 6.939 0 . 1 . . . . A 104 PHE HE2 . 30515 1 748 . 1 1 82 82 PHE CA C 13 58.923 0.03 . 1 . . . . A 104 PHE CA . 30515 1 749 . 1 1 82 82 PHE CB C 13 36.703 0.05 . 1 . . . . A 104 PHE CB . 30515 1 750 . 1 1 82 82 PHE N N 15 121.79 0.05 . 1 . . . . A 104 PHE N . 30515 1 751 . 1 1 83 83 LYS H H 1 7.804 0 . 1 . . . . A 105 LYS H . 30515 1 752 . 1 1 83 83 LYS HA H 1 3.956 0 . 1 . . . . A 105 LYS HA . 30515 1 753 . 1 1 83 83 LYS HB2 H 1 1.885 0.01 . 1 . . . . A 105 LYS HB2 . 30515 1 754 . 1 1 83 83 LYS HE2 H 1 2.9 0.04 . 1 . . . . A 105 LYS HE2 . 30515 1 755 . 1 1 83 83 LYS CA C 13 57.036 0.05 . 1 . . . . A 105 LYS CA . 30515 1 756 . 1 1 83 83 LYS CB C 13 29.538 0.12 . 1 . . . . A 105 LYS CB . 30515 1 757 . 1 1 83 83 LYS CG C 13 23.184 0 . 1 . . . . A 105 LYS CG . 30515 1 758 . 1 1 83 83 LYS CD C 13 27.005 0 . 1 . . . . A 105 LYS CD . 30515 1 759 . 1 1 83 83 LYS N N 15 116.054 0.02 . 1 . . . . A 105 LYS N . 30515 1 760 . 1 1 84 84 ALA H H 1 7.704 0.01 . 1 . . . . A 106 ALA H . 30515 1 761 . 1 1 84 84 ALA HA H 1 3.929 0.01 . 1 . . . . A 106 ALA HA . 30515 1 762 . 1 1 84 84 ALA HB1 H 1 1.369 0 . 1 . . . . A 106 ALA HB1 . 30515 1 763 . 1 1 84 84 ALA HB2 H 1 1.369 0 . 1 . . . . A 106 ALA HB2 . 30515 1 764 . 1 1 84 84 ALA HB3 H 1 1.369 0 . 1 . . . . A 106 ALA HB3 . 30515 1 765 . 1 1 84 84 ALA CA C 13 51.813 0.03 . 1 . . . . A 106 ALA CA . 30515 1 766 . 1 1 84 84 ALA CB C 13 15.303 0.14 . 1 . . . . A 106 ALA CB . 30515 1 767 . 1 1 84 84 ALA N N 15 121.327 0.02 . 1 . . . . A 106 ALA N . 30515 1 768 . 1 1 85 85 ALA H H 1 7.57 0 . 1 . . . . A 107 ALA H . 30515 1 769 . 1 1 85 85 ALA HA H 1 3.992 0 . 1 . . . . A 107 ALA HA . 30515 1 770 . 1 1 85 85 ALA HB1 H 1 1.028 0 . 1 . . . . A 107 ALA HB1 . 30515 1 771 . 1 1 85 85 ALA HB2 H 1 1.028 0 . 1 . . . . A 107 ALA HB2 . 30515 1 772 . 1 1 85 85 ALA HB3 H 1 1.028 0 . 1 . . . . A 107 ALA HB3 . 30515 1 773 . 1 1 85 85 ALA CA C 13 48.916 0.04 . 1 . . . . A 107 ALA CA . 30515 1 774 . 1 1 85 85 ALA CB C 13 15.287 0.03 . 1 . . . . A 107 ALA CB . 30515 1 775 . 1 1 85 85 ALA N N 15 117.123 0.02 . 1 . . . . A 107 ALA N . 30515 1 776 . 1 1 86 86 ASN H H 1 7.142 0 . 1 . . . . A 108 ASN H . 30515 1 777 . 1 1 86 86 ASN HA H 1 5.284 0 . 1 . . . . A 108 ASN HA . 30515 1 778 . 1 1 86 86 ASN HB2 H 1 2.875 0 . 1 . . . . A 108 ASN HB2 . 30515 1 779 . 1 1 86 86 ASN HB3 H 1 1.669 0 . 1 . . . . A 108 ASN HB3 . 30515 1 780 . 1 1 86 86 ASN CA C 13 47.043 0.02 . 1 . . . . A 108 ASN CA . 30515 1 781 . 1 1 86 86 ASN CB C 13 36.411 0.03 . 1 . . . . A 108 ASN CB . 30515 1 782 . 1 1 86 86 ASN N N 15 114.814 0.03 . 1 . . . . A 108 ASN N . 30515 1 783 . 1 1 87 87 PRO HD2 H 1 3.777 0 . 1 . . . . A 109 PRO HD2 . 30515 1 784 . 1 1 87 87 PRO HD3 H 1 3.275 0 . 1 . . . . A 109 PRO HD3 . 30515 1 785 . 1 1 87 87 PRO CD C 13 48.16 0.04 . 1 . . . . A 109 PRO CD . 30515 1 786 . 1 1 91 91 GLY HA2 H 1 4.324 0 . 1 . . . . A 113 GLY HA2 . 30515 1 787 . 1 1 91 91 GLY HA3 H 1 3.893 0 . 1 . . . . A 113 GLY HA3 . 30515 1 788 . 1 1 91 91 GLY CA C 13 42.78 0.04 . 1 . . . . A 113 GLY CA . 30515 1 789 . 1 1 92 92 THR H H 1 7.573 0 . 1 . . . . A 114 THR H . 30515 1 790 . 1 1 92 92 THR HA H 1 5.39 0.01 . 1 . . . . A 114 THR HA . 30515 1 791 . 1 1 92 92 THR HB H 1 3.867 0 . 1 . . . . A 114 THR HB . 30515 1 792 . 1 1 92 92 THR HG21 H 1 1.093 0 . 1 . . . . A 114 THR HG21 . 30515 1 793 . 1 1 92 92 THR HG22 H 1 1.093 0 . 1 . . . . A 114 THR HG22 . 30515 1 794 . 1 1 92 92 THR HG23 H 1 1.093 0 . 1 . . . . A 114 THR HG23 . 30515 1 795 . 1 1 92 92 THR CA C 13 56.737 0.04 . 1 . . . . A 114 THR CA . 30515 1 796 . 1 1 92 92 THR CB C 13 71.725 0.05 . 1 . . . . A 114 THR CB . 30515 1 797 . 1 1 92 92 THR CG2 C 13 19.346 0 . 1 . . . . A 114 THR CG2 . 30515 1 798 . 1 1 92 92 THR N N 15 107.441 0.05 . 1 . . . . A 114 THR N . 30515 1 799 . 1 1 93 93 ILE H H 1 9.813 0 . 1 . . . . A 115 ILE H . 30515 1 800 . 1 1 93 93 ILE HA H 1 4.798 0.01 . 1 . . . . A 115 ILE HA . 30515 1 801 . 1 1 93 93 ILE HB H 1 1.572 0.01 . 1 . . . . A 115 ILE HB . 30515 1 802 . 1 1 93 93 ILE HG12 H 1 0.524 0 . 1 . . . . A 115 ILE HG12 . 30515 1 803 . 1 1 93 93 ILE HG13 H 1 0.368 0.01 . 1 . . . . A 115 ILE HG13 . 30515 1 804 . 1 1 93 93 ILE HG21 H 1 0.735 0 . 1 . . . . A 115 ILE HG21 . 30515 1 805 . 1 1 93 93 ILE HG22 H 1 0.735 0 . 1 . . . . A 115 ILE HG22 . 30515 1 806 . 1 1 93 93 ILE HG23 H 1 0.735 0 . 1 . . . . A 115 ILE HG23 . 30515 1 807 . 1 1 93 93 ILE HD11 H 1 0.052 0 . 1 . . . . A 115 ILE HD11 . 30515 1 808 . 1 1 93 93 ILE HD12 H 1 0.052 0 . 1 . . . . A 115 ILE HD12 . 30515 1 809 . 1 1 93 93 ILE HD13 H 1 0.052 0 . 1 . . . . A 115 ILE HD13 . 30515 1 810 . 1 1 93 93 ILE CA C 13 56.781 0.05 . 1 . . . . A 115 ILE CA . 30515 1 811 . 1 1 93 93 ILE CB C 13 36.756 0.04 . 1 . . . . A 115 ILE CB . 30515 1 812 . 1 1 93 93 ILE CG1 C 13 25.527 0.05 . 1 . . . . A 115 ILE CG1 . 30515 1 813 . 1 1 93 93 ILE CG2 C 13 14.643 0.04 . 1 . . . . A 115 ILE CG2 . 30515 1 814 . 1 1 93 93 ILE CD1 C 13 11.7 0.03 . 1 . . . . A 115 ILE CD1 . 30515 1 815 . 1 1 93 93 ILE N N 15 129.664 0.01 . 1 . . . . A 115 ILE N . 30515 1 816 . 1 1 94 94 ASP H H 1 8.733 0.01 . 1 . . . . A 116 ASP H . 30515 1 817 . 1 1 94 94 ASP HA H 1 4.77 0.01 . 1 . . . . A 116 ASP HA . 30515 1 818 . 1 1 94 94 ASP HB2 H 1 3.221 0.01 . 1 . . . . A 116 ASP HB2 . 30515 1 819 . 1 1 94 94 ASP HB3 H 1 2.555 0 . 1 . . . . A 116 ASP HB3 . 30515 1 820 . 1 1 94 94 ASP CA C 13 48.892 0.26 . 1 . . . . A 116 ASP CA . 30515 1 821 . 1 1 94 94 ASP CB C 13 39.272 0.11 . 1 . . . . A 116 ASP CB . 30515 1 822 . 1 1 94 94 ASP N N 15 128.266 0.02 . 1 . . . . A 116 ASP N . 30515 1 823 . 1 1 95 95 ALA H H 1 8.577 0 . 1 . . . . A 117 ALA H . 30515 1 824 . 1 1 95 95 ALA HA H 1 3.83 0.01 . 1 . . . . A 117 ALA HA . 30515 1 825 . 1 1 95 95 ALA HB1 H 1 1.435 0.01 . 1 . . . . A 117 ALA HB1 . 30515 1 826 . 1 1 95 95 ALA HB2 H 1 1.435 0.01 . 1 . . . . A 117 ALA HB2 . 30515 1 827 . 1 1 95 95 ALA HB3 H 1 1.435 0.01 . 1 . . . . A 117 ALA HB3 . 30515 1 828 . 1 1 95 95 ALA CA C 13 53.234 0.13 . 1 . . . . A 117 ALA CA . 30515 1 829 . 1 1 95 95 ALA CB C 13 15.765 0.05 . 1 . . . . A 117 ALA CB . 30515 1 830 . 1 1 95 95 ALA N N 15 118.608 0.02 . 1 . . . . A 117 ALA N . 30515 1 831 . 1 1 96 96 ARG H H 1 7.832 0 . 1 . . . . A 118 ARG H . 30515 1 832 . 1 1 96 96 ARG HA H 1 4.016 0 . 1 . . . . A 118 ARG HA . 30515 1 833 . 1 1 96 96 ARG HB2 H 1 1.9 0 . 1 . . . . A 118 ARG HB2 . 30515 1 834 . 1 1 96 96 ARG HB3 H 1 1.901 0 . 1 . . . . A 118 ARG HB3 . 30515 1 835 . 1 1 96 96 ARG HG2 H 1 1.606 0 . 1 . . . . A 118 ARG HG2 . 30515 1 836 . 1 1 96 96 ARG HD2 H 1 3.181 0 . 1 . . . . A 118 ARG HD2 . 30515 1 837 . 1 1 96 96 ARG CA C 13 56.518 0.03 . 1 . . . . A 118 ARG CA . 30515 1 838 . 1 1 96 96 ARG CB C 13 26.942 0.04 . 1 . . . . A 118 ARG CB . 30515 1 839 . 1 1 96 96 ARG N N 15 119.152 0.03 . 1 . . . . A 118 ARG N . 30515 1 840 . 1 1 97 97 GLU H H 1 8.629 0.03 . 1 . . . . A 119 GLU H . 30515 1 841 . 1 1 97 97 GLU HA H 1 3.955 0 . 1 . . . . A 119 GLU HA . 30515 1 842 . 1 1 97 97 GLU HB2 H 1 2.297 0.02 . 1 . . . . A 119 GLU HB2 . 30515 1 843 . 1 1 97 97 GLU HG2 H 1 2.779 0.05 . 1 . . . . A 119 GLU HG2 . 30515 1 844 . 1 1 97 97 GLU HG3 H 1 2.755 0 . 1 . . . . A 119 GLU HG3 . 30515 1 845 . 1 1 97 97 GLU CA C 13 56.058 0.04 . 1 . . . . A 119 GLU CA . 30515 1 846 . 1 1 97 97 GLU CB C 13 26.079 0.01 . 1 . . . . A 119 GLU CB . 30515 1 847 . 1 1 97 97 GLU CG C 13 34.429 0 . 1 . . . . A 119 GLU CG . 30515 1 848 . 1 1 97 97 GLU N N 15 121.349 0.01 . 1 . . . . A 119 GLU N . 30515 1 849 . 1 1 98 98 LEU H H 1 8.771 0.01 . 1 . . . . A 120 LEU H . 30515 1 850 . 1 1 98 98 LEU HA H 1 3.704 0 . 1 . . . . A 120 LEU HA . 30515 1 851 . 1 1 98 98 LEU HB2 H 1 1.797 0 . 1 . . . . A 120 LEU HB2 . 30515 1 852 . 1 1 98 98 LEU HB3 H 1 1.259 0 . 1 . . . . A 120 LEU HB3 . 30515 1 853 . 1 1 98 98 LEU HG H 1 1.407 0.39 . 1 . . . . A 120 LEU HG . 30515 1 854 . 1 1 98 98 LEU HD11 H 1 0.719 0 . 1 . . . . A 120 LEU HD11 . 30515 1 855 . 1 1 98 98 LEU HD12 H 1 0.719 0 . 1 . . . . A 120 LEU HD12 . 30515 1 856 . 1 1 98 98 LEU HD13 H 1 0.719 0 . 1 . . . . A 120 LEU HD13 . 30515 1 857 . 1 1 98 98 LEU HD21 H 1 0.65 0 . 1 . . . . A 120 LEU HD21 . 30515 1 858 . 1 1 98 98 LEU HD22 H 1 0.65 0 . 1 . . . . A 120 LEU HD22 . 30515 1 859 . 1 1 98 98 LEU HD23 H 1 0.65 0 . 1 . . . . A 120 LEU HD23 . 30515 1 860 . 1 1 98 98 LEU CA C 13 54.303 0.05 . 1 . . . . A 120 LEU CA . 30515 1 861 . 1 1 98 98 LEU CB C 13 39.562 0.03 . 1 . . . . A 120 LEU CB . 30515 1 862 . 1 1 98 98 LEU CG C 13 23.108 0 . 1 . . . . A 120 LEU CG . 30515 1 863 . 1 1 98 98 LEU CD1 C 13 22.525 0.02 . 1 . . . . A 120 LEU CD1 . 30515 1 864 . 1 1 98 98 LEU CD2 C 13 20.763 0.03 . 1 . . . . A 120 LEU CD2 . 30515 1 865 . 1 1 98 98 LEU N N 15 121.654 0.02 . 1 . . . . A 120 LEU N . 30515 1 866 . 1 1 99 99 ALA H H 1 7.034 0 . 1 . . . . A 121 ALA H . 30515 1 867 . 1 1 99 99 ALA HA H 1 4.269 0 . 1 . . . . A 121 ALA HA . 30515 1 868 . 1 1 99 99 ALA HB1 H 1 1.432 0 . 1 . . . . A 121 ALA HB1 . 30515 1 869 . 1 1 99 99 ALA HB2 H 1 1.432 0 . 1 . . . . A 121 ALA HB2 . 30515 1 870 . 1 1 99 99 ALA HB3 H 1 1.432 0 . 1 . . . . A 121 ALA HB3 . 30515 1 871 . 1 1 99 99 ALA CA C 13 49.143 0.03 . 1 . . . . A 121 ALA CA . 30515 1 872 . 1 1 99 99 ALA CB C 13 16.187 0.02 . 1 . . . . A 121 ALA CB . 30515 1 873 . 1 1 99 99 ALA N N 15 116.084 0.02 . 1 . . . . A 121 ALA N . 30515 1 874 . 1 1 100 100 SER H H 1 7.435 0.01 . 1 . . . . A 122 SER H . 30515 1 875 . 1 1 100 100 SER HA H 1 4.684 0.01 . 1 . . . . A 122 SER HA . 30515 1 876 . 1 1 100 100 SER HB2 H 1 3.346 0 . 1 . . . . A 122 SER HB2 . 30515 1 877 . 1 1 100 100 SER HB3 H 1 3.053 0 . 1 . . . . A 122 SER HB3 . 30515 1 878 . 1 1 100 100 SER CA C 13 55.12 0.02 . 1 . . . . A 122 SER CA . 30515 1 879 . 1 1 100 100 SER CB C 13 60.794 0 . 1 . . . . A 122 SER CB . 30515 1 880 . 1 1 100 100 SER N N 15 115.925 0.07 . 1 . . . . A 122 SER N . 30515 1 881 . 1 1 101 101 PRO HA H 1 4.298 0 . 1 . . . . A 123 PRO HA . 30515 1 882 . 1 1 101 101 PRO HB2 H 1 2.364 0.01 . 1 . . . . A 123 PRO HB2 . 30515 1 883 . 1 1 101 101 PRO HB3 H 1 2.063 0 . 1 . . . . A 123 PRO HB3 . 30515 1 884 . 1 1 101 101 PRO HG2 H 1 2.913 1.02 . 1 . . . . A 123 PRO HG2 . 30515 1 885 . 1 1 101 101 PRO HG3 H 1 3.976 0 . 1 . . . . A 123 PRO HG3 . 30515 1 886 . 1 1 101 101 PRO CA C 13 63.871 0.03 . 1 . . . . A 123 PRO CA . 30515 1 887 . 1 1 101 101 PRO CB C 13 28.859 0.02 . 1 . . . . A 123 PRO CB . 30515 1 888 . 1 1 101 101 PRO CG C 13 25.527 0 . 1 . . . . A 123 PRO CG . 30515 1 889 . 1 1 101 101 PRO CD C 13 42.649 0 . 1 . . . . A 123 PRO CD . 30515 1 890 . 1 1 102 102 ALA H H 1 8.472 0.01 . 1 . . . . A 124 ALA H . 30515 1 891 . 1 1 102 102 ALA HA H 1 4.077 0.01 . 1 . . . . A 124 ALA HA . 30515 1 892 . 1 1 102 102 ALA HB1 H 1 1.194 0 . 1 . . . . A 124 ALA HB1 . 30515 1 893 . 1 1 102 102 ALA HB2 H 1 1.194 0 . 1 . . . . A 124 ALA HB2 . 30515 1 894 . 1 1 102 102 ALA HB3 H 1 1.194 0 . 1 . . . . A 124 ALA HB3 . 30515 1 895 . 1 1 102 102 ALA CA C 13 51.942 0.04 . 1 . . . . A 124 ALA CA . 30515 1 896 . 1 1 102 102 ALA CB C 13 15.661 0.1 . 1 . . . . A 124 ALA CB . 30515 1 897 . 1 1 102 102 ALA N N 15 119.82 0.02 . 1 . . . . A 124 ALA N . 30515 1 898 . 1 1 103 103 GLY H H 1 8.202 0.01 . 1 . . . . A 125 GLY H . 30515 1 899 . 1 1 103 103 GLY HA2 H 1 4.423 0 . 1 . . . . A 125 GLY HA2 . 30515 1 900 . 1 1 103 103 GLY HA3 H 1 3.415 0 . 1 . . . . A 125 GLY HA3 . 30515 1 901 . 1 1 103 103 GLY CA C 13 44.403 0.02 . 1 . . . . A 125 GLY CA . 30515 1 902 . 1 1 103 103 GLY N N 15 110.762 0.04 . 1 . . . . A 125 GLY N . 30515 1 903 . 1 1 104 104 SER H H 1 8.81 0 . 1 . . . . A 126 SER H . 30515 1 904 . 1 1 104 104 SER HA H 1 4.123 0.01 . 1 . . . . A 126 SER HA . 30515 1 905 . 1 1 104 104 SER HB2 H 1 3.902 0 . 1 . . . . A 126 SER HB2 . 30515 1 906 . 1 1 104 104 SER HB3 H 1 3.903 0 . 1 . . . . A 126 SER HB3 . 30515 1 907 . 1 1 104 104 SER CA C 13 58.991 0.05 . 1 . . . . A 126 SER CA . 30515 1 908 . 1 1 104 104 SER CB C 13 59.986 0.02 . 1 . . . . A 126 SER CB . 30515 1 909 . 1 1 104 104 SER N N 15 118.044 0.02 . 1 . . . . A 126 SER N . 30515 1 910 . 1 1 105 105 ALA H H 1 7.575 0 . 1 . . . . A 127 ALA H . 30515 1 911 . 1 1 105 105 ALA HA H 1 4.164 0.01 . 1 . . . . A 127 ALA HA . 30515 1 912 . 1 1 105 105 ALA HB1 H 1 1.397 0.01 . 1 . . . . A 127 ALA HB1 . 30515 1 913 . 1 1 105 105 ALA HB2 H 1 1.397 0.01 . 1 . . . . A 127 ALA HB2 . 30515 1 914 . 1 1 105 105 ALA HB3 H 1 1.397 0.01 . 1 . . . . A 127 ALA HB3 . 30515 1 915 . 1 1 105 105 ALA CA C 13 51.998 0.04 . 1 . . . . A 127 ALA CA . 30515 1 916 . 1 1 105 105 ALA CB C 13 14.768 0.05 . 1 . . . . A 127 ALA CB . 30515 1 917 . 1 1 105 105 ALA N N 15 123.804 0.03 . 1 . . . . A 127 ALA N . 30515 1 918 . 1 1 106 106 LEU H H 1 7.555 0 . 1 . . . . A 128 LEU H . 30515 1 919 . 1 1 106 106 LEU HA H 1 3.873 0 . 1 . . . . A 128 LEU HA . 30515 1 920 . 1 1 106 106 LEU HB2 H 1 2.367 0.01 . 1 . . . . A 128 LEU HB2 . 30515 1 921 . 1 1 106 106 LEU HB3 H 1 1.112 0 . 1 . . . . A 128 LEU HB3 . 30515 1 922 . 1 1 106 106 LEU HG H 1 1.26 0.01 . 1 . . . . A 128 LEU HG . 30515 1 923 . 1 1 106 106 LEU HD11 H 1 0.893 0 . 1 . . . . A 128 LEU HD11 . 30515 1 924 . 1 1 106 106 LEU HD12 H 1 0.893 0 . 1 . . . . A 128 LEU HD12 . 30515 1 925 . 1 1 106 106 LEU HD13 H 1 0.893 0 . 1 . . . . A 128 LEU HD13 . 30515 1 926 . 1 1 106 106 LEU HD21 H 1 0.682 0 . 1 . . . . A 128 LEU HD21 . 30515 1 927 . 1 1 106 106 LEU HD22 H 1 0.682 0 . 1 . . . . A 128 LEU HD22 . 30515 1 928 . 1 1 106 106 LEU HD23 H 1 0.682 0 . 1 . . . . A 128 LEU HD23 . 30515 1 929 . 1 1 106 106 LEU CA C 13 55.634 0.05 . 1 . . . . A 128 LEU CA . 30515 1 930 . 1 1 106 106 LEU CB C 13 38.142 0.04 . 1 . . . . A 128 LEU CB . 30515 1 931 . 1 1 106 106 LEU CG C 13 24.284 0.06 . 1 . . . . A 128 LEU CG . 30515 1 932 . 1 1 106 106 LEU CD1 C 13 21.57 0.05 . 1 . . . . A 128 LEU CD1 . 30515 1 933 . 1 1 106 106 LEU CD2 C 13 24.316 0 . 1 . . . . A 128 LEU CD2 . 30515 1 934 . 1 1 106 106 LEU N N 15 120.079 0.02 . 1 . . . . A 128 LEU N . 30515 1 935 . 1 1 107 107 VAL H H 1 8.414 0 . 1 . . . . A 129 VAL H . 30515 1 936 . 1 1 107 107 VAL HA H 1 3.105 0.01 . 1 . . . . A 129 VAL HA . 30515 1 937 . 1 1 107 107 VAL HB H 1 2.17 0.01 . 1 . . . . A 129 VAL HB . 30515 1 938 . 1 1 107 107 VAL HG11 H 1 0.915 0 . 1 . . . . A 129 VAL HG11 . 30515 1 939 . 1 1 107 107 VAL HG12 H 1 0.915 0 . 1 . . . . A 129 VAL HG12 . 30515 1 940 . 1 1 107 107 VAL HG13 H 1 0.915 0 . 1 . . . . A 129 VAL HG13 . 30515 1 941 . 1 1 107 107 VAL HG21 H 1 0.906 0 . 1 . . . . A 129 VAL HG21 . 30515 1 942 . 1 1 107 107 VAL HG22 H 1 0.906 0 . 1 . . . . A 129 VAL HG22 . 30515 1 943 . 1 1 107 107 VAL HG23 H 1 0.906 0 . 1 . . . . A 129 VAL HG23 . 30515 1 944 . 1 1 107 107 VAL CA C 13 64.482 0.04 . 1 . . . . A 129 VAL CA . 30515 1 945 . 1 1 107 107 VAL CB C 13 28.59 0.04 . 1 . . . . A 129 VAL CB . 30515 1 946 . 1 1 107 107 VAL CG1 C 13 20.462 0 . 1 . . . . A 129 VAL CG1 . 30515 1 947 . 1 1 107 107 VAL CG2 C 13 19.995 0.01 . 1 . . . . A 129 VAL CG2 . 30515 1 948 . 1 1 107 107 VAL N N 15 120.235 0.02 . 1 . . . . A 129 VAL N . 30515 1 949 . 1 1 108 108 ASN H H 1 7.739 0.01 . 1 . . . . A 130 ASN H . 30515 1 950 . 1 1 108 108 ASN HA H 1 4.338 0 . 1 . . . . A 130 ASN HA . 30515 1 951 . 1 1 108 108 ASN HB2 H 1 2.824 0.01 . 1 . . . . A 130 ASN HB2 . 30515 1 952 . 1 1 108 108 ASN HB3 H 1 2.82 0 . 1 . . . . A 130 ASN HB3 . 30515 1 953 . 1 1 108 108 ASN CA C 13 53.586 0.02 . 1 . . . . A 130 ASN CA . 30515 1 954 . 1 1 108 108 ASN CB C 13 36.151 0.04 . 1 . . . . A 130 ASN CB . 30515 1 955 . 1 1 108 108 ASN N N 15 114.831 0.02 . 1 . . . . A 130 ASN N . 30515 1 956 . 1 1 109 109 LEU H H 1 7.249 0.02 . 1 . . . . A 131 LEU H . 30515 1 957 . 1 1 109 109 LEU HA H 1 4.468 0 . 1 . . . . A 131 LEU HA . 30515 1 958 . 1 1 109 109 LEU HB2 H 1 1.893 0.01 . 1 . . . . A 131 LEU HB2 . 30515 1 959 . 1 1 109 109 LEU HB3 H 1 1.141 0 . 1 . . . . A 131 LEU HB3 . 30515 1 960 . 1 1 109 109 LEU HG H 1 1.79 0.01 . 1 . . . . A 131 LEU HG . 30515 1 961 . 1 1 109 109 LEU HD11 H 1 0.529 0 . 1 . . . . A 131 LEU HD11 . 30515 1 962 . 1 1 109 109 LEU HD12 H 1 0.529 0 . 1 . . . . A 131 LEU HD12 . 30515 1 963 . 1 1 109 109 LEU HD13 H 1 0.529 0 . 1 . . . . A 131 LEU HD13 . 30515 1 964 . 1 1 109 109 LEU HD21 H 1 0.501 0 . 1 . . . . A 131 LEU HD21 . 30515 1 965 . 1 1 109 109 LEU HD22 H 1 0.501 0 . 1 . . . . A 131 LEU HD22 . 30515 1 966 . 1 1 109 109 LEU HD23 H 1 0.501 0 . 1 . . . . A 131 LEU HD23 . 30515 1 967 . 1 1 109 109 LEU CA C 13 53.322 0.06 . 1 . . . . A 131 LEU CA . 30515 1 968 . 1 1 109 109 LEU CB C 13 41.107 0.01 . 1 . . . . A 131 LEU CB . 30515 1 969 . 1 1 109 109 LEU CG C 13 23.49 0 . 1 . . . . A 131 LEU CG . 30515 1 970 . 1 1 109 109 LEU CD1 C 13 23.255 0.11 . 1 . . . . A 131 LEU CD1 . 30515 1 971 . 1 1 109 109 LEU CD2 C 13 18.054 0.03 . 1 . . . . A 131 LEU CD2 . 30515 1 972 . 1 1 109 109 LEU N N 15 113.429 0.04 . 1 . . . . A 131 LEU N . 30515 1 973 . 1 1 110 110 ILE H H 1 7.513 0.01 . 1 . . . . A 132 ILE H . 30515 1 974 . 1 1 110 110 ILE HA H 1 4.495 0 . 1 . . . . A 132 ILE HA . 30515 1 975 . 1 1 110 110 ILE HB H 1 2.115 0 . 1 . . . . A 132 ILE HB . 30515 1 976 . 1 1 110 110 ILE HG12 H 1 1.095 0.01 . 1 . . . . A 132 ILE HG12 . 30515 1 977 . 1 1 110 110 ILE HG13 H 1 0.658 0 . 1 . . . . A 132 ILE HG13 . 30515 1 978 . 1 1 110 110 ILE HG21 H 1 0.76 0 . 1 . . . . A 132 ILE HG21 . 30515 1 979 . 1 1 110 110 ILE HG22 H 1 0.76 0 . 1 . . . . A 132 ILE HG22 . 30515 1 980 . 1 1 110 110 ILE HG23 H 1 0.76 0 . 1 . . . . A 132 ILE HG23 . 30515 1 981 . 1 1 110 110 ILE HD11 H 1 0.053 0 . 1 . . . . A 132 ILE HD11 . 30515 1 982 . 1 1 110 110 ILE HD12 H 1 0.053 0 . 1 . . . . A 132 ILE HD12 . 30515 1 983 . 1 1 110 110 ILE HD13 H 1 0.053 0 . 1 . . . . A 132 ILE HD13 . 30515 1 984 . 1 1 110 110 ILE CA C 13 59.605 0.05 . 1 . . . . A 132 ILE CA . 30515 1 985 . 1 1 110 110 ILE CB C 13 35.393 0.03 . 1 . . . . A 132 ILE CB . 30515 1 986 . 1 1 110 110 ILE CG1 C 13 22.463 0.05 . 1 . . . . A 132 ILE CG1 . 30515 1 987 . 1 1 110 110 ILE CG2 C 13 16.097 0.05 . 1 . . . . A 132 ILE CG2 . 30515 1 988 . 1 1 110 110 ILE CD1 C 13 8.903 0.12 . 1 . . . . A 132 ILE CD1 . 30515 1 989 . 1 1 110 110 ILE N N 15 109.598 0.07 . 1 . . . . A 132 ILE N . 30515 1 990 . 1 1 111 111 ARG H H 1 8.22 0 . 1 . . . . A 133 ARG H . 30515 1 991 . 1 1 111 111 ARG HA H 1 4.515 0.01 . 1 . . . . A 133 ARG HA . 30515 1 992 . 1 1 111 111 ARG HB2 H 1 1.933 0.01 . 1 . . . . A 133 ARG HB2 . 30515 1 993 . 1 1 111 111 ARG HB3 H 1 1.942 0 . 1 . . . . A 133 ARG HB3 . 30515 1 994 . 1 1 111 111 ARG HG2 H 1 0.745 0 . 1 . . . . A 133 ARG HG2 . 30515 1 995 . 1 1 111 111 ARG HD2 H 1 2.116 0 . 1 . . . . A 133 ARG HD2 . 30515 1 996 . 1 1 111 111 ARG CA C 13 54.325 0.05 . 1 . . . . A 133 ARG CA . 30515 1 997 . 1 1 111 111 ARG CB C 13 27.552 0 . 1 . . . . A 133 ARG CB . 30515 1 998 . 1 1 111 111 ARG N N 15 120.874 0.05 . 1 . . . . A 133 ARG N . 30515 1 stop_ save_