data_10110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10110 _Entry.Title ; Solution Structure of the Gas2 Domain of the Growth Arrest Specific 2 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 10110 2 S. Koshiba . . . 10110 3 M. Inoue . . . 10110 4 T. Kigawa . . . 10110 5 S. Yokoyama . . . 10110 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 10110 '15N chemical shifts' 79 10110 '1H chemical shifts' 619 10110 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 . . 2010-05-25 2007-02-13 update BMRB 'update entity name' 10110 1 . . 2008-08-29 2007-02-13 original author 'original release' 10110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V5R 'BMRB Entry Tracking System' 10110 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the Gas2 Domain of the Growth Arrest Specific 2 Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 10110 1 2 S. Koshiba . . . 10110 1 3 M. Inoue . . . 10110 1 4 T. Kigawa . . . 10110 1 5 S. Yokoyama . . . 10110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10110 _Assembly.ID 1 _Assembly.Name 'Growth-arrest-specific protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Growth-arrest-specific protein 2' 1 $entity_1 A . yes native no no . . . 10110 1 2 'zinc ion' 2 $ZN B . no native no no . . . 10110 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 'zinc ion' 2 ZN 1 1 ZN . 1 'Growth-arrest-specific protein 2' 1 CYS 23 23 SG . . . . . . . . . . 10110 1 2 coordination single . 2 'zinc ion' 2 ZN 1 1 ZN . 1 'Growth-arrest-specific protein 2' 1 CYS 25 25 SG . . . . . . . . . . 10110 1 3 coordination single . 2 'zinc ion' 2 ZN 1 1 ZN . 1 'Growth-arrest-specific protein 2' 1 ASP 75 75 OD1 . . . . . . . . . . 10110 1 4 coordination single . 2 'zinc ion' 2 ZN 1 1 ZN . 1 'Growth-arrest-specific protein 2' 1 CYS 77 77 SG . . . . . . . . . . 10110 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 77 77 HG . 77 CYS HG 10110 1 . . 1 1 CYS 25 25 HG . 25 CYS HG 10110 1 . . 1 1 CYS 23 23 HG . 23 CYS HG 10110 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1V5R . . 'solution NMR' . . . 10110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Growth-arrest-specific protein 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGNLLDDAVKRISED PPCKCPTKFCVERLSQGRYR VGEKILFIRMLHNKHVMVRV GGGWETFAGYLLKHDPCRML QISRVDGKTSPSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V5R . "Solution Structure Of The Gas2 Domain Of The Growth Arrest Specific 2 Protein" . . . . . 100.00 97 100.00 100.00 6.66e-64 . . . . 10110 1 2 no DBJ BAB29405 . "unnamed protein product [Mus musculus]" . . . . . 89.69 256 98.85 100.00 2.69e-56 . . . . 10110 1 3 no DBJ BAG36475 . "unnamed protein product [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 4 no DBJ BAJ20935 . "growth arrest-specific 2 [synthetic construct]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 5 no EMBL CAG29281 . "GAS2 [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 6 no GB AAA37660 . "growth-arrest-specific gas2 protein [Mus musculus]" . . . . . 89.69 314 98.85 100.00 8.95e-56 . . . . 10110 1 7 no GB AAC52058 . "growth-arrest-specific protein 2 [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 8 no GB AAH13456 . "Growth arrest specific 2 [Mus musculus]" . . . . . 89.69 314 98.85 100.00 8.95e-56 . . . . 10110 1 9 no GB AAH40470 . "Growth arrest-specific 2 [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 10 no GB AAH53446 . "Gas2 protein [Mus musculus]" . . . . . 89.69 314 98.85 100.00 8.95e-56 . . . . 10110 1 11 no REF NP_001098471 . "growth arrest-specific protein 2 [Bos taurus]" . . . . . 89.69 313 97.70 100.00 3.45e-55 . . . . 10110 1 12 no REF NP_001120976 . "growth arrest-specific protein 2 [Rattus norvegicus]" . . . . . 89.69 314 98.85 100.00 8.48e-56 . . . . 10110 1 13 no REF NP_001137302 . "growth arrest-specific protein 2 [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 14 no REF NP_001244553 . "growth arrest-specific protein 2 [Macaca mulatta]" . . . . . 89.69 313 97.70 98.85 6.79e-55 . . . . 10110 1 15 no REF NP_005247 . "growth arrest-specific protein 2 [Homo sapiens]" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 16 no SP O43903 . "RecName: Full=Growth arrest-specific protein 2; Short=GAS-2" . . . . . 89.69 313 97.70 98.85 5.14e-55 . . . . 10110 1 17 no SP P11862 . "RecName: Full=Growth arrest-specific protein 2; Short=GAS-2" . . . . . 89.69 314 98.85 100.00 8.95e-56 . . . . 10110 1 18 no TPG DAA14022 . "TPA: growth arrest-specific 2 [Bos taurus]" . . . . . 89.69 313 97.70 100.00 3.45e-55 . . . . 10110 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Gas2 Domain' . 10110 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10110 1 2 . SER . 10110 1 3 . SER . 10110 1 4 . GLY . 10110 1 5 . SER . 10110 1 6 . SER . 10110 1 7 . GLY . 10110 1 8 . ASN . 10110 1 9 . LEU . 10110 1 10 . LEU . 10110 1 11 . ASP . 10110 1 12 . ASP . 10110 1 13 . ALA . 10110 1 14 . VAL . 10110 1 15 . LYS . 10110 1 16 . ARG . 10110 1 17 . ILE . 10110 1 18 . SER . 10110 1 19 . GLU . 10110 1 20 . ASP . 10110 1 21 . PRO . 10110 1 22 . PRO . 10110 1 23 . CYS . 10110 1 24 . LYS . 10110 1 25 . CYS . 10110 1 26 . PRO . 10110 1 27 . THR . 10110 1 28 . LYS . 10110 1 29 . PHE . 10110 1 30 . CYS . 10110 1 31 . VAL . 10110 1 32 . GLU . 10110 1 33 . ARG . 10110 1 34 . LEU . 10110 1 35 . SER . 10110 1 36 . GLN . 10110 1 37 . GLY . 10110 1 38 . ARG . 10110 1 39 . TYR . 10110 1 40 . ARG . 10110 1 41 . VAL . 10110 1 42 . GLY . 10110 1 43 . GLU . 10110 1 44 . LYS . 10110 1 45 . ILE . 10110 1 46 . LEU . 10110 1 47 . PHE . 10110 1 48 . ILE . 10110 1 49 . ARG . 10110 1 50 . MET . 10110 1 51 . LEU . 10110 1 52 . HIS . 10110 1 53 . ASN . 10110 1 54 . LYS . 10110 1 55 . HIS . 10110 1 56 . VAL . 10110 1 57 . MET . 10110 1 58 . VAL . 10110 1 59 . ARG . 10110 1 60 . VAL . 10110 1 61 . GLY . 10110 1 62 . GLY . 10110 1 63 . GLY . 10110 1 64 . TRP . 10110 1 65 . GLU . 10110 1 66 . THR . 10110 1 67 . PHE . 10110 1 68 . ALA . 10110 1 69 . GLY . 10110 1 70 . TYR . 10110 1 71 . LEU . 10110 1 72 . LEU . 10110 1 73 . LYS . 10110 1 74 . HIS . 10110 1 75 . ASP . 10110 1 76 . PRO . 10110 1 77 . CYS . 10110 1 78 . ARG . 10110 1 79 . MET . 10110 1 80 . LEU . 10110 1 81 . GLN . 10110 1 82 . ILE . 10110 1 83 . SER . 10110 1 84 . ARG . 10110 1 85 . VAL . 10110 1 86 . ASP . 10110 1 87 . GLY . 10110 1 88 . LYS . 10110 1 89 . THR . 10110 1 90 . SER . 10110 1 91 . PRO . 10110 1 92 . SER . 10110 1 93 . GLY . 10110 1 94 . PRO . 10110 1 95 . SER . 10110 1 96 . SER . 10110 1 97 . GLY . 10110 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10110 1 . SER 2 2 10110 1 . SER 3 3 10110 1 . GLY 4 4 10110 1 . SER 5 5 10110 1 . SER 6 6 10110 1 . GLY 7 7 10110 1 . ASN 8 8 10110 1 . LEU 9 9 10110 1 . LEU 10 10 10110 1 . ASP 11 11 10110 1 . ASP 12 12 10110 1 . ALA 13 13 10110 1 . VAL 14 14 10110 1 . LYS 15 15 10110 1 . ARG 16 16 10110 1 . ILE 17 17 10110 1 . SER 18 18 10110 1 . GLU 19 19 10110 1 . ASP 20 20 10110 1 . PRO 21 21 10110 1 . PRO 22 22 10110 1 . CYS 23 23 10110 1 . LYS 24 24 10110 1 . CYS 25 25 10110 1 . PRO 26 26 10110 1 . THR 27 27 10110 1 . LYS 28 28 10110 1 . PHE 29 29 10110 1 . CYS 30 30 10110 1 . VAL 31 31 10110 1 . GLU 32 32 10110 1 . ARG 33 33 10110 1 . LEU 34 34 10110 1 . SER 35 35 10110 1 . GLN 36 36 10110 1 . GLY 37 37 10110 1 . ARG 38 38 10110 1 . TYR 39 39 10110 1 . ARG 40 40 10110 1 . VAL 41 41 10110 1 . GLY 42 42 10110 1 . GLU 43 43 10110 1 . LYS 44 44 10110 1 . ILE 45 45 10110 1 . LEU 46 46 10110 1 . PHE 47 47 10110 1 . ILE 48 48 10110 1 . ARG 49 49 10110 1 . MET 50 50 10110 1 . LEU 51 51 10110 1 . HIS 52 52 10110 1 . ASN 53 53 10110 1 . LYS 54 54 10110 1 . HIS 55 55 10110 1 . VAL 56 56 10110 1 . MET 57 57 10110 1 . VAL 58 58 10110 1 . ARG 59 59 10110 1 . VAL 60 60 10110 1 . GLY 61 61 10110 1 . GLY 62 62 10110 1 . GLY 63 63 10110 1 . TRP 64 64 10110 1 . GLU 65 65 10110 1 . THR 66 66 10110 1 . PHE 67 67 10110 1 . ALA 68 68 10110 1 . GLY 69 69 10110 1 . TYR 70 70 10110 1 . LEU 71 71 10110 1 . LEU 72 72 10110 1 . LYS 73 73 10110 1 . HIS 74 74 10110 1 . ASP 75 75 10110 1 . PRO 76 76 10110 1 . CYS 77 77 10110 1 . ARG 78 78 10110 1 . MET 79 79 10110 1 . LEU 80 80 10110 1 . GLN 81 81 10110 1 . ILE 82 82 10110 1 . SER 83 83 10110 1 . ARG 84 84 10110 1 . VAL 85 85 10110 1 . ASP 86 86 10110 1 . GLY 87 87 10110 1 . LYS 88 88 10110 1 . THR 89 89 10110 1 . SER 90 90 10110 1 . PRO 91 91 10110 1 . SER 92 92 10110 1 . GLY 93 93 10110 1 . PRO 94 94 10110 1 . SER 95 95 10110 1 . SER 96 96 10110 1 . GLY 97 97 10110 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10110 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 10110 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 10110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10110 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 10110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020417-07 . . . . . . 10110 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 10110 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011 ; _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 InChI=1S/Zn/q+2 InChI InChI 1.03 10110 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10110 ZN [Zn++] SMILES CACTVS 3.341 10110 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10110 ZN [Zn+2] SMILES ACDLabs 10.04 10110 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10110 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10110 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 10110 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10110 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 10110 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Gas2 Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.03 . . mM . . . . 10110 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10110 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10110 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10110 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10110 1 6 ZnCl2 . . . . . . . 100 . . uM . . . . 10110 1 7 H2O . . . . . . solvent 90 . . % . . . . 10110 1 8 D2O . . . . . . solvent 10 . . % . . . . 10110 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10110 _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' 120 0.1 mM 10110 1 pH 7.5 0.05 pH 10110 1 pressure 1 0.001 atm 10110 1 temperature 298 0.1 K 10110 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10110 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10110 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10110 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10110 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10110 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10110 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10110 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10110 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10110 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10110 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10110 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10110 5 'structure solution' 10110 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10110 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10110 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 10110 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10110 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10110 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10110 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10110 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 10110 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10110 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ASN H H 1 9.175 0.030 . 1 . . . . 8 ASN H . 10110 1 2 . 1 1 8 8 ASN HA H 1 4.781 0.030 . 1 . . . . 8 ASN HA . 10110 1 3 . 1 1 8 8 ASN HB2 H 1 2.754 0.030 . 2 . . . . 8 ASN HB2 . 10110 1 4 . 1 1 8 8 ASN HB3 H 1 2.955 0.030 . 2 . . . . 8 ASN HB3 . 10110 1 5 . 1 1 8 8 ASN HD21 H 1 7.084 0.030 . 2 . . . . 8 ASN HD21 . 10110 1 6 . 1 1 8 8 ASN HD22 H 1 7.724 0.030 . 2 . . . . 8 ASN HD22 . 10110 1 7 . 1 1 8 8 ASN CA C 13 53.451 0.300 . 1 . . . . 8 ASN CA . 10110 1 8 . 1 1 8 8 ASN CB C 13 39.319 0.300 . 1 . . . . 8 ASN CB . 10110 1 9 . 1 1 8 8 ASN ND2 N 15 113.696 0.300 . 1 . . . . 8 ASN ND2 . 10110 1 10 . 1 1 9 9 LEU H H 1 8.161 0.030 . 1 . . . . 9 LEU H . 10110 1 11 . 1 1 9 9 LEU HA H 1 4.119 0.030 . 1 . . . . 9 LEU HA . 10110 1 12 . 1 1 9 9 LEU HB2 H 1 1.744 0.030 . 2 . . . . 9 LEU HB2 . 10110 1 13 . 1 1 9 9 LEU HB3 H 1 1.544 0.030 . 2 . . . . 9 LEU HB3 . 10110 1 14 . 1 1 9 9 LEU HG H 1 1.672 0.030 . 1 . . . . 9 LEU HG . 10110 1 15 . 1 1 9 9 LEU HD11 H 1 0.897 0.030 . 1 . . . . 9 LEU HD1 . 10110 1 16 . 1 1 9 9 LEU HD12 H 1 0.897 0.030 . 1 . . . . 9 LEU HD1 . 10110 1 17 . 1 1 9 9 LEU HD13 H 1 0.897 0.030 . 1 . . . . 9 LEU HD1 . 10110 1 18 . 1 1 9 9 LEU HD21 H 1 0.949 0.030 . 1 . . . . 9 LEU HD2 . 10110 1 19 . 1 1 9 9 LEU HD22 H 1 0.949 0.030 . 1 . . . . 9 LEU HD2 . 10110 1 20 . 1 1 9 9 LEU HD23 H 1 0.949 0.030 . 1 . . . . 9 LEU HD2 . 10110 1 21 . 1 1 9 9 LEU C C 13 179.294 0.300 . 1 . . . . 9 LEU C . 10110 1 22 . 1 1 9 9 LEU CA C 13 58.024 0.300 . 1 . . . . 9 LEU CA . 10110 1 23 . 1 1 9 9 LEU CB C 13 42.249 0.300 . 1 . . . . 9 LEU CB . 10110 1 24 . 1 1 9 9 LEU CG C 13 27.049 0.300 . 1 . . . . 9 LEU CG . 10110 1 25 . 1 1 9 9 LEU CD1 C 13 23.739 0.300 . 2 . . . . 9 LEU CD1 . 10110 1 26 . 1 1 9 9 LEU CD2 C 13 24.899 0.300 . 2 . . . . 9 LEU CD2 . 10110 1 27 . 1 1 9 9 LEU N N 15 122.706 0.300 . 1 . . . . 9 LEU N . 10110 1 28 . 1 1 10 10 LEU H H 1 8.108 0.030 . 1 . . . . 10 LEU H . 10110 1 29 . 1 1 10 10 LEU HA H 1 4.143 0.030 . 1 . . . . 10 LEU HA . 10110 1 30 . 1 1 10 10 LEU HB2 H 1 1.602 0.030 . 2 . . . . 10 LEU HB2 . 10110 1 31 . 1 1 10 10 LEU HB3 H 1 1.933 0.030 . 2 . . . . 10 LEU HB3 . 10110 1 32 . 1 1 10 10 LEU HG H 1 1.513 0.030 . 1 . . . . 10 LEU HG . 10110 1 33 . 1 1 10 10 LEU HD11 H 1 0.802 0.030 . 1 . . . . 10 LEU HD1 . 10110 1 34 . 1 1 10 10 LEU HD12 H 1 0.802 0.030 . 1 . . . . 10 LEU HD1 . 10110 1 35 . 1 1 10 10 LEU HD13 H 1 0.802 0.030 . 1 . . . . 10 LEU HD1 . 10110 1 36 . 1 1 10 10 LEU HD21 H 1 0.989 0.030 . 1 . . . . 10 LEU HD2 . 10110 1 37 . 1 1 10 10 LEU HD22 H 1 0.989 0.030 . 1 . . . . 10 LEU HD2 . 10110 1 38 . 1 1 10 10 LEU HD23 H 1 0.989 0.030 . 1 . . . . 10 LEU HD2 . 10110 1 39 . 1 1 10 10 LEU C C 13 177.686 0.300 . 1 . . . . 10 LEU C . 10110 1 40 . 1 1 10 10 LEU CA C 13 58.249 0.300 . 1 . . . . 10 LEU CA . 10110 1 41 . 1 1 10 10 LEU CB C 13 41.304 0.300 . 1 . . . . 10 LEU CB . 10110 1 42 . 1 1 10 10 LEU CG C 13 27.079 0.300 . 1 . . . . 10 LEU CG . 10110 1 43 . 1 1 10 10 LEU CD1 C 13 24.603 0.300 . 2 . . . . 10 LEU CD1 . 10110 1 44 . 1 1 10 10 LEU CD2 C 13 26.141 0.300 . 2 . . . . 10 LEU CD2 . 10110 1 45 . 1 1 10 10 LEU N N 15 120.653 0.300 . 1 . . . . 10 LEU N . 10110 1 46 . 1 1 11 11 ASP H H 1 8.090 0.030 . 1 . . . . 11 ASP H . 10110 1 47 . 1 1 11 11 ASP HA H 1 4.376 0.030 . 1 . . . . 11 ASP HA . 10110 1 48 . 1 1 11 11 ASP HB2 H 1 2.709 0.030 . 2 . . . . 11 ASP HB2 . 10110 1 49 . 1 1 11 11 ASP HB3 H 1 2.651 0.030 . 2 . . . . 11 ASP HB3 . 10110 1 50 . 1 1 11 11 ASP C C 13 178.770 0.300 . 1 . . . . 11 ASP C . 10110 1 51 . 1 1 11 11 ASP CA C 13 57.799 0.300 . 1 . . . . 11 ASP CA . 10110 1 52 . 1 1 11 11 ASP CB C 13 41.212 0.300 . 1 . . . . 11 ASP CB . 10110 1 53 . 1 1 11 11 ASP N N 15 118.093 0.300 . 1 . . . . 11 ASP N . 10110 1 54 . 1 1 12 12 ASP H H 1 8.234 0.030 . 1 . . . . 12 ASP H . 10110 1 55 . 1 1 12 12 ASP HA H 1 4.372 0.030 . 1 . . . . 12 ASP HA . 10110 1 56 . 1 1 12 12 ASP HB2 H 1 2.764 0.030 . 2 . . . . 12 ASP HB2 . 10110 1 57 . 1 1 12 12 ASP HB3 H 1 2.634 0.030 . 2 . . . . 12 ASP HB3 . 10110 1 58 . 1 1 12 12 ASP C C 13 178.401 0.300 . 1 . . . . 12 ASP C . 10110 1 59 . 1 1 12 12 ASP CA C 13 57.282 0.300 . 1 . . . . 12 ASP CA . 10110 1 60 . 1 1 12 12 ASP CB C 13 40.310 0.300 . 1 . . . . 12 ASP CB . 10110 1 61 . 1 1 12 12 ASP N N 15 118.277 0.300 . 1 . . . . 12 ASP N . 10110 1 62 . 1 1 13 13 ALA H H 1 7.843 0.030 . 1 . . . . 13 ALA H . 10110 1 63 . 1 1 13 13 ALA HA H 1 4.171 0.030 . 1 . . . . 13 ALA HA . 10110 1 64 . 1 1 13 13 ALA HB1 H 1 1.504 0.030 . 1 . . . . 13 ALA HB . 10110 1 65 . 1 1 13 13 ALA HB2 H 1 1.504 0.030 . 1 . . . . 13 ALA HB . 10110 1 66 . 1 1 13 13 ALA HB3 H 1 1.504 0.030 . 1 . . . . 13 ALA HB . 10110 1 67 . 1 1 13 13 ALA C C 13 179.850 0.300 . 1 . . . . 13 ALA C . 10110 1 68 . 1 1 13 13 ALA CA C 13 55.278 0.300 . 1 . . . . 13 ALA CA . 10110 1 69 . 1 1 13 13 ALA CB C 13 18.994 0.300 . 1 . . . . 13 ALA CB . 10110 1 70 . 1 1 13 13 ALA N N 15 123.699 0.300 . 1 . . . . 13 ALA N . 10110 1 71 . 1 1 14 14 VAL H H 1 8.493 0.030 . 1 . . . . 14 VAL H . 10110 1 72 . 1 1 14 14 VAL HA H 1 3.328 0.030 . 1 . . . . 14 VAL HA . 10110 1 73 . 1 1 14 14 VAL HB H 1 1.925 0.030 . 1 . . . . 14 VAL HB . 10110 1 74 . 1 1 14 14 VAL HG11 H 1 0.260 0.030 . 1 . . . . 14 VAL HG1 . 10110 1 75 . 1 1 14 14 VAL HG12 H 1 0.260 0.030 . 1 . . . . 14 VAL HG1 . 10110 1 76 . 1 1 14 14 VAL HG13 H 1 0.260 0.030 . 1 . . . . 14 VAL HG1 . 10110 1 77 . 1 1 14 14 VAL HG21 H 1 0.262 0.030 . 1 . . . . 14 VAL HG2 . 10110 1 78 . 1 1 14 14 VAL HG22 H 1 0.262 0.030 . 1 . . . . 14 VAL HG2 . 10110 1 79 . 1 1 14 14 VAL HG23 H 1 0.262 0.030 . 1 . . . . 14 VAL HG2 . 10110 1 80 . 1 1 14 14 VAL C C 13 178.807 0.300 . 1 . . . . 14 VAL C . 10110 1 81 . 1 1 14 14 VAL CA C 13 67.009 0.300 . 1 . . . . 14 VAL CA . 10110 1 82 . 1 1 14 14 VAL CB C 13 31.707 0.300 . 1 . . . . 14 VAL CB . 10110 1 83 . 1 1 14 14 VAL CG1 C 13 21.090 0.300 . 2 . . . . 14 VAL CG1 . 10110 1 84 . 1 1 14 14 VAL CG2 C 13 23.625 0.300 . 2 . . . . 14 VAL CG2 . 10110 1 85 . 1 1 14 14 VAL N N 15 119.266 0.300 . 1 . . . . 14 VAL N . 10110 1 86 . 1 1 15 15 LYS H H 1 8.015 0.030 . 1 . . . . 15 LYS H . 10110 1 87 . 1 1 15 15 LYS HA H 1 4.021 0.030 . 1 . . . . 15 LYS HA . 10110 1 88 . 1 1 15 15 LYS HB2 H 1 1.945 0.030 . 1 . . . . 15 LYS HB2 . 10110 1 89 . 1 1 15 15 LYS HB3 H 1 1.945 0.030 . 1 . . . . 15 LYS HB3 . 10110 1 90 . 1 1 15 15 LYS HG2 H 1 1.414 0.030 . 2 . . . . 15 LYS HG2 . 10110 1 91 . 1 1 15 15 LYS HG3 H 1 1.555 0.030 . 2 . . . . 15 LYS HG3 . 10110 1 92 . 1 1 15 15 LYS HD2 H 1 1.738 0.030 . 1 . . . . 15 LYS HD2 . 10110 1 93 . 1 1 15 15 LYS HD3 H 1 1.738 0.030 . 1 . . . . 15 LYS HD3 . 10110 1 94 . 1 1 15 15 LYS HE2 H 1 3.073 0.030 . 1 . . . . 15 LYS HE2 . 10110 1 95 . 1 1 15 15 LYS HE3 H 1 3.073 0.030 . 1 . . . . 15 LYS HE3 . 10110 1 96 . 1 1 15 15 LYS C C 13 178.582 0.300 . 1 . . . . 15 LYS C . 10110 1 97 . 1 1 15 15 LYS CA C 13 59.555 0.300 . 1 . . . . 15 LYS CA . 10110 1 98 . 1 1 15 15 LYS CB C 13 32.142 0.300 . 1 . . . . 15 LYS CB . 10110 1 99 . 1 1 15 15 LYS CG C 13 25.022 0.300 . 1 . . . . 15 LYS CG . 10110 1 100 . 1 1 15 15 LYS CD C 13 30.174 0.300 . 1 . . . . 15 LYS CD . 10110 1 101 . 1 1 15 15 LYS CE C 13 42.139 0.300 . 1 . . . . 15 LYS CE . 10110 1 102 . 1 1 15 15 LYS N N 15 120.365 0.300 . 1 . . . . 15 LYS N . 10110 1 103 . 1 1 16 16 ARG H H 1 7.998 0.030 . 1 . . . . 16 ARG H . 10110 1 104 . 1 1 16 16 ARG HA H 1 4.040 0.030 . 1 . . . . 16 ARG HA . 10110 1 105 . 1 1 16 16 ARG HB2 H 1 2.012 0.030 . 1 . . . . 16 ARG HB2 . 10110 1 106 . 1 1 16 16 ARG HB3 H 1 2.012 0.030 . 1 . . . . 16 ARG HB3 . 10110 1 107 . 1 1 16 16 ARG HG2 H 1 1.675 0.030 . 2 . . . . 16 ARG HG2 . 10110 1 108 . 1 1 16 16 ARG HG3 H 1 1.814 0.030 . 2 . . . . 16 ARG HG3 . 10110 1 109 . 1 1 16 16 ARG HD2 H 1 3.265 0.030 . 1 . . . . 16 ARG HD2 . 10110 1 110 . 1 1 16 16 ARG HD3 H 1 3.265 0.030 . 1 . . . . 16 ARG HD3 . 10110 1 111 . 1 1 16 16 ARG C C 13 179.489 0.300 . 1 . . . . 16 ARG C . 10110 1 112 . 1 1 16 16 ARG CA C 13 59.633 0.300 . 1 . . . . 16 ARG CA . 10110 1 113 . 1 1 16 16 ARG CB C 13 30.029 0.300 . 1 . . . . 16 ARG CB . 10110 1 114 . 1 1 16 16 ARG CG C 13 27.580 0.300 . 1 . . . . 16 ARG CG . 10110 1 115 . 1 1 16 16 ARG CD C 13 43.388 0.300 . 1 . . . . 16 ARG CD . 10110 1 116 . 1 1 16 16 ARG N N 15 118.213 0.300 . 1 . . . . 16 ARG N . 10110 1 117 . 1 1 17 17 ILE H H 1 8.176 0.030 . 1 . . . . 17 ILE H . 10110 1 118 . 1 1 17 17 ILE HA H 1 3.956 0.030 . 1 . . . . 17 ILE HA . 10110 1 119 . 1 1 17 17 ILE HB H 1 2.033 0.030 . 1 . . . . 17 ILE HB . 10110 1 120 . 1 1 17 17 ILE HG12 H 1 1.325 0.030 . 2 . . . . 17 ILE HG12 . 10110 1 121 . 1 1 17 17 ILE HG13 H 1 2.018 0.030 . 2 . . . . 17 ILE HG13 . 10110 1 122 . 1 1 17 17 ILE HG21 H 1 0.898 0.030 . 1 . . . . 17 ILE HG2 . 10110 1 123 . 1 1 17 17 ILE HG22 H 1 0.898 0.030 . 1 . . . . 17 ILE HG2 . 10110 1 124 . 1 1 17 17 ILE HG23 H 1 0.898 0.030 . 1 . . . . 17 ILE HG2 . 10110 1 125 . 1 1 17 17 ILE HD11 H 1 1.177 0.030 . 1 . . . . 17 ILE HD1 . 10110 1 126 . 1 1 17 17 ILE HD12 H 1 1.177 0.030 . 1 . . . . 17 ILE HD1 . 10110 1 127 . 1 1 17 17 ILE HD13 H 1 1.177 0.030 . 1 . . . . 17 ILE HD1 . 10110 1 128 . 1 1 17 17 ILE C C 13 178.855 0.300 . 1 . . . . 17 ILE C . 10110 1 129 . 1 1 17 17 ILE CA C 13 64.719 0.300 . 1 . . . . 17 ILE CA . 10110 1 130 . 1 1 17 17 ILE CB C 13 38.971 0.300 . 1 . . . . 17 ILE CB . 10110 1 131 . 1 1 17 17 ILE CG1 C 13 29.876 0.300 . 1 . . . . 17 ILE CG1 . 10110 1 132 . 1 1 17 17 ILE CG2 C 13 17.629 0.300 . 1 . . . . 17 ILE CG2 . 10110 1 133 . 1 1 17 17 ILE CD1 C 13 14.944 0.300 . 1 . . . . 17 ILE CD1 . 10110 1 134 . 1 1 17 17 ILE N N 15 118.513 0.300 . 1 . . . . 17 ILE N . 10110 1 135 . 1 1 18 18 SER H H 1 8.344 0.030 . 1 . . . . 18 SER H . 10110 1 136 . 1 1 18 18 SER HA H 1 4.142 0.030 . 1 . . . . 18 SER HA . 10110 1 137 . 1 1 18 18 SER HB2 H 1 4.033 0.030 . 2 . . . . 18 SER HB2 . 10110 1 138 . 1 1 18 18 SER HB3 H 1 4.279 0.030 . 2 . . . . 18 SER HB3 . 10110 1 139 . 1 1 18 18 SER C C 13 174.106 0.300 . 1 . . . . 18 SER C . 10110 1 140 . 1 1 18 18 SER CA C 13 60.849 0.300 . 1 . . . . 18 SER CA . 10110 1 141 . 1 1 18 18 SER CB C 13 63.849 0.300 . 1 . . . . 18 SER CB . 10110 1 142 . 1 1 18 18 SER N N 15 113.615 0.300 . 1 . . . . 18 SER N . 10110 1 143 . 1 1 19 19 GLU H H 1 7.465 0.030 . 1 . . . . 19 GLU H . 10110 1 144 . 1 1 19 19 GLU HA H 1 4.313 0.030 . 1 . . . . 19 GLU HA . 10110 1 145 . 1 1 19 19 GLU HB2 H 1 2.354 0.030 . 2 . . . . 19 GLU HB2 . 10110 1 146 . 1 1 19 19 GLU HB3 H 1 1.877 0.030 . 2 . . . . 19 GLU HB3 . 10110 1 147 . 1 1 19 19 GLU HG2 H 1 2.268 0.030 . 2 . . . . 19 GLU HG2 . 10110 1 148 . 1 1 19 19 GLU HG3 H 1 2.508 0.030 . 2 . . . . 19 GLU HG3 . 10110 1 149 . 1 1 19 19 GLU C C 13 174.021 0.300 . 1 . . . . 19 GLU C . 10110 1 150 . 1 1 19 19 GLU CA C 13 55.315 0.300 . 1 . . . . 19 GLU CA . 10110 1 151 . 1 1 19 19 GLU CB C 13 29.621 0.300 . 1 . . . . 19 GLU CB . 10110 1 152 . 1 1 19 19 GLU CG C 13 36.364 0.300 . 1 . . . . 19 GLU CG . 10110 1 153 . 1 1 19 19 GLU N N 15 118.700 0.300 . 1 . . . . 19 GLU N . 10110 1 154 . 1 1 20 20 ASP H H 1 6.872 0.030 . 1 . . . . 20 ASP H . 10110 1 155 . 1 1 20 20 ASP HA H 1 5.205 0.030 . 1 . . . . 20 ASP HA . 10110 1 156 . 1 1 20 20 ASP HB2 H 1 2.477 0.030 . 2 . . . . 20 ASP HB2 . 10110 1 157 . 1 1 20 20 ASP HB3 H 1 3.009 0.030 . 2 . . . . 20 ASP HB3 . 10110 1 158 . 1 1 20 20 ASP C C 13 172.923 0.300 . 1 . . . . 20 ASP C . 10110 1 159 . 1 1 20 20 ASP CA C 13 51.009 0.300 . 1 . . . . 20 ASP CA . 10110 1 160 . 1 1 20 20 ASP CB C 13 42.278 0.300 . 1 . . . . 20 ASP CB . 10110 1 161 . 1 1 20 20 ASP N N 15 118.615 0.300 . 1 . . . . 20 ASP N . 10110 1 162 . 1 1 21 21 PRO HA H 1 5.072 0.030 . 1 . . . . 21 PRO HA . 10110 1 163 . 1 1 21 21 PRO HB2 H 1 2.168 0.030 . 2 . . . . 21 PRO HB2 . 10110 1 164 . 1 1 21 21 PRO HB3 H 1 2.382 0.030 . 2 . . . . 21 PRO HB3 . 10110 1 165 . 1 1 21 21 PRO HG2 H 1 1.728 0.030 . 2 . . . . 21 PRO HG2 . 10110 1 166 . 1 1 21 21 PRO HG3 H 1 1.917 0.030 . 2 . . . . 21 PRO HG3 . 10110 1 167 . 1 1 21 21 PRO HD2 H 1 3.463 0.030 . 2 . . . . 21 PRO HD2 . 10110 1 168 . 1 1 21 21 PRO HD3 H 1 3.492 0.030 . 2 . . . . 21 PRO HD3 . 10110 1 169 . 1 1 21 21 PRO CA C 13 62.314 0.300 . 1 . . . . 21 PRO CA . 10110 1 170 . 1 1 21 21 PRO CB C 13 32.786 0.300 . 1 . . . . 21 PRO CB . 10110 1 171 . 1 1 21 21 PRO CG C 13 24.145 0.300 . 1 . . . . 21 PRO CG . 10110 1 172 . 1 1 21 21 PRO CD C 13 50.048 0.300 . 1 . . . . 21 PRO CD . 10110 1 173 . 1 1 22 22 PRO HA H 1 4.731 0.030 . 1 . . . . 22 PRO HA . 10110 1 174 . 1 1 22 22 PRO HB2 H 1 1.873 0.030 . 2 . . . . 22 PRO HB2 . 10110 1 175 . 1 1 22 22 PRO HB3 H 1 2.404 0.030 . 2 . . . . 22 PRO HB3 . 10110 1 176 . 1 1 22 22 PRO HG2 H 1 2.037 0.030 . 1 . . . . 22 PRO HG2 . 10110 1 177 . 1 1 22 22 PRO HG3 H 1 2.037 0.030 . 1 . . . . 22 PRO HG3 . 10110 1 178 . 1 1 22 22 PRO HD2 H 1 3.578 0.030 . 2 . . . . 22 PRO HD2 . 10110 1 179 . 1 1 22 22 PRO HD3 H 1 3.766 0.030 . 2 . . . . 22 PRO HD3 . 10110 1 180 . 1 1 22 22 PRO CA C 13 62.380 0.300 . 1 . . . . 22 PRO CA . 10110 1 181 . 1 1 22 22 PRO CB C 13 32.304 0.300 . 1 . . . . 22 PRO CB . 10110 1 182 . 1 1 22 22 PRO CG C 13 27.613 0.300 . 1 . . . . 22 PRO CG . 10110 1 183 . 1 1 22 22 PRO CD C 13 50.266 0.300 . 1 . . . . 22 PRO CD . 10110 1 184 . 1 1 23 23 CYS H H 1 8.824 0.030 . 1 . . . . 23 CYS H . 10110 1 185 . 1 1 23 23 CYS HA H 1 4.396 0.030 . 1 . . . . 23 CYS HA . 10110 1 186 . 1 1 23 23 CYS HB2 H 1 3.611 0.030 . 2 . . . . 23 CYS HB2 . 10110 1 187 . 1 1 23 23 CYS HB3 H 1 2.889 0.030 . 2 . . . . 23 CYS HB3 . 10110 1 188 . 1 1 23 23 CYS C C 13 177.306 0.300 . 1 . . . . 23 CYS C . 10110 1 189 . 1 1 23 23 CYS CA C 13 59.649 0.300 . 1 . . . . 23 CYS CA . 10110 1 190 . 1 1 23 23 CYS CB C 13 29.156 0.300 . 1 . . . . 23 CYS CB . 10110 1 191 . 1 1 23 23 CYS N N 15 123.947 0.300 . 1 . . . . 23 CYS N . 10110 1 192 . 1 1 24 24 LYS H H 1 10.039 0.030 . 1 . . . . 24 LYS H . 10110 1 193 . 1 1 24 24 LYS HA H 1 4.679 0.030 . 1 . . . . 24 LYS HA . 10110 1 194 . 1 1 24 24 LYS HB2 H 1 2.052 0.030 . 2 . . . . 24 LYS HB2 . 10110 1 195 . 1 1 24 24 LYS HB3 H 1 1.606 0.030 . 2 . . . . 24 LYS HB3 . 10110 1 196 . 1 1 24 24 LYS HG2 H 1 1.485 0.030 . 1 . . . . 24 LYS HG2 . 10110 1 197 . 1 1 24 24 LYS HG3 H 1 1.485 0.030 . 1 . . . . 24 LYS HG3 . 10110 1 198 . 1 1 24 24 LYS HD2 H 1 1.741 0.030 . 1 . . . . 24 LYS HD2 . 10110 1 199 . 1 1 24 24 LYS HD3 H 1 1.741 0.030 . 1 . . . . 24 LYS HD3 . 10110 1 200 . 1 1 24 24 LYS HE2 H 1 3.001 0.030 . 1 . . . . 24 LYS HE2 . 10110 1 201 . 1 1 24 24 LYS HE3 H 1 3.001 0.030 . 1 . . . . 24 LYS HE3 . 10110 1 202 . 1 1 24 24 LYS C C 13 176.650 0.300 . 1 . . . . 24 LYS C . 10110 1 203 . 1 1 24 24 LYS CA C 13 55.101 0.300 . 1 . . . . 24 LYS CA . 10110 1 204 . 1 1 24 24 LYS CB C 13 33.322 0.300 . 1 . . . . 24 LYS CB . 10110 1 205 . 1 1 24 24 LYS CG C 13 24.360 0.300 . 1 . . . . 24 LYS CG . 10110 1 206 . 1 1 24 24 LYS CD C 13 29.171 0.300 . 1 . . . . 24 LYS CD . 10110 1 207 . 1 1 24 24 LYS CE C 13 42.163 0.300 . 1 . . . . 24 LYS CE . 10110 1 208 . 1 1 24 24 LYS N N 15 135.364 0.300 . 1 . . . . 24 LYS N . 10110 1 209 . 1 1 25 25 CYS H H 1 9.858 0.030 . 1 . . . . 25 CYS H . 10110 1 210 . 1 1 25 25 CYS HA H 1 4.265 0.030 . 1 . . . . 25 CYS HA . 10110 1 211 . 1 1 25 25 CYS HB2 H 1 2.865 0.030 . 2 . . . . 25 CYS HB2 . 10110 1 212 . 1 1 25 25 CYS HB3 H 1 2.983 0.030 . 2 . . . . 25 CYS HB3 . 10110 1 213 . 1 1 25 25 CYS C C 13 174.475 0.300 . 1 . . . . 25 CYS C . 10110 1 214 . 1 1 25 25 CYS CA C 13 61.799 0.300 . 1 . . . . 25 CYS CA . 10110 1 215 . 1 1 25 25 CYS CB C 13 29.467 0.300 . 1 . . . . 25 CYS CB . 10110 1 216 . 1 1 25 25 CYS N N 15 129.135 0.300 . 1 . . . . 25 CYS N . 10110 1 217 . 1 1 26 26 PRO HA H 1 4.206 0.030 . 1 . . . . 26 PRO HA . 10110 1 218 . 1 1 26 26 PRO HB2 H 1 2.011 0.030 . 2 . . . . 26 PRO HB2 . 10110 1 219 . 1 1 26 26 PRO HB3 H 1 2.383 0.030 . 2 . . . . 26 PRO HB3 . 10110 1 220 . 1 1 26 26 PRO HG2 H 1 2.076 0.030 . 2 . . . . 26 PRO HG2 . 10110 1 221 . 1 1 26 26 PRO HG3 H 1 2.199 0.030 . 2 . . . . 26 PRO HG3 . 10110 1 222 . 1 1 26 26 PRO HD2 H 1 3.836 0.030 . 1 . . . . 26 PRO HD2 . 10110 1 223 . 1 1 26 26 PRO HD3 H 1 3.836 0.030 . 1 . . . . 26 PRO HD3 . 10110 1 224 . 1 1 26 26 PRO CA C 13 65.617 0.300 . 1 . . . . 26 PRO CA . 10110 1 225 . 1 1 26 26 PRO CB C 13 31.736 0.300 . 1 . . . . 26 PRO CB . 10110 1 226 . 1 1 26 26 PRO CG C 13 27.798 0.300 . 1 . . . . 26 PRO CG . 10110 1 227 . 1 1 26 26 PRO CD C 13 50.170 0.300 . 1 . . . . 26 PRO CD . 10110 1 228 . 1 1 27 27 THR H H 1 7.243 0.030 . 1 . . . . 27 THR H . 10110 1 229 . 1 1 27 27 THR HA H 1 4.318 0.030 . 1 . . . . 27 THR HA . 10110 1 230 . 1 1 27 27 THR HB H 1 3.981 0.030 . 1 . . . . 27 THR HB . 10110 1 231 . 1 1 27 27 THR HG21 H 1 1.186 0.030 . 1 . . . . 27 THR HG2 . 10110 1 232 . 1 1 27 27 THR HG22 H 1 1.186 0.030 . 1 . . . . 27 THR HG2 . 10110 1 233 . 1 1 27 27 THR HG23 H 1 1.186 0.030 . 1 . . . . 27 THR HG2 . 10110 1 234 . 1 1 27 27 THR C C 13 173.018 0.300 . 1 . . . . 27 THR C . 10110 1 235 . 1 1 27 27 THR CA C 13 61.073 0.300 . 1 . . . . 27 THR CA . 10110 1 236 . 1 1 27 27 THR CB C 13 69.565 0.300 . 1 . . . . 27 THR CB . 10110 1 237 . 1 1 27 27 THR CG2 C 13 21.599 0.300 . 1 . . . . 27 THR CG2 . 10110 1 238 . 1 1 27 27 THR N N 15 111.458 0.300 . 1 . . . . 27 THR N . 10110 1 239 . 1 1 28 28 LYS H H 1 8.363 0.030 . 1 . . . . 28 LYS H . 10110 1 240 . 1 1 28 28 LYS HA H 1 4.293 0.030 . 1 . . . . 28 LYS HA . 10110 1 241 . 1 1 28 28 LYS HB2 H 1 1.664 0.030 . 2 . . . . 28 LYS HB2 . 10110 1 242 . 1 1 28 28 LYS HB3 H 1 1.826 0.030 . 2 . . . . 28 LYS HB3 . 10110 1 243 . 1 1 28 28 LYS HG2 H 1 1.532 0.030 . 1 . . . . 28 LYS HG2 . 10110 1 244 . 1 1 28 28 LYS HG3 H 1 1.532 0.030 . 1 . . . . 28 LYS HG3 . 10110 1 245 . 1 1 28 28 LYS HD2 H 1 1.801 0.030 . 1 . . . . 28 LYS HD2 . 10110 1 246 . 1 1 28 28 LYS HD3 H 1 1.801 0.030 . 1 . . . . 28 LYS HD3 . 10110 1 247 . 1 1 28 28 LYS HE2 H 1 3.147 0.030 . 1 . . . . 28 LYS HE2 . 10110 1 248 . 1 1 28 28 LYS HE3 H 1 3.147 0.030 . 1 . . . . 28 LYS HE3 . 10110 1 249 . 1 1 28 28 LYS C C 13 176.616 0.300 . 1 . . . . 28 LYS C . 10110 1 250 . 1 1 28 28 LYS CA C 13 57.645 0.300 . 1 . . . . 28 LYS CA . 10110 1 251 . 1 1 28 28 LYS CB C 13 32.864 0.300 . 1 . . . . 28 LYS CB . 10110 1 252 . 1 1 28 28 LYS CG C 13 24.921 0.300 . 1 . . . . 28 LYS CG . 10110 1 253 . 1 1 28 28 LYS CD C 13 29.699 0.300 . 1 . . . . 28 LYS CD . 10110 1 254 . 1 1 28 28 LYS CE C 13 42.339 0.300 . 1 . . . . 28 LYS CE . 10110 1 255 . 1 1 28 28 LYS N N 15 127.083 0.300 . 1 . . . . 28 LYS N . 10110 1 256 . 1 1 29 29 PHE H H 1 9.847 0.030 . 1 . . . . 29 PHE H . 10110 1 257 . 1 1 29 29 PHE HA H 1 4.375 0.030 . 1 . . . . 29 PHE HA . 10110 1 258 . 1 1 29 29 PHE HB2 H 1 3.575 0.030 . 2 . . . . 29 PHE HB2 . 10110 1 259 . 1 1 29 29 PHE HB3 H 1 3.163 0.030 . 2 . . . . 29 PHE HB3 . 10110 1 260 . 1 1 29 29 PHE HD1 H 1 7.319 0.030 . 1 . . . . 29 PHE HD1 . 10110 1 261 . 1 1 29 29 PHE HD2 H 1 7.319 0.030 . 1 . . . . 29 PHE HD2 . 10110 1 262 . 1 1 29 29 PHE HE1 H 1 7.159 0.030 . 1 . . . . 29 PHE HE1 . 10110 1 263 . 1 1 29 29 PHE HE2 H 1 7.159 0.030 . 1 . . . . 29 PHE HE2 . 10110 1 264 . 1 1 29 29 PHE HZ H 1 7.411 0.030 . 1 . . . . 29 PHE HZ . 10110 1 265 . 1 1 29 29 PHE C C 13 175.456 0.300 . 1 . . . . 29 PHE C . 10110 1 266 . 1 1 29 29 PHE CA C 13 59.668 0.300 . 1 . . . . 29 PHE CA . 10110 1 267 . 1 1 29 29 PHE CB C 13 39.973 0.300 . 1 . . . . 29 PHE CB . 10110 1 268 . 1 1 29 29 PHE CD1 C 13 131.743 0.300 . 1 . . . . 29 PHE CD1 . 10110 1 269 . 1 1 29 29 PHE CD2 C 13 131.743 0.300 . 1 . . . . 29 PHE CD2 . 10110 1 270 . 1 1 29 29 PHE CE1 C 13 128.551 0.300 . 1 . . . . 29 PHE CE1 . 10110 1 271 . 1 1 29 29 PHE CE2 C 13 128.551 0.300 . 1 . . . . 29 PHE CE2 . 10110 1 272 . 1 1 29 29 PHE CZ C 13 130.429 0.300 . 1 . . . . 29 PHE CZ . 10110 1 273 . 1 1 29 29 PHE N N 15 133.807 0.300 . 1 . . . . 29 PHE N . 10110 1 274 . 1 1 30 30 CYS H H 1 8.184 0.030 . 1 . . . . 30 CYS H . 10110 1 275 . 1 1 30 30 CYS HA H 1 4.112 0.030 . 1 . . . . 30 CYS HA . 10110 1 276 . 1 1 30 30 CYS HB2 H 1 2.767 0.030 . 2 . . . . 30 CYS HB2 . 10110 1 277 . 1 1 30 30 CYS HB3 H 1 2.701 0.030 . 2 . . . . 30 CYS HB3 . 10110 1 278 . 1 1 30 30 CYS C C 13 173.691 0.300 . 1 . . . . 30 CYS C . 10110 1 279 . 1 1 30 30 CYS CA C 13 60.336 0.300 . 1 . . . . 30 CYS CA . 10110 1 280 . 1 1 30 30 CYS CB C 13 27.956 0.300 . 1 . . . . 30 CYS CB . 10110 1 281 . 1 1 30 30 CYS N N 15 129.117 0.300 . 1 . . . . 30 CYS N . 10110 1 282 . 1 1 31 31 VAL H H 1 8.241 0.030 . 1 . . . . 31 VAL H . 10110 1 283 . 1 1 31 31 VAL HA H 1 5.037 0.030 . 1 . . . . 31 VAL HA . 10110 1 284 . 1 1 31 31 VAL HB H 1 2.299 0.030 . 1 . . . . 31 VAL HB . 10110 1 285 . 1 1 31 31 VAL HG11 H 1 0.975 0.030 . 1 . . . . 31 VAL HG1 . 10110 1 286 . 1 1 31 31 VAL HG12 H 1 0.975 0.030 . 1 . . . . 31 VAL HG1 . 10110 1 287 . 1 1 31 31 VAL HG13 H 1 0.975 0.030 . 1 . . . . 31 VAL HG1 . 10110 1 288 . 1 1 31 31 VAL HG21 H 1 1.334 0.030 . 1 . . . . 31 VAL HG2 . 10110 1 289 . 1 1 31 31 VAL HG22 H 1 1.334 0.030 . 1 . . . . 31 VAL HG2 . 10110 1 290 . 1 1 31 31 VAL HG23 H 1 1.334 0.030 . 1 . . . . 31 VAL HG2 . 10110 1 291 . 1 1 31 31 VAL C C 13 175.712 0.300 . 1 . . . . 31 VAL C . 10110 1 292 . 1 1 31 31 VAL CA C 13 62.794 0.300 . 1 . . . . 31 VAL CA . 10110 1 293 . 1 1 31 31 VAL CB C 13 34.149 0.300 . 1 . . . . 31 VAL CB . 10110 1 294 . 1 1 31 31 VAL CG1 C 13 22.231 0.300 . 2 . . . . 31 VAL CG1 . 10110 1 295 . 1 1 31 31 VAL CG2 C 13 22.016 0.300 . 2 . . . . 31 VAL CG2 . 10110 1 296 . 1 1 31 31 VAL N N 15 127.203 0.300 . 1 . . . . 31 VAL N . 10110 1 297 . 1 1 32 32 GLU H H 1 9.240 0.030 . 1 . . . . 32 GLU H . 10110 1 298 . 1 1 32 32 GLU HA H 1 4.781 0.030 . 1 . . . . 32 GLU HA . 10110 1 299 . 1 1 32 32 GLU HB2 H 1 1.835 0.030 . 2 . . . . 32 GLU HB2 . 10110 1 300 . 1 1 32 32 GLU HB3 H 1 1.898 0.030 . 2 . . . . 32 GLU HB3 . 10110 1 301 . 1 1 32 32 GLU HG2 H 1 2.059 0.030 . 2 . . . . 32 GLU HG2 . 10110 1 302 . 1 1 32 32 GLU HG3 H 1 2.188 0.030 . 2 . . . . 32 GLU HG3 . 10110 1 303 . 1 1 32 32 GLU C C 13 174.095 0.300 . 1 . . . . 32 GLU C . 10110 1 304 . 1 1 32 32 GLU CA C 13 54.541 0.300 . 1 . . . . 32 GLU CA . 10110 1 305 . 1 1 32 32 GLU CB C 13 33.978 0.300 . 1 . . . . 32 GLU CB . 10110 1 306 . 1 1 32 32 GLU CG C 13 35.781 0.300 . 1 . . . . 32 GLU CG . 10110 1 307 . 1 1 32 32 GLU N N 15 126.519 0.300 . 1 . . . . 32 GLU N . 10110 1 308 . 1 1 33 33 ARG H H 1 8.941 0.030 . 1 . . . . 33 ARG H . 10110 1 309 . 1 1 33 33 ARG HA H 1 2.764 0.030 . 1 . . . . 33 ARG HA . 10110 1 310 . 1 1 33 33 ARG HB2 H 1 1.538 0.030 . 2 . . . . 33 ARG HB2 . 10110 1 311 . 1 1 33 33 ARG HB3 H 1 1.419 0.030 . 2 . . . . 33 ARG HB3 . 10110 1 312 . 1 1 33 33 ARG HG2 H 1 0.956 0.030 . 1 . . . . 33 ARG HG2 . 10110 1 313 . 1 1 33 33 ARG HG3 H 1 0.956 0.030 . 1 . . . . 33 ARG HG3 . 10110 1 314 . 1 1 33 33 ARG HD2 H 1 3.003 0.030 . 2 . . . . 33 ARG HD2 . 10110 1 315 . 1 1 33 33 ARG HD3 H 1 2.950 0.030 . 2 . . . . 33 ARG HD3 . 10110 1 316 . 1 1 33 33 ARG C C 13 175.855 0.300 . 1 . . . . 33 ARG C . 10110 1 317 . 1 1 33 33 ARG CA C 13 57.210 0.300 . 1 . . . . 33 ARG CA . 10110 1 318 . 1 1 33 33 ARG CB C 13 30.493 0.300 . 1 . . . . 33 ARG CB . 10110 1 319 . 1 1 33 33 ARG CG C 13 26.972 0.300 . 1 . . . . 33 ARG CG . 10110 1 320 . 1 1 33 33 ARG CD C 13 43.449 0.300 . 1 . . . . 33 ARG CD . 10110 1 321 . 1 1 33 33 ARG N N 15 128.420 0.300 . 1 . . . . 33 ARG N . 10110 1 322 . 1 1 34 34 LEU H H 1 8.753 0.030 . 1 . . . . 34 LEU H . 10110 1 323 . 1 1 34 34 LEU HA H 1 4.470 0.030 . 1 . . . . 34 LEU HA . 10110 1 324 . 1 1 34 34 LEU HB2 H 1 1.346 0.030 . 2 . . . . 34 LEU HB2 . 10110 1 325 . 1 1 34 34 LEU HB3 H 1 1.434 0.030 . 2 . . . . 34 LEU HB3 . 10110 1 326 . 1 1 34 34 LEU HG H 1 1.564 0.030 . 1 . . . . 34 LEU HG . 10110 1 327 . 1 1 34 34 LEU HD11 H 1 0.722 0.030 . 1 . . . . 34 LEU HD1 . 10110 1 328 . 1 1 34 34 LEU HD12 H 1 0.722 0.030 . 1 . . . . 34 LEU HD1 . 10110 1 329 . 1 1 34 34 LEU HD13 H 1 0.722 0.030 . 1 . . . . 34 LEU HD1 . 10110 1 330 . 1 1 34 34 LEU HD21 H 1 0.709 0.030 . 1 . . . . 34 LEU HD2 . 10110 1 331 . 1 1 34 34 LEU HD22 H 1 0.709 0.030 . 1 . . . . 34 LEU HD2 . 10110 1 332 . 1 1 34 34 LEU HD23 H 1 0.709 0.030 . 1 . . . . 34 LEU HD2 . 10110 1 333 . 1 1 34 34 LEU C C 13 176.782 0.300 . 1 . . . . 34 LEU C . 10110 1 334 . 1 1 34 34 LEU CA C 13 55.700 0.300 . 1 . . . . 34 LEU CA . 10110 1 335 . 1 1 34 34 LEU CB C 13 42.677 0.300 . 1 . . . . 34 LEU CB . 10110 1 336 . 1 1 34 34 LEU CG C 13 26.775 0.300 . 1 . . . . 34 LEU CG . 10110 1 337 . 1 1 34 34 LEU CD1 C 13 26.716 0.300 . 2 . . . . 34 LEU CD1 . 10110 1 338 . 1 1 34 34 LEU CD2 C 13 22.328 0.300 . 2 . . . . 34 LEU CD2 . 10110 1 339 . 1 1 34 34 LEU N N 15 129.197 0.300 . 1 . . . . 34 LEU N . 10110 1 340 . 1 1 35 35 SER H H 1 8.085 0.030 . 1 . . . . 35 SER H . 10110 1 341 . 1 1 35 35 SER HA H 1 4.314 0.030 . 1 . . . . 35 SER HA . 10110 1 342 . 1 1 35 35 SER HB2 H 1 4.042 0.030 . 2 . . . . 35 SER HB2 . 10110 1 343 . 1 1 35 35 SER HB3 H 1 3.991 0.030 . 2 . . . . 35 SER HB3 . 10110 1 344 . 1 1 35 35 SER C C 13 173.306 0.300 . 1 . . . . 35 SER C . 10110 1 345 . 1 1 35 35 SER CA C 13 57.596 0.300 . 1 . . . . 35 SER CA . 10110 1 346 . 1 1 35 35 SER CB C 13 63.049 0.300 . 1 . . . . 35 SER CB . 10110 1 347 . 1 1 35 35 SER N N 15 112.027 0.300 . 1 . . . . 35 SER N . 10110 1 348 . 1 1 36 36 GLN H H 1 8.110 0.030 . 1 . . . . 36 GLN H . 10110 1 349 . 1 1 36 36 GLN HA H 1 4.194 0.030 . 1 . . . . 36 GLN HA . 10110 1 350 . 1 1 36 36 GLN HB2 H 1 2.112 0.030 . 1 . . . . 36 GLN HB2 . 10110 1 351 . 1 1 36 36 GLN HB3 H 1 2.112 0.030 . 1 . . . . 36 GLN HB3 . 10110 1 352 . 1 1 36 36 GLN HG2 H 1 2.446 0.030 . 1 . . . . 36 GLN HG2 . 10110 1 353 . 1 1 36 36 GLN HG3 H 1 2.446 0.030 . 1 . . . . 36 GLN HG3 . 10110 1 354 . 1 1 36 36 GLN HE21 H 1 7.628 0.030 . 2 . . . . 36 GLN HE21 . 10110 1 355 . 1 1 36 36 GLN HE22 H 1 6.967 0.030 . 2 . . . . 36 GLN HE22 . 10110 1 356 . 1 1 36 36 GLN CA C 13 58.289 0.300 . 1 . . . . 36 GLN CA . 10110 1 357 . 1 1 36 36 GLN CB C 13 27.442 0.300 . 1 . . . . 36 GLN CB . 10110 1 358 . 1 1 36 36 GLN CG C 13 33.271 0.300 . 1 . . . . 36 GLN CG . 10110 1 359 . 1 1 36 36 GLN NE2 N 15 112.288 0.300 . 1 . . . . 36 GLN NE2 . 10110 1 360 . 1 1 37 37 GLY H H 1 9.237 0.030 . 1 . . . . 37 GLY H . 10110 1 361 . 1 1 37 37 GLY HA2 H 1 4.324 0.030 . 2 . . . . 37 GLY HA2 . 10110 1 362 . 1 1 37 37 GLY HA3 H 1 3.895 0.030 . 2 . . . . 37 GLY HA3 . 10110 1 363 . 1 1 37 37 GLY C C 13 172.287 0.300 . 1 . . . . 37 GLY C . 10110 1 364 . 1 1 37 37 GLY CA C 13 46.455 0.300 . 1 . . . . 37 GLY CA . 10110 1 365 . 1 1 37 37 GLY N N 15 114.687 0.300 . 1 . . . . 37 GLY N . 10110 1 366 . 1 1 38 38 ARG H H 1 7.932 0.030 . 1 . . . . 38 ARG H . 10110 1 367 . 1 1 38 38 ARG HA H 1 5.097 0.030 . 1 . . . . 38 ARG HA . 10110 1 368 . 1 1 38 38 ARG HB2 H 1 1.428 0.030 . 2 . . . . 38 ARG HB2 . 10110 1 369 . 1 1 38 38 ARG HB3 H 1 1.532 0.030 . 2 . . . . 38 ARG HB3 . 10110 1 370 . 1 1 38 38 ARG HG2 H 1 0.994 0.030 . 2 . . . . 38 ARG HG2 . 10110 1 371 . 1 1 38 38 ARG HG3 H 1 1.096 0.030 . 2 . . . . 38 ARG HG3 . 10110 1 372 . 1 1 38 38 ARG HD2 H 1 3.003 0.030 . 2 . . . . 38 ARG HD2 . 10110 1 373 . 1 1 38 38 ARG HD3 H 1 2.942 0.030 . 2 . . . . 38 ARG HD3 . 10110 1 374 . 1 1 38 38 ARG C C 13 173.852 0.300 . 1 . . . . 38 ARG C . 10110 1 375 . 1 1 38 38 ARG CA C 13 55.705 0.300 . 1 . . . . 38 ARG CA . 10110 1 376 . 1 1 38 38 ARG CB C 13 32.560 0.300 . 1 . . . . 38 ARG CB . 10110 1 377 . 1 1 38 38 ARG CG C 13 28.028 0.300 . 1 . . . . 38 ARG CG . 10110 1 378 . 1 1 38 38 ARG CD C 13 43.479 0.300 . 1 . . . . 38 ARG CD . 10110 1 379 . 1 1 38 38 ARG N N 15 120.887 0.300 . 1 . . . . 38 ARG N . 10110 1 380 . 1 1 39 39 TYR H H 1 9.062 0.030 . 1 . . . . 39 TYR H . 10110 1 381 . 1 1 39 39 TYR HA H 1 4.986 0.030 . 1 . . . . 39 TYR HA . 10110 1 382 . 1 1 39 39 TYR HB2 H 1 2.459 0.030 . 2 . . . . 39 TYR HB2 . 10110 1 383 . 1 1 39 39 TYR HB3 H 1 2.384 0.030 . 2 . . . . 39 TYR HB3 . 10110 1 384 . 1 1 39 39 TYR HD1 H 1 6.649 0.030 . 1 . . . . 39 TYR HD1 . 10110 1 385 . 1 1 39 39 TYR HD2 H 1 6.649 0.030 . 1 . . . . 39 TYR HD2 . 10110 1 386 . 1 1 39 39 TYR HE1 H 1 6.569 0.030 . 1 . . . . 39 TYR HE1 . 10110 1 387 . 1 1 39 39 TYR HE2 H 1 6.569 0.030 . 1 . . . . 39 TYR HE2 . 10110 1 388 . 1 1 39 39 TYR C C 13 174.404 0.300 . 1 . . . . 39 TYR C . 10110 1 389 . 1 1 39 39 TYR CA C 13 56.332 0.300 . 1 . . . . 39 TYR CA . 10110 1 390 . 1 1 39 39 TYR CB C 13 42.869 0.300 . 1 . . . . 39 TYR CB . 10110 1 391 . 1 1 39 39 TYR CD1 C 13 132.541 0.300 . 1 . . . . 39 TYR CD1 . 10110 1 392 . 1 1 39 39 TYR CD2 C 13 132.541 0.300 . 1 . . . . 39 TYR CD2 . 10110 1 393 . 1 1 39 39 TYR CE1 C 13 117.293 0.300 . 1 . . . . 39 TYR CE1 . 10110 1 394 . 1 1 39 39 TYR CE2 C 13 117.293 0.300 . 1 . . . . 39 TYR CE2 . 10110 1 395 . 1 1 39 39 TYR N N 15 125.124 0.300 . 1 . . . . 39 TYR N . 10110 1 396 . 1 1 40 40 ARG H H 1 9.362 0.030 . 1 . . . . 40 ARG H . 10110 1 397 . 1 1 40 40 ARG HA H 1 4.858 0.030 . 1 . . . . 40 ARG HA . 10110 1 398 . 1 1 40 40 ARG HB2 H 1 1.491 0.030 . 2 . . . . 40 ARG HB2 . 10110 1 399 . 1 1 40 40 ARG HB3 H 1 1.798 0.030 . 2 . . . . 40 ARG HB3 . 10110 1 400 . 1 1 40 40 ARG HG2 H 1 1.319 0.030 . 2 . . . . 40 ARG HG2 . 10110 1 401 . 1 1 40 40 ARG HG3 H 1 1.447 0.030 . 2 . . . . 40 ARG HG3 . 10110 1 402 . 1 1 40 40 ARG HD2 H 1 3.130 0.030 . 1 . . . . 40 ARG HD2 . 10110 1 403 . 1 1 40 40 ARG HD3 H 1 3.130 0.030 . 1 . . . . 40 ARG HD3 . 10110 1 404 . 1 1 40 40 ARG C C 13 174.808 0.300 . 1 . . . . 40 ARG C . 10110 1 405 . 1 1 40 40 ARG CA C 13 55.401 0.300 . 1 . . . . 40 ARG CA . 10110 1 406 . 1 1 40 40 ARG CB C 13 30.659 0.300 . 1 . . . . 40 ARG CB . 10110 1 407 . 1 1 40 40 ARG CG C 13 27.329 0.300 . 1 . . . . 40 ARG CG . 10110 1 408 . 1 1 40 40 ARG CD C 13 43.412 0.300 . 1 . . . . 40 ARG CD . 10110 1 409 . 1 1 40 40 ARG N N 15 123.324 0.300 . 1 . . . . 40 ARG N . 10110 1 410 . 1 1 41 41 VAL H H 1 9.034 0.030 . 1 . . . . 41 VAL H . 10110 1 411 . 1 1 41 41 VAL HA H 1 4.884 0.030 . 1 . . . . 41 VAL HA . 10110 1 412 . 1 1 41 41 VAL HB H 1 2.072 0.030 . 1 . . . . 41 VAL HB . 10110 1 413 . 1 1 41 41 VAL HG11 H 1 1.314 0.030 . 1 . . . . 41 VAL HG1 . 10110 1 414 . 1 1 41 41 VAL HG12 H 1 1.314 0.030 . 1 . . . . 41 VAL HG1 . 10110 1 415 . 1 1 41 41 VAL HG13 H 1 1.314 0.030 . 1 . . . . 41 VAL HG1 . 10110 1 416 . 1 1 41 41 VAL HG21 H 1 0.950 0.030 . 1 . . . . 41 VAL HG2 . 10110 1 417 . 1 1 41 41 VAL HG22 H 1 0.950 0.030 . 1 . . . . 41 VAL HG2 . 10110 1 418 . 1 1 41 41 VAL HG23 H 1 0.950 0.030 . 1 . . . . 41 VAL HG2 . 10110 1 419 . 1 1 41 41 VAL C C 13 176.830 0.300 . 1 . . . . 41 VAL C . 10110 1 420 . 1 1 41 41 VAL CA C 13 60.827 0.300 . 1 . . . . 41 VAL CA . 10110 1 421 . 1 1 41 41 VAL CB C 13 32.979 0.300 . 1 . . . . 41 VAL CB . 10110 1 422 . 1 1 41 41 VAL CG1 C 13 23.125 0.300 . 2 . . . . 41 VAL CG1 . 10110 1 423 . 1 1 41 41 VAL CG2 C 13 21.520 0.300 . 2 . . . . 41 VAL CG2 . 10110 1 424 . 1 1 41 41 VAL N N 15 128.769 0.300 . 1 . . . . 41 VAL N . 10110 1 425 . 1 1 42 42 GLY H H 1 9.518 0.030 . 1 . . . . 42 GLY H . 10110 1 426 . 1 1 42 42 GLY HA2 H 1 3.597 0.030 . 2 . . . . 42 GLY HA2 . 10110 1 427 . 1 1 42 42 GLY HA3 H 1 2.955 0.030 . 2 . . . . 42 GLY HA3 . 10110 1 428 . 1 1 42 42 GLY C C 13 173.928 0.300 . 1 . . . . 42 GLY C . 10110 1 429 . 1 1 42 42 GLY CA C 13 47.291 0.300 . 1 . . . . 42 GLY CA . 10110 1 430 . 1 1 42 42 GLY N N 15 120.930 0.300 . 1 . . . . 42 GLY N . 10110 1 431 . 1 1 43 43 GLU H H 1 8.884 0.030 . 1 . . . . 43 GLU H . 10110 1 432 . 1 1 43 43 GLU HA H 1 4.396 0.030 . 1 . . . . 43 GLU HA . 10110 1 433 . 1 1 43 43 GLU HB2 H 1 2.265 0.030 . 2 . . . . 43 GLU HB2 . 10110 1 434 . 1 1 43 43 GLU HB3 H 1 1.933 0.030 . 2 . . . . 43 GLU HB3 . 10110 1 435 . 1 1 43 43 GLU HG2 H 1 2.260 0.030 . 2 . . . . 43 GLU HG2 . 10110 1 436 . 1 1 43 43 GLU HG3 H 1 2.343 0.030 . 2 . . . . 43 GLU HG3 . 10110 1 437 . 1 1 43 43 GLU C C 13 176.426 0.300 . 1 . . . . 43 GLU C . 10110 1 438 . 1 1 43 43 GLU CA C 13 55.805 0.300 . 1 . . . . 43 GLU CA . 10110 1 439 . 1 1 43 43 GLU CB C 13 30.252 0.300 . 1 . . . . 43 GLU CB . 10110 1 440 . 1 1 43 43 GLU CG C 13 36.309 0.300 . 1 . . . . 43 GLU CG . 10110 1 441 . 1 1 43 43 GLU N N 15 125.368 0.300 . 1 . . . . 43 GLU N . 10110 1 442 . 1 1 44 44 LYS H H 1 7.747 0.030 . 1 . . . . 44 LYS H . 10110 1 443 . 1 1 44 44 LYS HA H 1 4.590 0.030 . 1 . . . . 44 LYS HA . 10110 1 444 . 1 1 44 44 LYS HB2 H 1 1.751 0.030 . 2 . . . . 44 LYS HB2 . 10110 1 445 . 1 1 44 44 LYS HB3 H 1 1.856 0.030 . 2 . . . . 44 LYS HB3 . 10110 1 446 . 1 1 44 44 LYS HG2 H 1 1.445 0.030 . 2 . . . . 44 LYS HG2 . 10110 1 447 . 1 1 44 44 LYS HG3 H 1 1.530 0.030 . 2 . . . . 44 LYS HG3 . 10110 1 448 . 1 1 44 44 LYS HD2 H 1 1.716 0.030 . 1 . . . . 44 LYS HD2 . 10110 1 449 . 1 1 44 44 LYS HD3 H 1 1.716 0.030 . 1 . . . . 44 LYS HD3 . 10110 1 450 . 1 1 44 44 LYS HE2 H 1 3.067 0.030 . 1 . . . . 44 LYS HE2 . 10110 1 451 . 1 1 44 44 LYS HE3 H 1 3.067 0.030 . 1 . . . . 44 LYS HE3 . 10110 1 452 . 1 1 44 44 LYS C C 13 174.482 0.300 . 1 . . . . 44 LYS C . 10110 1 453 . 1 1 44 44 LYS CA C 13 54.538 0.300 . 1 . . . . 44 LYS CA . 10110 1 454 . 1 1 44 44 LYS CB C 13 35.272 0.300 . 1 . . . . 44 LYS CB . 10110 1 455 . 1 1 44 44 LYS CG C 13 25.062 0.300 . 1 . . . . 44 LYS CG . 10110 1 456 . 1 1 44 44 LYS CD C 13 28.879 0.300 . 1 . . . . 44 LYS CD . 10110 1 457 . 1 1 44 44 LYS CE C 13 42.199 0.300 . 1 . . . . 44 LYS CE . 10110 1 458 . 1 1 44 44 LYS N N 15 120.142 0.300 . 1 . . . . 44 LYS N . 10110 1 459 . 1 1 45 45 ILE H H 1 8.258 0.030 . 1 . . . . 45 ILE H . 10110 1 460 . 1 1 45 45 ILE HA H 1 4.688 0.030 . 1 . . . . 45 ILE HA . 10110 1 461 . 1 1 45 45 ILE HB H 1 1.634 0.030 . 1 . . . . 45 ILE HB . 10110 1 462 . 1 1 45 45 ILE HG12 H 1 1.523 0.030 . 2 . . . . 45 ILE HG12 . 10110 1 463 . 1 1 45 45 ILE HG13 H 1 0.792 0.030 . 2 . . . . 45 ILE HG13 . 10110 1 464 . 1 1 45 45 ILE HG21 H 1 0.548 0.030 . 1 . . . . 45 ILE HG2 . 10110 1 465 . 1 1 45 45 ILE HG22 H 1 0.548 0.030 . 1 . . . . 45 ILE HG2 . 10110 1 466 . 1 1 45 45 ILE HG23 H 1 0.548 0.030 . 1 . . . . 45 ILE HG2 . 10110 1 467 . 1 1 45 45 ILE HD11 H 1 0.735 0.030 . 1 . . . . 45 ILE HD1 . 10110 1 468 . 1 1 45 45 ILE HD12 H 1 0.735 0.030 . 1 . . . . 45 ILE HD1 . 10110 1 469 . 1 1 45 45 ILE HD13 H 1 0.735 0.030 . 1 . . . . 45 ILE HD1 . 10110 1 470 . 1 1 45 45 ILE C C 13 175.761 0.300 . 1 . . . . 45 ILE C . 10110 1 471 . 1 1 45 45 ILE CA C 13 60.933 0.300 . 1 . . . . 45 ILE CA . 10110 1 472 . 1 1 45 45 ILE CB C 13 37.805 0.300 . 1 . . . . 45 ILE CB . 10110 1 473 . 1 1 45 45 ILE CG1 C 13 27.678 0.300 . 1 . . . . 45 ILE CG1 . 10110 1 474 . 1 1 45 45 ILE CG2 C 13 17.639 0.300 . 1 . . . . 45 ILE CG2 . 10110 1 475 . 1 1 45 45 ILE CD1 C 13 12.859 0.300 . 1 . . . . 45 ILE CD1 . 10110 1 476 . 1 1 45 45 ILE N N 15 121.197 0.300 . 1 . . . . 45 ILE N . 10110 1 477 . 1 1 46 46 LEU H H 1 9.301 0.030 . 1 . . . . 46 LEU H . 10110 1 478 . 1 1 46 46 LEU HA H 1 4.919 0.030 . 1 . . . . 46 LEU HA . 10110 1 479 . 1 1 46 46 LEU HB2 H 1 1.318 0.030 . 2 . . . . 46 LEU HB2 . 10110 1 480 . 1 1 46 46 LEU HB3 H 1 1.381 0.030 . 2 . . . . 46 LEU HB3 . 10110 1 481 . 1 1 46 46 LEU HG H 1 1.366 0.030 . 1 . . . . 46 LEU HG . 10110 1 482 . 1 1 46 46 LEU HD11 H 1 0.421 0.030 . 1 . . . . 46 LEU HD1 . 10110 1 483 . 1 1 46 46 LEU HD12 H 1 0.421 0.030 . 1 . . . . 46 LEU HD1 . 10110 1 484 . 1 1 46 46 LEU HD13 H 1 0.421 0.030 . 1 . . . . 46 LEU HD1 . 10110 1 485 . 1 1 46 46 LEU HD21 H 1 0.782 0.030 . 1 . . . . 46 LEU HD2 . 10110 1 486 . 1 1 46 46 LEU HD22 H 1 0.782 0.030 . 1 . . . . 46 LEU HD2 . 10110 1 487 . 1 1 46 46 LEU HD23 H 1 0.782 0.030 . 1 . . . . 46 LEU HD2 . 10110 1 488 . 1 1 46 46 LEU C C 13 175.332 0.300 . 1 . . . . 46 LEU C . 10110 1 489 . 1 1 46 46 LEU CA C 13 53.030 0.300 . 1 . . . . 46 LEU CA . 10110 1 490 . 1 1 46 46 LEU CB C 13 46.016 0.300 . 1 . . . . 46 LEU CB . 10110 1 491 . 1 1 46 46 LEU CG C 13 26.791 0.300 . 1 . . . . 46 LEU CG . 10110 1 492 . 1 1 46 46 LEU CD1 C 13 25.382 0.300 . 2 . . . . 46 LEU CD1 . 10110 1 493 . 1 1 46 46 LEU CD2 C 13 22.989 0.300 . 2 . . . . 46 LEU CD2 . 10110 1 494 . 1 1 46 46 LEU N N 15 128.630 0.300 . 1 . . . . 46 LEU N . 10110 1 495 . 1 1 47 47 PHE H H 1 8.884 0.030 . 1 . . . . 47 PHE H . 10110 1 496 . 1 1 47 47 PHE HA H 1 5.363 0.030 . 1 . . . . 47 PHE HA . 10110 1 497 . 1 1 47 47 PHE HB2 H 1 2.868 0.030 . 2 . . . . 47 PHE HB2 . 10110 1 498 . 1 1 47 47 PHE HB3 H 1 3.198 0.030 . 2 . . . . 47 PHE HB3 . 10110 1 499 . 1 1 47 47 PHE HD1 H 1 7.384 0.030 . 1 . . . . 47 PHE HD1 . 10110 1 500 . 1 1 47 47 PHE HD2 H 1 7.384 0.030 . 1 . . . . 47 PHE HD2 . 10110 1 501 . 1 1 47 47 PHE HE1 H 1 7.336 0.030 . 1 . . . . 47 PHE HE1 . 10110 1 502 . 1 1 47 47 PHE HE2 H 1 7.336 0.030 . 1 . . . . 47 PHE HE2 . 10110 1 503 . 1 1 47 47 PHE HZ H 1 7.419 0.030 . 1 . . . . 47 PHE HZ . 10110 1 504 . 1 1 47 47 PHE C C 13 174.797 0.300 . 1 . . . . 47 PHE C . 10110 1 505 . 1 1 47 47 PHE CA C 13 57.262 0.300 . 1 . . . . 47 PHE CA . 10110 1 506 . 1 1 47 47 PHE CB C 13 40.149 0.300 . 1 . . . . 47 PHE CB . 10110 1 507 . 1 1 47 47 PHE CD1 C 13 131.827 0.300 . 1 . . . . 47 PHE CD1 . 10110 1 508 . 1 1 47 47 PHE CD2 C 13 131.827 0.300 . 1 . . . . 47 PHE CD2 . 10110 1 509 . 1 1 47 47 PHE CE1 C 13 129.584 0.300 . 1 . . . . 47 PHE CE1 . 10110 1 510 . 1 1 47 47 PHE CE2 C 13 129.584 0.300 . 1 . . . . 47 PHE CE2 . 10110 1 511 . 1 1 47 47 PHE CZ C 13 131.215 0.300 . 1 . . . . 47 PHE CZ . 10110 1 512 . 1 1 47 47 PHE N N 15 121.226 0.300 . 1 . . . . 47 PHE N . 10110 1 513 . 1 1 48 48 ILE H H 1 8.425 0.030 . 1 . . . . 48 ILE H . 10110 1 514 . 1 1 48 48 ILE HA H 1 5.285 0.030 . 1 . . . . 48 ILE HA . 10110 1 515 . 1 1 48 48 ILE HB H 1 1.293 0.030 . 1 . . . . 48 ILE HB . 10110 1 516 . 1 1 48 48 ILE HG12 H 1 1.403 0.030 . 2 . . . . 48 ILE HG12 . 10110 1 517 . 1 1 48 48 ILE HG13 H 1 0.758 0.030 . 2 . . . . 48 ILE HG13 . 10110 1 518 . 1 1 48 48 ILE HG21 H 1 0.439 0.030 . 1 . . . . 48 ILE HG2 . 10110 1 519 . 1 1 48 48 ILE HG22 H 1 0.439 0.030 . 1 . . . . 48 ILE HG2 . 10110 1 520 . 1 1 48 48 ILE HG23 H 1 0.439 0.030 . 1 . . . . 48 ILE HG2 . 10110 1 521 . 1 1 48 48 ILE HD11 H 1 -0.212 0.030 . 1 . . . . 48 ILE HD1 . 10110 1 522 . 1 1 48 48 ILE HD12 H 1 -0.212 0.030 . 1 . . . . 48 ILE HD1 . 10110 1 523 . 1 1 48 48 ILE HD13 H 1 -0.212 0.030 . 1 . . . . 48 ILE HD1 . 10110 1 524 . 1 1 48 48 ILE C C 13 174.586 0.300 . 1 . . . . 48 ILE C . 10110 1 525 . 1 1 48 48 ILE CA C 13 59.812 0.300 . 1 . . . . 48 ILE CA . 10110 1 526 . 1 1 48 48 ILE CB C 13 40.578 0.300 . 1 . . . . 48 ILE CB . 10110 1 527 . 1 1 48 48 ILE CG1 C 13 27.364 0.300 . 1 . . . . 48 ILE CG1 . 10110 1 528 . 1 1 48 48 ILE CG2 C 13 18.048 0.300 . 1 . . . . 48 ILE CG2 . 10110 1 529 . 1 1 48 48 ILE CD1 C 13 12.149 0.300 . 1 . . . . 48 ILE CD1 . 10110 1 530 . 1 1 48 48 ILE N N 15 122.587 0.300 . 1 . . . . 48 ILE N . 10110 1 531 . 1 1 49 49 ARG H H 1 9.077 0.030 . 1 . . . . 49 ARG H . 10110 1 532 . 1 1 49 49 ARG HA H 1 4.691 0.030 . 1 . . . . 49 ARG HA . 10110 1 533 . 1 1 49 49 ARG HB2 H 1 1.489 0.030 . 2 . . . . 49 ARG HB2 . 10110 1 534 . 1 1 49 49 ARG HB3 H 1 1.616 0.030 . 2 . . . . 49 ARG HB3 . 10110 1 535 . 1 1 49 49 ARG HG2 H 1 1.214 0.030 . 2 . . . . 49 ARG HG2 . 10110 1 536 . 1 1 49 49 ARG HG3 H 1 1.120 0.030 . 2 . . . . 49 ARG HG3 . 10110 1 537 . 1 1 49 49 ARG HD2 H 1 2.512 0.030 . 2 . . . . 49 ARG HD2 . 10110 1 538 . 1 1 49 49 ARG HD3 H 1 2.626 0.030 . 2 . . . . 49 ARG HD3 . 10110 1 539 . 1 1 49 49 ARG C C 13 173.191 0.300 . 1 . . . . 49 ARG C . 10110 1 540 . 1 1 49 49 ARG CA C 13 54.152 0.300 . 1 . . . . 49 ARG CA . 10110 1 541 . 1 1 49 49 ARG CB C 13 34.769 0.300 . 1 . . . . 49 ARG CB . 10110 1 542 . 1 1 49 49 ARG CG C 13 25.898 0.300 . 1 . . . . 49 ARG CG . 10110 1 543 . 1 1 49 49 ARG CD C 13 43.551 0.300 . 1 . . . . 49 ARG CD . 10110 1 544 . 1 1 49 49 ARG N N 15 123.085 0.300 . 1 . . . . 49 ARG N . 10110 1 545 . 1 1 50 50 MET H H 1 8.750 0.030 . 1 . . . . 50 MET H . 10110 1 546 . 1 1 50 50 MET HA H 1 5.162 0.030 . 1 . . . . 50 MET HA . 10110 1 547 . 1 1 50 50 MET HB2 H 1 1.749 0.030 . 2 . . . . 50 MET HB2 . 10110 1 548 . 1 1 50 50 MET HB3 H 1 1.974 0.030 . 2 . . . . 50 MET HB3 . 10110 1 549 . 1 1 50 50 MET HG2 H 1 2.096 0.030 . 2 . . . . 50 MET HG2 . 10110 1 550 . 1 1 50 50 MET HG3 H 1 2.352 0.030 . 2 . . . . 50 MET HG3 . 10110 1 551 . 1 1 50 50 MET HE1 H 1 1.789 0.030 . 1 . . . . 50 MET HE . 10110 1 552 . 1 1 50 50 MET HE2 H 1 1.789 0.030 . 1 . . . . 50 MET HE . 10110 1 553 . 1 1 50 50 MET HE3 H 1 1.789 0.030 . 1 . . . . 50 MET HE . 10110 1 554 . 1 1 50 50 MET C C 13 175.666 0.300 . 1 . . . . 50 MET C . 10110 1 555 . 1 1 50 50 MET CA C 13 53.803 0.300 . 1 . . . . 50 MET CA . 10110 1 556 . 1 1 50 50 MET CB C 13 34.757 0.300 . 1 . . . . 50 MET CB . 10110 1 557 . 1 1 50 50 MET CG C 13 32.184 0.300 . 1 . . . . 50 MET CG . 10110 1 558 . 1 1 50 50 MET CE C 13 16.981 0.300 . 1 . . . . 50 MET CE . 10110 1 559 . 1 1 50 50 MET N N 15 121.592 0.300 . 1 . . . . 50 MET N . 10110 1 560 . 1 1 51 51 LEU H H 1 9.049 0.030 . 1 . . . . 51 LEU H . 10110 1 561 . 1 1 51 51 LEU HA H 1 4.451 0.030 . 1 . . . . 51 LEU HA . 10110 1 562 . 1 1 51 51 LEU HB2 H 1 1.452 0.030 . 2 . . . . 51 LEU HB2 . 10110 1 563 . 1 1 51 51 LEU HB3 H 1 1.495 0.030 . 2 . . . . 51 LEU HB3 . 10110 1 564 . 1 1 51 51 LEU HG H 1 1.132 0.030 . 1 . . . . 51 LEU HG . 10110 1 565 . 1 1 51 51 LEU HD11 H 1 0.555 0.030 . 1 . . . . 51 LEU HD1 . 10110 1 566 . 1 1 51 51 LEU HD12 H 1 0.555 0.030 . 1 . . . . 51 LEU HD1 . 10110 1 567 . 1 1 51 51 LEU HD13 H 1 0.555 0.030 . 1 . . . . 51 LEU HD1 . 10110 1 568 . 1 1 51 51 LEU HD21 H 1 0.533 0.030 . 1 . . . . 51 LEU HD2 . 10110 1 569 . 1 1 51 51 LEU HD22 H 1 0.533 0.030 . 1 . . . . 51 LEU HD2 . 10110 1 570 . 1 1 51 51 LEU HD23 H 1 0.533 0.030 . 1 . . . . 51 LEU HD2 . 10110 1 571 . 1 1 51 51 LEU C C 13 177.464 0.300 . 1 . . . . 51 LEU C . 10110 1 572 . 1 1 51 51 LEU CA C 13 53.949 0.300 . 1 . . . . 51 LEU CA . 10110 1 573 . 1 1 51 51 LEU CB C 13 43.709 0.300 . 1 . . . . 51 LEU CB . 10110 1 574 . 1 1 51 51 LEU CG C 13 27.106 0.300 . 1 . . . . 51 LEU CG . 10110 1 575 . 1 1 51 51 LEU CD1 C 13 23.505 0.300 . 2 . . . . 51 LEU CD1 . 10110 1 576 . 1 1 51 51 LEU CD2 C 13 24.033 0.300 . 2 . . . . 51 LEU CD2 . 10110 1 577 . 1 1 51 51 LEU N N 15 127.698 0.300 . 1 . . . . 51 LEU N . 10110 1 578 . 1 1 52 52 HIS H H 1 7.544 0.030 . 1 . . . . 52 HIS H . 10110 1 579 . 1 1 52 52 HIS HA H 1 4.360 0.030 . 1 . . . . 52 HIS HA . 10110 1 580 . 1 1 52 52 HIS HB2 H 1 3.223 0.030 . 2 . . . . 52 HIS HB2 . 10110 1 581 . 1 1 52 52 HIS HB3 H 1 3.173 0.030 . 2 . . . . 52 HIS HB3 . 10110 1 582 . 1 1 52 52 HIS HD2 H 1 6.967 0.030 . 1 . . . . 52 HIS HD2 . 10110 1 583 . 1 1 52 52 HIS HE1 H 1 7.745 0.030 . 1 . . . . 52 HIS HE1 . 10110 1 584 . 1 1 52 52 HIS CB C 13 29.141 0.300 . 1 . . . . 52 HIS CB . 10110 1 585 . 1 1 52 52 HIS CD2 C 13 119.381 0.300 . 1 . . . . 52 HIS CD2 . 10110 1 586 . 1 1 52 52 HIS CE1 C 13 138.823 0.300 . 1 . . . . 52 HIS CE1 . 10110 1 587 . 1 1 53 53 ASN H H 1 8.415 0.030 . 1 . . . . 53 ASN H . 10110 1 588 . 1 1 53 53 ASN HA H 1 4.219 0.030 . 1 . . . . 53 ASN HA . 10110 1 589 . 1 1 53 53 ASN HB2 H 1 2.903 0.030 . 1 . . . . 53 ASN HB2 . 10110 1 590 . 1 1 53 53 ASN HB3 H 1 2.903 0.030 . 1 . . . . 53 ASN HB3 . 10110 1 591 . 1 1 53 53 ASN HD21 H 1 7.443 0.030 . 2 . . . . 53 ASN HD21 . 10110 1 592 . 1 1 53 53 ASN HD22 H 1 6.664 0.030 . 2 . . . . 53 ASN HD22 . 10110 1 593 . 1 1 53 53 ASN CA C 13 54.349 0.300 . 1 . . . . 53 ASN CA . 10110 1 594 . 1 1 53 53 ASN CB C 13 37.780 0.300 . 1 . . . . 53 ASN CB . 10110 1 595 . 1 1 53 53 ASN ND2 N 15 111.393 0.300 . 1 . . . . 53 ASN ND2 . 10110 1 596 . 1 1 54 54 LYS H H 1 7.850 0.030 . 1 . . . . 54 LYS H . 10110 1 597 . 1 1 54 54 LYS HA H 1 4.227 0.030 . 1 . . . . 54 LYS HA . 10110 1 598 . 1 1 54 54 LYS HB2 H 1 1.458 0.030 . 2 . . . . 54 LYS HB2 . 10110 1 599 . 1 1 54 54 LYS HB3 H 1 1.603 0.030 . 2 . . . . 54 LYS HB3 . 10110 1 600 . 1 1 54 54 LYS HG2 H 1 1.076 0.030 . 1 . . . . 54 LYS HG2 . 10110 1 601 . 1 1 54 54 LYS HG3 H 1 1.076 0.030 . 1 . . . . 54 LYS HG3 . 10110 1 602 . 1 1 54 54 LYS HD2 H 1 1.575 0.030 . 1 . . . . 54 LYS HD2 . 10110 1 603 . 1 1 54 54 LYS HD3 H 1 1.575 0.030 . 1 . . . . 54 LYS HD3 . 10110 1 604 . 1 1 54 54 LYS HE2 H 1 2.941 0.030 . 1 . . . . 54 LYS HE2 . 10110 1 605 . 1 1 54 54 LYS HE3 H 1 2.941 0.030 . 1 . . . . 54 LYS HE3 . 10110 1 606 . 1 1 54 54 LYS C C 13 174.927 0.300 . 1 . . . . 54 LYS C . 10110 1 607 . 1 1 54 54 LYS CA C 13 58.127 0.300 . 1 . . . . 54 LYS CA . 10110 1 608 . 1 1 54 54 LYS CB C 13 34.519 0.300 . 1 . . . . 54 LYS CB . 10110 1 609 . 1 1 54 54 LYS CG C 13 24.466 0.300 . 1 . . . . 54 LYS CG . 10110 1 610 . 1 1 54 54 LYS CD C 13 29.149 0.300 . 1 . . . . 54 LYS CD . 10110 1 611 . 1 1 54 54 LYS CE C 13 42.118 0.300 . 1 . . . . 54 LYS CE . 10110 1 612 . 1 1 54 54 LYS N N 15 114.317 0.300 . 1 . . . . 54 LYS N . 10110 1 613 . 1 1 55 55 HIS H H 1 7.937 0.030 . 1 . . . . 55 HIS H . 10110 1 614 . 1 1 55 55 HIS HA H 1 4.956 0.030 . 1 . . . . 55 HIS HA . 10110 1 615 . 1 1 55 55 HIS HB2 H 1 3.001 0.030 . 1 . . . . 55 HIS HB2 . 10110 1 616 . 1 1 55 55 HIS HB3 H 1 3.001 0.030 . 1 . . . . 55 HIS HB3 . 10110 1 617 . 1 1 55 55 HIS HD2 H 1 6.890 0.030 . 1 . . . . 55 HIS HD2 . 10110 1 618 . 1 1 55 55 HIS HE1 H 1 7.768 0.030 . 1 . . . . 55 HIS HE1 . 10110 1 619 . 1 1 55 55 HIS C C 13 175.165 0.300 . 1 . . . . 55 HIS C . 10110 1 620 . 1 1 55 55 HIS CA C 13 55.307 0.300 . 1 . . . . 55 HIS CA . 10110 1 621 . 1 1 55 55 HIS CB C 13 32.404 0.300 . 1 . . . . 55 HIS CB . 10110 1 622 . 1 1 55 55 HIS CD2 C 13 119.487 0.300 . 1 . . . . 55 HIS CD2 . 10110 1 623 . 1 1 55 55 HIS CE1 C 13 139.056 0.300 . 1 . . . . 55 HIS CE1 . 10110 1 624 . 1 1 55 55 HIS N N 15 119.073 0.300 . 1 . . . . 55 HIS N . 10110 1 625 . 1 1 56 56 VAL H H 1 8.944 0.030 . 1 . . . . 56 VAL H . 10110 1 626 . 1 1 56 56 VAL HA H 1 4.250 0.030 . 1 . . . . 56 VAL HA . 10110 1 627 . 1 1 56 56 VAL HB H 1 2.142 0.030 . 1 . . . . 56 VAL HB . 10110 1 628 . 1 1 56 56 VAL HG11 H 1 0.622 0.030 . 1 . . . . 56 VAL HG1 . 10110 1 629 . 1 1 56 56 VAL HG12 H 1 0.622 0.030 . 1 . . . . 56 VAL HG1 . 10110 1 630 . 1 1 56 56 VAL HG13 H 1 0.622 0.030 . 1 . . . . 56 VAL HG1 . 10110 1 631 . 1 1 56 56 VAL HG21 H 1 0.923 0.030 . 1 . . . . 56 VAL HG2 . 10110 1 632 . 1 1 56 56 VAL HG22 H 1 0.923 0.030 . 1 . . . . 56 VAL HG2 . 10110 1 633 . 1 1 56 56 VAL HG23 H 1 0.923 0.030 . 1 . . . . 56 VAL HG2 . 10110 1 634 . 1 1 56 56 VAL C C 13 175.619 0.300 . 1 . . . . 56 VAL C . 10110 1 635 . 1 1 56 56 VAL CA C 13 63.321 0.300 . 1 . . . . 56 VAL CA . 10110 1 636 . 1 1 56 56 VAL CB C 13 31.320 0.300 . 1 . . . . 56 VAL CB . 10110 1 637 . 1 1 56 56 VAL CG1 C 13 22.914 0.300 . 2 . . . . 56 VAL CG1 . 10110 1 638 . 1 1 56 56 VAL CG2 C 13 22.788 0.300 . 2 . . . . 56 VAL CG2 . 10110 1 639 . 1 1 56 56 VAL N N 15 125.390 0.300 . 1 . . . . 56 VAL N . 10110 1 640 . 1 1 57 57 MET H H 1 9.211 0.030 . 1 . . . . 57 MET H . 10110 1 641 . 1 1 57 57 MET HA H 1 5.613 0.030 . 1 . . . . 57 MET HA . 10110 1 642 . 1 1 57 57 MET HB2 H 1 2.207 0.030 . 2 . . . . 57 MET HB2 . 10110 1 643 . 1 1 57 57 MET HB3 H 1 1.851 0.030 . 2 . . . . 57 MET HB3 . 10110 1 644 . 1 1 57 57 MET HG2 H 1 2.445 0.030 . 1 . . . . 57 MET HG2 . 10110 1 645 . 1 1 57 57 MET HG3 H 1 2.445 0.030 . 1 . . . . 57 MET HG3 . 10110 1 646 . 1 1 57 57 MET HE1 H 1 1.930 0.030 . 1 . . . . 57 MET HE . 10110 1 647 . 1 1 57 57 MET HE2 H 1 1.930 0.030 . 1 . . . . 57 MET HE . 10110 1 648 . 1 1 57 57 MET HE3 H 1 1.930 0.030 . 1 . . . . 57 MET HE . 10110 1 649 . 1 1 57 57 MET C C 13 174.000 0.300 . 1 . . . . 57 MET C . 10110 1 650 . 1 1 57 57 MET CA C 13 52.960 0.300 . 1 . . . . 57 MET CA . 10110 1 651 . 1 1 57 57 MET CB C 13 35.228 0.300 . 1 . . . . 57 MET CB . 10110 1 652 . 1 1 57 57 MET CG C 13 32.242 0.300 . 1 . . . . 57 MET CG . 10110 1 653 . 1 1 57 57 MET CE C 13 16.711 0.300 . 1 . . . . 57 MET CE . 10110 1 654 . 1 1 57 57 MET N N 15 127.727 0.300 . 1 . . . . 57 MET N . 10110 1 655 . 1 1 58 58 VAL H H 1 9.989 0.030 . 1 . . . . 58 VAL H . 10110 1 656 . 1 1 58 58 VAL HA H 1 5.396 0.030 . 1 . . . . 58 VAL HA . 10110 1 657 . 1 1 58 58 VAL HB H 1 1.826 0.030 . 1 . . . . 58 VAL HB . 10110 1 658 . 1 1 58 58 VAL HG11 H 1 0.819 0.030 . 1 . . . . 58 VAL HG1 . 10110 1 659 . 1 1 58 58 VAL HG12 H 1 0.819 0.030 . 1 . . . . 58 VAL HG1 . 10110 1 660 . 1 1 58 58 VAL HG13 H 1 0.819 0.030 . 1 . . . . 58 VAL HG1 . 10110 1 661 . 1 1 58 58 VAL HG21 H 1 0.760 0.030 . 1 . . . . 58 VAL HG2 . 10110 1 662 . 1 1 58 58 VAL HG22 H 1 0.760 0.030 . 1 . . . . 58 VAL HG2 . 10110 1 663 . 1 1 58 58 VAL HG23 H 1 0.760 0.030 . 1 . . . . 58 VAL HG2 . 10110 1 664 . 1 1 58 58 VAL C C 13 173.751 0.300 . 1 . . . . 58 VAL C . 10110 1 665 . 1 1 58 58 VAL CA C 13 58.474 0.300 . 1 . . . . 58 VAL CA . 10110 1 666 . 1 1 58 58 VAL CB C 13 35.549 0.300 . 1 . . . . 58 VAL CB . 10110 1 667 . 1 1 58 58 VAL CG1 C 13 21.626 0.300 . 2 . . . . 58 VAL CG1 . 10110 1 668 . 1 1 58 58 VAL CG2 C 13 22.024 0.300 . 2 . . . . 58 VAL CG2 . 10110 1 669 . 1 1 58 58 VAL N N 15 118.051 0.300 . 1 . . . . 58 VAL N . 10110 1 670 . 1 1 59 59 ARG H H 1 8.255 0.030 . 1 . . . . 59 ARG H . 10110 1 671 . 1 1 59 59 ARG HA H 1 3.924 0.030 . 1 . . . . 59 ARG HA . 10110 1 672 . 1 1 59 59 ARG HB2 H 1 1.734 0.030 . 2 . . . . 59 ARG HB2 . 10110 1 673 . 1 1 59 59 ARG HB3 H 1 0.023 0.030 . 2 . . . . 59 ARG HB3 . 10110 1 674 . 1 1 59 59 ARG HG2 H 1 0.523 0.030 . 2 . . . . 59 ARG HG2 . 10110 1 675 . 1 1 59 59 ARG HG3 H 1 1.049 0.030 . 2 . . . . 59 ARG HG3 . 10110 1 676 . 1 1 59 59 ARG HD2 H 1 2.247 0.030 . 2 . . . . 59 ARG HD2 . 10110 1 677 . 1 1 59 59 ARG HD3 H 1 2.446 0.030 . 2 . . . . 59 ARG HD3 . 10110 1 678 . 1 1 59 59 ARG HE H 1 8.021 0.030 . 1 . . . . 59 ARG HE . 10110 1 679 . 1 1 59 59 ARG C C 13 175.213 0.300 . 1 . . . . 59 ARG C . 10110 1 680 . 1 1 59 59 ARG CA C 13 55.524 0.300 . 1 . . . . 59 ARG CA . 10110 1 681 . 1 1 59 59 ARG CB C 13 29.015 0.300 . 1 . . . . 59 ARG CB . 10110 1 682 . 1 1 59 59 ARG CG C 13 26.333 0.300 . 1 . . . . 59 ARG CG . 10110 1 683 . 1 1 59 59 ARG CD C 13 42.808 0.300 . 1 . . . . 59 ARG CD . 10110 1 684 . 1 1 59 59 ARG N N 15 128.985 0.300 . 1 . . . . 59 ARG N . 10110 1 685 . 1 1 60 60 VAL H H 1 8.267 0.030 . 1 . . . . 60 VAL H . 10110 1 686 . 1 1 60 60 VAL HA H 1 4.285 0.030 . 1 . . . . 60 VAL HA . 10110 1 687 . 1 1 60 60 VAL HB H 1 1.977 0.030 . 1 . . . . 60 VAL HB . 10110 1 688 . 1 1 60 60 VAL HG11 H 1 0.914 0.030 . 1 . . . . 60 VAL HG1 . 10110 1 689 . 1 1 60 60 VAL HG12 H 1 0.914 0.030 . 1 . . . . 60 VAL HG1 . 10110 1 690 . 1 1 60 60 VAL HG13 H 1 0.914 0.030 . 1 . . . . 60 VAL HG1 . 10110 1 691 . 1 1 60 60 VAL HG21 H 1 0.972 0.030 . 1 . . . . 60 VAL HG2 . 10110 1 692 . 1 1 60 60 VAL HG22 H 1 0.972 0.030 . 1 . . . . 60 VAL HG2 . 10110 1 693 . 1 1 60 60 VAL HG23 H 1 0.972 0.030 . 1 . . . . 60 VAL HG2 . 10110 1 694 . 1 1 60 60 VAL C C 13 176.205 0.300 . 1 . . . . 60 VAL C . 10110 1 695 . 1 1 60 60 VAL CA C 13 61.014 0.300 . 1 . . . . 60 VAL CA . 10110 1 696 . 1 1 60 60 VAL CB C 13 34.271 0.300 . 1 . . . . 60 VAL CB . 10110 1 697 . 1 1 60 60 VAL CG1 C 13 21.025 0.300 . 2 . . . . 60 VAL CG1 . 10110 1 698 . 1 1 60 60 VAL CG2 C 13 21.167 0.300 . 2 . . . . 60 VAL CG2 . 10110 1 699 . 1 1 60 60 VAL N N 15 127.676 0.300 . 1 . . . . 60 VAL N . 10110 1 700 . 1 1 62 62 GLY HA2 H 1 3.913 0.030 . 1 . . . . 62 GLY HA2 . 10110 1 701 . 1 1 62 62 GLY HA3 H 1 3.913 0.030 . 1 . . . . 62 GLY HA3 . 10110 1 702 . 1 1 62 62 GLY CA C 13 44.769 0.300 . 1 . . . . 62 GLY CA . 10110 1 703 . 1 1 63 63 GLY H H 1 7.548 0.030 . 1 . . . . 63 GLY H . 10110 1 704 . 1 1 63 63 GLY HA2 H 1 4.334 0.030 . 2 . . . . 63 GLY HA2 . 10110 1 705 . 1 1 63 63 GLY HA3 H 1 3.874 0.030 . 2 . . . . 63 GLY HA3 . 10110 1 706 . 1 1 63 63 GLY C C 13 171.191 0.300 . 1 . . . . 63 GLY C . 10110 1 707 . 1 1 63 63 GLY CA C 13 44.665 0.300 . 1 . . . . 63 GLY CA . 10110 1 708 . 1 1 63 63 GLY N N 15 108.634 0.300 . 1 . . . . 63 GLY N . 10110 1 709 . 1 1 64 64 TRP H H 1 8.495 0.030 . 1 . . . . 64 TRP H . 10110 1 710 . 1 1 64 64 TRP HA H 1 5.532 0.030 . 1 . . . . 64 TRP HA . 10110 1 711 . 1 1 64 64 TRP HB2 H 1 3.034 0.030 . 2 . . . . 64 TRP HB2 . 10110 1 712 . 1 1 64 64 TRP HB3 H 1 2.962 0.030 . 2 . . . . 64 TRP HB3 . 10110 1 713 . 1 1 64 64 TRP HD1 H 1 7.297 0.030 . 1 . . . . 64 TRP HD1 . 10110 1 714 . 1 1 64 64 TRP HE1 H 1 10.291 0.030 . 1 . . . . 64 TRP HE1 . 10110 1 715 . 1 1 64 64 TRP HE3 H 1 7.228 0.030 . 1 . . . . 64 TRP HE3 . 10110 1 716 . 1 1 64 64 TRP HZ2 H 1 7.465 0.030 . 1 . . . . 64 TRP HZ2 . 10110 1 717 . 1 1 64 64 TRP HZ3 H 1 6.932 0.030 . 1 . . . . 64 TRP HZ3 . 10110 1 718 . 1 1 64 64 TRP HH2 H 1 7.024 0.030 . 1 . . . . 64 TRP HH2 . 10110 1 719 . 1 1 64 64 TRP C C 13 176.018 0.300 . 1 . . . . 64 TRP C . 10110 1 720 . 1 1 64 64 TRP CA C 13 55.835 0.300 . 1 . . . . 64 TRP CA . 10110 1 721 . 1 1 64 64 TRP CB C 13 32.550 0.300 . 1 . . . . 64 TRP CB . 10110 1 722 . 1 1 64 64 TRP CD1 C 13 128.126 0.300 . 1 . . . . 64 TRP CD1 . 10110 1 723 . 1 1 64 64 TRP CE3 C 13 120.293 0.300 . 1 . . . . 64 TRP CE3 . 10110 1 724 . 1 1 64 64 TRP CZ2 C 13 114.848 0.300 . 1 . . . . 64 TRP CZ2 . 10110 1 725 . 1 1 64 64 TRP CZ3 C 13 122.865 0.300 . 1 . . . . 64 TRP CZ3 . 10110 1 726 . 1 1 64 64 TRP CH2 C 13 124.237 0.300 . 1 . . . . 64 TRP CH2 . 10110 1 727 . 1 1 64 64 TRP N N 15 119.966 0.300 . 1 . . . . 64 TRP N . 10110 1 728 . 1 1 64 64 TRP NE1 N 15 130.454 0.300 . 1 . . . . 64 TRP NE1 . 10110 1 729 . 1 1 65 65 GLU H H 1 9.497 0.030 . 1 . . . . 65 GLU H . 10110 1 730 . 1 1 65 65 GLU HA H 1 5.105 0.030 . 1 . . . . 65 GLU HA . 10110 1 731 . 1 1 65 65 GLU HB2 H 1 2.224 0.030 . 2 . . . . 65 GLU HB2 . 10110 1 732 . 1 1 65 65 GLU HB3 H 1 2.256 0.030 . 2 . . . . 65 GLU HB3 . 10110 1 733 . 1 1 65 65 GLU HG2 H 1 2.270 0.030 . 2 . . . . 65 GLU HG2 . 10110 1 734 . 1 1 65 65 GLU HG3 H 1 2.352 0.030 . 2 . . . . 65 GLU HG3 . 10110 1 735 . 1 1 65 65 GLU C C 13 175.894 0.300 . 1 . . . . 65 GLU C . 10110 1 736 . 1 1 65 65 GLU CA C 13 54.449 0.300 . 1 . . . . 65 GLU CA . 10110 1 737 . 1 1 65 65 GLU CB C 13 33.873 0.300 . 1 . . . . 65 GLU CB . 10110 1 738 . 1 1 65 65 GLU CG C 13 36.299 0.300 . 1 . . . . 65 GLU CG . 10110 1 739 . 1 1 65 65 GLU N N 15 121.236 0.300 . 1 . . . . 65 GLU N . 10110 1 740 . 1 1 66 66 THR H H 1 8.952 0.030 . 1 . . . . 66 THR H . 10110 1 741 . 1 1 66 66 THR HA H 1 5.037 0.030 . 1 . . . . 66 THR HA . 10110 1 742 . 1 1 66 66 THR HB H 1 4.930 0.030 . 1 . . . . 66 THR HB . 10110 1 743 . 1 1 66 66 THR HG21 H 1 1.479 0.030 . 1 . . . . 66 THR HG2 . 10110 1 744 . 1 1 66 66 THR HG22 H 1 1.479 0.030 . 1 . . . . 66 THR HG2 . 10110 1 745 . 1 1 66 66 THR HG23 H 1 1.479 0.030 . 1 . . . . 66 THR HG2 . 10110 1 746 . 1 1 66 66 THR C C 13 176.271 0.300 . 1 . . . . 66 THR C . 10110 1 747 . 1 1 66 66 THR CA C 13 62.649 0.300 . 1 . . . . 66 THR CA . 10110 1 748 . 1 1 66 66 THR CB C 13 69.043 0.300 . 1 . . . . 66 THR CB . 10110 1 749 . 1 1 66 66 THR CG2 C 13 22.297 0.300 . 1 . . . . 66 THR CG2 . 10110 1 750 . 1 1 66 66 THR N N 15 114.092 0.300 . 1 . . . . 66 THR N . 10110 1 751 . 1 1 67 67 PHE H H 1 9.167 0.030 . 1 . . . . 67 PHE H . 10110 1 752 . 1 1 67 67 PHE HA H 1 4.577 0.030 . 1 . . . . 67 PHE HA . 10110 1 753 . 1 1 67 67 PHE HB2 H 1 2.983 0.030 . 2 . . . . 67 PHE HB2 . 10110 1 754 . 1 1 67 67 PHE HB3 H 1 2.871 0.030 . 2 . . . . 67 PHE HB3 . 10110 1 755 . 1 1 67 67 PHE HD1 H 1 7.041 0.030 . 1 . . . . 67 PHE HD1 . 10110 1 756 . 1 1 67 67 PHE HD2 H 1 7.041 0.030 . 1 . . . . 67 PHE HD2 . 10110 1 757 . 1 1 67 67 PHE HE1 H 1 7.298 0.030 . 1 . . . . 67 PHE HE1 . 10110 1 758 . 1 1 67 67 PHE HE2 H 1 7.298 0.030 . 1 . . . . 67 PHE HE2 . 10110 1 759 . 1 1 67 67 PHE HZ H 1 7.171 0.030 . 1 . . . . 67 PHE HZ . 10110 1 760 . 1 1 67 67 PHE C C 13 176.782 0.300 . 1 . . . . 67 PHE C . 10110 1 761 . 1 1 67 67 PHE CA C 13 60.194 0.300 . 1 . . . . 67 PHE CA . 10110 1 762 . 1 1 67 67 PHE CB C 13 39.774 0.300 . 1 . . . . 67 PHE CB . 10110 1 763 . 1 1 67 67 PHE CD1 C 13 130.915 0.300 . 1 . . . . 67 PHE CD1 . 10110 1 764 . 1 1 67 67 PHE CD2 C 13 130.915 0.300 . 1 . . . . 67 PHE CD2 . 10110 1 765 . 1 1 67 67 PHE CE1 C 13 131.051 0.300 . 1 . . . . 67 PHE CE1 . 10110 1 766 . 1 1 67 67 PHE CE2 C 13 131.051 0.300 . 1 . . . . 67 PHE CE2 . 10110 1 767 . 1 1 67 67 PHE CZ C 13 129.662 0.300 . 1 . . . . 67 PHE CZ . 10110 1 768 . 1 1 67 67 PHE N N 15 125.238 0.300 . 1 . . . . 67 PHE N . 10110 1 769 . 1 1 68 68 ALA H H 1 9.614 0.030 . 1 . . . . 68 ALA H . 10110 1 770 . 1 1 68 68 ALA HA H 1 3.662 0.030 . 1 . . . . 68 ALA HA . 10110 1 771 . 1 1 68 68 ALA HB1 H 1 1.495 0.030 . 1 . . . . 68 ALA HB . 10110 1 772 . 1 1 68 68 ALA HB2 H 1 1.495 0.030 . 1 . . . . 68 ALA HB . 10110 1 773 . 1 1 68 68 ALA HB3 H 1 1.495 0.030 . 1 . . . . 68 ALA HB . 10110 1 774 . 1 1 68 68 ALA C C 13 180.402 0.300 . 1 . . . . 68 ALA C . 10110 1 775 . 1 1 68 68 ALA CA C 13 55.786 0.300 . 1 . . . . 68 ALA CA . 10110 1 776 . 1 1 68 68 ALA CB C 13 18.064 0.300 . 1 . . . . 68 ALA CB . 10110 1 777 . 1 1 68 68 ALA N N 15 120.441 0.300 . 1 . . . . 68 ALA N . 10110 1 778 . 1 1 69 69 GLY H H 1 7.843 0.030 . 1 . . . . 69 GLY H . 10110 1 779 . 1 1 69 69 GLY HA2 H 1 3.748 0.030 . 2 . . . . 69 GLY HA2 . 10110 1 780 . 1 1 69 69 GLY HA3 H 1 3.886 0.030 . 2 . . . . 69 GLY HA3 . 10110 1 781 . 1 1 69 69 GLY C C 13 176.283 0.300 . 1 . . . . 69 GLY C . 10110 1 782 . 1 1 69 69 GLY CA C 13 46.649 0.300 . 1 . . . . 69 GLY CA . 10110 1 783 . 1 1 69 69 GLY N N 15 105.564 0.300 . 1 . . . . 69 GLY N . 10110 1 784 . 1 1 70 70 TYR H H 1 8.308 0.030 . 1 . . . . 70 TYR H . 10110 1 785 . 1 1 70 70 TYR HA H 1 4.025 0.030 . 1 . . . . 70 TYR HA . 10110 1 786 . 1 1 70 70 TYR HB2 H 1 3.085 0.030 . 2 . . . . 70 TYR HB2 . 10110 1 787 . 1 1 70 70 TYR HB3 H 1 3.325 0.030 . 2 . . . . 70 TYR HB3 . 10110 1 788 . 1 1 70 70 TYR HD1 H 1 6.889 0.030 . 1 . . . . 70 TYR HD1 . 10110 1 789 . 1 1 70 70 TYR HD2 H 1 6.889 0.030 . 1 . . . . 70 TYR HD2 . 10110 1 790 . 1 1 70 70 TYR HE1 H 1 6.601 0.030 . 1 . . . . 70 TYR HE1 . 10110 1 791 . 1 1 70 70 TYR HE2 H 1 6.601 0.030 . 1 . . . . 70 TYR HE2 . 10110 1 792 . 1 1 70 70 TYR C C 13 179.327 0.300 . 1 . . . . 70 TYR C . 10110 1 793 . 1 1 70 70 TYR CA C 13 62.849 0.300 . 1 . . . . 70 TYR CA . 10110 1 794 . 1 1 70 70 TYR CB C 13 39.363 0.300 . 1 . . . . 70 TYR CB . 10110 1 795 . 1 1 70 70 TYR CD1 C 13 132.197 0.300 . 1 . . . . 70 TYR CD1 . 10110 1 796 . 1 1 70 70 TYR CD2 C 13 132.197 0.300 . 1 . . . . 70 TYR CD2 . 10110 1 797 . 1 1 70 70 TYR CE1 C 13 118.416 0.300 . 1 . . . . 70 TYR CE1 . 10110 1 798 . 1 1 70 70 TYR CE2 C 13 118.416 0.300 . 1 . . . . 70 TYR CE2 . 10110 1 799 . 1 1 70 70 TYR N N 15 125.493 0.300 . 1 . . . . 70 TYR N . 10110 1 800 . 1 1 71 71 LEU H H 1 8.402 0.030 . 1 . . . . 71 LEU H . 10110 1 801 . 1 1 71 71 LEU HA H 1 3.684 0.030 . 1 . . . . 71 LEU HA . 10110 1 802 . 1 1 71 71 LEU HB2 H 1 1.468 0.030 . 2 . . . . 71 LEU HB2 . 10110 1 803 . 1 1 71 71 LEU HB3 H 1 1.139 0.030 . 2 . . . . 71 LEU HB3 . 10110 1 804 . 1 1 71 71 LEU HG H 1 1.134 0.030 . 1 . . . . 71 LEU HG . 10110 1 805 . 1 1 71 71 LEU HD11 H 1 0.760 0.030 . 1 . . . . 71 LEU HD1 . 10110 1 806 . 1 1 71 71 LEU HD12 H 1 0.760 0.030 . 1 . . . . 71 LEU HD1 . 10110 1 807 . 1 1 71 71 LEU HD13 H 1 0.760 0.030 . 1 . . . . 71 LEU HD1 . 10110 1 808 . 1 1 71 71 LEU HD21 H 1 0.520 0.030 . 1 . . . . 71 LEU HD2 . 10110 1 809 . 1 1 71 71 LEU HD22 H 1 0.520 0.030 . 1 . . . . 71 LEU HD2 . 10110 1 810 . 1 1 71 71 LEU HD23 H 1 0.520 0.030 . 1 . . . . 71 LEU HD2 . 10110 1 811 . 1 1 71 71 LEU C C 13 178.840 0.300 . 1 . . . . 71 LEU C . 10110 1 812 . 1 1 71 71 LEU CA C 13 58.054 0.300 . 1 . . . . 71 LEU CA . 10110 1 813 . 1 1 71 71 LEU CB C 13 41.503 0.300 . 1 . . . . 71 LEU CB . 10110 1 814 . 1 1 71 71 LEU CG C 13 26.067 0.300 . 1 . . . . 71 LEU CG . 10110 1 815 . 1 1 71 71 LEU CD1 C 13 23.492 0.300 . 2 . . . . 71 LEU CD1 . 10110 1 816 . 1 1 71 71 LEU CD2 C 13 25.489 0.300 . 2 . . . . 71 LEU CD2 . 10110 1 817 . 1 1 71 71 LEU N N 15 119.494 0.300 . 1 . . . . 71 LEU N . 10110 1 818 . 1 1 72 72 LEU H H 1 7.321 0.030 . 1 . . . . 72 LEU H . 10110 1 819 . 1 1 72 72 LEU HA H 1 3.713 0.030 . 1 . . . . 72 LEU HA . 10110 1 820 . 1 1 72 72 LEU HB2 H 1 1.726 0.030 . 2 . . . . 72 LEU HB2 . 10110 1 821 . 1 1 72 72 LEU HB3 H 1 1.641 0.030 . 2 . . . . 72 LEU HB3 . 10110 1 822 . 1 1 72 72 LEU HG H 1 1.681 0.030 . 1 . . . . 72 LEU HG . 10110 1 823 . 1 1 72 72 LEU HD11 H 1 0.854 0.030 . 1 . . . . 72 LEU HD1 . 10110 1 824 . 1 1 72 72 LEU HD12 H 1 0.854 0.030 . 1 . . . . 72 LEU HD1 . 10110 1 825 . 1 1 72 72 LEU HD13 H 1 0.854 0.030 . 1 . . . . 72 LEU HD1 . 10110 1 826 . 1 1 72 72 LEU HD21 H 1 0.854 0.030 . 1 . . . . 72 LEU HD2 . 10110 1 827 . 1 1 72 72 LEU HD22 H 1 0.854 0.030 . 1 . . . . 72 LEU HD2 . 10110 1 828 . 1 1 72 72 LEU HD23 H 1 0.854 0.030 . 1 . . . . 72 LEU HD2 . 10110 1 829 . 1 1 72 72 LEU C C 13 177.273 0.300 . 1 . . . . 72 LEU C . 10110 1 830 . 1 1 72 72 LEU CA C 13 57.701 0.300 . 1 . . . . 72 LEU CA . 10110 1 831 . 1 1 72 72 LEU CB C 13 41.879 0.300 . 1 . . . . 72 LEU CB . 10110 1 832 . 1 1 72 72 LEU CG C 13 27.049 0.300 . 1 . . . . 72 LEU CG . 10110 1 833 . 1 1 72 72 LEU CD1 C 13 24.779 0.300 . 1 . . . . 72 LEU CD1 . 10110 1 834 . 1 1 72 72 LEU CD2 C 13 24.779 0.300 . 1 . . . . 72 LEU CD2 . 10110 1 835 . 1 1 72 72 LEU N N 15 117.179 0.300 . 1 . . . . 72 LEU N . 10110 1 836 . 1 1 73 73 LYS H H 1 6.917 0.030 . 1 . . . . 73 LYS H . 10110 1 837 . 1 1 73 73 LYS HA H 1 3.938 0.030 . 1 . . . . 73 LYS HA . 10110 1 838 . 1 1 73 73 LYS HB2 H 1 1.413 0.030 . 2 . . . . 73 LYS HB2 . 10110 1 839 . 1 1 73 73 LYS HB3 H 1 1.194 0.030 . 2 . . . . 73 LYS HB3 . 10110 1 840 . 1 1 73 73 LYS HG2 H 1 1.079 0.030 . 2 . . . . 73 LYS HG2 . 10110 1 841 . 1 1 73 73 LYS HG3 H 1 1.284 0.030 . 2 . . . . 73 LYS HG3 . 10110 1 842 . 1 1 73 73 LYS HD2 H 1 1.518 0.030 . 2 . . . . 73 LYS HD2 . 10110 1 843 . 1 1 73 73 LYS HD3 H 1 1.576 0.030 . 2 . . . . 73 LYS HD3 . 10110 1 844 . 1 1 73 73 LYS HE2 H 1 2.818 0.030 . 1 . . . . 73 LYS HE2 . 10110 1 845 . 1 1 73 73 LYS HE3 H 1 2.818 0.030 . 1 . . . . 73 LYS HE3 . 10110 1 846 . 1 1 73 73 LYS C C 13 177.336 0.300 . 1 . . . . 73 LYS C . 10110 1 847 . 1 1 73 73 LYS CA C 13 57.244 0.300 . 1 . . . . 73 LYS CA . 10110 1 848 . 1 1 73 73 LYS CB C 13 33.497 0.300 . 1 . . . . 73 LYS CB . 10110 1 849 . 1 1 73 73 LYS CG C 13 25.302 0.300 . 1 . . . . 73 LYS CG . 10110 1 850 . 1 1 73 73 LYS CD C 13 29.349 0.300 . 1 . . . . 73 LYS CD . 10110 1 851 . 1 1 73 73 LYS CE C 13 41.896 0.300 . 1 . . . . 73 LYS CE . 10110 1 852 . 1 1 73 73 LYS N N 15 113.504 0.300 . 1 . . . . 73 LYS N . 10110 1 853 . 1 1 74 74 HIS H H 1 7.188 0.030 . 1 . . . . 74 HIS H . 10110 1 854 . 1 1 74 74 HIS HA H 1 4.414 0.030 . 1 . . . . 74 HIS HA . 10110 1 855 . 1 1 74 74 HIS HB2 H 1 3.186 0.030 . 2 . . . . 74 HIS HB2 . 10110 1 856 . 1 1 74 74 HIS HB3 H 1 2.225 0.030 . 2 . . . . 74 HIS HB3 . 10110 1 857 . 1 1 74 74 HIS HD2 H 1 6.974 0.030 . 1 . . . . 74 HIS HD2 . 10110 1 858 . 1 1 74 74 HIS HE1 H 1 7.660 0.030 . 1 . . . . 74 HIS HE1 . 10110 1 859 . 1 1 74 74 HIS C C 13 173.685 0.300 . 1 . . . . 74 HIS C . 10110 1 860 . 1 1 74 74 HIS CA C 13 58.580 0.300 . 1 . . . . 74 HIS CA . 10110 1 861 . 1 1 74 74 HIS CB C 13 32.112 0.300 . 1 . . . . 74 HIS CB . 10110 1 862 . 1 1 74 74 HIS CD2 C 13 119.183 0.300 . 1 . . . . 74 HIS CD2 . 10110 1 863 . 1 1 74 74 HIS CE1 C 13 137.828 0.300 . 1 . . . . 74 HIS CE1 . 10110 1 864 . 1 1 74 74 HIS N N 15 113.887 0.300 . 1 . . . . 74 HIS N . 10110 1 865 . 1 1 75 75 ASP H H 1 8.097 0.030 . 1 . . . . 75 ASP H . 10110 1 866 . 1 1 75 75 ASP HA H 1 4.132 0.030 . 1 . . . . 75 ASP HA . 10110 1 867 . 1 1 75 75 ASP HB2 H 1 2.578 0.030 . 2 . . . . 75 ASP HB2 . 10110 1 868 . 1 1 75 75 ASP HB3 H 1 1.359 0.030 . 2 . . . . 75 ASP HB3 . 10110 1 869 . 1 1 75 75 ASP C C 13 176.706 0.300 . 1 . . . . 75 ASP C . 10110 1 870 . 1 1 75 75 ASP CA C 13 50.783 0.300 . 1 . . . . 75 ASP CA . 10110 1 871 . 1 1 75 75 ASP CB C 13 40.100 0.300 . 1 . . . . 75 ASP CB . 10110 1 872 . 1 1 75 75 ASP N N 15 121.699 0.300 . 1 . . . . 75 ASP N . 10110 1 873 . 1 1 76 76 PRO HA H 1 4.160 0.030 . 1 . . . . 76 PRO HA . 10110 1 874 . 1 1 76 76 PRO HB2 H 1 2.386 0.030 . 2 . . . . 76 PRO HB2 . 10110 1 875 . 1 1 76 76 PRO HB3 H 1 2.058 0.030 . 2 . . . . 76 PRO HB3 . 10110 1 876 . 1 1 76 76 PRO HG2 H 1 2.013 0.030 . 2 . . . . 76 PRO HG2 . 10110 1 877 . 1 1 76 76 PRO HG3 H 1 2.274 0.030 . 2 . . . . 76 PRO HG3 . 10110 1 878 . 1 1 76 76 PRO HD2 H 1 4.105 0.030 . 2 . . . . 76 PRO HD2 . 10110 1 879 . 1 1 76 76 PRO HD3 H 1 4.414 0.030 . 2 . . . . 76 PRO HD3 . 10110 1 880 . 1 1 76 76 PRO CA C 13 65.440 0.300 . 1 . . . . 76 PRO CA . 10110 1 881 . 1 1 76 76 PRO CB C 13 32.853 0.300 . 1 . . . . 76 PRO CB . 10110 1 882 . 1 1 76 76 PRO CG C 13 27.369 0.300 . 1 . . . . 76 PRO CG . 10110 1 883 . 1 1 76 76 PRO CD C 13 51.654 0.300 . 1 . . . . 76 PRO CD . 10110 1 884 . 1 1 77 77 CYS H H 1 6.670 0.030 . 1 . . . . 77 CYS H . 10110 1 885 . 1 1 77 77 CYS HA H 1 4.500 0.030 . 1 . . . . 77 CYS HA . 10110 1 886 . 1 1 77 77 CYS HB2 H 1 3.351 0.030 . 2 . . . . 77 CYS HB2 . 10110 1 887 . 1 1 77 77 CYS HB3 H 1 3.031 0.030 . 2 . . . . 77 CYS HB3 . 10110 1 888 . 1 1 77 77 CYS C C 13 177.495 0.300 . 1 . . . . 77 CYS C . 10110 1 889 . 1 1 77 77 CYS CA C 13 59.608 0.300 . 1 . . . . 77 CYS CA . 10110 1 890 . 1 1 77 77 CYS CB C 13 29.649 0.300 . 1 . . . . 77 CYS CB . 10110 1 891 . 1 1 77 77 CYS N N 15 112.378 0.300 . 1 . . . . 77 CYS N . 10110 1 892 . 1 1 78 78 ARG H H 1 7.695 0.030 . 1 . . . . 78 ARG H . 10110 1 893 . 1 1 78 78 ARG HA H 1 4.058 0.030 . 1 . . . . 78 ARG HA . 10110 1 894 . 1 1 78 78 ARG HB2 H 1 1.785 0.030 . 2 . . . . 78 ARG HB2 . 10110 1 895 . 1 1 78 78 ARG HB3 H 1 1.866 0.030 . 2 . . . . 78 ARG HB3 . 10110 1 896 . 1 1 78 78 ARG HG2 H 1 1.723 0.030 . 2 . . . . 78 ARG HG2 . 10110 1 897 . 1 1 78 78 ARG HG3 H 1 1.483 0.030 . 2 . . . . 78 ARG HG3 . 10110 1 898 . 1 1 78 78 ARG HD2 H 1 2.771 0.030 . 2 . . . . 78 ARG HD2 . 10110 1 899 . 1 1 78 78 ARG HD3 H 1 3.160 0.030 . 2 . . . . 78 ARG HD3 . 10110 1 900 . 1 1 78 78 ARG HE H 1 7.649 0.030 . 1 . . . . 78 ARG HE . 10110 1 901 . 1 1 78 78 ARG C C 13 177.210 0.300 . 1 . . . . 78 ARG C . 10110 1 902 . 1 1 78 78 ARG CA C 13 58.263 0.300 . 1 . . . . 78 ARG CA . 10110 1 903 . 1 1 78 78 ARG CB C 13 30.449 0.300 . 1 . . . . 78 ARG CB . 10110 1 904 . 1 1 78 78 ARG CG C 13 30.228 0.300 . 1 . . . . 78 ARG CG . 10110 1 905 . 1 1 78 78 ARG CD C 13 43.142 0.300 . 1 . . . . 78 ARG CD . 10110 1 906 . 1 1 78 78 ARG N N 15 124.118 0.300 . 1 . . . . 78 ARG N . 10110 1 907 . 1 1 78 78 ARG NE N 15 84.550 0.300 . 1 . . . . 78 ARG NE . 10110 1 908 . 1 1 79 79 MET H H 1 7.676 0.030 . 1 . . . . 79 MET H . 10110 1 909 . 1 1 79 79 MET HA H 1 4.256 0.030 . 1 . . . . 79 MET HA . 10110 1 910 . 1 1 79 79 MET HB2 H 1 2.033 0.030 . 2 . . . . 79 MET HB2 . 10110 1 911 . 1 1 79 79 MET HB3 H 1 1.946 0.030 . 2 . . . . 79 MET HB3 . 10110 1 912 . 1 1 79 79 MET HG2 H 1 2.464 0.030 . 1 . . . . 79 MET HG2 . 10110 1 913 . 1 1 79 79 MET HG3 H 1 2.464 0.030 . 1 . . . . 79 MET HG3 . 10110 1 914 . 1 1 79 79 MET HE1 H 1 1.965 0.030 . 1 . . . . 79 MET HE . 10110 1 915 . 1 1 79 79 MET HE2 H 1 1.965 0.030 . 1 . . . . 79 MET HE . 10110 1 916 . 1 1 79 79 MET HE3 H 1 1.965 0.030 . 1 . . . . 79 MET HE . 10110 1 917 . 1 1 79 79 MET C C 13 176.874 0.300 . 1 . . . . 79 MET C . 10110 1 918 . 1 1 79 79 MET CA C 13 56.718 0.300 . 1 . . . . 79 MET CA . 10110 1 919 . 1 1 79 79 MET CB C 13 32.933 0.300 . 1 . . . . 79 MET CB . 10110 1 920 . 1 1 79 79 MET CG C 13 31.846 0.300 . 1 . . . . 79 MET CG . 10110 1 921 . 1 1 79 79 MET CE C 13 16.735 0.300 . 1 . . . . 79 MET CE . 10110 1 922 . 1 1 79 79 MET N N 15 118.025 0.300 . 1 . . . . 79 MET N . 10110 1 923 . 1 1 80 80 LEU H H 1 7.805 0.030 . 1 . . . . 80 LEU H . 10110 1 924 . 1 1 80 80 LEU HA H 1 4.245 0.030 . 1 . . . . 80 LEU HA . 10110 1 925 . 1 1 80 80 LEU HB2 H 1 1.563 0.030 . 2 . . . . 80 LEU HB2 . 10110 1 926 . 1 1 80 80 LEU HB3 H 1 1.653 0.030 . 2 . . . . 80 LEU HB3 . 10110 1 927 . 1 1 80 80 LEU HG H 1 1.626 0.030 . 1 . . . . 80 LEU HG . 10110 1 928 . 1 1 80 80 LEU HD11 H 1 0.908 0.030 . 1 . . . . 80 LEU HD1 . 10110 1 929 . 1 1 80 80 LEU HD12 H 1 0.908 0.030 . 1 . . . . 80 LEU HD1 . 10110 1 930 . 1 1 80 80 LEU HD13 H 1 0.908 0.030 . 1 . . . . 80 LEU HD1 . 10110 1 931 . 1 1 80 80 LEU HD21 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10110 1 932 . 1 1 80 80 LEU HD22 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10110 1 933 . 1 1 80 80 LEU HD23 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10110 1 934 . 1 1 80 80 LEU C C 13 177.733 0.300 . 1 . . . . 80 LEU C . 10110 1 935 . 1 1 80 80 LEU CA C 13 55.790 0.300 . 1 . . . . 80 LEU CA . 10110 1 936 . 1 1 80 80 LEU CB C 13 41.993 0.300 . 1 . . . . 80 LEU CB . 10110 1 937 . 1 1 80 80 LEU CG C 13 27.089 0.300 . 1 . . . . 80 LEU CG . 10110 1 938 . 1 1 80 80 LEU CD1 C 13 24.888 0.300 . 2 . . . . 80 LEU CD1 . 10110 1 939 . 1 1 80 80 LEU CD2 C 13 23.498 0.300 . 2 . . . . 80 LEU CD2 . 10110 1 940 . 1 1 80 80 LEU N N 15 120.844 0.300 . 1 . . . . 80 LEU N . 10110 1 941 . 1 1 81 81 GLN H H 1 8.059 0.030 . 1 . . . . 81 GLN H . 10110 1 942 . 1 1 81 81 GLN HA H 1 4.281 0.030 . 1 . . . . 81 GLN HA . 10110 1 943 . 1 1 81 81 GLN HB2 H 1 2.114 0.030 . 2 . . . . 81 GLN HB2 . 10110 1 944 . 1 1 81 81 GLN HB3 H 1 2.013 0.030 . 2 . . . . 81 GLN HB3 . 10110 1 945 . 1 1 81 81 GLN HG2 H 1 2.312 0.030 . 2 . . . . 81 GLN HG2 . 10110 1 946 . 1 1 81 81 GLN HG3 H 1 2.430 0.030 . 2 . . . . 81 GLN HG3 . 10110 1 947 . 1 1 81 81 GLN HE21 H 1 6.952 0.030 . 2 . . . . 81 GLN HE21 . 10110 1 948 . 1 1 81 81 GLN HE22 H 1 7.349 0.030 . 2 . . . . 81 GLN HE22 . 10110 1 949 . 1 1 81 81 GLN C C 13 176.365 0.300 . 1 . . . . 81 GLN C . 10110 1 950 . 1 1 81 81 GLN CA C 13 56.521 0.300 . 1 . . . . 81 GLN CA . 10110 1 951 . 1 1 81 81 GLN CB C 13 29.534 0.300 . 1 . . . . 81 GLN CB . 10110 1 952 . 1 1 81 81 GLN CG C 13 34.081 0.300 . 1 . . . . 81 GLN CG . 10110 1 953 . 1 1 81 81 GLN N N 15 119.753 0.300 . 1 . . . . 81 GLN N . 10110 1 954 . 1 1 81 81 GLN NE2 N 15 112.839 0.300 . 1 . . . . 81 GLN NE2 . 10110 1 955 . 1 1 82 82 ILE H H 1 7.953 0.030 . 1 . . . . 82 ILE H . 10110 1 956 . 1 1 82 82 ILE HA H 1 4.146 0.030 . 1 . . . . 82 ILE HA . 10110 1 957 . 1 1 82 82 ILE HB H 1 1.873 0.030 . 1 . . . . 82 ILE HB . 10110 1 958 . 1 1 82 82 ILE HG12 H 1 1.455 0.030 . 2 . . . . 82 ILE HG12 . 10110 1 959 . 1 1 82 82 ILE HG13 H 1 1.180 0.030 . 2 . . . . 82 ILE HG13 . 10110 1 960 . 1 1 82 82 ILE HG21 H 1 0.890 0.030 . 1 . . . . 82 ILE HG2 . 10110 1 961 . 1 1 82 82 ILE HG22 H 1 0.890 0.030 . 1 . . . . 82 ILE HG2 . 10110 1 962 . 1 1 82 82 ILE HG23 H 1 0.890 0.030 . 1 . . . . 82 ILE HG2 . 10110 1 963 . 1 1 82 82 ILE HD11 H 1 0.836 0.030 . 1 . . . . 82 ILE HD1 . 10110 1 964 . 1 1 82 82 ILE HD12 H 1 0.836 0.030 . 1 . . . . 82 ILE HD1 . 10110 1 965 . 1 1 82 82 ILE HD13 H 1 0.836 0.030 . 1 . . . . 82 ILE HD1 . 10110 1 966 . 1 1 82 82 ILE CA C 13 61.557 0.300 . 1 . . . . 82 ILE CA . 10110 1 967 . 1 1 82 82 ILE CB C 13 38.782 0.300 . 1 . . . . 82 ILE CB . 10110 1 968 . 1 1 82 82 ILE CG1 C 13 27.494 0.300 . 1 . . . . 82 ILE CG1 . 10110 1 969 . 1 1 82 82 ILE CG2 C 13 17.589 0.300 . 1 . . . . 82 ILE CG2 . 10110 1 970 . 1 1 82 82 ILE CD1 C 13 13.210 0.300 . 1 . . . . 82 ILE CD1 . 10110 1 971 . 1 1 82 82 ILE N N 15 120.504 0.300 . 1 . . . . 82 ILE N . 10110 1 972 . 1 1 83 83 SER H H 1 8.260 0.030 . 1 . . . . 83 SER H . 10110 1 973 . 1 1 83 83 SER HA H 1 4.436 0.030 . 1 . . . . 83 SER HA . 10110 1 974 . 1 1 83 83 SER HB2 H 1 3.865 0.030 . 1 . . . . 83 SER HB2 . 10110 1 975 . 1 1 83 83 SER HB3 H 1 3.865 0.030 . 1 . . . . 83 SER HB3 . 10110 1 976 . 1 1 83 83 SER C C 13 174.403 0.300 . 1 . . . . 83 SER C . 10110 1 977 . 1 1 83 83 SER CA C 13 58.541 0.300 . 1 . . . . 83 SER CA . 10110 1 978 . 1 1 83 83 SER CB C 13 63.702 0.300 . 1 . . . . 83 SER CB . 10110 1 979 . 1 1 83 83 SER N N 15 118.962 0.300 . 1 . . . . 83 SER N . 10110 1 980 . 1 1 84 84 ARG H H 1 8.259 0.030 . 1 . . . . 84 ARG H . 10110 1 981 . 1 1 84 84 ARG HA H 1 4.398 0.030 . 1 . . . . 84 ARG HA . 10110 1 982 . 1 1 84 84 ARG HB2 H 1 1.790 0.030 . 2 . . . . 84 ARG HB2 . 10110 1 983 . 1 1 84 84 ARG HB3 H 1 1.894 0.030 . 2 . . . . 84 ARG HB3 . 10110 1 984 . 1 1 84 84 ARG HG2 H 1 1.658 0.030 . 2 . . . . 84 ARG HG2 . 10110 1 985 . 1 1 84 84 ARG HG3 H 1 1.595 0.030 . 2 . . . . 84 ARG HG3 . 10110 1 986 . 1 1 84 84 ARG HD2 H 1 3.200 0.030 . 1 . . . . 84 ARG HD2 . 10110 1 987 . 1 1 84 84 ARG HD3 H 1 3.200 0.030 . 1 . . . . 84 ARG HD3 . 10110 1 988 . 1 1 84 84 ARG C C 13 176.449 0.300 . 1 . . . . 84 ARG C . 10110 1 989 . 1 1 84 84 ARG CA C 13 56.089 0.300 . 1 . . . . 84 ARG CA . 10110 1 990 . 1 1 84 84 ARG CB C 13 30.988 0.300 . 1 . . . . 84 ARG CB . 10110 1 991 . 1 1 84 84 ARG CG C 13 27.085 0.300 . 1 . . . . 84 ARG CG . 10110 1 992 . 1 1 84 84 ARG CD C 13 43.409 0.300 . 1 . . . . 84 ARG CD . 10110 1 993 . 1 1 84 84 ARG N N 15 123.293 0.300 . 1 . . . . 84 ARG N . 10110 1 994 . 1 1 85 85 VAL H H 1 8.195 0.030 . 1 . . . . 85 VAL H . 10110 1 995 . 1 1 85 85 VAL HA H 1 4.144 0.030 . 1 . . . . 85 VAL HA . 10110 1 996 . 1 1 85 85 VAL HB H 1 2.099 0.030 . 1 . . . . 85 VAL HB . 10110 1 997 . 1 1 85 85 VAL HG11 H 1 0.928 0.030 . 1 . . . . 85 VAL HG1 . 10110 1 998 . 1 1 85 85 VAL HG12 H 1 0.928 0.030 . 1 . . . . 85 VAL HG1 . 10110 1 999 . 1 1 85 85 VAL HG13 H 1 0.928 0.030 . 1 . . . . 85 VAL HG1 . 10110 1 1000 . 1 1 85 85 VAL HG21 H 1 0.928 0.030 . 1 . . . . 85 VAL HG2 . 10110 1 1001 . 1 1 85 85 VAL HG22 H 1 0.928 0.030 . 1 . . . . 85 VAL HG2 . 10110 1 1002 . 1 1 85 85 VAL HG23 H 1 0.928 0.030 . 1 . . . . 85 VAL HG2 . 10110 1 1003 . 1 1 85 85 VAL C C 13 175.972 0.300 . 1 . . . . 85 VAL C . 10110 1 1004 . 1 1 85 85 VAL CA C 13 62.383 0.300 . 1 . . . . 85 VAL CA . 10110 1 1005 . 1 1 85 85 VAL CB C 13 32.776 0.300 . 1 . . . . 85 VAL CB . 10110 1 1006 . 1 1 85 85 VAL CG1 C 13 20.679 0.300 . 1 . . . . 85 VAL CG1 . 10110 1 1007 . 1 1 85 85 VAL CG2 C 13 20.679 0.300 . 1 . . . . 85 VAL CG2 . 10110 1 1008 . 1 1 85 85 VAL N N 15 120.908 0.300 . 1 . . . . 85 VAL N . 10110 1 1009 . 1 1 86 86 ASP H H 1 8.385 0.030 . 1 . . . . 86 ASP H . 10110 1 1010 . 1 1 86 86 ASP HA H 1 4.611 0.030 . 1 . . . . 86 ASP HA . 10110 1 1011 . 1 1 86 86 ASP HB2 H 1 2.710 0.030 . 2 . . . . 86 ASP HB2 . 10110 1 1012 . 1 1 86 86 ASP HB3 H 1 2.658 0.030 . 2 . . . . 86 ASP HB3 . 10110 1 1013 . 1 1 86 86 ASP C C 13 176.735 0.300 . 1 . . . . 86 ASP C . 10110 1 1014 . 1 1 86 86 ASP CA C 13 54.371 0.300 . 1 . . . . 86 ASP CA . 10110 1 1015 . 1 1 86 86 ASP CB C 13 41.334 0.300 . 1 . . . . 86 ASP CB . 10110 1 1016 . 1 1 86 86 ASP N N 15 123.646 0.300 . 1 . . . . 86 ASP N . 10110 1 1017 . 1 1 87 87 GLY H H 1 8.322 0.030 . 1 . . . . 87 GLY H . 10110 1 1018 . 1 1 87 87 GLY HA2 H 1 3.938 0.030 . 1 . . . . 87 GLY HA2 . 10110 1 1019 . 1 1 87 87 GLY HA3 H 1 3.938 0.030 . 1 . . . . 87 GLY HA3 . 10110 1 1020 . 1 1 87 87 GLY C C 13 174.301 0.300 . 1 . . . . 87 GLY C . 10110 1 1021 . 1 1 87 87 GLY CA C 13 45.515 0.300 . 1 . . . . 87 GLY CA . 10110 1 1022 . 1 1 87 87 GLY N N 15 109.232 0.300 . 1 . . . . 87 GLY N . 10110 1 1023 . 1 1 88 88 LYS H H 1 8.197 0.030 . 1 . . . . 88 LYS H . 10110 1 1024 . 1 1 88 88 LYS HA H 1 4.409 0.030 . 1 . . . . 88 LYS HA . 10110 1 1025 . 1 1 88 88 LYS HB2 H 1 1.806 0.030 . 2 . . . . 88 LYS HB2 . 10110 1 1026 . 1 1 88 88 LYS HB3 H 1 1.880 0.030 . 2 . . . . 88 LYS HB3 . 10110 1 1027 . 1 1 88 88 LYS HG2 H 1 1.434 0.030 . 1 . . . . 88 LYS HG2 . 10110 1 1028 . 1 1 88 88 LYS HG3 H 1 1.434 0.030 . 1 . . . . 88 LYS HG3 . 10110 1 1029 . 1 1 88 88 LYS HD2 H 1 1.641 0.030 . 1 . . . . 88 LYS HD2 . 10110 1 1030 . 1 1 88 88 LYS HD3 H 1 1.641 0.030 . 1 . . . . 88 LYS HD3 . 10110 1 1031 . 1 1 88 88 LYS HE2 H 1 3.007 0.030 . 1 . . . . 88 LYS HE2 . 10110 1 1032 . 1 1 88 88 LYS HE3 H 1 3.007 0.030 . 1 . . . . 88 LYS HE3 . 10110 1 1033 . 1 1 88 88 LYS C C 13 176.906 0.300 . 1 . . . . 88 LYS C . 10110 1 1034 . 1 1 88 88 LYS CA C 13 56.304 0.300 . 1 . . . . 88 LYS CA . 10110 1 1035 . 1 1 88 88 LYS CB C 13 33.084 0.300 . 1 . . . . 88 LYS CB . 10110 1 1036 . 1 1 88 88 LYS CG C 13 24.754 0.300 . 1 . . . . 88 LYS CG . 10110 1 1037 . 1 1 88 88 LYS CD C 13 29.006 0.300 . 1 . . . . 88 LYS CD . 10110 1 1038 . 1 1 88 88 LYS CE C 13 42.174 0.300 . 1 . . . . 88 LYS CE . 10110 1 1039 . 1 1 88 88 LYS N N 15 120.626 0.300 . 1 . . . . 88 LYS N . 10110 1 1040 . 1 1 89 89 THR H H 1 8.198 0.030 . 1 . . . . 89 THR H . 10110 1 1041 . 1 1 89 89 THR HA H 1 4.382 0.030 . 1 . . . . 89 THR HA . 10110 1 1042 . 1 1 89 89 THR HB H 1 4.212 0.030 . 1 . . . . 89 THR HB . 10110 1 1043 . 1 1 89 89 THR HG21 H 1 1.212 0.030 . 1 . . . . 89 THR HG2 . 10110 1 1044 . 1 1 89 89 THR HG22 H 1 1.212 0.030 . 1 . . . . 89 THR HG2 . 10110 1 1045 . 1 1 89 89 THR HG23 H 1 1.212 0.030 . 1 . . . . 89 THR HG2 . 10110 1 1046 . 1 1 89 89 THR C C 13 174.380 0.300 . 1 . . . . 89 THR C . 10110 1 1047 . 1 1 89 89 THR CA C 13 61.784 0.300 . 1 . . . . 89 THR CA . 10110 1 1048 . 1 1 89 89 THR CB C 13 69.952 0.300 . 1 . . . . 89 THR CB . 10110 1 1049 . 1 1 89 89 THR CG2 C 13 21.712 0.300 . 1 . . . . 89 THR CG2 . 10110 1 1050 . 1 1 89 89 THR N N 15 115.040 0.300 . 1 . . . . 89 THR N . 10110 1 1051 . 1 1 91 91 PRO HA H 1 4.498 0.030 . 1 . . . . 91 PRO HA . 10110 1 1052 . 1 1 91 91 PRO HB2 H 1 2.314 0.030 . 2 . . . . 91 PRO HB2 . 10110 1 1053 . 1 1 91 91 PRO HB3 H 1 1.984 0.030 . 2 . . . . 91 PRO HB3 . 10110 1 1054 . 1 1 91 91 PRO HG2 H 1 2.028 0.030 . 1 . . . . 91 PRO HG2 . 10110 1 1055 . 1 1 91 91 PRO HG3 H 1 2.028 0.030 . 1 . . . . 91 PRO HG3 . 10110 1 1056 . 1 1 91 91 PRO HD2 H 1 3.755 0.030 . 2 . . . . 91 PRO HD2 . 10110 1 1057 . 1 1 91 91 PRO HD3 H 1 3.841 0.030 . 2 . . . . 91 PRO HD3 . 10110 1 1058 . 1 1 91 91 PRO CA C 13 63.366 0.300 . 1 . . . . 91 PRO CA . 10110 1 1059 . 1 1 91 91 PRO CB C 13 32.105 0.300 . 1 . . . . 91 PRO CB . 10110 1 1060 . 1 1 91 91 PRO CG C 13 27.288 0.300 . 1 . . . . 91 PRO CG . 10110 1 1061 . 1 1 91 91 PRO CD C 13 50.810 0.300 . 1 . . . . 91 PRO CD . 10110 1 1062 . 1 1 92 92 SER H H 1 8.381 0.030 . 1 . . . . 92 SER H . 10110 1 1063 . 1 1 92 92 SER N N 15 115.812 0.300 . 1 . . . . 92 SER N . 10110 1 1064 . 1 1 93 93 GLY HA2 H 1 4.144 0.030 . 1 . . . . 93 GLY HA2 . 10110 1 1065 . 1 1 93 93 GLY HA3 H 1 4.144 0.030 . 1 . . . . 93 GLY HA3 . 10110 1 1066 . 1 1 94 94 PRO HA H 1 4.683 0.030 . 1 . . . . 94 PRO HA . 10110 1 1067 . 1 1 94 94 PRO HB2 H 1 2.183 0.030 . 2 . . . . 94 PRO HB2 . 10110 1 1068 . 1 1 94 94 PRO HB3 H 1 2.403 0.030 . 2 . . . . 94 PRO HB3 . 10110 1 1069 . 1 1 94 94 PRO HG2 H 1 1.872 0.030 . 2 . . . . 94 PRO HG2 . 10110 1 1070 . 1 1 94 94 PRO HG3 H 1 1.955 0.030 . 2 . . . . 94 PRO HG3 . 10110 1 1071 . 1 1 94 94 PRO HD2 H 1 3.641 0.030 . 1 . . . . 94 PRO HD2 . 10110 1 1072 . 1 1 94 94 PRO HD3 H 1 3.641 0.030 . 1 . . . . 94 PRO HD3 . 10110 1 1073 . 1 1 94 94 PRO CA C 13 62.577 0.300 . 1 . . . . 94 PRO CA . 10110 1 1074 . 1 1 94 94 PRO CB C 13 34.768 0.300 . 1 . . . . 94 PRO CB . 10110 1 1075 . 1 1 94 94 PRO CG C 13 24.803 0.300 . 1 . . . . 94 PRO CG . 10110 1 1076 . 1 1 94 94 PRO CD C 13 49.809 0.300 . 1 . . . . 94 PRO CD . 10110 1 stop_ save_