data_19007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19007 _Entry.Title ; Solution structure of Bacillus subtilis MinC N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Patricia Castellen . . . 19007 2 Mauricio Sforca . L. . 19007 3 Ana Zeri . 'C. M.' . 19007 4 Frederico Gueiros-Filho . J. . 19007 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 'not applicable' 'not applicable' . 19007 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brazilian Biosciences National Laboratory' . 19007 2 . 'University of Sao Paulo' . 19007 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacillus subtilis' . 19007 'FtsZ inhibitor' . 19007 MinC . 19007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 396 19007 '15N chemical shifts' 105 19007 '1H chemical shifts' 570 19007 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 . . 2014-05-05 2013-02-05 update BMRB 'update entry citation' 19007 1 . . 2014-03-03 2013-02-05 original author 'original release' 19007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1HF2 . 19007 PDB 3GHF . 19007 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19007 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24366721 _Citation.Full_citation . _Citation.Title 'Backbone and side chain NMR assignments for the N-terminal domain of the cell division regulator MinC from Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2013 _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 Patricia Castellen . . . 19007 1 2 Mauricio Sforca . L. . 19007 1 3 Frederico Gueiros-Filho . J. . 19007 1 4 'Ana Carolina' 'de Mattos Zeri' . . . 19007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19007 _Assembly.ID 1 _Assembly.Name 'MinC N-terminal monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12009.6 _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 'MinC N-terminal monomer' 1 $N_MinC A . yes native no no . . . 19007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N_MinC _Entity.Sf_category entity _Entity.Sf_framecode N_MinC _Entity.Entry_ID 19007 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N_MinC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKTKKQQYVTIKGTKNG LTLHLDDACSFDELLDGLQN MLSIEQYTDGKGQKISVHVK LGNRFLYKEQEEQLTELIAS KKDLFVHSIDSEVITKKEAQ QIREE ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12028.750 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M4I . "Solution Structure Of Bacillus Subtilis Minc N-terminal Domain" . . . . . 100.00 105 100.00 100.00 8.61e-68 . . . . 19007 1 2 no DBJ BAI86288 . "septum formation inhibitor [Bacillus subtilis subsp. natto BEST195]" . . . . . 97.14 229 99.02 100.00 2.04e-63 . . . . 19007 1 3 no DBJ BAM53235 . "septum formation inhibitor [Bacillus subtilis BEST7613]" . . . . . 97.14 229 99.02 100.00 2.04e-63 . . . . 19007 1 4 no DBJ BAM58877 . "septum formation inhibitor [Bacillus subtilis BEST7003]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 5 no DBJ GAK80357 . "septum formation inhibitor [Bacillus subtilis Miyagi-4]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 6 no EMBL CAA78817 . "MinC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 7 no EMBL CAB14760 . "cell-division regulator (septum placement) [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 8 no EMBL CCU59291 . "Septum site-determining protein MinC [Bacillus subtilis E1]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 9 no EMBL CEI58029 . "septum site-determining protein MinC [Bacillus subtilis]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 10 no EMBL CEJ78451 . "septum site-determining protein MinC [Bacillus sp.]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 11 no GB AAA22400 . "MinC protein [Bacillus subtilis]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 12 no GB AAA22608 . "putative [Bacillus subtilis]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 13 no GB ADV93591 . "septum formation inhibitor [Bacillus subtilis BSn5]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 14 no GB AEP87646 . "septum site-determining protein MinC [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 97.14 226 97.06 100.00 2.03e-62 . . . . 19007 1 15 no GB AEP91794 . "septum site-determining protein MinC [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 97.14 226 99.02 100.00 1.55e-63 . . . . 19007 1 16 no REF NP_390678 . "septum site-determining protein MinC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 17 no REF WP_003222613 . "MULTISPECIES: septation inhibitor protein [Bacillales]" . . . . . 97.14 226 97.06 100.00 2.03e-62 . . . . 19007 1 18 no REF WP_003237567 . "septum site-determining protein MinC [Bacillus subtilis]" . . . . . 97.14 226 97.06 100.00 2.14e-62 . . . . 19007 1 19 no REF WP_004398901 . "MULTISPECIES: septum site-determining protein MinC [Bacillus]" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 1 20 no REF WP_014477549 . "septum site-determining protein MinC [Bacillus subtilis]" . . . . . 97.14 226 99.02 100.00 1.55e-63 . . . . 19007 1 21 no SP Q01463 . "RecName: Full=Septum site-determining protein MinC" . . . . . 97.14 226 100.00 100.00 4.17e-64 . . . . 19007 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 1 GLY . 19007 1 2 2 SER . 19007 1 3 3 HIS . 19007 1 4 4 MET . 19007 1 5 5 LYS . 19007 1 6 6 THR . 19007 1 7 7 LYS . 19007 1 8 8 LYS . 19007 1 9 9 GLN . 19007 1 10 10 GLN . 19007 1 11 11 TYR . 19007 1 12 12 VAL . 19007 1 13 13 THR . 19007 1 14 14 ILE . 19007 1 15 15 LYS . 19007 1 16 16 GLY . 19007 1 17 17 THR . 19007 1 18 18 LYS . 19007 1 19 19 ASN . 19007 1 20 20 GLY . 19007 1 21 21 LEU . 19007 1 22 22 THR . 19007 1 23 23 LEU . 19007 1 24 24 HIS . 19007 1 25 25 LEU . 19007 1 26 26 ASP . 19007 1 27 27 ASP . 19007 1 28 28 ALA . 19007 1 29 29 CYS . 19007 1 30 30 SER . 19007 1 31 31 PHE . 19007 1 32 32 ASP . 19007 1 33 33 GLU . 19007 1 34 34 LEU . 19007 1 35 35 LEU . 19007 1 36 36 ASP . 19007 1 37 37 GLY . 19007 1 38 38 LEU . 19007 1 39 39 GLN . 19007 1 40 40 ASN . 19007 1 41 41 MET . 19007 1 42 42 LEU . 19007 1 43 43 SER . 19007 1 44 44 ILE . 19007 1 45 45 GLU . 19007 1 46 46 GLN . 19007 1 47 47 TYR . 19007 1 48 48 THR . 19007 1 49 49 ASP . 19007 1 50 50 GLY . 19007 1 51 51 LYS . 19007 1 52 52 GLY . 19007 1 53 53 GLN . 19007 1 54 54 LYS . 19007 1 55 55 ILE . 19007 1 56 56 SER . 19007 1 57 57 VAL . 19007 1 58 58 HIS . 19007 1 59 59 VAL . 19007 1 60 60 LYS . 19007 1 61 61 LEU . 19007 1 62 62 GLY . 19007 1 63 63 ASN . 19007 1 64 64 ARG . 19007 1 65 65 PHE . 19007 1 66 66 LEU . 19007 1 67 67 TYR . 19007 1 68 68 LYS . 19007 1 69 69 GLU . 19007 1 70 70 GLN . 19007 1 71 71 GLU . 19007 1 72 72 GLU . 19007 1 73 73 GLN . 19007 1 74 74 LEU . 19007 1 75 75 THR . 19007 1 76 76 GLU . 19007 1 77 77 LEU . 19007 1 78 78 ILE . 19007 1 79 79 ALA . 19007 1 80 80 SER . 19007 1 81 81 LYS . 19007 1 82 82 LYS . 19007 1 83 83 ASP . 19007 1 84 84 LEU . 19007 1 85 85 PHE . 19007 1 86 86 VAL . 19007 1 87 87 HIS . 19007 1 88 88 SER . 19007 1 89 89 ILE . 19007 1 90 90 ASP . 19007 1 91 91 SER . 19007 1 92 92 GLU . 19007 1 93 93 VAL . 19007 1 94 94 ILE . 19007 1 95 95 THR . 19007 1 96 96 LYS . 19007 1 97 97 LYS . 19007 1 98 98 GLU . 19007 1 99 99 ALA . 19007 1 100 100 GLN . 19007 1 101 101 GLN . 19007 1 102 102 ILE . 19007 1 103 103 ARG . 19007 1 104 104 GLU . 19007 1 105 105 GLU . 19007 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 19007 1 . SER 2 2 19007 1 . HIS 3 3 19007 1 . MET 4 4 19007 1 . LYS 5 5 19007 1 . THR 6 6 19007 1 . LYS 7 7 19007 1 . LYS 8 8 19007 1 . GLN 9 9 19007 1 . GLN 10 10 19007 1 . TYR 11 11 19007 1 . VAL 12 12 19007 1 . THR 13 13 19007 1 . ILE 14 14 19007 1 . LYS 15 15 19007 1 . GLY 16 16 19007 1 . THR 17 17 19007 1 . LYS 18 18 19007 1 . ASN 19 19 19007 1 . GLY 20 20 19007 1 . LEU 21 21 19007 1 . THR 22 22 19007 1 . LEU 23 23 19007 1 . HIS 24 24 19007 1 . LEU 25 25 19007 1 . ASP 26 26 19007 1 . ASP 27 27 19007 1 . ALA 28 28 19007 1 . CYS 29 29 19007 1 . SER 30 30 19007 1 . PHE 31 31 19007 1 . ASP 32 32 19007 1 . GLU 33 33 19007 1 . LEU 34 34 19007 1 . LEU 35 35 19007 1 . ASP 36 36 19007 1 . GLY 37 37 19007 1 . LEU 38 38 19007 1 . GLN 39 39 19007 1 . ASN 40 40 19007 1 . MET 41 41 19007 1 . LEU 42 42 19007 1 . SER 43 43 19007 1 . ILE 44 44 19007 1 . GLU 45 45 19007 1 . GLN 46 46 19007 1 . TYR 47 47 19007 1 . THR 48 48 19007 1 . ASP 49 49 19007 1 . GLY 50 50 19007 1 . LYS 51 51 19007 1 . GLY 52 52 19007 1 . GLN 53 53 19007 1 . LYS 54 54 19007 1 . ILE 55 55 19007 1 . SER 56 56 19007 1 . VAL 57 57 19007 1 . HIS 58 58 19007 1 . VAL 59 59 19007 1 . LYS 60 60 19007 1 . LEU 61 61 19007 1 . GLY 62 62 19007 1 . ASN 63 63 19007 1 . ARG 64 64 19007 1 . PHE 65 65 19007 1 . LEU 66 66 19007 1 . TYR 67 67 19007 1 . LYS 68 68 19007 1 . GLU 69 69 19007 1 . GLN 70 70 19007 1 . GLU 71 71 19007 1 . GLU 72 72 19007 1 . GLN 73 73 19007 1 . LEU 74 74 19007 1 . THR 75 75 19007 1 . GLU 76 76 19007 1 . LEU 77 77 19007 1 . ILE 78 78 19007 1 . ALA 79 79 19007 1 . SER 80 80 19007 1 . LYS 81 81 19007 1 . LYS 82 82 19007 1 . ASP 83 83 19007 1 . LEU 84 84 19007 1 . PHE 85 85 19007 1 . VAL 86 86 19007 1 . HIS 87 87 19007 1 . SER 88 88 19007 1 . ILE 89 89 19007 1 . ASP 90 90 19007 1 . SER 91 91 19007 1 . GLU 92 92 19007 1 . VAL 93 93 19007 1 . ILE 94 94 19007 1 . THR 95 95 19007 1 . LYS 96 96 19007 1 . LYS 97 97 19007 1 . GLU 98 98 19007 1 . ALA 99 99 19007 1 . GLN 100 100 19007 1 . GLN 101 101 19007 1 . ILE 102 102 19007 1 . ARG 103 103 19007 1 . GLU 104 104 19007 1 . GLU 105 105 19007 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19007 _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 $N_MinC . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . minC . ; MinC is a regulatory protein that inhibits assembly of the FtsZ cytokinetic ring of bacteria. ; . . 19007 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 19007 _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 $N_MinC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pAT6 . . . . . . 19007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19007 _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 N_MinC '[U-99% 13C; U-99% 15N]' . . 1 $N_MinC . . 0.45 . . mM . . . . 19007 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19007 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19007 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19007 _Sample.ID 2 _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 protein '[U-100% 15N]' . . 1 $N_MinC . . 0.45 . . mM . . . . 19007 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19007 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19007 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19007 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 protein '[U-99% 13C; U-99% 15N]' . . 1 $N_MinC . . 0.45 . . mM . . . . 19007 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19007 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19007 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19007 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19007 _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' 0.1 . M 19007 1 pH 7.4 . pH 19007 1 pressure 1 . atm 19007 1 temperature 298 . K 19007 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19007 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19007 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19007 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19007 2 processing 19007 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19007 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19007 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19007 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19007 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19007 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19007 4 refinement 19007 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19007 _Software.ID 5 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19007 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19007 5 processing 19007 5 stop_ save_ save_Smart_Notebook _Software.Sf_category software _Software.Sf_framecode Smart_Notebook _Software.Entry_ID 19007 _Software.ID 6 _Software.Name Smart_Notebook _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Smart Notebook) Slupsky et al., 2003.' . . 19007 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19007 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19007 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19007 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19007 7 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 19007 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5mm cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19007 _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 spectometer_1 Varian INOVA . 600 '5mm cryoprobe' . . 19007 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 19007 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 12 'T1 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 13 'T2 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 14 'NOE 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19007 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19007 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19007 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19007 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19007 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19007 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19007 1 2 '2D 1H-13C HSQC aliphatic' . . . 19007 1 3 '2D 1H-13C HSQC aromatic' . . . 19007 1 6 '3D HNCO' . . . 19007 1 7 '3D HNCA' . . . 19007 1 8 '3D HNCACB' . . . 19007 1 9 '3D HCCH-TOCSY' . . . 19007 1 11 '3D CCH-TOCSY' . . . 19007 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 6 6 THR HA H 1 4.321 0.020 . 1 . . . A 6 THR HA . 19007 1 2 . 1 1 6 6 THR HB H 1 4.274 0.020 . 1 . . . A 6 THR HB . 19007 1 3 . 1 1 6 6 THR HG21 H 1 1.142 0.020 . 1 . . . A 6 THR HG21 . 19007 1 4 . 1 1 6 6 THR HG22 H 1 1.142 0.020 . 1 . . . A 6 THR HG22 . 19007 1 5 . 1 1 6 6 THR HG23 H 1 1.142 0.020 . 1 . . . A 6 THR HG23 . 19007 1 6 . 1 1 6 6 THR C C 13 174.339 0.400 . 1 . . . A 6 THR C . 19007 1 7 . 1 1 6 6 THR CA C 13 62.139 0.400 . 1 . . . A 6 THR CA . 19007 1 8 . 1 1 6 6 THR CB C 13 69.788 0.400 . 1 . . . A 6 THR CB . 19007 1 9 . 1 1 6 6 THR CG2 C 13 21.566 0.400 . 1 . . . A 6 THR CG2 . 19007 1 10 . 1 1 7 7 LYS H H 1 8.320 0.020 . 1 . . . A 7 LYS H . 19007 1 11 . 1 1 7 7 LYS HA H 1 4.265 0.020 . 1 . . . A 7 LYS HA . 19007 1 12 . 1 1 7 7 LYS HB2 H 1 1.721 0.020 . 2 . . . A 7 LYS HB2 . 19007 1 13 . 1 1 7 7 LYS HB3 H 1 1.785 0.020 . 2 . . . A 7 LYS HB3 . 19007 1 14 . 1 1 7 7 LYS HG2 H 1 1.392 0.020 . 2 . . . A 7 LYS HG2 . 19007 1 15 . 1 1 7 7 LYS HG3 H 1 1.392 0.020 . 2 . . . A 7 LYS HG3 . 19007 1 16 . 1 1 7 7 LYS HD2 H 1 1.652 0.020 . 2 . . . A 7 LYS HD2 . 19007 1 17 . 1 1 7 7 LYS HD3 H 1 1.652 0.020 . 2 . . . A 7 LYS HD3 . 19007 1 18 . 1 1 7 7 LYS HE2 H 1 2.955 0.020 . 2 . . . A 7 LYS HE2 . 19007 1 19 . 1 1 7 7 LYS HE3 H 1 2.955 0.020 . 2 . . . A 7 LYS HE3 . 19007 1 20 . 1 1 7 7 LYS C C 13 176.341 0.400 . 1 . . . A 7 LYS C . 19007 1 21 . 1 1 7 7 LYS CA C 13 56.980 0.400 . 1 . . . A 7 LYS CA . 19007 1 22 . 1 1 7 7 LYS CB C 13 33.110 0.400 . 1 . . . A 7 LYS CB . 19007 1 23 . 1 1 7 7 LYS CG C 13 24.919 0.400 . 1 . . . A 7 LYS CG . 19007 1 24 . 1 1 7 7 LYS CD C 13 29.155 0.400 . 1 . . . A 7 LYS CD . 19007 1 25 . 1 1 7 7 LYS CE C 13 42.004 0.400 . 1 . . . A 7 LYS CE . 19007 1 26 . 1 1 7 7 LYS N N 15 124.350 0.400 . 1 . . . A 7 LYS N . 19007 1 27 . 1 1 8 8 LYS H H 1 8.340 0.020 . 1 . . . A 8 LYS H . 19007 1 28 . 1 1 8 8 LYS HA H 1 4.253 0.020 . 1 . . . A 8 LYS HA . 19007 1 29 . 1 1 8 8 LYS HB2 H 1 1.721 0.020 . 2 . . . A 8 LYS HB2 . 19007 1 30 . 1 1 8 8 LYS HB3 H 1 1.785 0.020 . 2 . . . A 8 LYS HB3 . 19007 1 31 . 1 1 8 8 LYS HG2 H 1 1.392 0.020 . 2 . . . A 8 LYS HG2 . 19007 1 32 . 1 1 8 8 LYS HG3 H 1 1.392 0.020 . 2 . . . A 8 LYS HG3 . 19007 1 33 . 1 1 8 8 LYS HD2 H 1 1.652 0.020 . 2 . . . A 8 LYS HD2 . 19007 1 34 . 1 1 8 8 LYS HD3 H 1 1.652 0.020 . 2 . . . A 8 LYS HD3 . 19007 1 35 . 1 1 8 8 LYS HE2 H 1 2.955 0.020 . 2 . . . A 8 LYS HE2 . 19007 1 36 . 1 1 8 8 LYS HE3 H 1 2.955 0.020 . 2 . . . A 8 LYS HE3 . 19007 1 37 . 1 1 8 8 LYS C C 13 176.083 0.400 . 1 . . . A 8 LYS C . 19007 1 38 . 1 1 8 8 LYS CA C 13 56.450 0.400 . 1 . . . A 8 LYS CA . 19007 1 39 . 1 1 8 8 LYS CB C 13 33.480 0.400 . 1 . . . A 8 LYS CB . 19007 1 40 . 1 1 8 8 LYS CG C 13 24.919 0.400 . 1 . . . A 8 LYS CG . 19007 1 41 . 1 1 8 8 LYS CD C 13 29.155 0.400 . 1 . . . A 8 LYS CD . 19007 1 42 . 1 1 8 8 LYS CE C 13 42.004 0.400 . 1 . . . A 8 LYS CE . 19007 1 43 . 1 1 8 8 LYS N N 15 123.170 0.400 . 1 . . . A 8 LYS N . 19007 1 44 . 1 1 9 9 GLN H H 1 8.440 0.020 . 1 . . . A 9 GLN H . 19007 1 45 . 1 1 9 9 GLN HA H 1 4.289 0.020 . 1 . . . A 9 GLN HA . 19007 1 46 . 1 1 9 9 GLN HB3 H 1 1.902 0.020 . 2 . . . A 9 GLN HB3 . 19007 1 47 . 1 1 9 9 GLN HG3 H 1 2.039 0.020 . 2 . . . A 9 GLN HG3 . 19007 1 48 . 1 1 9 9 GLN HE21 H 1 7.507 0.020 . 2 . . . A 9 GLN HE21 . 19007 1 49 . 1 1 9 9 GLN HE22 H 1 6.844 0.020 . 2 . . . A 9 GLN HE22 . 19007 1 50 . 1 1 9 9 GLN C C 13 174.914 0.400 . 1 . . . A 9 GLN C . 19007 1 51 . 1 1 9 9 GLN CA C 13 56.520 0.400 . 1 . . . A 9 GLN CA . 19007 1 52 . 1 1 9 9 GLN CB C 13 30.790 0.400 . 1 . . . A 9 GLN CB . 19007 1 53 . 1 1 9 9 GLN CG C 13 36.626 0.400 . 1 . . . A 9 GLN CG . 19007 1 54 . 1 1 9 9 GLN N N 15 123.010 0.400 . 1 . . . A 9 GLN N . 19007 1 55 . 1 1 9 9 GLN NE2 N 15 112.228 0.400 . 1 . . . A 9 GLN NE2 . 19007 1 56 . 1 1 10 10 GLN H H 1 8.170 0.020 . 1 . . . A 10 GLN H . 19007 1 57 . 1 1 10 10 GLN HA H 1 4.769 0.020 . 1 . . . A 10 GLN HA . 19007 1 58 . 1 1 10 10 GLN HB3 H 1 1.815 0.020 . 2 . . . A 10 GLN HB3 . 19007 1 59 . 1 1 10 10 GLN HG3 H 1 2.039 0.020 . 2 . . . A 10 GLN HG3 . 19007 1 60 . 1 1 10 10 GLN HE21 H 1 7.463 0.020 . 2 . . . A 10 GLN HE21 . 19007 1 61 . 1 1 10 10 GLN HE22 H 1 6.837 0.020 . 2 . . . A 10 GLN HE22 . 19007 1 62 . 1 1 10 10 GLN C C 13 175.865 0.400 . 1 . . . A 10 GLN C . 19007 1 63 . 1 1 10 10 GLN CA C 13 55.580 0.400 . 1 . . . A 10 GLN CA . 19007 1 64 . 1 1 10 10 GLN CB C 13 29.630 0.400 . 1 . . . A 10 GLN CB . 19007 1 65 . 1 1 10 10 GLN CG C 13 36.626 0.400 . 1 . . . A 10 GLN CG . 19007 1 66 . 1 1 10 10 GLN N N 15 121.180 0.400 . 1 . . . A 10 GLN N . 19007 1 67 . 1 1 10 10 GLN NE2 N 15 112.164 0.400 . 1 . . . A 10 GLN NE2 . 19007 1 68 . 1 1 11 11 TYR H H 1 8.470 0.020 . 1 . . . A 11 TYR H . 19007 1 69 . 1 1 11 11 TYR HA H 1 4.769 0.020 . 1 . . . A 11 TYR HA . 19007 1 70 . 1 1 11 11 TYR HB3 H 1 1.828 0.020 . 2 . . . A 11 TYR HB3 . 19007 1 71 . 1 1 11 11 TYR HD1 H 1 7.617 0.020 . 1 . . . A 11 TYR HD1 . 19007 1 72 . 1 1 11 11 TYR HE1 H 1 6.906 0.020 . 1 . . . A 11 TYR HE1 . 19007 1 73 . 1 1 11 11 TYR C C 13 174.319 0.400 . 1 . . . A 11 TYR C . 19007 1 74 . 1 1 11 11 TYR CA C 13 58.490 0.400 . 1 . . . A 11 TYR CA . 19007 1 75 . 1 1 11 11 TYR CB C 13 39.350 0.400 . 1 . . . A 11 TYR CB . 19007 1 76 . 1 1 11 11 TYR CD1 C 13 136.931 0.400 . 1 . . . A 11 TYR CD1 . 19007 1 77 . 1 1 11 11 TYR CE1 C 13 117.246 0.400 . 1 . . . A 11 TYR CE1 . 19007 1 78 . 1 1 11 11 TYR N N 15 120.110 0.400 . 1 . . . A 11 TYR N . 19007 1 79 . 1 1 12 12 VAL H H 1 7.590 0.020 . 1 . . . A 12 VAL H . 19007 1 80 . 1 1 12 12 VAL HA H 1 4.793 0.020 . 1 . . . A 12 VAL HA . 19007 1 81 . 1 1 12 12 VAL HB H 1 1.920 0.020 . 1 . . . A 12 VAL HB . 19007 1 82 . 1 1 12 12 VAL HG11 H 1 0.775 0.020 . 1 . . . A 12 VAL HG11 . 19007 1 83 . 1 1 12 12 VAL HG12 H 1 0.775 0.020 . 1 . . . A 12 VAL HG12 . 19007 1 84 . 1 1 12 12 VAL HG13 H 1 0.775 0.020 . 1 . . . A 12 VAL HG13 . 19007 1 85 . 1 1 12 12 VAL HG21 H 1 0.828 0.020 . 1 . . . A 12 VAL HG21 . 19007 1 86 . 1 1 12 12 VAL HG22 H 1 0.828 0.020 . 1 . . . A 12 VAL HG22 . 19007 1 87 . 1 1 12 12 VAL HG23 H 1 0.828 0.020 . 1 . . . A 12 VAL HG23 . 19007 1 88 . 1 1 12 12 VAL C C 13 174.636 0.400 . 1 . . . A 12 VAL C . 19007 1 89 . 1 1 12 12 VAL CA C 13 60.730 0.400 . 1 . . . A 12 VAL CA . 19007 1 90 . 1 1 12 12 VAL CB C 13 34.790 0.400 . 1 . . . A 12 VAL CB . 19007 1 91 . 1 1 12 12 VAL CG1 C 13 21.402 0.400 . 1 . . . A 12 VAL CG1 . 19007 1 92 . 1 1 12 12 VAL CG2 C 13 21.430 0.400 . 1 . . . A 12 VAL CG2 . 19007 1 93 . 1 1 12 12 VAL N N 15 117.030 0.400 . 1 . . . A 12 VAL N . 19007 1 94 . 1 1 13 13 THR H H 1 8.620 0.020 . 1 . . . A 13 THR H . 19007 1 95 . 1 1 13 13 THR HA H 1 4.615 0.020 . 1 . . . A 13 THR HA . 19007 1 96 . 1 1 13 13 THR HB H 1 4.066 0.020 . 1 . . . A 13 THR HB . 19007 1 97 . 1 1 13 13 THR HG21 H 1 1.123 0.020 . 1 . . . A 13 THR HG21 . 19007 1 98 . 1 1 13 13 THR HG22 H 1 1.123 0.020 . 1 . . . A 13 THR HG22 . 19007 1 99 . 1 1 13 13 THR HG23 H 1 1.123 0.020 . 1 . . . A 13 THR HG23 . 19007 1 100 . 1 1 13 13 THR C C 13 173.030 0.400 . 1 . . . A 13 THR C . 19007 1 101 . 1 1 13 13 THR CA C 13 61.540 0.400 . 1 . . . A 13 THR CA . 19007 1 102 . 1 1 13 13 THR CB C 13 71.050 0.400 . 1 . . . A 13 THR CB . 19007 1 103 . 1 1 13 13 THR CG2 C 13 21.730 0.400 . 1 . . . A 13 THR CG2 . 19007 1 104 . 1 1 13 13 THR N N 15 121.770 0.400 . 1 . . . A 13 THR N . 19007 1 105 . 1 1 14 14 ILE H H 1 8.890 0.020 . 1 . . . A 14 ILE H . 19007 1 106 . 1 1 14 14 ILE HA H 1 4.781 0.020 . 1 . . . A 14 ILE HA . 19007 1 107 . 1 1 14 14 ILE HB H 1 1.592 0.020 . 1 . . . A 14 ILE HB . 19007 1 108 . 1 1 14 14 ILE HG13 H 1 1.427 0.020 . 2 . . . A 14 ILE HG13 . 19007 1 109 . 1 1 14 14 ILE HG21 H 1 0.640 0.020 . 1 . . . A 14 ILE HG21 . 19007 1 110 . 1 1 14 14 ILE HG22 H 1 0.640 0.020 . 1 . . . A 14 ILE HG22 . 19007 1 111 . 1 1 14 14 ILE HG23 H 1 0.640 0.020 . 1 . . . A 14 ILE HG23 . 19007 1 112 . 1 1 14 14 ILE HD11 H 1 0.591 0.020 . 1 . . . A 14 ILE HD11 . 19007 1 113 . 1 1 14 14 ILE HD12 H 1 0.591 0.020 . 1 . . . A 14 ILE HD12 . 19007 1 114 . 1 1 14 14 ILE HD13 H 1 0.591 0.020 . 1 . . . A 14 ILE HD13 . 19007 1 115 . 1 1 14 14 ILE C C 13 175.112 0.400 . 1 . . . A 14 ILE C . 19007 1 116 . 1 1 14 14 ILE CA C 13 61.120 0.400 . 1 . . . A 14 ILE CA . 19007 1 117 . 1 1 14 14 ILE CB C 13 40.340 0.400 . 1 . . . A 14 ILE CB . 19007 1 118 . 1 1 14 14 ILE CG1 C 13 28.318 0.400 . 1 . . . A 14 ILE CG1 . 19007 1 119 . 1 1 14 14 ILE CG2 C 13 17.941 0.400 . 1 . . . A 14 ILE CG2 . 19007 1 120 . 1 1 14 14 ILE CD1 C 13 13.705 0.400 . 1 . . . A 14 ILE CD1 . 19007 1 121 . 1 1 14 14 ILE N N 15 126.190 0.400 . 1 . . . A 14 ILE N . 19007 1 122 . 1 1 15 15 LYS H H 1 8.850 0.020 . 1 . . . A 15 LYS H . 19007 1 123 . 1 1 15 15 LYS HA H 1 4.734 0.020 . 1 . . . A 15 LYS HA . 19007 1 124 . 1 1 15 15 LYS HB2 H 1 1.724 0.020 . 2 . . . A 15 LYS HB2 . 19007 1 125 . 1 1 15 15 LYS HB3 H 1 1.878 0.020 . 2 . . . A 15 LYS HB3 . 19007 1 126 . 1 1 15 15 LYS HG3 H 1 1.400 0.020 . 2 . . . A 15 LYS HG3 . 19007 1 127 . 1 1 15 15 LYS HD3 H 1 1.650 0.020 . 2 . . . A 15 LYS HD3 . 19007 1 128 . 1 1 15 15 LYS HE3 H 1 3.074 0.020 . 2 . . . A 15 LYS HE3 . 19007 1 129 . 1 1 15 15 LYS C C 13 175.409 0.400 . 1 . . . A 15 LYS C . 19007 1 130 . 1 1 15 15 LYS CA C 13 54.740 0.400 . 1 . . . A 15 LYS CA . 19007 1 131 . 1 1 15 15 LYS CB C 13 35.430 0.400 . 1 . . . A 15 LYS CB . 19007 1 132 . 1 1 15 15 LYS CG C 13 24.955 0.400 . 1 . . . A 15 LYS CG . 19007 1 133 . 1 1 15 15 LYS CD C 13 28.899 0.400 . 1 . . . A 15 LYS CD . 19007 1 134 . 1 1 15 15 LYS CE C 13 41.285 0.400 . 1 . . . A 15 LYS CE . 19007 1 135 . 1 1 15 15 LYS N N 15 127.020 0.400 . 1 . . . A 15 LYS N . 19007 1 136 . 1 1 16 16 GLY H H 1 8.870 0.020 . 1 . . . A 16 GLY H . 19007 1 137 . 1 1 16 16 GLY HA3 H 1 4.758 0.020 . 2 . . . A 16 GLY HA3 . 19007 1 138 . 1 1 16 16 GLY C C 13 172.566 0.400 . 1 . . . A 16 GLY C . 19007 1 139 . 1 1 16 16 GLY CA C 13 45.560 0.400 . 1 . . . A 16 GLY CA . 19007 1 140 . 1 1 16 16 GLY N N 15 112.120 0.400 . 1 . . . A 16 GLY N . 19007 1 141 . 1 1 17 17 THR H H 1 8.380 0.020 . 1 . . . A 17 THR H . 19007 1 142 . 1 1 17 17 THR HA H 1 4.753 0.020 . 1 . . . A 17 THR HA . 19007 1 143 . 1 1 17 17 THR HB H 1 4.464 0.020 . 1 . . . A 17 THR HB . 19007 1 144 . 1 1 17 17 THR HG21 H 1 1.104 0.020 . 1 . . . A 17 THR HG21 . 19007 1 145 . 1 1 17 17 THR HG22 H 1 1.104 0.020 . 1 . . . A 17 THR HG22 . 19007 1 146 . 1 1 17 17 THR HG23 H 1 1.104 0.020 . 1 . . . A 17 THR HG23 . 19007 1 147 . 1 1 17 17 THR CA C 13 60.360 0.400 . 1 . . . A 17 THR CA . 19007 1 148 . 1 1 17 17 THR CB C 13 72.040 0.400 . 1 . . . A 17 THR CB . 19007 1 149 . 1 1 17 17 THR CG2 C 13 21.553 0.400 . 1 . . . A 17 THR CG2 . 19007 1 150 . 1 1 17 17 THR N N 15 114.520 0.400 . 1 . . . A 17 THR N . 19007 1 151 . 1 1 19 19 ASN HA H 1 4.778 0.020 . 1 . . . A 19 ASN HA . 19007 1 152 . 1 1 19 19 ASN HB2 H 1 2.581 0.020 . 2 . . . A 19 ASN HB2 . 19007 1 153 . 1 1 19 19 ASN HB3 H 1 2.919 0.020 . 2 . . . A 19 ASN HB3 . 19007 1 154 . 1 1 19 19 ASN C C 13 174.616 0.400 . 1 . . . A 19 ASN C . 19007 1 155 . 1 1 19 19 ASN CA C 13 53.700 0.400 . 1 . . . A 19 ASN CA . 19007 1 156 . 1 1 19 19 ASN CB C 13 39.018 0.400 . 1 . . . A 19 ASN CB . 19007 1 157 . 1 1 20 20 GLY H H 1 7.590 0.020 . 1 . . . A 20 GLY H . 19007 1 158 . 1 1 20 20 GLY HA2 H 1 4.359 0.020 . 2 . . . A 20 GLY HA2 . 19007 1 159 . 1 1 20 20 GLY HA3 H 1 4.124 0.020 . 2 . . . A 20 GLY HA3 . 19007 1 160 . 1 1 20 20 GLY C C 13 172.297 0.400 . 1 . . . A 20 GLY C . 19007 1 161 . 1 1 20 20 GLY CA C 13 46.310 0.400 . 1 . . . A 20 GLY CA . 19007 1 162 . 1 1 20 20 GLY N N 15 108.600 0.400 . 1 . . . A 20 GLY N . 19007 1 163 . 1 1 21 21 LEU H H 1 8.760 0.020 . 1 . . . A 21 LEU H . 19007 1 164 . 1 1 21 21 LEU HA H 1 5.015 0.020 . 1 . . . A 21 LEU HA . 19007 1 165 . 1 1 21 21 LEU HB2 H 1 1.312 0.020 . 2 . . . A 21 LEU HB2 . 19007 1 166 . 1 1 21 21 LEU HB3 H 1 1.510 0.020 . 2 . . . A 21 LEU HB3 . 19007 1 167 . 1 1 21 21 LEU HG H 1 0.692 0.020 . 1 . . . A 21 LEU HG . 19007 1 168 . 1 1 21 21 LEU C C 13 176.202 0.400 . 1 . . . A 21 LEU C . 19007 1 169 . 1 1 21 21 LEU CA C 13 54.090 0.400 . 1 . . . A 21 LEU CA . 19007 1 170 . 1 1 21 21 LEU CB C 13 45.940 0.400 . 1 . . . A 21 LEU CB . 19007 1 171 . 1 1 21 21 LEU CG C 13 25.323 0.400 . 1 . . . A 21 LEU CG . 19007 1 172 . 1 1 21 21 LEU CD1 C 13 24.104 0.400 . 1 . . . A 21 LEU CD1 . 19007 1 173 . 1 1 21 21 LEU CD2 C 13 24.104 0.400 . 1 . . . A 21 LEU CD2 . 19007 1 174 . 1 1 21 21 LEU N N 15 123.210 0.400 . 1 . . . A 21 LEU N . 19007 1 175 . 1 1 22 22 THR H H 1 9.150 0.020 . 1 . . . A 22 THR H . 19007 1 176 . 1 1 22 22 THR HA H 1 5.191 0.020 . 1 . . . A 22 THR HA . 19007 1 177 . 1 1 22 22 THR HB H 1 3.925 0.020 . 1 . . . A 22 THR HB . 19007 1 178 . 1 1 22 22 THR HG21 H 1 0.817 0.020 . 1 . . . A 22 THR HG21 . 19007 1 179 . 1 1 22 22 THR HG22 H 1 0.817 0.020 . 1 . . . A 22 THR HG22 . 19007 1 180 . 1 1 22 22 THR HG23 H 1 0.817 0.020 . 1 . . . A 22 THR HG23 . 19007 1 181 . 1 1 22 22 THR C C 13 172.852 0.400 . 1 . . . A 22 THR C . 19007 1 182 . 1 1 22 22 THR CA C 13 61.850 0.400 . 1 . . . A 22 THR CA . 19007 1 183 . 1 1 22 22 THR CB C 13 69.800 0.400 . 1 . . . A 22 THR CB . 19007 1 184 . 1 1 22 22 THR CG2 C 13 22.199 0.400 . 1 . . . A 22 THR CG2 . 19007 1 185 . 1 1 22 22 THR N N 15 120.430 0.400 . 1 . . . A 22 THR N . 19007 1 186 . 1 1 23 23 LEU H H 1 8.870 0.020 . 1 . . . A 23 LEU H . 19007 1 187 . 1 1 23 23 LEU HA H 1 4.910 0.020 . 1 . . . A 23 LEU HA . 19007 1 188 . 1 1 23 23 LEU HB3 H 1 1.472 0.020 . 2 . . . A 23 LEU HB3 . 19007 1 189 . 1 1 23 23 LEU HG H 1 1.276 0.020 . 1 . . . A 23 LEU HG . 19007 1 190 . 1 1 23 23 LEU HD11 H 1 0.835 0.020 . 1 . . . A 23 LEU HD11 . 19007 1 191 . 1 1 23 23 LEU HD12 H 1 0.835 0.020 . 1 . . . A 23 LEU HD12 . 19007 1 192 . 1 1 23 23 LEU HD13 H 1 0.835 0.020 . 1 . . . A 23 LEU HD13 . 19007 1 193 . 1 1 23 23 LEU HD21 H 1 0.693 0.020 . 1 . . . A 23 LEU HD21 . 19007 1 194 . 1 1 23 23 LEU HD22 H 1 0.693 0.020 . 1 . . . A 23 LEU HD22 . 19007 1 195 . 1 1 23 23 LEU HD23 H 1 0.693 0.020 . 1 . . . A 23 LEU HD23 . 19007 1 196 . 1 1 23 23 LEU C C 13 174.200 0.400 . 1 . . . A 23 LEU C . 19007 1 197 . 1 1 23 23 LEU CA C 13 52.770 0.400 . 1 . . . A 23 LEU CA . 19007 1 198 . 1 1 23 23 LEU CB C 13 44.220 0.400 . 1 . . . A 23 LEU CB . 19007 1 199 . 1 1 23 23 LEU CG C 13 26.656 0.400 . 1 . . . A 23 LEU CG . 19007 1 200 . 1 1 23 23 LEU CD1 C 13 24.413 0.400 . 1 . . . A 23 LEU CD1 . 19007 1 201 . 1 1 23 23 LEU CD2 C 13 24.413 0.400 . 1 . . . A 23 LEU CD2 . 19007 1 202 . 1 1 23 23 LEU N N 15 127.110 0.400 . 1 . . . A 23 LEU N . 19007 1 203 . 1 1 24 24 HIS H H 1 9.160 0.020 . 1 . . . A 24 HIS H . 19007 1 204 . 1 1 24 24 HIS HA H 1 4.875 0.020 . 1 . . . A 24 HIS HA . 19007 1 205 . 1 1 24 24 HIS HB3 H 1 3.034 0.020 . 2 . . . A 24 HIS HB3 . 19007 1 206 . 1 1 24 24 HIS HD2 H 1 8.635 0.020 . 1 . . . A 24 HIS HD2 . 19007 1 207 . 1 1 24 24 HIS HE1 H 1 6.613 0.020 . 1 . . . A 24 HIS HE1 . 19007 1 208 . 1 1 24 24 HIS C C 13 174.033 0.400 . 1 . . . A 24 HIS C . 19007 1 209 . 1 1 24 24 HIS CA C 13 56.000 0.400 . 1 . . . A 24 HIS CA . 19007 1 210 . 1 1 24 24 HIS CB C 13 30.400 0.400 . 1 . . . A 24 HIS CB . 19007 1 211 . 1 1 24 24 HIS CD2 C 13 120.433 0.400 . 1 . . . A 24 HIS CD2 . 19007 1 212 . 1 1 24 24 HIS N N 15 124.600 0.400 . 1 . . . A 24 HIS N . 19007 1 213 . 1 1 25 25 LEU H H 1 8.420 0.020 . 1 . . . A 25 LEU H . 19007 1 214 . 1 1 25 25 LEU HA H 1 4.382 0.020 . 1 . . . A 25 LEU HA . 19007 1 215 . 1 1 25 25 LEU HB3 H 1 1.752 0.020 . 2 . . . A 25 LEU HB3 . 19007 1 216 . 1 1 25 25 LEU HD11 H 1 0.686 0.020 . 1 . . . A 25 LEU HD11 . 19007 1 217 . 1 1 25 25 LEU HD12 H 1 0.686 0.020 . 1 . . . A 25 LEU HD12 . 19007 1 218 . 1 1 25 25 LEU HD13 H 1 0.686 0.020 . 1 . . . A 25 LEU HD13 . 19007 1 219 . 1 1 25 25 LEU HD21 H 1 0.487 0.020 . 1 . . . A 25 LEU HD21 . 19007 1 220 . 1 1 25 25 LEU HD22 H 1 0.487 0.020 . 1 . . . A 25 LEU HD22 . 19007 1 221 . 1 1 25 25 LEU HD23 H 1 0.487 0.020 . 1 . . . A 25 LEU HD23 . 19007 1 222 . 1 1 25 25 LEU C C 13 175.806 0.400 . 1 . . . A 25 LEU C . 19007 1 223 . 1 1 25 25 LEU CA C 13 53.250 0.400 . 1 . . . A 25 LEU CA . 19007 1 224 . 1 1 25 25 LEU CB C 13 41.030 0.400 . 1 . . . A 25 LEU CB . 19007 1 225 . 1 1 25 25 LEU CG C 13 26.438 0.400 . 1 . . . A 25 LEU CG . 19007 1 226 . 1 1 25 25 LEU N N 15 125.950 0.400 . 1 . . . A 25 LEU N . 19007 1 227 . 1 1 26 26 ASP H H 1 8.630 0.020 . 1 . . . A 26 ASP H . 19007 1 228 . 1 1 26 26 ASP HA H 1 4.344 0.020 . 1 . . . A 26 ASP HA . 19007 1 229 . 1 1 26 26 ASP HB2 H 1 2.618 0.020 . 2 . . . A 26 ASP HB2 . 19007 1 230 . 1 1 26 26 ASP HB3 H 1 2.666 0.020 . 2 . . . A 26 ASP HB3 . 19007 1 231 . 1 1 26 26 ASP C C 13 176.302 0.400 . 1 . . . A 26 ASP C . 19007 1 232 . 1 1 26 26 ASP CA C 13 56.480 0.400 . 1 . . . A 26 ASP CA . 19007 1 233 . 1 1 26 26 ASP CB C 13 43.880 0.400 . 1 . . . A 26 ASP CB . 19007 1 234 . 1 1 26 26 ASP N N 15 126.170 0.400 . 1 . . . A 26 ASP N . 19007 1 235 . 1 1 27 27 ASP H H 1 8.150 0.020 . 1 . . . A 27 ASP H . 19007 1 236 . 1 1 27 27 ASP HA H 1 4.540 0.020 . 1 . . . A 27 ASP HA . 19007 1 237 . 1 1 27 27 ASP HB3 H 1 2.638 0.020 . 2 . . . A 27 ASP HB3 . 19007 1 238 . 1 1 27 27 ASP C C 13 176.381 0.400 . 1 . . . A 27 ASP C . 19007 1 239 . 1 1 27 27 ASP CA C 13 54.060 0.400 . 1 . . . A 27 ASP CA . 19007 1 240 . 1 1 27 27 ASP CB C 13 40.820 0.400 . 1 . . . A 27 ASP CB . 19007 1 241 . 1 1 27 27 ASP N N 15 122.430 0.400 . 1 . . . A 27 ASP N . 19007 1 242 . 1 1 28 28 ALA H H 1 8.480 0.020 . 1 . . . A 28 ALA H . 19007 1 243 . 1 1 28 28 ALA HA H 1 4.600 0.020 . 1 . . . A 28 ALA HA . 19007 1 244 . 1 1 28 28 ALA HB1 H 1 1.521 0.020 . 1 . . . A 28 ALA HB1 . 19007 1 245 . 1 1 28 28 ALA HB2 H 1 1.521 0.020 . 1 . . . A 28 ALA HB2 . 19007 1 246 . 1 1 28 28 ALA HB3 H 1 1.521 0.020 . 1 . . . A 28 ALA HB3 . 19007 1 247 . 1 1 28 28 ALA C C 13 178.324 0.400 . 1 . . . A 28 ALA C . 19007 1 248 . 1 1 28 28 ALA CA C 13 52.860 0.400 . 1 . . . A 28 ALA CA . 19007 1 249 . 1 1 28 28 ALA CB C 13 20.790 0.400 . 1 . . . A 28 ALA CB . 19007 1 250 . 1 1 28 28 ALA N N 15 123.520 0.400 . 1 . . . A 28 ALA N . 19007 1 251 . 1 1 29 29 CYS H H 1 7.510 0.020 . 1 . . . A 29 CYS H . 19007 1 252 . 1 1 29 29 CYS HA H 1 4.680 0.020 . 1 . . . A 29 CYS HA . 19007 1 253 . 1 1 29 29 CYS HB3 H 1 2.959 0.020 . 2 . . . A 29 CYS HB3 . 19007 1 254 . 1 1 29 29 CYS C C 13 174.696 0.400 . 1 . . . A 29 CYS C . 19007 1 255 . 1 1 29 29 CYS CA C 13 56.060 0.400 . 1 . . . A 29 CYS CA . 19007 1 256 . 1 1 29 29 CYS CB C 13 29.050 0.400 . 1 . . . A 29 CYS CB . 19007 1 257 . 1 1 29 29 CYS N N 15 115.580 0.400 . 1 . . . A 29 CYS N . 19007 1 258 . 1 1 30 30 SER H H 1 9.170 0.020 . 1 . . . A 30 SER H . 19007 1 259 . 1 1 30 30 SER HA H 1 4.500 0.020 . 1 . . . A 30 SER HA . 19007 1 260 . 1 1 30 30 SER HB2 H 1 3.647 0.020 . 2 . . . A 30 SER HB2 . 19007 1 261 . 1 1 30 30 SER HB3 H 1 3.673 0.020 . 2 . . . A 30 SER HB3 . 19007 1 262 . 1 1 30 30 SER CA C 13 58.370 0.400 . 1 . . . A 30 SER CA . 19007 1 263 . 1 1 30 30 SER CB C 13 64.170 0.400 . 1 . . . A 30 SER CB . 19007 1 264 . 1 1 30 30 SER N N 15 119.090 0.400 . 1 . . . A 30 SER N . 19007 1 265 . 1 1 31 31 PHE HA H 1 4.041 0.020 . 1 . . . A 31 PHE HA . 19007 1 266 . 1 1 31 31 PHE HB2 H 1 3.020 0.020 . 2 . . . A 31 PHE HB2 . 19007 1 267 . 1 1 31 31 PHE HB3 H 1 3.193 0.020 . 2 . . . A 31 PHE HB3 . 19007 1 268 . 1 1 31 31 PHE C C 13 176.440 0.400 . 1 . . . A 31 PHE C . 19007 1 269 . 1 1 31 31 PHE CA C 13 62.491 0.400 . 1 . . . A 31 PHE CA . 19007 1 270 . 1 1 31 31 PHE CB C 13 39.018 0.400 . 1 . . . A 31 PHE CB . 19007 1 271 . 1 1 32 32 ASP H H 1 8.370 0.020 . 1 . . . A 32 ASP H . 19007 1 272 . 1 1 32 32 ASP HA H 1 4.139 0.020 . 1 . . . A 32 ASP HA . 19007 1 273 . 1 1 32 32 ASP HB2 H 1 2.484 0.020 . 2 . . . A 32 ASP HB2 . 19007 1 274 . 1 1 32 32 ASP HB3 H 1 2.650 0.020 . 2 . . . A 32 ASP HB3 . 19007 1 275 . 1 1 32 32 ASP C C 13 178.978 0.400 . 1 . . . A 32 ASP C . 19007 1 276 . 1 1 32 32 ASP CA C 13 57.670 0.400 . 1 . . . A 32 ASP CA . 19007 1 277 . 1 1 32 32 ASP CB C 13 40.290 0.400 . 1 . . . A 32 ASP CB . 19007 1 278 . 1 1 32 32 ASP N N 15 116.020 0.400 . 1 . . . A 32 ASP N . 19007 1 279 . 1 1 33 33 GLU H H 1 7.560 0.020 . 1 . . . A 33 GLU H . 19007 1 280 . 1 1 33 33 GLU HA H 1 4.149 0.020 . 1 . . . A 33 GLU HA . 19007 1 281 . 1 1 33 33 GLU HB3 H 1 1.980 0.020 . 2 . . . A 33 GLU HB3 . 19007 1 282 . 1 1 33 33 GLU HG3 H 1 2.245 0.020 . 2 . . . A 33 GLU HG3 . 19007 1 283 . 1 1 33 33 GLU C C 13 179.256 0.400 . 1 . . . A 33 GLU C . 19007 1 284 . 1 1 33 33 GLU CA C 13 58.810 0.400 . 1 . . . A 33 GLU CA . 19007 1 285 . 1 1 33 33 GLU CB C 13 29.510 0.400 . 1 . . . A 33 GLU CB . 19007 1 286 . 1 1 33 33 GLU CG C 13 36.557 0.400 . 1 . . . A 33 GLU CG . 19007 1 287 . 1 1 33 33 GLU N N 15 120.170 0.400 . 1 . . . A 33 GLU N . 19007 1 288 . 1 1 34 34 LEU H H 1 7.730 0.020 . 1 . . . A 34 LEU H . 19007 1 289 . 1 1 34 34 LEU HA H 1 3.755 0.020 . 1 . . . A 34 LEU HA . 19007 1 290 . 1 1 34 34 LEU HB3 H 1 1.534 0.020 . 2 . . . A 34 LEU HB3 . 19007 1 291 . 1 1 34 34 LEU HG H 1 1.334 0.020 . 1 . . . A 34 LEU HG . 19007 1 292 . 1 1 34 34 LEU HD11 H 1 0.910 0.020 . 1 . . . A 34 LEU HD11 . 19007 1 293 . 1 1 34 34 LEU HD12 H 1 0.910 0.020 . 1 . . . A 34 LEU HD12 . 19007 1 294 . 1 1 34 34 LEU HD13 H 1 0.910 0.020 . 1 . . . A 34 LEU HD13 . 19007 1 295 . 1 1 34 34 LEU HD21 H 1 0.811 0.020 . 1 . . . A 34 LEU HD21 . 19007 1 296 . 1 1 34 34 LEU HD22 H 1 0.811 0.020 . 1 . . . A 34 LEU HD22 . 19007 1 297 . 1 1 34 34 LEU HD23 H 1 0.811 0.020 . 1 . . . A 34 LEU HD23 . 19007 1 298 . 1 1 34 34 LEU C C 13 178.205 0.400 . 1 . . . A 34 LEU C . 19007 1 299 . 1 1 34 34 LEU CA C 13 57.910 0.400 . 1 . . . A 34 LEU CA . 19007 1 300 . 1 1 34 34 LEU CB C 13 41.980 0.400 . 1 . . . A 34 LEU CB . 19007 1 301 . 1 1 34 34 LEU CG C 13 24.666 0.400 . 1 . . . A 34 LEU CG . 19007 1 302 . 1 1 34 34 LEU N N 15 121.930 0.400 . 1 . . . A 34 LEU N . 19007 1 303 . 1 1 35 35 LEU H H 1 7.880 0.020 . 1 . . . A 35 LEU H . 19007 1 304 . 1 1 35 35 LEU HA H 1 3.575 0.020 . 1 . . . A 35 LEU HA . 19007 1 305 . 1 1 35 35 LEU HB3 H 1 1.561 0.020 . 2 . . . A 35 LEU HB3 . 19007 1 306 . 1 1 35 35 LEU HG H 1 1.286 0.020 . 1 . . . A 35 LEU HG . 19007 1 307 . 1 1 35 35 LEU HD11 H 1 0.683 0.020 . 1 . . . A 35 LEU HD11 . 19007 1 308 . 1 1 35 35 LEU HD12 H 1 0.683 0.020 . 1 . . . A 35 LEU HD12 . 19007 1 309 . 1 1 35 35 LEU HD13 H 1 0.683 0.020 . 1 . . . A 35 LEU HD13 . 19007 1 310 . 1 1 35 35 LEU C C 13 179.295 0.400 . 1 . . . A 35 LEU C . 19007 1 311 . 1 1 35 35 LEU CA C 13 57.990 0.400 . 1 . . . A 35 LEU CA . 19007 1 312 . 1 1 35 35 LEU CB C 13 40.900 0.400 . 1 . . . A 35 LEU CB . 19007 1 313 . 1 1 35 35 LEU CG C 13 26.143 0.400 . 1 . . . A 35 LEU CG . 19007 1 314 . 1 1 35 35 LEU N N 15 118.190 0.400 . 1 . . . A 35 LEU N . 19007 1 315 . 1 1 36 36 ASP H H 1 7.580 0.020 . 1 . . . A 36 ASP H . 19007 1 316 . 1 1 36 36 ASP HA H 1 4.308 0.020 . 1 . . . A 36 ASP HA . 19007 1 317 . 1 1 36 36 ASP HB2 H 1 2.621 0.020 . 2 . . . A 36 ASP HB2 . 19007 1 318 . 1 1 36 36 ASP HB3 H 1 2.668 0.020 . 2 . . . A 36 ASP HB3 . 19007 1 319 . 1 1 36 36 ASP C C 13 178.819 0.400 . 1 . . . A 36 ASP C . 19007 1 320 . 1 1 36 36 ASP CA C 13 57.570 0.400 . 1 . . . A 36 ASP CA . 19007 1 321 . 1 1 36 36 ASP CB C 13 41.500 0.400 . 1 . . . A 36 ASP CB . 19007 1 322 . 1 1 36 36 ASP N N 15 118.760 0.400 . 1 . . . A 36 ASP N . 19007 1 323 . 1 1 37 37 GLY H H 1 8.210 0.020 . 1 . . . A 37 GLY H . 19007 1 324 . 1 1 37 37 GLY HA2 H 1 3.935 0.020 . 2 . . . A 37 GLY HA2 . 19007 1 325 . 1 1 37 37 GLY HA3 H 1 3.683 0.020 . 2 . . . A 37 GLY HA3 . 19007 1 326 . 1 1 37 37 GLY C C 13 176.678 0.400 . 1 . . . A 37 GLY C . 19007 1 327 . 1 1 37 37 GLY CA C 13 47.340 0.400 . 1 . . . A 37 GLY CA . 19007 1 328 . 1 1 37 37 GLY N N 15 107.520 0.400 . 1 . . . A 37 GLY N . 19007 1 329 . 1 1 38 38 LEU H H 1 8.800 0.020 . 1 . . . A 38 LEU H . 19007 1 330 . 1 1 38 38 LEU HA H 1 4.007 0.020 . 1 . . . A 38 LEU HA . 19007 1 331 . 1 1 38 38 LEU HB2 H 1 1.561 0.020 . 2 . . . A 38 LEU HB2 . 19007 1 332 . 1 1 38 38 LEU HB3 H 1 1.604 0.020 . 2 . . . A 38 LEU HB3 . 19007 1 333 . 1 1 38 38 LEU HD11 H 1 0.773 0.020 . 1 . . . A 38 LEU HD11 . 19007 1 334 . 1 1 38 38 LEU HD12 H 1 0.773 0.020 . 1 . . . A 38 LEU HD12 . 19007 1 335 . 1 1 38 38 LEU HD13 H 1 0.773 0.020 . 1 . . . A 38 LEU HD13 . 19007 1 336 . 1 1 38 38 LEU C C 13 177.769 0.400 . 1 . . . A 38 LEU C . 19007 1 337 . 1 1 38 38 LEU CA C 13 57.970 0.400 . 1 . . . A 38 LEU CA . 19007 1 338 . 1 1 38 38 LEU CB C 13 42.250 0.400 . 1 . . . A 38 LEU CB . 19007 1 339 . 1 1 38 38 LEU CG C 13 25.791 0.400 . 1 . . . A 38 LEU CG . 19007 1 340 . 1 1 38 38 LEU N N 15 123.680 0.400 . 1 . . . A 38 LEU N . 19007 1 341 . 1 1 39 39 GLN H H 1 8.460 0.020 . 1 . . . A 39 GLN H . 19007 1 342 . 1 1 39 39 GLN HA H 1 3.887 0.020 . 1 . . . A 39 GLN HA . 19007 1 343 . 1 1 39 39 GLN HG3 H 1 2.393 0.020 . 2 . . . A 39 GLN HG3 . 19007 1 344 . 1 1 39 39 GLN HE21 H 1 7.587 0.020 . 2 . . . A 39 GLN HE21 . 19007 1 345 . 1 1 39 39 GLN HE22 H 1 6.932 0.020 . 2 . . . A 39 GLN HE22 . 19007 1 346 . 1 1 39 39 GLN C C 13 178.443 0.400 . 1 . . . A 39 GLN C . 19007 1 347 . 1 1 39 39 GLN CA C 13 59.450 0.400 . 1 . . . A 39 GLN CA . 19007 1 348 . 1 1 39 39 GLN CB C 13 28.400 0.400 . 1 . . . A 39 GLN CB . 19007 1 349 . 1 1 39 39 GLN CG C 13 34.090 0.400 . 1 . . . A 39 GLN CG . 19007 1 350 . 1 1 39 39 GLN N N 15 118.840 0.400 . 1 . . . A 39 GLN N . 19007 1 351 . 1 1 39 39 GLN NE2 N 15 114.077 0.400 . 1 . . . A 39 GLN NE2 . 19007 1 352 . 1 1 40 40 ASN H H 1 7.810 0.020 . 1 . . . A 40 ASN H . 19007 1 353 . 1 1 40 40 ASN HA H 1 4.488 0.020 . 1 . . . A 40 ASN HA . 19007 1 354 . 1 1 40 40 ASN HB2 H 1 2.821 0.020 . 2 . . . A 40 ASN HB2 . 19007 1 355 . 1 1 40 40 ASN HB3 H 1 2.891 0.020 . 2 . . . A 40 ASN HB3 . 19007 1 356 . 1 1 40 40 ASN HD21 H 1 7.589 0.020 . 2 . . . A 40 ASN HD21 . 19007 1 357 . 1 1 40 40 ASN HD22 H 1 6.923 0.020 . 2 . . . A 40 ASN HD22 . 19007 1 358 . 1 1 40 40 ASN C C 13 177.491 0.400 . 1 . . . A 40 ASN C . 19007 1 359 . 1 1 40 40 ASN CA C 13 56.330 0.400 . 1 . . . A 40 ASN CA . 19007 1 360 . 1 1 40 40 ASN CB C 13 39.230 0.400 . 1 . . . A 40 ASN CB . 19007 1 361 . 1 1 40 40 ASN N N 15 116.110 0.400 . 1 . . . A 40 ASN N . 19007 1 362 . 1 1 40 40 ASN ND2 N 15 114.002 0.400 . 1 . . . A 40 ASN ND2 . 19007 1 363 . 1 1 41 41 MET H H 1 8.060 0.020 . 1 . . . A 41 MET H . 19007 1 364 . 1 1 41 41 MET HA H 1 4.344 0.020 . 1 . . . A 41 MET HA . 19007 1 365 . 1 1 41 41 MET C C 13 177.551 0.400 . 1 . . . A 41 MET C . 19007 1 366 . 1 1 41 41 MET CA C 13 58.140 0.400 . 1 . . . A 41 MET CA . 19007 1 367 . 1 1 41 41 MET CB C 13 32.600 0.400 . 1 . . . A 41 MET CB . 19007 1 368 . 1 1 41 41 MET N N 15 119.840 0.400 . 1 . . . A 41 MET N . 19007 1 369 . 1 1 42 42 LEU H H 1 8.280 0.020 . 1 . . . A 42 LEU H . 19007 1 370 . 1 1 42 42 LEU HA H 1 4.236 0.020 . 1 . . . A 42 LEU HA . 19007 1 371 . 1 1 42 42 LEU HB2 H 1 1.738 0.020 . 2 . . . A 42 LEU HB2 . 19007 1 372 . 1 1 42 42 LEU HB3 H 1 1.792 0.020 . 2 . . . A 42 LEU HB3 . 19007 1 373 . 1 1 42 42 LEU HG H 1 1.365 0.020 . 1 . . . A 42 LEU HG . 19007 1 374 . 1 1 42 42 LEU HD11 H 1 0.688 0.020 . 1 . . . A 42 LEU HD11 . 19007 1 375 . 1 1 42 42 LEU HD12 H 1 0.688 0.020 . 1 . . . A 42 LEU HD12 . 19007 1 376 . 1 1 42 42 LEU HD13 H 1 0.688 0.020 . 1 . . . A 42 LEU HD13 . 19007 1 377 . 1 1 42 42 LEU C C 13 177.055 0.400 . 1 . . . A 42 LEU C . 19007 1 378 . 1 1 42 42 LEU CA C 13 55.850 0.400 . 1 . . . A 42 LEU CA . 19007 1 379 . 1 1 42 42 LEU CB C 13 41.490 0.400 . 1 . . . A 42 LEU CB . 19007 1 380 . 1 1 42 42 LEU CG C 13 26.230 0.400 . 1 . . . A 42 LEU CG . 19007 1 381 . 1 1 42 42 LEU N N 15 116.680 0.400 . 1 . . . A 42 LEU N . 19007 1 382 . 1 1 43 43 SER H H 1 7.650 0.020 . 1 . . . A 43 SER H . 19007 1 383 . 1 1 43 43 SER HA H 1 4.452 0.020 . 1 . . . A 43 SER HA . 19007 1 384 . 1 1 43 43 SER HB3 H 1 4.023 0.020 . 2 . . . A 43 SER HB3 . 19007 1 385 . 1 1 43 43 SER C C 13 174.755 0.400 . 1 . . . A 43 SER C . 19007 1 386 . 1 1 43 43 SER CA C 13 59.340 0.400 . 1 . . . A 43 SER CA . 19007 1 387 . 1 1 43 43 SER CB C 13 63.580 0.400 . 1 . . . A 43 SER CB . 19007 1 388 . 1 1 43 43 SER N N 15 113.420 0.400 . 1 . . . A 43 SER N . 19007 1 389 . 1 1 44 44 ILE H H 1 7.590 0.020 . 1 . . . A 44 ILE H . 19007 1 390 . 1 1 44 44 ILE HA H 1 4.188 0.020 . 1 . . . A 44 ILE HA . 19007 1 391 . 1 1 44 44 ILE HB H 1 2.121 0.020 . 1 . . . A 44 ILE HB . 19007 1 392 . 1 1 44 44 ILE HG12 H 1 1.161 0.020 . 2 . . . A 44 ILE HG12 . 19007 1 393 . 1 1 44 44 ILE HG13 H 1 1.454 0.020 . 2 . . . A 44 ILE HG13 . 19007 1 394 . 1 1 44 44 ILE HG21 H 1 0.927 0.020 . 1 . . . A 44 ILE HG21 . 19007 1 395 . 1 1 44 44 ILE HG22 H 1 0.927 0.020 . 1 . . . A 44 ILE HG22 . 19007 1 396 . 1 1 44 44 ILE HG23 H 1 0.927 0.020 . 1 . . . A 44 ILE HG23 . 19007 1 397 . 1 1 44 44 ILE HD11 H 1 0.818 0.020 . 1 . . . A 44 ILE HD11 . 19007 1 398 . 1 1 44 44 ILE HD12 H 1 0.818 0.020 . 1 . . . A 44 ILE HD12 . 19007 1 399 . 1 1 44 44 ILE HD13 H 1 0.818 0.020 . 1 . . . A 44 ILE HD13 . 19007 1 400 . 1 1 44 44 ILE C C 13 176.440 0.400 . 1 . . . A 44 ILE C . 19007 1 401 . 1 1 44 44 ILE CA C 13 61.500 0.400 . 1 . . . A 44 ILE CA . 19007 1 402 . 1 1 44 44 ILE CB C 13 38.640 0.400 . 1 . . . A 44 ILE CB . 19007 1 403 . 1 1 44 44 ILE CG1 C 13 27.339 0.400 . 1 . . . A 44 ILE CG1 . 19007 1 404 . 1 1 44 44 ILE CG2 C 13 17.941 0.400 . 1 . . . A 44 ILE CG2 . 19007 1 405 . 1 1 44 44 ILE CD1 C 13 13.440 0.400 . 1 . . . A 44 ILE CD1 . 19007 1 406 . 1 1 44 44 ILE N N 15 120.390 0.400 . 1 . . . A 44 ILE N . 19007 1 407 . 1 1 45 45 GLU H H 1 8.200 0.020 . 1 . . . A 45 GLU H . 19007 1 408 . 1 1 45 45 GLU HA H 1 4.272 0.020 . 1 . . . A 45 GLU HA . 19007 1 409 . 1 1 45 45 GLU C C 13 176.698 0.400 . 1 . . . A 45 GLU C . 19007 1 410 . 1 1 45 45 GLU CA C 13 61.950 0.400 . 1 . . . A 45 GLU CA . 19007 1 411 . 1 1 45 45 GLU CB C 13 29.840 0.400 . 1 . . . A 45 GLU CB . 19007 1 412 . 1 1 45 45 GLU N N 15 118.850 0.400 . 1 . . . A 45 GLU N . 19007 1 413 . 1 1 46 46 GLN H H 1 8.270 0.020 . 1 . . . A 46 GLN H . 19007 1 414 . 1 1 46 46 GLN HA H 1 4.212 0.020 . 1 . . . A 46 GLN HA . 19007 1 415 . 1 1 46 46 GLN HB2 H 1 2.046 0.020 . 2 . . . A 46 GLN HB2 . 19007 1 416 . 1 1 46 46 GLN HB3 H 1 1.974 0.020 . 2 . . . A 46 GLN HB3 . 19007 1 417 . 1 1 46 46 GLN HG2 H 1 2.207 0.020 . 2 . . . A 46 GLN HG2 . 19007 1 418 . 1 1 46 46 GLN HG3 H 1 2.337 0.020 . 2 . . . A 46 GLN HG3 . 19007 1 419 . 1 1 46 46 GLN HE21 H 1 7.581 0.020 . 2 . . . A 46 GLN HE21 . 19007 1 420 . 1 1 46 46 GLN HE22 H 1 6.874 0.020 . 2 . . . A 46 GLN HE22 . 19007 1 421 . 1 1 46 46 GLN C C 13 176.361 0.400 . 1 . . . A 46 GLN C . 19007 1 422 . 1 1 46 46 GLN CA C 13 56.770 0.400 . 1 . . . A 46 GLN CA . 19007 1 423 . 1 1 46 46 GLN CB C 13 28.920 0.400 . 1 . . . A 46 GLN CB . 19007 1 424 . 1 1 46 46 GLN CG C 13 33.662 0.400 . 1 . . . A 46 GLN CG . 19007 1 425 . 1 1 46 46 GLN N N 15 118.260 0.400 . 1 . . . A 46 GLN N . 19007 1 426 . 1 1 46 46 GLN NE2 N 15 112.701 0.400 . 1 . . . A 46 GLN NE2 . 19007 1 427 . 1 1 47 47 TYR H H 1 7.980 0.020 . 1 . . . A 47 TYR H . 19007 1 428 . 1 1 47 47 TYR HA H 1 4.701 0.020 . 1 . . . A 47 TYR HA . 19007 1 429 . 1 1 47 47 TYR HB2 H 1 3.070 0.020 . 2 . . . A 47 TYR HB2 . 19007 1 430 . 1 1 47 47 TYR HB3 H 1 3.380 0.020 . 2 . . . A 47 TYR HB3 . 19007 1 431 . 1 1 47 47 TYR HD2 H 1 7.618 0.020 . 1 . . . A 47 TYR HD2 . 19007 1 432 . 1 1 47 47 TYR HE2 H 1 7.015 0.020 . 1 . . . A 47 TYR HE2 . 19007 1 433 . 1 1 47 47 TYR C C 13 175.588 0.400 . 1 . . . A 47 TYR C . 19007 1 434 . 1 1 47 47 TYR CA C 13 58.290 0.400 . 1 . . . A 47 TYR CA . 19007 1 435 . 1 1 47 47 TYR CB C 13 39.250 0.400 . 1 . . . A 47 TYR CB . 19007 1 436 . 1 1 47 47 TYR CD2 C 13 137.024 0.400 . 1 . . . A 47 TYR CD2 . 19007 1 437 . 1 1 47 47 TYR CE2 C 13 118.277 0.400 . 1 . . . A 47 TYR CE2 . 19007 1 438 . 1 1 47 47 TYR N N 15 117.690 0.400 . 1 . . . A 47 TYR N . 19007 1 439 . 1 1 48 48 THR H H 1 7.570 0.020 . 1 . . . A 48 THR H . 19007 1 440 . 1 1 48 48 THR HA H 1 4.464 0.020 . 1 . . . A 48 THR HA . 19007 1 441 . 1 1 48 48 THR HB H 1 4.354 0.020 . 1 . . . A 48 THR HB . 19007 1 442 . 1 1 48 48 THR HG21 H 1 1.190 0.020 . 1 . . . A 48 THR HG21 . 19007 1 443 . 1 1 48 48 THR HG22 H 1 1.190 0.020 . 1 . . . A 48 THR HG22 . 19007 1 444 . 1 1 48 48 THR HG23 H 1 1.190 0.020 . 1 . . . A 48 THR HG23 . 19007 1 445 . 1 1 48 48 THR C C 13 176.381 0.400 . 1 . . . A 48 THR C . 19007 1 446 . 1 1 48 48 THR CA C 13 61.150 0.400 . 1 . . . A 48 THR CA . 19007 1 447 . 1 1 48 48 THR CB C 13 70.190 0.400 . 1 . . . A 48 THR CB . 19007 1 448 . 1 1 48 48 THR CG2 C 13 21.351 0.400 . 1 . . . A 48 THR CG2 . 19007 1 449 . 1 1 48 48 THR N N 15 108.930 0.400 . 1 . . . A 48 THR N . 19007 1 450 . 1 1 49 49 ASP H H 1 8.100 0.020 . 1 . . . A 49 ASP H . 19007 1 451 . 1 1 49 49 ASP HA H 1 4.752 0.020 . 1 . . . A 49 ASP HA . 19007 1 452 . 1 1 49 49 ASP HB3 H 1 2.755 0.020 . 2 . . . A 49 ASP HB3 . 19007 1 453 . 1 1 49 49 ASP C C 13 177.015 0.400 . 1 . . . A 49 ASP C . 19007 1 454 . 1 1 49 49 ASP CA C 13 53.710 0.400 . 1 . . . A 49 ASP CA . 19007 1 455 . 1 1 49 49 ASP CB C 13 41.200 0.400 . 1 . . . A 49 ASP CB . 19007 1 456 . 1 1 49 49 ASP N N 15 121.350 0.400 . 1 . . . A 49 ASP N . 19007 1 457 . 1 1 50 50 GLY H H 1 9.080 0.020 . 1 . . . A 50 GLY H . 19007 1 458 . 1 1 50 50 GLY HA3 H 1 4.776 0.020 . 2 . . . A 50 GLY HA3 . 19007 1 459 . 1 1 50 50 GLY C C 13 175.449 0.400 . 1 . . . A 50 GLY C . 19007 1 460 . 1 1 50 50 GLY CA C 13 46.000 0.400 . 1 . . . A 50 GLY CA . 19007 1 461 . 1 1 50 50 GLY N N 15 112.360 0.400 . 1 . . . A 50 GLY N . 19007 1 462 . 1 1 51 51 LYS H H 1 8.590 0.020 . 1 . . . A 51 LYS H . 19007 1 463 . 1 1 51 51 LYS HA H 1 4.200 0.020 . 1 . . . A 51 LYS HA . 19007 1 464 . 1 1 51 51 LYS HB3 H 1 1.893 0.020 . 2 . . . A 51 LYS HB3 . 19007 1 465 . 1 1 51 51 LYS HG3 H 1 1.401 0.020 . 2 . . . A 51 LYS HG3 . 19007 1 466 . 1 1 51 51 LYS HD3 H 1 1.654 0.020 . 2 . . . A 51 LYS HD3 . 19007 1 467 . 1 1 51 51 LYS HE3 H 1 2.939 0.020 . 2 . . . A 51 LYS HE3 . 19007 1 468 . 1 1 51 51 LYS C C 13 177.214 0.400 . 1 . . . A 51 LYS C . 19007 1 469 . 1 1 51 51 LYS CA C 13 56.540 0.400 . 1 . . . A 51 LYS CA . 19007 1 470 . 1 1 51 51 LYS CB C 13 31.420 0.400 . 1 . . . A 51 LYS CB . 19007 1 471 . 1 1 51 51 LYS CG C 13 24.845 0.400 . 1 . . . A 51 LYS CG . 19007 1 472 . 1 1 51 51 LYS CD C 13 29.134 0.400 . 1 . . . A 51 LYS CD . 19007 1 473 . 1 1 51 51 LYS CE C 13 41.922 0.400 . 1 . . . A 51 LYS CE . 19007 1 474 . 1 1 51 51 LYS N N 15 119.510 0.400 . 1 . . . A 51 LYS N . 19007 1 475 . 1 1 52 52 GLY H H 1 8.670 0.020 . 1 . . . A 52 GLY H . 19007 1 476 . 1 1 52 52 GLY HA2 H 1 3.743 0.020 . 2 . . . A 52 GLY HA2 . 19007 1 477 . 1 1 52 52 GLY HA3 H 1 4.163 0.020 . 2 . . . A 52 GLY HA3 . 19007 1 478 . 1 1 52 52 GLY C C 13 174.279 0.400 . 1 . . . A 52 GLY C . 19007 1 479 . 1 1 52 52 GLY CA C 13 45.450 0.400 . 1 . . . A 52 GLY CA . 19007 1 480 . 1 1 52 52 GLY N N 15 108.180 0.400 . 1 . . . A 52 GLY N . 19007 1 481 . 1 1 53 53 GLN H H 1 7.860 0.020 . 1 . . . A 53 GLN H . 19007 1 482 . 1 1 53 53 GLN HA H 1 4.440 0.020 . 1 . . . A 53 GLN HA . 19007 1 483 . 1 1 53 53 GLN HB3 H 1 1.989 0.020 . 2 . . . A 53 GLN HB3 . 19007 1 484 . 1 1 53 53 GLN HG3 H 1 2.326 0.020 . 2 . . . A 53 GLN HG3 . 19007 1 485 . 1 1 53 53 GLN HE21 H 1 7.560 0.020 . 2 . . . A 53 GLN HE21 . 19007 1 486 . 1 1 53 53 GLN HE22 H 1 6.919 0.020 . 2 . . . A 53 GLN HE22 . 19007 1 487 . 1 1 53 53 GLN C C 13 175.001 0.400 . 1 . . . A 53 GLN C . 19007 1 488 . 1 1 53 53 GLN CA C 13 54.580 0.400 . 1 . . . A 53 GLN CA . 19007 1 489 . 1 1 53 53 GLN CB C 13 30.330 0.400 . 1 . . . A 53 GLN CB . 19007 1 490 . 1 1 53 53 GLN N N 15 120.010 0.400 . 1 . . . A 53 GLN N . 19007 1 491 . 1 1 53 53 GLN NE2 N 15 114.002 0.400 . 1 . . . A 53 GLN NE2 . 19007 1 492 . 1 1 54 54 LYS H H 1 8.250 0.020 . 1 . . . A 54 LYS H . 19007 1 493 . 1 1 54 54 LYS HA H 1 4.704 0.020 . 1 . . . A 54 LYS HA . 19007 1 494 . 1 1 54 54 LYS HB2 H 1 1.730 0.020 . 2 . . . A 54 LYS HB2 . 19007 1 495 . 1 1 54 54 LYS HB3 H 1 1.788 0.020 . 2 . . . A 54 LYS HB3 . 19007 1 496 . 1 1 54 54 LYS HG3 H 1 1.391 0.020 . 2 . . . A 54 LYS HG3 . 19007 1 497 . 1 1 54 54 LYS HD3 H 1 1.659 0.020 . 2 . . . A 54 LYS HD3 . 19007 1 498 . 1 1 54 54 LYS HE3 H 1 2.959 0.020 . 2 . . . A 54 LYS HE3 . 19007 1 499 . 1 1 54 54 LYS C C 13 176.753 0.400 . 1 . . . A 54 LYS C . 19007 1 500 . 1 1 54 54 LYS CA C 13 55.830 0.400 . 1 . . . A 54 LYS CA . 19007 1 501 . 1 1 54 54 LYS CB C 13 33.850 0.400 . 1 . . . A 54 LYS CB . 19007 1 502 . 1 1 54 54 LYS CG C 13 25.322 0.400 . 1 . . . A 54 LYS CG . 19007 1 503 . 1 1 54 54 LYS CD C 13 29.055 0.400 . 1 . . . A 54 LYS CD . 19007 1 504 . 1 1 54 54 LYS CE C 13 40.651 0.400 . 1 . . . A 54 LYS CE . 19007 1 505 . 1 1 54 54 LYS N N 15 120.420 0.400 . 1 . . . A 54 LYS N . 19007 1 506 . 1 1 55 55 ILE H H 1 9.050 0.020 . 1 . . . A 55 ILE H . 19007 1 507 . 1 1 55 55 ILE HA H 1 4.169 0.020 . 1 . . . A 55 ILE HA . 19007 1 508 . 1 1 55 55 ILE HB H 1 1.817 0.020 . 1 . . . A 55 ILE HB . 19007 1 509 . 1 1 55 55 ILE HG12 H 1 1.156 0.020 . 2 . . . A 55 ILE HG12 . 19007 1 510 . 1 1 55 55 ILE HG13 H 1 1.443 0.020 . 2 . . . A 55 ILE HG13 . 19007 1 511 . 1 1 55 55 ILE HG21 H 1 0.863 0.020 . 1 . . . A 55 ILE HG21 . 19007 1 512 . 1 1 55 55 ILE HG22 H 1 0.863 0.020 . 1 . . . A 55 ILE HG22 . 19007 1 513 . 1 1 55 55 ILE HG23 H 1 0.863 0.020 . 1 . . . A 55 ILE HG23 . 19007 1 514 . 1 1 55 55 ILE HD11 H 1 0.817 0.020 . 1 . . . A 55 ILE HD11 . 19007 1 515 . 1 1 55 55 ILE HD12 H 1 0.817 0.020 . 1 . . . A 55 ILE HD12 . 19007 1 516 . 1 1 55 55 ILE HD13 H 1 0.817 0.020 . 1 . . . A 55 ILE HD13 . 19007 1 517 . 1 1 55 55 ILE C C 13 174.405 0.400 . 1 . . . A 55 ILE C . 19007 1 518 . 1 1 55 55 ILE CA C 13 60.350 0.400 . 1 . . . A 55 ILE CA . 19007 1 519 . 1 1 55 55 ILE CB C 13 39.690 0.400 . 1 . . . A 55 ILE CB . 19007 1 520 . 1 1 55 55 ILE CG1 C 13 27.228 0.400 . 1 . . . A 55 ILE CG1 . 19007 1 521 . 1 1 55 55 ILE CG2 C 13 17.538 0.400 . 1 . . . A 55 ILE CG2 . 19007 1 522 . 1 1 55 55 ILE CD1 C 13 12.852 0.400 . 1 . . . A 55 ILE CD1 . 19007 1 523 . 1 1 55 55 ILE N N 15 125.360 0.400 . 1 . . . A 55 ILE N . 19007 1 524 . 1 1 56 56 SER H H 1 8.330 0.020 . 1 . . . A 56 SER H . 19007 1 525 . 1 1 56 56 SER HA H 1 4.480 0.020 . 1 . . . A 56 SER HA . 19007 1 526 . 1 1 56 56 SER HB3 H 1 3.733 0.020 . 2 . . . A 56 SER HB3 . 19007 1 527 . 1 1 56 56 SER C C 13 174.105 0.400 . 1 . . . A 56 SER C . 19007 1 528 . 1 1 56 56 SER CA C 13 57.410 0.400 . 1 . . . A 56 SER CA . 19007 1 529 . 1 1 56 56 SER CB C 13 64.080 0.400 . 1 . . . A 56 SER CB . 19007 1 530 . 1 1 56 56 SER N N 15 121.850 0.400 . 1 . . . A 56 SER N . 19007 1 531 . 1 1 57 57 VAL H H 1 8.680 0.020 . 1 . . . A 57 VAL H . 19007 1 532 . 1 1 57 57 VAL HA H 1 4.861 0.020 . 1 . . . A 57 VAL HA . 19007 1 533 . 1 1 57 57 VAL HB H 1 1.901 0.020 . 1 . . . A 57 VAL HB . 19007 1 534 . 1 1 57 57 VAL HG11 H 1 0.773 0.020 . 1 . . . A 57 VAL HG11 . 19007 1 535 . 1 1 57 57 VAL HG12 H 1 0.773 0.020 . 1 . . . A 57 VAL HG12 . 19007 1 536 . 1 1 57 57 VAL HG13 H 1 0.773 0.020 . 1 . . . A 57 VAL HG13 . 19007 1 537 . 1 1 57 57 VAL HG21 H 1 0.842 0.020 . 1 . . . A 57 VAL HG21 . 19007 1 538 . 1 1 57 57 VAL HG22 H 1 0.842 0.020 . 1 . . . A 57 VAL HG22 . 19007 1 539 . 1 1 57 57 VAL HG23 H 1 0.842 0.020 . 1 . . . A 57 VAL HG23 . 19007 1 540 . 1 1 57 57 VAL C C 13 174.869 0.400 . 1 . . . A 57 VAL C . 19007 1 541 . 1 1 57 57 VAL CA C 13 61.130 0.400 . 1 . . . A 57 VAL CA . 19007 1 542 . 1 1 57 57 VAL CB C 13 33.600 0.400 . 1 . . . A 57 VAL CB . 19007 1 543 . 1 1 57 57 VAL CG2 C 13 22.939 0.400 . 1 . . . A 57 VAL CG2 . 19007 1 544 . 1 1 57 57 VAL N N 15 123.190 0.400 . 1 . . . A 57 VAL N . 19007 1 545 . 1 1 58 58 HIS H H 1 9.050 0.020 . 1 . . . A 58 HIS H . 19007 1 546 . 1 1 58 58 HIS HA H 1 5.076 0.020 . 1 . . . A 58 HIS HA . 19007 1 547 . 1 1 58 58 HIS HB3 H 1 3.071 0.020 . 2 . . . A 58 HIS HB3 . 19007 1 548 . 1 1 58 58 HIS HD2 H 1 8.779 0.020 . 1 . . . A 58 HIS HD2 . 19007 1 549 . 1 1 58 58 HIS HE1 H 1 6.712 0.020 . 1 . . . A 58 HIS HE1 . 19007 1 550 . 1 1 58 58 HIS C C 13 174.351 0.400 . 1 . . . A 58 HIS C . 19007 1 551 . 1 1 58 58 HIS CA C 13 54.420 0.400 . 1 . . . A 58 HIS CA . 19007 1 552 . 1 1 58 58 HIS CB C 13 31.720 0.400 . 1 . . . A 58 HIS CB . 19007 1 553 . 1 1 58 58 HIS CD2 C 13 117.996 0.400 . 1 . . . A 58 HIS CD2 . 19007 1 554 . 1 1 58 58 HIS N N 15 129.590 0.400 . 1 . . . A 58 HIS N . 19007 1 555 . 1 1 59 59 VAL H H 1 8.800 0.020 . 1 . . . A 59 VAL H . 19007 1 556 . 1 1 59 59 VAL HA H 1 4.408 0.020 . 1 . . . A 59 VAL HA . 19007 1 557 . 1 1 59 59 VAL HB H 1 2.211 0.020 . 1 . . . A 59 VAL HB . 19007 1 558 . 1 1 59 59 VAL HG21 H 1 0.847 0.020 . 1 . . . A 59 VAL HG21 . 19007 1 559 . 1 1 59 59 VAL HG22 H 1 0.847 0.020 . 1 . . . A 59 VAL HG22 . 19007 1 560 . 1 1 59 59 VAL HG23 H 1 0.847 0.020 . 1 . . . A 59 VAL HG23 . 19007 1 561 . 1 1 59 59 VAL C C 13 174.460 0.400 . 1 . . . A 59 VAL C . 19007 1 562 . 1 1 59 59 VAL CA C 13 62.370 0.400 . 1 . . . A 59 VAL CA . 19007 1 563 . 1 1 59 59 VAL CB C 13 32.760 0.400 . 1 . . . A 59 VAL CB . 19007 1 564 . 1 1 59 59 VAL CG2 C 13 22.463 0.400 . 1 . . . A 59 VAL CG2 . 19007 1 565 . 1 1 59 59 VAL N N 15 125.260 0.400 . 1 . . . A 59 VAL N . 19007 1 566 . 1 1 60 60 LYS H H 1 9.040 0.020 . 1 . . . A 60 LYS H . 19007 1 567 . 1 1 60 60 LYS HA H 1 4.909 0.020 . 1 . . . A 60 LYS HA . 19007 1 568 . 1 1 60 60 LYS HB3 H 1 1.554 0.020 . 2 . . . A 60 LYS HB3 . 19007 1 569 . 1 1 60 60 LYS HG3 H 1 1.358 0.020 . 2 . . . A 60 LYS HG3 . 19007 1 570 . 1 1 60 60 LYS HD3 H 1 1.656 0.020 . 2 . . . A 60 LYS HD3 . 19007 1 571 . 1 1 60 60 LYS HE2 H 1 2.722 0.020 . 2 . . . A 60 LYS HE2 . 19007 1 572 . 1 1 60 60 LYS HE3 H 1 2.630 0.020 . 2 . . . A 60 LYS HE3 . 19007 1 573 . 1 1 60 60 LYS C C 13 175.825 0.400 . 1 . . . A 60 LYS C . 19007 1 574 . 1 1 60 60 LYS CA C 13 54.450 0.400 . 1 . . . A 60 LYS CA . 19007 1 575 . 1 1 60 60 LYS CB C 13 32.490 0.400 . 1 . . . A 60 LYS CB . 19007 1 576 . 1 1 60 60 LYS CG C 13 24.448 0.400 . 1 . . . A 60 LYS CG . 19007 1 577 . 1 1 60 60 LYS CD C 13 28.578 0.400 . 1 . . . A 60 LYS CD . 19007 1 578 . 1 1 60 60 LYS CE C 13 41.445 0.400 . 1 . . . A 60 LYS CE . 19007 1 579 . 1 1 60 60 LYS N N 15 128.520 0.400 . 1 . . . A 60 LYS N . 19007 1 580 . 1 1 61 61 LEU H H 1 8.700 0.020 . 1 . . . A 61 LEU H . 19007 1 581 . 1 1 61 61 LEU HA H 1 4.527 0.020 . 1 . . . A 61 LEU HA . 19007 1 582 . 1 1 61 61 LEU HB3 H 1 1.702 0.020 . 2 . . . A 61 LEU HB3 . 19007 1 583 . 1 1 61 61 LEU HG H 1 1.485 0.020 . 1 . . . A 61 LEU HG . 19007 1 584 . 1 1 61 61 LEU HD11 H 1 0.737 0.020 . 1 . . . A 61 LEU HD11 . 19007 1 585 . 1 1 61 61 LEU HD12 H 1 0.737 0.020 . 1 . . . A 61 LEU HD12 . 19007 1 586 . 1 1 61 61 LEU HD13 H 1 0.737 0.020 . 1 . . . A 61 LEU HD13 . 19007 1 587 . 1 1 61 61 LEU C C 13 178.910 0.400 . 1 . . . A 61 LEU C . 19007 1 588 . 1 1 61 61 LEU CA C 13 54.410 0.400 . 1 . . . A 61 LEU CA . 19007 1 589 . 1 1 61 61 LEU CB C 13 44.330 0.400 . 1 . . . A 61 LEU CB . 19007 1 590 . 1 1 61 61 LEU CG C 13 27.069 0.400 . 1 . . . A 61 LEU CG . 19007 1 591 . 1 1 61 61 LEU CD1 C 13 24.210 0.400 . 1 . . . A 61 LEU CD1 . 19007 1 592 . 1 1 61 61 LEU N N 15 121.430 0.400 . 1 . . . A 61 LEU N . 19007 1 593 . 1 1 62 62 GLY H H 1 9.060 0.020 . 1 . . . A 62 GLY H . 19007 1 594 . 1 1 62 62 GLY HA2 H 1 3.702 0.020 . 2 . . . A 62 GLY HA2 . 19007 1 595 . 1 1 62 62 GLY HA3 H 1 4.031 0.020 . 2 . . . A 62 GLY HA3 . 19007 1 596 . 1 1 62 62 GLY C C 13 175.350 0.400 . 1 . . . A 62 GLY C . 19007 1 597 . 1 1 62 62 GLY CA C 13 46.710 0.400 . 1 . . . A 62 GLY CA . 19007 1 598 . 1 1 62 62 GLY N N 15 110.520 0.400 . 1 . . . A 62 GLY N . 19007 1 599 . 1 1 63 63 ASN H H 1 10.390 0.020 . 1 . . . A 63 ASN H . 19007 1 600 . 1 1 63 63 ASN HA H 1 4.778 0.020 . 1 . . . A 63 ASN HA . 19007 1 601 . 1 1 63 63 ASN HB2 H 1 2.600 0.020 . 2 . . . A 63 ASN HB2 . 19007 1 602 . 1 1 63 63 ASN HB3 H 1 2.915 0.020 . 2 . . . A 63 ASN HB3 . 19007 1 603 . 1 1 63 63 ASN HD21 H 1 7.543 0.020 . 2 . . . A 63 ASN HD21 . 19007 1 604 . 1 1 63 63 ASN HD22 H 1 6.884 0.020 . 2 . . . A 63 ASN HD22 . 19007 1 605 . 1 1 63 63 ASN C C 13 174.214 0.400 . 1 . . . A 63 ASN C . 19007 1 606 . 1 1 63 63 ASN CA C 13 52.910 0.400 . 1 . . . A 63 ASN CA . 19007 1 607 . 1 1 63 63 ASN CB C 13 38.100 0.400 . 1 . . . A 63 ASN CB . 19007 1 608 . 1 1 63 63 ASN N N 15 127.090 0.400 . 1 . . . A 63 ASN N . 19007 1 609 . 1 1 63 63 ASN ND2 N 15 112.704 0.400 . 1 . . . A 63 ASN ND2 . 19007 1 610 . 1 1 64 64 ARG H H 1 7.520 0.020 . 1 . . . A 64 ARG H . 19007 1 611 . 1 1 64 64 ARG HA H 1 4.265 0.020 . 1 . . . A 64 ARG HA . 19007 1 612 . 1 1 64 64 ARG HB3 H 1 1.844 0.020 . 2 . . . A 64 ARG HB3 . 19007 1 613 . 1 1 64 64 ARG HG3 H 1 1.566 0.020 . 2 . . . A 64 ARG HG3 . 19007 1 614 . 1 1 64 64 ARG HD3 H 1 3.449 0.020 . 2 . . . A 64 ARG HD3 . 19007 1 615 . 1 1 64 64 ARG HE H 1 8.502 0.020 . 1 . . . A 64 ARG HE . 19007 1 616 . 1 1 64 64 ARG C C 13 174.214 0.400 . 1 . . . A 64 ARG C . 19007 1 617 . 1 1 64 64 ARG CA C 13 56.330 0.400 . 1 . . . A 64 ARG CA . 19007 1 618 . 1 1 64 64 ARG CB C 13 33.860 0.400 . 1 . . . A 64 ARG CB . 19007 1 619 . 1 1 64 64 ARG CG C 13 29.178 0.400 . 1 . . . A 64 ARG CG . 19007 1 620 . 1 1 64 64 ARG CD C 13 41.683 0.400 . 1 . . . A 64 ARG CD . 19007 1 621 . 1 1 64 64 ARG N N 15 121.850 0.400 . 1 . . . A 64 ARG N . 19007 1 622 . 1 1 64 64 ARG NE N 15 102.640 0.400 . 1 . . . A 64 ARG NE . 19007 1 623 . 1 1 65 65 PHE H H 1 8.580 0.020 . 1 . . . A 65 PHE H . 19007 1 624 . 1 1 65 65 PHE HA H 1 4.503 0.020 . 1 . . . A 65 PHE HA . 19007 1 625 . 1 1 65 65 PHE HB3 H 1 2.856 0.020 . 2 . . . A 65 PHE HB3 . 19007 1 626 . 1 1 65 65 PHE HD1 H 1 6.996 0.020 . 1 . . . A 65 PHE HD1 . 19007 1 627 . 1 1 65 65 PHE HE1 H 1 7.509 0.020 . 1 . . . A 65 PHE HE1 . 19007 1 628 . 1 1 65 65 PHE C C 13 176.508 0.400 . 1 . . . A 65 PHE C . 19007 1 629 . 1 1 65 65 PHE CA C 13 56.760 0.400 . 1 . . . A 65 PHE CA . 19007 1 630 . 1 1 65 65 PHE CB C 13 40.430 0.400 . 1 . . . A 65 PHE CB . 19007 1 631 . 1 1 65 65 PHE CD1 C 13 131.213 0.400 . 1 . . . A 65 PHE CD1 . 19007 1 632 . 1 1 65 65 PHE CE1 C 13 144.992 0.400 . 1 . . . A 65 PHE CE1 . 19007 1 633 . 1 1 65 65 PHE N N 15 127.760 0.400 . 1 . . . A 65 PHE N . 19007 1 634 . 1 1 66 66 LEU H H 1 8.040 0.020 . 1 . . . A 66 LEU H . 19007 1 635 . 1 1 66 66 LEU HA H 1 4.288 0.020 . 1 . . . A 66 LEU HA . 19007 1 636 . 1 1 66 66 LEU HB3 H 1 1.414 0.020 . 2 . . . A 66 LEU HB3 . 19007 1 637 . 1 1 66 66 LEU HG H 1 1.375 0.020 . 1 . . . A 66 LEU HG . 19007 1 638 . 1 1 66 66 LEU HD11 H 1 0.680 0.020 . 1 . . . A 66 LEU HD11 . 19007 1 639 . 1 1 66 66 LEU HD12 H 1 0.680 0.020 . 1 . . . A 66 LEU HD12 . 19007 1 640 . 1 1 66 66 LEU HD13 H 1 0.680 0.020 . 1 . . . A 66 LEU HD13 . 19007 1 641 . 1 1 66 66 LEU HD21 H 1 0.493 0.020 . 1 . . . A 66 LEU HD21 . 19007 1 642 . 1 1 66 66 LEU HD22 H 1 0.493 0.020 . 1 . . . A 66 LEU HD22 . 19007 1 643 . 1 1 66 66 LEU HD23 H 1 0.493 0.020 . 1 . . . A 66 LEU HD23 . 19007 1 644 . 1 1 66 66 LEU C C 13 176.508 0.400 . 1 . . . A 66 LEU C . 19007 1 645 . 1 1 66 66 LEU CA C 13 53.080 0.400 . 1 . . . A 66 LEU CA . 19007 1 646 . 1 1 66 66 LEU CB C 13 43.170 0.400 . 1 . . . A 66 LEU CB . 19007 1 647 . 1 1 66 66 LEU CG C 13 26.769 0.400 . 1 . . . A 66 LEU CG . 19007 1 648 . 1 1 66 66 LEU CD1 C 13 23.694 0.400 . 1 . . . A 66 LEU CD1 . 19007 1 649 . 1 1 66 66 LEU N N 15 125.260 0.400 . 1 . . . A 66 LEU N . 19007 1 650 . 1 1 67 67 TYR H H 1 7.880 0.020 . 1 . . . A 67 TYR H . 19007 1 651 . 1 1 67 67 TYR HA H 1 4.515 0.020 . 1 . . . A 67 TYR HA . 19007 1 652 . 1 1 67 67 TYR HB3 H 1 2.617 0.020 . 2 . . . A 67 TYR HB3 . 19007 1 653 . 1 1 67 67 TYR HD1 H 1 7.256 0.020 . 1 . . . A 67 TYR HD1 . 19007 1 654 . 1 1 67 67 TYR HE1 H 1 6.910 0.020 . 1 . . . A 67 TYR HE1 . 19007 1 655 . 1 1 67 67 TYR C C 13 177.791 0.400 . 1 . . . A 67 TYR C . 19007 1 656 . 1 1 67 67 TYR CA C 13 58.120 0.400 . 1 . . . A 67 TYR CA . 19007 1 657 . 1 1 67 67 TYR CB C 13 39.320 0.400 . 1 . . . A 67 TYR CB . 19007 1 658 . 1 1 67 67 TYR CD1 C 13 131.681 0.400 . 1 . . . A 67 TYR CD1 . 19007 1 659 . 1 1 67 67 TYR CE1 C 13 117.527 0.400 . 1 . . . A 67 TYR CE1 . 19007 1 660 . 1 1 67 67 TYR N N 15 120.480 0.400 . 1 . . . A 67 TYR N . 19007 1 661 . 1 1 68 68 LYS H H 1 9.120 0.020 . 1 . . . A 68 LYS H . 19007 1 662 . 1 1 68 68 LYS HA H 1 4.034 0.020 . 1 . . . A 68 LYS HA . 19007 1 663 . 1 1 68 68 LYS HB3 H 1 1.845 0.020 . 2 . . . A 68 LYS HB3 . 19007 1 664 . 1 1 68 68 LYS HG3 H 1 1.447 0.020 . 2 . . . A 68 LYS HG3 . 19007 1 665 . 1 1 68 68 LYS HD3 H 1 1.677 0.020 . 2 . . . A 68 LYS HD3 . 19007 1 666 . 1 1 68 68 LYS HE3 H 1 2.958 0.020 . 2 . . . A 68 LYS HE3 . 19007 1 667 . 1 1 68 68 LYS C C 13 178.364 0.400 . 1 . . . A 68 LYS C . 19007 1 668 . 1 1 68 68 LYS CA C 13 60.130 0.400 . 1 . . . A 68 LYS CA . 19007 1 669 . 1 1 68 68 LYS CB C 13 32.150 0.400 . 1 . . . A 68 LYS CB . 19007 1 670 . 1 1 68 68 LYS CG C 13 24.687 0.400 . 1 . . . A 68 LYS CG . 19007 1 671 . 1 1 68 68 LYS CD C 13 28.817 0.400 . 1 . . . A 68 LYS CD . 19007 1 672 . 1 1 68 68 LYS CE C 13 42.160 0.400 . 1 . . . A 68 LYS CE . 19007 1 673 . 1 1 68 68 LYS N N 15 125.020 0.400 . 1 . . . A 68 LYS N . 19007 1 674 . 1 1 69 69 GLU H H 1 9.460 0.020 . 1 . . . A 69 GLU H . 19007 1 675 . 1 1 69 69 GLU HA H 1 4.133 0.020 . 1 . . . A 69 GLU HA . 19007 1 676 . 1 1 69 69 GLU HB3 H 1 2.021 0.020 . 2 . . . A 69 GLU HB3 . 19007 1 677 . 1 1 69 69 GLU HG3 H 1 2.335 0.020 . 2 . . . A 69 GLU HG3 . 19007 1 678 . 1 1 69 69 GLU C C 13 179.538 0.400 . 1 . . . A 69 GLU C . 19007 1 679 . 1 1 69 69 GLU CA C 13 60.030 0.400 . 1 . . . A 69 GLU CA . 19007 1 680 . 1 1 69 69 GLU CB C 13 28.560 0.400 . 1 . . . A 69 GLU CB . 19007 1 681 . 1 1 69 69 GLU CG C 13 36.759 0.400 . 1 . . . A 69 GLU CG . 19007 1 682 . 1 1 69 69 GLU N N 15 116.430 0.400 . 1 . . . A 69 GLU N . 19007 1 683 . 1 1 70 70 GLN H H 1 7.000 0.020 . 1 . . . A 70 GLN H . 19007 1 684 . 1 1 70 70 GLN HA H 1 4.120 0.020 . 1 . . . A 70 GLN HA . 19007 1 685 . 1 1 70 70 GLN HB2 H 1 2.082 0.020 . 2 . . . A 70 GLN HB2 . 19007 1 686 . 1 1 70 70 GLN HB3 H 1 1.933 0.020 . 2 . . . A 70 GLN HB3 . 19007 1 687 . 1 1 70 70 GLN HG3 H 1 2.342 0.020 . 2 . . . A 70 GLN HG3 . 19007 1 688 . 1 1 70 70 GLN HE21 H 1 7.168 0.020 . 2 . . . A 70 GLN HE21 . 19007 1 689 . 1 1 70 70 GLN HE22 H 1 6.677 0.020 . 2 . . . A 70 GLN HE22 . 19007 1 690 . 1 1 70 70 GLN C C 13 177.955 0.400 . 1 . . . A 70 GLN C . 19007 1 691 . 1 1 70 70 GLN CA C 13 57.950 0.400 . 1 . . . A 70 GLN CA . 19007 1 692 . 1 1 70 70 GLN CB C 13 29.290 0.400 . 1 . . . A 70 GLN CB . 19007 1 693 . 1 1 70 70 GLN CG C 13 33.741 0.400 . 1 . . . A 70 GLN CG . 19007 1 694 . 1 1 70 70 GLN N N 15 117.670 0.400 . 1 . . . A 70 GLN N . 19007 1 695 . 1 1 70 70 GLN NE2 N 15 111.195 0.400 . 1 . . . A 70 GLN NE2 . 19007 1 696 . 1 1 71 71 GLU H H 1 8.080 0.020 . 1 . . . A 71 GLU H . 19007 1 697 . 1 1 71 71 GLU HA H 1 3.668 0.020 . 1 . . . A 71 GLU HA . 19007 1 698 . 1 1 71 71 GLU HB2 H 1 2.122 0.020 . 2 . . . A 71 GLU HB2 . 19007 1 699 . 1 1 71 71 GLU HB3 H 1 2.010 0.020 . 2 . . . A 71 GLU HB3 . 19007 1 700 . 1 1 71 71 GLU HG3 H 1 2.350 0.020 . 2 . . . A 71 GLU HG3 . 19007 1 701 . 1 1 71 71 GLU C C 13 179.429 0.400 . 1 . . . A 71 GLU C . 19007 1 702 . 1 1 71 71 GLU CA C 13 60.620 0.400 . 1 . . . A 71 GLU CA . 19007 1 703 . 1 1 71 71 GLU CB C 13 29.660 0.400 . 1 . . . A 71 GLU CB . 19007 1 704 . 1 1 71 71 GLU CG C 13 36.998 0.400 . 1 . . . A 71 GLU CG . 19007 1 705 . 1 1 71 71 GLU N N 15 120.850 0.400 . 1 . . . A 71 GLU N . 19007 1 706 . 1 1 72 72 GLU H H 1 8.390 0.020 . 1 . . . A 72 GLU H . 19007 1 707 . 1 1 72 72 GLU HA H 1 4.038 0.020 . 1 . . . A 72 GLU HA . 19007 1 708 . 1 1 72 72 GLU HB2 H 1 2.013 0.020 . 2 . . . A 72 GLU HB2 . 19007 1 709 . 1 1 72 72 GLU HB3 H 1 2.101 0.020 . 2 . . . A 72 GLU HB3 . 19007 1 710 . 1 1 72 72 GLU HG2 H 1 2.348 0.020 . 2 . . . A 72 GLU HG2 . 19007 1 711 . 1 1 72 72 GLU HG3 H 1 2.244 0.020 . 2 . . . A 72 GLU HG3 . 19007 1 712 . 1 1 72 72 GLU C C 13 178.446 0.400 . 1 . . . A 72 GLU C . 19007 1 713 . 1 1 72 72 GLU CA C 13 59.690 0.400 . 1 . . . A 72 GLU CA . 19007 1 714 . 1 1 72 72 GLU CB C 13 29.350 0.400 . 1 . . . A 72 GLU CB . 19007 1 715 . 1 1 72 72 GLU CG C 13 36.680 0.400 . 1 . . . A 72 GLU CG . 19007 1 716 . 1 1 72 72 GLU N N 15 119.670 0.400 . 1 . . . A 72 GLU N . 19007 1 717 . 1 1 73 73 GLN H H 1 7.730 0.020 . 1 . . . A 73 GLN H . 19007 1 718 . 1 1 73 73 GLN HA H 1 4.110 0.020 . 1 . . . A 73 GLN HA . 19007 1 719 . 1 1 73 73 GLN HB2 H 1 2.361 0.020 . 2 . . . A 73 GLN HB2 . 19007 1 720 . 1 1 73 73 GLN HB3 H 1 2.440 0.020 . 2 . . . A 73 GLN HB3 . 19007 1 721 . 1 1 73 73 GLN HG3 H 1 2.705 0.020 . 2 . . . A 73 GLN HG3 . 19007 1 722 . 1 1 73 73 GLN HE21 H 1 7.389 0.020 . 2 . . . A 73 GLN HE21 . 19007 1 723 . 1 1 73 73 GLN HE22 H 1 6.727 0.020 . 2 . . . A 73 GLN HE22 . 19007 1 724 . 1 1 73 73 GLN C C 13 179.320 0.400 . 1 . . . A 73 GLN C . 19007 1 725 . 1 1 73 73 GLN CA C 13 59.470 0.400 . 1 . . . A 73 GLN CA . 19007 1 726 . 1 1 73 73 GLN CB C 13 29.480 0.400 . 1 . . . A 73 GLN CB . 19007 1 727 . 1 1 73 73 GLN CG C 13 34.535 0.400 . 1 . . . A 73 GLN CG . 19007 1 728 . 1 1 73 73 GLN N N 15 119.030 0.400 . 1 . . . A 73 GLN N . 19007 1 729 . 1 1 73 73 GLN NE2 N 15 109.981 0.400 . 1 . . . A 73 GLN NE2 . 19007 1 730 . 1 1 74 74 LEU H H 1 8.290 0.020 . 1 . . . A 74 LEU H . 19007 1 731 . 1 1 74 74 LEU HA H 1 3.918 0.020 . 1 . . . A 74 LEU HA . 19007 1 732 . 1 1 74 74 LEU HB2 H 1 1.786 0.020 . 2 . . . A 74 LEU HB2 . 19007 1 733 . 1 1 74 74 LEU HB3 H 1 1.850 0.020 . 2 . . . A 74 LEU HB3 . 19007 1 734 . 1 1 74 74 LEU HG H 1 1.657 0.020 . 1 . . . A 74 LEU HG . 19007 1 735 . 1 1 74 74 LEU HD11 H 1 0.774 0.020 . 1 . . . A 74 LEU HD11 . 19007 1 736 . 1 1 74 74 LEU HD12 H 1 0.774 0.020 . 1 . . . A 74 LEU HD12 . 19007 1 737 . 1 1 74 74 LEU HD13 H 1 0.774 0.020 . 1 . . . A 74 LEU HD13 . 19007 1 738 . 1 1 74 74 LEU C C 13 177.818 0.400 . 1 . . . A 74 LEU C . 19007 1 739 . 1 1 74 74 LEU CA C 13 58.720 0.400 . 1 . . . A 74 LEU CA . 19007 1 740 . 1 1 74 74 LEU CB C 13 42.890 0.400 . 1 . . . A 74 LEU CB . 19007 1 741 . 1 1 74 74 LEU CG C 13 29.054 0.400 . 1 . . . A 74 LEU CG . 19007 1 742 . 1 1 74 74 LEU CD1 C 13 25.089 0.400 . 1 . . . A 74 LEU CD1 . 19007 1 743 . 1 1 74 74 LEU N N 15 119.760 0.400 . 1 . . . A 74 LEU N . 19007 1 744 . 1 1 75 75 THR H H 1 8.450 0.020 . 1 . . . A 75 THR H . 19007 1 745 . 1 1 75 75 THR HA H 1 3.680 0.020 . 1 . . . A 75 THR HA . 19007 1 746 . 1 1 75 75 THR HG21 H 1 1.230 0.020 . 1 . . . A 75 THR HG21 . 19007 1 747 . 1 1 75 75 THR HG22 H 1 1.230 0.020 . 1 . . . A 75 THR HG22 . 19007 1 748 . 1 1 75 75 THR HG23 H 1 1.230 0.020 . 1 . . . A 75 THR HG23 . 19007 1 749 . 1 1 75 75 THR C C 13 176.480 0.400 . 1 . . . A 75 THR C . 19007 1 750 . 1 1 75 75 THR CA C 13 66.990 0.400 . 1 . . . A 75 THR CA . 19007 1 751 . 1 1 75 75 THR CB C 13 68.640 0.400 . 1 . . . A 75 THR CB . 19007 1 752 . 1 1 75 75 THR CG2 C 13 21.510 0.400 . 1 . . . A 75 THR CG2 . 19007 1 753 . 1 1 75 75 THR N N 15 113.520 0.400 . 1 . . . A 75 THR N . 19007 1 754 . 1 1 76 76 GLU H H 1 8.330 0.020 . 1 . . . A 76 GLU H . 19007 1 755 . 1 1 76 76 GLU HA H 1 4.014 0.020 . 1 . . . A 76 GLU HA . 19007 1 756 . 1 1 76 76 GLU HB2 H 1 2.004 0.020 . 2 . . . A 76 GLU HB2 . 19007 1 757 . 1 1 76 76 GLU HB3 H 1 2.097 0.020 . 2 . . . A 76 GLU HB3 . 19007 1 758 . 1 1 76 76 GLU HG2 H 1 2.338 0.020 . 2 . . . A 76 GLU HG2 . 19007 1 759 . 1 1 76 76 GLU HG3 H 1 2.245 0.020 . 2 . . . A 76 GLU HG3 . 19007 1 760 . 1 1 76 76 GLU C C 13 178.965 0.400 . 1 . . . A 76 GLU C . 19007 1 761 . 1 1 76 76 GLU CA C 13 59.190 0.400 . 1 . . . A 76 GLU CA . 19007 1 762 . 1 1 76 76 GLU CB C 13 29.590 0.400 . 1 . . . A 76 GLU CB . 19007 1 763 . 1 1 76 76 GLU CG C 13 36.521 0.400 . 1 . . . A 76 GLU CG . 19007 1 764 . 1 1 76 76 GLU N N 15 121.340 0.400 . 1 . . . A 76 GLU N . 19007 1 765 . 1 1 77 77 LEU H H 1 7.560 0.020 . 1 . . . A 77 LEU H . 19007 1 766 . 1 1 77 77 LEU HA H 1 3.955 0.020 . 1 . . . A 77 LEU HA . 19007 1 767 . 1 1 77 77 LEU HB2 H 1 1.789 0.020 . 2 . . . A 77 LEU HB2 . 19007 1 768 . 1 1 77 77 LEU HB3 H 1 1.852 0.020 . 2 . . . A 77 LEU HB3 . 19007 1 769 . 1 1 77 77 LEU HG H 1 1.681 0.020 . 1 . . . A 77 LEU HG . 19007 1 770 . 1 1 77 77 LEU HD11 H 1 0.781 0.020 . 1 . . . A 77 LEU HD11 . 19007 1 771 . 1 1 77 77 LEU HD12 H 1 0.781 0.020 . 1 . . . A 77 LEU HD12 . 19007 1 772 . 1 1 77 77 LEU HD13 H 1 0.781 0.020 . 1 . . . A 77 LEU HD13 . 19007 1 773 . 1 1 77 77 LEU C C 13 180.057 0.400 . 1 . . . A 77 LEU C . 19007 1 774 . 1 1 77 77 LEU CA C 13 58.510 0.400 . 1 . . . A 77 LEU CA . 19007 1 775 . 1 1 77 77 LEU CB C 13 42.716 0.400 . 1 . . . A 77 LEU CB . 19007 1 776 . 1 1 77 77 LEU CG C 13 29.055 0.400 . 1 . . . A 77 LEU CG . 19007 1 777 . 1 1 77 77 LEU CD1 C 13 25.719 0.400 . 1 . . . A 77 LEU CD1 . 19007 1 778 . 1 1 77 77 LEU N N 15 120.170 0.400 . 1 . . . A 77 LEU N . 19007 1 779 . 1 1 78 78 ILE H H 1 7.740 0.020 . 1 . . . A 78 ILE H . 19007 1 780 . 1 1 78 78 ILE HA H 1 3.429 0.020 . 1 . . . A 78 ILE HA . 19007 1 781 . 1 1 78 78 ILE HB H 1 2.135 0.020 . 1 . . . A 78 ILE HB . 19007 1 782 . 1 1 78 78 ILE HG13 H 1 1.683 0.020 . 2 . . . A 78 ILE HG13 . 19007 1 783 . 1 1 78 78 ILE HG21 H 1 0.672 0.020 . 1 . . . A 78 ILE HG21 . 19007 1 784 . 1 1 78 78 ILE HG22 H 1 0.672 0.020 . 1 . . . A 78 ILE HG22 . 19007 1 785 . 1 1 78 78 ILE HG23 H 1 0.672 0.020 . 1 . . . A 78 ILE HG23 . 19007 1 786 . 1 1 78 78 ILE HD11 H 1 0.634 0.020 . 1 . . . A 78 ILE HD11 . 19007 1 787 . 1 1 78 78 ILE HD12 H 1 0.634 0.020 . 1 . . . A 78 ILE HD12 . 19007 1 788 . 1 1 78 78 ILE HD13 H 1 0.634 0.020 . 1 . . . A 78 ILE HD13 . 19007 1 789 . 1 1 78 78 ILE C C 13 176.043 0.400 . 1 . . . A 78 ILE C . 19007 1 790 . 1 1 78 78 ILE CA C 13 65.740 0.400 . 1 . . . A 78 ILE CA . 19007 1 791 . 1 1 78 78 ILE CB C 13 37.960 0.400 . 1 . . . A 78 ILE CB . 19007 1 792 . 1 1 78 78 ILE CG1 C 13 29.929 0.400 . 1 . . . A 78 ILE CG1 . 19007 1 793 . 1 1 78 78 ILE CG2 C 13 18.491 0.400 . 1 . . . A 78 ILE CG2 . 19007 1 794 . 1 1 78 78 ILE CD1 C 13 13.726 0.400 . 1 . . . A 78 ILE CD1 . 19007 1 795 . 1 1 78 78 ILE N N 15 119.930 0.400 . 1 . . . A 78 ILE N . 19007 1 796 . 1 1 79 79 ALA H H 1 8.210 0.020 . 1 . . . A 79 ALA H . 19007 1 797 . 1 1 79 79 ALA HA H 1 4.229 0.020 . 1 . . . A 79 ALA HA . 19007 1 798 . 1 1 79 79 ALA HB1 H 1 1.483 0.020 . 1 . . . A 79 ALA HB1 . 19007 1 799 . 1 1 79 79 ALA HB2 H 1 1.483 0.020 . 1 . . . A 79 ALA HB2 . 19007 1 800 . 1 1 79 79 ALA HB3 H 1 1.483 0.020 . 1 . . . A 79 ALA HB3 . 19007 1 801 . 1 1 79 79 ALA C C 13 178.719 0.400 . 1 . . . A 79 ALA C . 19007 1 802 . 1 1 79 79 ALA CA C 13 53.390 0.400 . 1 . . . A 79 ALA CA . 19007 1 803 . 1 1 79 79 ALA CB C 13 18.500 0.400 . 1 . . . A 79 ALA CB . 19007 1 804 . 1 1 79 79 ALA N N 15 116.940 0.400 . 1 . . . A 79 ALA N . 19007 1 805 . 1 1 80 80 SER H H 1 7.600 0.020 . 1 . . . A 80 SER H . 19007 1 806 . 1 1 80 80 SER HA H 1 4.253 0.020 . 1 . . . A 80 SER HA . 19007 1 807 . 1 1 80 80 SER HB3 H 1 4.033 0.020 . 2 . . . A 80 SER HB3 . 19007 1 808 . 1 1 80 80 SER C C 13 174.869 0.400 . 1 . . . A 80 SER C . 19007 1 809 . 1 1 80 80 SER CA C 13 60.550 0.400 . 1 . . . A 80 SER CA . 19007 1 810 . 1 1 80 80 SER CB C 13 63.130 0.400 . 1 . . . A 80 SER CB . 19007 1 811 . 1 1 80 80 SER N N 15 113.260 0.400 . 1 . . . A 80 SER N . 19007 1 812 . 1 1 81 81 LYS H H 1 7.690 0.020 . 1 . . . A 81 LYS H . 19007 1 813 . 1 1 81 81 LYS HA H 1 4.527 0.020 . 1 . . . A 81 LYS HA . 19007 1 814 . 1 1 81 81 LYS HB2 H 1 1.965 0.020 . 2 . . . A 81 LYS HB2 . 19007 1 815 . 1 1 81 81 LYS HB3 H 1 2.124 0.020 . 2 . . . A 81 LYS HB3 . 19007 1 816 . 1 1 81 81 LYS HG3 H 1 1.666 0.020 . 2 . . . A 81 LYS HG3 . 19007 1 817 . 1 1 81 81 LYS HD3 H 1 1.683 0.020 . 2 . . . A 81 LYS HD3 . 19007 1 818 . 1 1 81 81 LYS HE3 H 1 2.864 0.020 . 2 . . . A 81 LYS HE3 . 19007 1 819 . 1 1 81 81 LYS C C 13 176.289 0.400 . 1 . . . A 81 LYS C . 19007 1 820 . 1 1 81 81 LYS CA C 13 54.000 0.400 . 1 . . . A 81 LYS CA . 19007 1 821 . 1 1 81 81 LYS CB C 13 30.440 0.400 . 1 . . . A 81 LYS CB . 19007 1 822 . 1 1 81 81 LYS CG C 13 24.206 0.400 . 1 . . . A 81 LYS CG . 19007 1 823 . 1 1 81 81 LYS CD C 13 26.950 0.400 . 1 . . . A 81 LYS CD . 19007 1 824 . 1 1 81 81 LYS CE C 13 40.964 0.400 . 1 . . . A 81 LYS CE . 19007 1 825 . 1 1 81 81 LYS N N 15 123.510 0.400 . 1 . . . A 81 LYS N . 19007 1 826 . 1 1 82 82 LYS H H 1 8.190 0.020 . 1 . . . A 82 LYS H . 19007 1 827 . 1 1 82 82 LYS HA H 1 4.539 0.020 . 1 . . . A 82 LYS HA . 19007 1 828 . 1 1 82 82 LYS HB3 H 1 1.833 0.020 . 2 . . . A 82 LYS HB3 . 19007 1 829 . 1 1 82 82 LYS HG3 H 1 1.417 0.020 . 2 . . . A 82 LYS HG3 . 19007 1 830 . 1 1 82 82 LYS HD3 H 1 1.688 0.020 . 2 . . . A 82 LYS HD3 . 19007 1 831 . 1 1 82 82 LYS HE3 H 1 2.973 0.020 . 2 . . . A 82 LYS HE3 . 19007 1 832 . 1 1 82 82 LYS C C 13 176.835 0.400 . 1 . . . A 82 LYS C . 19007 1 833 . 1 1 82 82 LYS CA C 13 59.090 0.400 . 1 . . . A 82 LYS CA . 19007 1 834 . 1 1 82 82 LYS CB C 13 32.330 0.400 . 1 . . . A 82 LYS CB . 19007 1 835 . 1 1 82 82 LYS CG C 13 24.581 0.400 . 1 . . . A 82 LYS CG . 19007 1 836 . 1 1 82 82 LYS CD C 13 28.940 0.400 . 1 . . . A 82 LYS CD . 19007 1 837 . 1 1 82 82 LYS CE C 13 42.016 0.400 . 1 . . . A 82 LYS CE . 19007 1 838 . 1 1 82 82 LYS N N 15 120.760 0.400 . 1 . . . A 82 LYS N . 19007 1 839 . 1 1 83 83 ASP H H 1 8.670 0.020 . 1 . . . A 83 ASP H . 19007 1 840 . 1 1 83 83 ASP HA H 1 4.659 0.020 . 1 . . . A 83 ASP HA . 19007 1 841 . 1 1 83 83 ASP HB2 H 1 3.063 0.020 . 2 . . . A 83 ASP HB2 . 19007 1 842 . 1 1 83 83 ASP HB3 H 1 2.939 0.020 . 2 . . . A 83 ASP HB3 . 19007 1 843 . 1 1 83 83 ASP C C 13 174.460 0.400 . 1 . . . A 83 ASP C . 19007 1 844 . 1 1 83 83 ASP CA C 13 55.390 0.400 . 1 . . . A 83 ASP CA . 19007 1 845 . 1 1 83 83 ASP CB C 13 40.680 0.400 . 1 . . . A 83 ASP CB . 19007 1 846 . 1 1 83 83 ASP N N 15 117.280 0.400 . 1 . . . A 83 ASP N . 19007 1 847 . 1 1 84 84 LEU H H 1 7.640 0.020 . 1 . . . A 84 LEU H . 19007 1 848 . 1 1 84 84 LEU HA H 1 5.100 0.020 . 1 . . . A 84 LEU HA . 19007 1 849 . 1 1 84 84 LEU HB3 H 1 2.044 0.020 . 2 . . . A 84 LEU HB3 . 19007 1 850 . 1 1 84 84 LEU HG H 1 1.532 0.020 . 1 . . . A 84 LEU HG . 19007 1 851 . 1 1 84 84 LEU HD11 H 1 0.640 0.020 . 1 . . . A 84 LEU HD11 . 19007 1 852 . 1 1 84 84 LEU HD12 H 1 0.640 0.020 . 1 . . . A 84 LEU HD12 . 19007 1 853 . 1 1 84 84 LEU HD13 H 1 0.640 0.020 . 1 . . . A 84 LEU HD13 . 19007 1 854 . 1 1 84 84 LEU C C 13 176.753 0.400 . 1 . . . A 84 LEU C . 19007 1 855 . 1 1 84 84 LEU CA C 13 54.560 0.400 . 1 . . . A 84 LEU CA . 19007 1 856 . 1 1 84 84 LEU CB C 13 43.690 0.400 . 1 . . . A 84 LEU CB . 19007 1 857 . 1 1 84 84 LEU CG C 13 26.034 0.400 . 1 . . . A 84 LEU CG . 19007 1 858 . 1 1 84 84 LEU CD1 C 13 23.351 0.400 . 1 . . . A 84 LEU CD1 . 19007 1 859 . 1 1 84 84 LEU N N 15 117.780 0.400 . 1 . . . A 84 LEU N . 19007 1 860 . 1 1 85 85 PHE H H 1 8.280 0.020 . 1 . . . A 85 PHE H . 19007 1 861 . 1 1 85 85 PHE HA H 1 4.754 0.020 . 1 . . . A 85 PHE HA . 19007 1 862 . 1 1 85 85 PHE HB3 H 1 2.940 0.020 . 2 . . . A 85 PHE HB3 . 19007 1 863 . 1 1 85 85 PHE HD2 H 1 7.011 0.020 . 1 . . . A 85 PHE HD2 . 19007 1 864 . 1 1 85 85 PHE HE2 H 1 7.620 0.020 . 1 . . . A 85 PHE HE2 . 19007 1 865 . 1 1 85 85 PHE C C 13 173.204 0.400 . 1 . . . A 85 PHE C . 19007 1 866 . 1 1 85 85 PHE CA C 13 56.400 0.400 . 1 . . . A 85 PHE CA . 19007 1 867 . 1 1 85 85 PHE CB C 13 42.000 0.400 . 1 . . . A 85 PHE CB . 19007 1 868 . 1 1 85 85 PHE CD2 C 13 131.213 0.400 . 1 . . . A 85 PHE CD2 . 19007 1 869 . 1 1 85 85 PHE CE2 C 13 136.931 0.400 . 1 . . . A 85 PHE CE2 . 19007 1 870 . 1 1 85 85 PHE N N 15 117.610 0.400 . 1 . . . A 85 PHE N . 19007 1 871 . 1 1 86 86 VAL H H 1 8.880 0.020 . 1 . . . A 86 VAL H . 19007 1 872 . 1 1 86 86 VAL HA H 1 3.882 0.020 . 1 . . . A 86 VAL HA . 19007 1 873 . 1 1 86 86 VAL HB H 1 2.008 0.020 . 1 . . . A 86 VAL HB . 19007 1 874 . 1 1 86 86 VAL HG11 H 1 0.874 0.020 . 1 . . . A 86 VAL HG11 . 19007 1 875 . 1 1 86 86 VAL HG12 H 1 0.874 0.020 . 1 . . . A 86 VAL HG12 . 19007 1 876 . 1 1 86 86 VAL HG13 H 1 0.874 0.020 . 1 . . . A 86 VAL HG13 . 19007 1 877 . 1 1 86 86 VAL HG21 H 1 0.722 0.020 . 1 . . . A 86 VAL HG21 . 19007 1 878 . 1 1 86 86 VAL HG22 H 1 0.722 0.020 . 1 . . . A 86 VAL HG22 . 19007 1 879 . 1 1 86 86 VAL HG23 H 1 0.722 0.020 . 1 . . . A 86 VAL HG23 . 19007 1 880 . 1 1 86 86 VAL C C 13 174.651 0.400 . 1 . . . A 86 VAL C . 19007 1 881 . 1 1 86 86 VAL CA C 13 63.640 0.400 . 1 . . . A 86 VAL CA . 19007 1 882 . 1 1 86 86 VAL CB C 13 31.440 0.400 . 1 . . . A 86 VAL CB . 19007 1 883 . 1 1 86 86 VAL CG1 C 13 23.687 0.400 . 1 . . . A 86 VAL CG1 . 19007 1 884 . 1 1 86 86 VAL CG2 C 13 21.675 0.400 . 1 . . . A 86 VAL CG2 . 19007 1 885 . 1 1 86 86 VAL N N 15 123.600 0.400 . 1 . . . A 86 VAL N . 19007 1 886 . 1 1 87 87 HIS H H 1 9.320 0.020 . 1 . . . A 87 HIS H . 19007 1 887 . 1 1 87 87 HIS HA H 1 4.420 0.020 . 1 . . . A 87 HIS HA . 19007 1 888 . 1 1 87 87 HIS HB2 H 1 2.620 0.020 . 2 . . . A 87 HIS HB2 . 19007 1 889 . 1 1 87 87 HIS HB3 H 1 2.500 0.020 . 2 . . . A 87 HIS HB3 . 19007 1 890 . 1 1 87 87 HIS HD2 H 1 8.676 0.020 . 1 . . . A 87 HIS HD2 . 19007 1 891 . 1 1 87 87 HIS HE1 H 1 7.343 0.020 . 1 . . . A 87 HIS HE1 . 19007 1 892 . 1 1 87 87 HIS C C 13 175.497 0.400 . 1 . . . A 87 HIS C . 19007 1 893 . 1 1 87 87 HIS CA C 13 58.090 0.400 . 1 . . . A 87 HIS CA . 19007 1 894 . 1 1 87 87 HIS CB C 13 32.870 0.400 . 1 . . . A 87 HIS CB . 19007 1 895 . 1 1 87 87 HIS CE1 C 13 136.743 0.400 . 1 . . . A 87 HIS CE1 . 19007 1 896 . 1 1 87 87 HIS N N 15 130.690 0.400 . 1 . . . A 87 HIS N . 19007 1 897 . 1 1 88 88 SER H H 1 7.370 0.020 . 1 . . . A 88 SER H . 19007 1 898 . 1 1 88 88 SER HA H 1 4.503 0.020 . 1 . . . A 88 SER HA . 19007 1 899 . 1 1 88 88 SER HB3 H 1 3.736 0.020 . 2 . . . A 88 SER HB3 . 19007 1 900 . 1 1 88 88 SER C C 13 172.248 0.400 . 1 . . . A 88 SER C . 19007 1 901 . 1 1 88 88 SER CA C 13 57.560 0.400 . 1 . . . A 88 SER CA . 19007 1 902 . 1 1 88 88 SER CB C 13 64.890 0.400 . 1 . . . A 88 SER CB . 19007 1 903 . 1 1 88 88 SER N N 15 109.280 0.400 . 1 . . . A 88 SER N . 19007 1 904 . 1 1 89 89 ILE H H 1 8.400 0.020 . 1 . . . A 89 ILE H . 19007 1 905 . 1 1 89 89 ILE HA H 1 4.265 0.020 . 1 . . . A 89 ILE HA . 19007 1 906 . 1 1 89 89 ILE HB H 1 1.837 0.020 . 1 . . . A 89 ILE HB . 19007 1 907 . 1 1 89 89 ILE HG12 H 1 1.169 0.020 . 2 . . . A 89 ILE HG12 . 19007 1 908 . 1 1 89 89 ILE HG13 H 1 1.451 0.020 . 2 . . . A 89 ILE HG13 . 19007 1 909 . 1 1 89 89 ILE HG21 H 1 0.751 0.020 . 1 . . . A 89 ILE HG21 . 19007 1 910 . 1 1 89 89 ILE HG22 H 1 0.751 0.020 . 1 . . . A 89 ILE HG22 . 19007 1 911 . 1 1 89 89 ILE HG23 H 1 0.751 0.020 . 1 . . . A 89 ILE HG23 . 19007 1 912 . 1 1 89 89 ILE HD11 H 1 0.824 0.020 . 1 . . . A 89 ILE HD11 . 19007 1 913 . 1 1 89 89 ILE HD12 H 1 0.824 0.020 . 1 . . . A 89 ILE HD12 . 19007 1 914 . 1 1 89 89 ILE HD13 H 1 0.824 0.020 . 1 . . . A 89 ILE HD13 . 19007 1 915 . 1 1 89 89 ILE C C 13 174.569 0.400 . 1 . . . A 89 ILE C . 19007 1 916 . 1 1 89 89 ILE CA C 13 61.110 0.400 . 1 . . . A 89 ILE CA . 19007 1 917 . 1 1 89 89 ILE CB C 13 39.960 0.400 . 1 . . . A 89 ILE CB . 19007 1 918 . 1 1 89 89 ILE CG1 C 13 27.487 0.400 . 1 . . . A 89 ILE CG1 . 19007 1 919 . 1 1 89 89 ILE CG2 C 13 17.540 0.400 . 1 . . . A 89 ILE CG2 . 19007 1 920 . 1 1 89 89 ILE CD1 C 13 12.287 0.400 . 1 . . . A 89 ILE CD1 . 19007 1 921 . 1 1 89 89 ILE N N 15 122.260 0.400 . 1 . . . A 89 ILE N . 19007 1 922 . 1 1 90 90 ASP H H 1 8.800 0.020 . 1 . . . A 90 ASP H . 19007 1 923 . 1 1 90 90 ASP HA H 1 5.064 0.020 . 1 . . . A 90 ASP HA . 19007 1 924 . 1 1 90 90 ASP HB2 H 1 2.670 0.020 . 2 . . . A 90 ASP HB2 . 19007 1 925 . 1 1 90 90 ASP HB3 H 1 2.770 0.020 . 2 . . . A 90 ASP HB3 . 19007 1 926 . 1 1 90 90 ASP C C 13 174.469 0.400 . 1 . . . A 90 ASP C . 19007 1 927 . 1 1 90 90 ASP CA C 13 53.600 0.400 . 1 . . . A 90 ASP CA . 19007 1 928 . 1 1 90 90 ASP CB C 13 44.230 0.400 . 1 . . . A 90 ASP CB . 19007 1 929 . 1 1 90 90 ASP N N 15 126.690 0.400 . 1 . . . A 90 ASP N . 19007 1 930 . 1 1 91 91 SER H H 1 8.500 0.020 . 1 . . . A 91 SER H . 19007 1 931 . 1 1 91 91 SER HA H 1 4.781 0.020 . 1 . . . A 91 SER HA . 19007 1 932 . 1 1 91 91 SER HB3 H 1 3.840 0.020 . 2 . . . A 91 SER HB3 . 19007 1 933 . 1 1 91 91 SER C C 13 173.164 0.400 . 1 . . . A 91 SER C . 19007 1 934 . 1 1 91 91 SER CA C 13 57.430 0.400 . 1 . . . A 91 SER CA . 19007 1 935 . 1 1 91 91 SER CB C 13 65.250 0.400 . 1 . . . A 91 SER CB . 19007 1 936 . 1 1 91 91 SER N N 15 116.760 0.400 . 1 . . . A 91 SER N . 19007 1 937 . 1 1 92 92 GLU H H 1 8.620 0.020 . 1 . . . A 92 GLU H . 19007 1 938 . 1 1 92 92 GLU HA H 1 4.355 0.020 . 1 . . . A 92 GLU HA . 19007 1 939 . 1 1 92 92 GLU HB2 H 1 1.800 0.020 . 2 . . . A 92 GLU HB2 . 19007 1 940 . 1 1 92 92 GLU HB3 H 1 1.723 0.020 . 2 . . . A 92 GLU HB3 . 19007 1 941 . 1 1 92 92 GLU HG3 H 1 2.230 0.020 . 2 . . . A 92 GLU HG3 . 19007 1 942 . 1 1 92 92 GLU C C 13 176.419 0.400 . 1 . . . A 92 GLU C . 19007 1 943 . 1 1 92 92 GLU CA C 13 56.250 0.400 . 1 . . . A 92 GLU CA . 19007 1 944 . 1 1 92 92 GLU CB C 13 30.730 0.400 . 1 . . . A 92 GLU CB . 19007 1 945 . 1 1 92 92 GLU CG C 13 36.651 0.400 . 1 . . . A 92 GLU CG . 19007 1 946 . 1 1 92 92 GLU N N 15 123.420 0.400 . 1 . . . A 92 GLU N . 19007 1 947 . 1 1 93 93 VAL H H 1 8.220 0.020 . 1 . . . A 93 VAL H . 19007 1 948 . 1 1 93 93 VAL HA H 1 4.105 0.020 . 1 . . . A 93 VAL HA . 19007 1 949 . 1 1 93 93 VAL HB H 1 2.012 0.020 . 1 . . . A 93 VAL HB . 19007 1 950 . 1 1 93 93 VAL HG11 H 1 0.894 0.020 . 1 . . . A 93 VAL HG11 . 19007 1 951 . 1 1 93 93 VAL HG12 H 1 0.894 0.020 . 1 . . . A 93 VAL HG12 . 19007 1 952 . 1 1 93 93 VAL HG13 H 1 0.894 0.020 . 1 . . . A 93 VAL HG13 . 19007 1 953 . 1 1 93 93 VAL HG21 H 1 0.914 0.020 . 1 . . . A 93 VAL HG21 . 19007 1 954 . 1 1 93 93 VAL HG22 H 1 0.914 0.020 . 1 . . . A 93 VAL HG22 . 19007 1 955 . 1 1 93 93 VAL HG23 H 1 0.914 0.020 . 1 . . . A 93 VAL HG23 . 19007 1 956 . 1 1 93 93 VAL CA C 13 62.240 0.400 . 1 . . . A 93 VAL CA . 19007 1 957 . 1 1 93 93 VAL CB C 13 32.860 0.400 . 1 . . . A 93 VAL CB . 19007 1 958 . 1 1 93 93 VAL CG2 C 13 21.004 0.400 . 1 . . . A 93 VAL CG2 . 19007 1 959 . 1 1 93 93 VAL N N 15 122.090 0.400 . 1 . . . A 93 VAL N . 19007 1 960 . 1 1 96 96 LYS HA H 1 4.079 0.020 . 1 . . . A 96 LYS HA . 19007 1 961 . 1 1 96 96 LYS C C 13 176.053 0.400 . 1 . . . A 96 LYS C . 19007 1 962 . 1 1 96 96 LYS CA C 13 62.497 0.400 . 1 . . . A 96 LYS CA . 19007 1 963 . 1 1 96 96 LYS CB C 13 32.776 0.400 . 1 . . . A 96 LYS CB . 19007 1 964 . 1 1 97 97 LYS H H 1 8.500 0.020 . 1 . . . A 97 LYS H . 19007 1 965 . 1 1 97 97 LYS HA H 1 4.300 0.020 . 1 . . . A 97 LYS HA . 19007 1 966 . 1 1 97 97 LYS HB2 H 1 1.725 0.020 . 2 . . . A 97 LYS HB2 . 19007 1 967 . 1 1 97 97 LYS HB3 H 1 1.795 0.020 . 2 . . . A 97 LYS HB3 . 19007 1 968 . 1 1 97 97 LYS HG2 H 1 1.355 0.020 . 2 . . . A 97 LYS HG2 . 19007 1 969 . 1 1 97 97 LYS HG3 H 1 1.422 0.020 . 2 . . . A 97 LYS HG3 . 19007 1 970 . 1 1 97 97 LYS HD3 H 1 1.663 0.020 . 2 . . . A 97 LYS HD3 . 19007 1 971 . 1 1 97 97 LYS HE3 H 1 2.960 0.020 . 2 . . . A 97 LYS HE3 . 19007 1 972 . 1 1 97 97 LYS C C 13 176.665 0.400 . 1 . . . A 97 LYS C . 19007 1 973 . 1 1 97 97 LYS CA C 13 56.730 0.400 . 1 . . . A 97 LYS CA . 19007 1 974 . 1 1 97 97 LYS CB C 13 33.020 0.400 . 1 . . . A 97 LYS CB . 19007 1 975 . 1 1 97 97 LYS CG C 13 24.804 0.400 . 1 . . . A 97 LYS CG . 19007 1 976 . 1 1 97 97 LYS CD C 13 29.163 0.400 . 1 . . . A 97 LYS CD . 19007 1 977 . 1 1 97 97 LYS CE C 13 42.128 0.400 . 1 . . . A 97 LYS CE . 19007 1 978 . 1 1 97 97 LYS N N 15 126.170 0.400 . 1 . . . A 97 LYS N . 19007 1 979 . 1 1 98 98 GLU H H 1 8.470 0.020 . 1 . . . A 98 GLU H . 19007 1 980 . 1 1 98 98 GLU HA H 1 4.226 0.020 . 1 . . . A 98 GLU HA . 19007 1 981 . 1 1 98 98 GLU HB2 H 1 1.897 0.020 . 2 . . . A 98 GLU HB2 . 19007 1 982 . 1 1 98 98 GLU HB3 H 1 1.988 0.020 . 2 . . . A 98 GLU HB3 . 19007 1 983 . 1 1 98 98 GLU HG3 H 1 2.235 0.020 . 2 . . . A 98 GLU HG3 . 19007 1 984 . 1 1 98 98 GLU C C 13 176.382 0.400 . 1 . . . A 98 GLU C . 19007 1 985 . 1 1 98 98 GLU CA C 13 56.890 0.400 . 1 . . . A 98 GLU CA . 19007 1 986 . 1 1 98 98 GLU CB C 13 30.410 0.400 . 1 . . . A 98 GLU CB . 19007 1 987 . 1 1 98 98 GLU CG C 13 36.540 0.400 . 1 . . . A 98 GLU CG . 19007 1 988 . 1 1 98 98 GLU N N 15 122.020 0.400 . 1 . . . A 98 GLU N . 19007 1 989 . 1 1 99 99 ALA H H 1 8.310 0.020 . 1 . . . A 99 ALA H . 19007 1 990 . 1 1 99 99 ALA HA H 1 4.281 0.020 . 1 . . . A 99 ALA HA . 19007 1 991 . 1 1 99 99 ALA HB1 H 1 1.373 0.020 . 1 . . . A 99 ALA HB1 . 19007 1 992 . 1 1 99 99 ALA HB2 H 1 1.373 0.020 . 1 . . . A 99 ALA HB2 . 19007 1 993 . 1 1 99 99 ALA HB3 H 1 1.373 0.020 . 1 . . . A 99 ALA HB3 . 19007 1 994 . 1 1 99 99 ALA C C 13 177.723 0.400 . 1 . . . A 99 ALA C . 19007 1 995 . 1 1 99 99 ALA CA C 13 52.880 0.400 . 1 . . . A 99 ALA CA . 19007 1 996 . 1 1 99 99 ALA CB C 13 19.320 0.400 . 1 . . . A 99 ALA CB . 19007 1 997 . 1 1 99 99 ALA N N 15 124.770 0.400 . 1 . . . A 99 ALA N . 19007 1 998 . 1 1 100 100 GLN H H 1 8.280 0.020 . 1 . . . A 100 GLN H . 19007 1 999 . 1 1 100 100 GLN HA H 1 4.266 0.020 . 1 . . . A 100 GLN HA . 19007 1 1000 . 1 1 100 100 GLN HB2 H 1 1.901 0.020 . 2 . . . A 100 GLN HB2 . 19007 1 1001 . 1 1 100 100 GLN HB3 H 1 2.049 0.020 . 2 . . . A 100 GLN HB3 . 19007 1 1002 . 1 1 100 100 GLN HG3 H 1 2.348 0.020 . 2 . . . A 100 GLN HG3 . 19007 1 1003 . 1 1 100 100 GLN HE21 H 1 7.306 0.020 . 2 . . . A 100 GLN HE21 . 19007 1 1004 . 1 1 100 100 GLN HE22 H 1 6.794 0.020 . 2 . . . A 100 GLN HE22 . 19007 1 1005 . 1 1 100 100 GLN CA C 13 56.000 0.400 . 1 . . . A 100 GLN CA . 19007 1 1006 . 1 1 100 100 GLN CB C 13 29.970 0.400 . 1 . . . A 100 GLN CB . 19007 1 1007 . 1 1 100 100 GLN CG C 13 33.969 0.400 . 1 . . . A 100 GLN CG . 19007 1 1008 . 1 1 100 100 GLN N N 15 119.190 0.400 . 1 . . . A 100 GLN N . 19007 1 1009 . 1 1 100 100 GLN NE2 N 15 110.910 0.400 . 1 . . . A 100 GLN NE2 . 19007 1 1010 . 1 1 101 101 GLN H H 1 8.114 0.020 . 1 . . . A 101 GLN H . 19007 1 1011 . 1 1 101 101 GLN HA H 1 4.650 0.020 . 1 . . . A 101 GLN HA . 19007 1 1012 . 1 1 101 101 GLN HB3 H 1 2.073 0.020 . 2 . . . A 101 GLN HB3 . 19007 1 1013 . 1 1 101 101 GLN HG2 H 1 2.210 0.020 . 2 . . . A 101 GLN HG2 . 19007 1 1014 . 1 1 101 101 GLN HG3 H 1 2.346 0.020 . 2 . . . A 101 GLN HG3 . 19007 1 1015 . 1 1 101 101 GLN HE21 H 1 7.464 0.020 . 2 . . . A 101 GLN HE21 . 19007 1 1016 . 1 1 101 101 GLN HE22 H 1 6.774 0.020 . 2 . . . A 101 GLN HE22 . 19007 1 1017 . 1 1 101 101 GLN C C 13 175.725 0.400 . 1 . . . A 101 GLN C . 19007 1 1018 . 1 1 101 101 GLN CA C 13 56.073 0.400 . 1 . . . A 101 GLN CA . 19007 1 1019 . 1 1 101 101 GLN CB C 13 29.524 0.400 . 1 . . . A 101 GLN CB . 19007 1 1020 . 1 1 101 101 GLN CG C 13 33.600 0.400 . 1 . . . A 101 GLN CG . 19007 1 1021 . 1 1 101 101 GLN N N 15 120.421 0.400 . 1 . . . A 101 GLN N . 19007 1 1022 . 1 1 101 101 GLN NE2 N 15 111.983 0.400 . 1 . . . A 101 GLN NE2 . 19007 1 1023 . 1 1 102 102 ILE H H 1 8.240 0.020 . 1 . . . A 102 ILE H . 19007 1 1024 . 1 1 102 102 ILE HA H 1 4.119 0.020 . 1 . . . A 102 ILE HA . 19007 1 1025 . 1 1 102 102 ILE HB H 1 1.841 0.020 . 1 . . . A 102 ILE HB . 19007 1 1026 . 1 1 102 102 ILE HG12 H 1 1.164 0.020 . 2 . . . A 102 ILE HG12 . 19007 1 1027 . 1 1 102 102 ILE HG13 H 1 1.443 0.020 . 2 . . . A 102 ILE HG13 . 19007 1 1028 . 1 1 102 102 ILE HG21 H 1 0.885 0.020 . 1 . . . A 102 ILE HG21 . 19007 1 1029 . 1 1 102 102 ILE HG22 H 1 0.885 0.020 . 1 . . . A 102 ILE HG22 . 19007 1 1030 . 1 1 102 102 ILE HG23 H 1 0.885 0.020 . 1 . . . A 102 ILE HG23 . 19007 1 1031 . 1 1 102 102 ILE HD11 H 1 0.826 0.020 . 1 . . . A 102 ILE HD11 . 19007 1 1032 . 1 1 102 102 ILE HD12 H 1 0.826 0.020 . 1 . . . A 102 ILE HD12 . 19007 1 1033 . 1 1 102 102 ILE HD13 H 1 0.826 0.020 . 1 . . . A 102 ILE HD13 . 19007 1 1034 . 1 1 102 102 ILE C C 13 175.916 0.400 . 1 . . . A 102 ILE C . 19007 1 1035 . 1 1 102 102 ILE CA C 13 61.260 0.400 . 1 . . . A 102 ILE CA . 19007 1 1036 . 1 1 102 102 ILE CB C 13 38.790 0.400 . 1 . . . A 102 ILE CB . 19007 1 1037 . 1 1 102 102 ILE CG1 C 13 27.487 0.400 . 1 . . . A 102 ILE CG1 . 19007 1 1038 . 1 1 102 102 ILE CG2 C 13 17.651 0.400 . 1 . . . A 102 ILE CG2 . 19007 1 1039 . 1 1 102 102 ILE CD1 C 13 12.622 0.400 . 1 . . . A 102 ILE CD1 . 19007 1 1040 . 1 1 102 102 ILE N N 15 122.940 0.400 . 1 . . . A 102 ILE N . 19007 1 1041 . 1 1 103 103 ARG H H 1 8.400 0.020 . 1 . . . A 103 ARG H . 19007 1 1042 . 1 1 103 103 ARG HA H 1 4.369 0.020 . 1 . . . A 103 ARG HA . 19007 1 1043 . 1 1 103 103 ARG HB2 H 1 1.811 0.020 . 2 . . . A 103 ARG HB2 . 19007 1 1044 . 1 1 103 103 ARG HB3 H 1 1.736 0.020 . 2 . . . A 103 ARG HB3 . 19007 1 1045 . 1 1 103 103 ARG HG3 H 1 1.591 0.020 . 2 . . . A 103 ARG HG3 . 19007 1 1046 . 1 1 103 103 ARG HD3 H 1 3.174 0.020 . 2 . . . A 103 ARG HD3 . 19007 1 1047 . 1 1 103 103 ARG C C 13 175.752 0.400 . 1 . . . A 103 ARG C . 19007 1 1048 . 1 1 103 103 ARG CA C 13 55.940 0.400 . 1 . . . A 103 ARG CA . 19007 1 1049 . 1 1 103 103 ARG CB C 13 31.340 0.400 . 1 . . . A 103 ARG CB . 19007 1 1050 . 1 1 103 103 ARG CG C 13 27.151 0.400 . 1 . . . A 103 ARG CG . 19007 1 1051 . 1 1 103 103 ARG CD C 13 43.134 0.400 . 1 . . . A 103 ARG CD . 19007 1 1052 . 1 1 103 103 ARG N N 15 125.780 0.400 . 1 . . . A 103 ARG N . 19007 1 1053 . 1 1 104 104 GLU H H 1 8.510 0.020 . 1 . . . A 104 GLU H . 19007 1 1054 . 1 1 104 104 GLU HA H 1 4.296 0.020 . 1 . . . A 104 GLU HA . 19007 1 1055 . 1 1 104 104 GLU HB2 H 1 1.914 0.020 . 2 . . . A 104 GLU HB2 . 19007 1 1056 . 1 1 104 104 GLU HB3 H 1 2.045 0.020 . 2 . . . A 104 GLU HB3 . 19007 1 1057 . 1 1 104 104 GLU HG3 H 1 2.234 0.020 . 2 . . . A 104 GLU HG3 . 19007 1 1058 . 1 1 104 104 GLU C C 13 175.314 0.400 . 1 . . . A 104 GLU C . 19007 1 1059 . 1 1 104 104 GLU CA C 13 56.430 0.400 . 1 . . . A 104 GLU CA . 19007 1 1060 . 1 1 104 104 GLU CB C 13 30.560 0.400 . 1 . . . A 104 GLU CB . 19007 1 1061 . 1 1 104 104 GLU CG C 13 36.428 0.400 . 1 . . . A 104 GLU CG . 19007 1 1062 . 1 1 104 104 GLU N N 15 123.840 0.400 . 1 . . . A 104 GLU N . 19007 1 1063 . 1 1 105 105 GLU H H 1 8.000 0.020 . 1 . . . A 105 GLU H . 19007 1 1064 . 1 1 105 105 GLU HA H 1 4.090 0.020 . 1 . . . A 105 GLU HA . 19007 1 1065 . 1 1 105 105 GLU HB2 H 1 1.869 0.020 . 2 . . . A 105 GLU HB2 . 19007 1 1066 . 1 1 105 105 GLU HB3 H 1 2.019 0.020 . 2 . . . A 105 GLU HB3 . 19007 1 1067 . 1 1 105 105 GLU HG3 H 1 2.163 0.020 . 2 . . . A 105 GLU HG3 . 19007 1 1068 . 1 1 105 105 GLU CA C 13 57.730 0.400 . 1 . . . A 105 GLU CA . 19007 1 1069 . 1 1 105 105 GLU CB C 13 31.330 0.400 . 1 . . . A 105 GLU CB . 19007 1 1070 . 1 1 105 105 GLU CG C 13 36.651 0.400 . 1 . . . A 105 GLU CG . 19007 1 1071 . 1 1 105 105 GLU N N 15 127.260 0.400 . 1 . . . A 105 GLU N . 19007 1 stop_ save_