data_19749 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19749 _Entry.Title ; Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-23 _Entry.Accession_date 2014-01-23 _Entry.Last_release_date 2014-03-03 _Entry.Original_release_date 2014-03-03 _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 'SOLUTION NMR' _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 Yunhuang Yang . . . 19749 2 Theresa Ramelot . A. . 19749 3 Haleema Janjua . . . 19749 4 Rong Xiao . . . 19749 5 John Everett . K. . 19749 6 Gaetano Montelione . T. . 19749 7 Michael Kennedy . A. . 19749 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 PSI:Biology 'Northeast Structural Genomics Consortium' . 19749 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 19749 'Protein NMR' . 19749 'Protein Structure Initiative' . 19749 PSI-Biology . 19749 'Structural Genomics' . 19749 'Target HR9134A' . 19749 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19749 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 19749 '15N chemical shifts' 112 19749 '1H chemical shifts' 704 19749 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-03 2014-01-23 original author . 19749 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MK2 'BMRB Entry Tracking System' 19749 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19749 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 19749 1 2 Theresa Ramelot . A. . 19749 1 3 Haleema Janjua . . . 19749 1 4 Rong Xiao . . . 19749 1 5 John Everett . K. . 19749 1 6 Gaetano Montelione . T. . 19749 1 7 Michael Kennedy . A. . 19749 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19749 _Assembly.ID 1 _Assembly.Name 'N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR9134A 1 $HR9134A A . yes native no no . . . 19749 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR9134A _Entity.Sf_category entity _Entity.Sf_framecode HR9134A _Entity.Entry_ID 19749 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR9134A _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 ; MGHHHHHHSHMSWYHRDLSR AAAEELLARAGRDGSFLVRD SESVAGAFALCVLYQKHVHT YRILPDGEDFLAVQTSQGVP VRRFQTLGELIGLYAQPNQG LVCALLLPV ; _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 109 _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 12198.978 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-09-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MK2 . "Solution Nmr Structure Of N-terminal Domain (sh2 Domain) Of Human Inositol Polyphosphate Phosphatase-like Protein 1 (inppl1) (f" . . . . . 100.00 109 100.00 100.00 8.54e-73 . . . . 19749 1 2 no DBJ BAA81818 . "SHIP-2 [Rattus norvegicus]" . . . . . 89.91 1183 98.98 100.00 5.49e-60 . . . . 19749 1 3 no DBJ BAA82308 . "SH2-containing inositol phosphatase 2 (SHIP2) [Rattus norvegicus]" . . . . . 89.91 1257 98.98 100.00 1.24e-59 . . . . 19749 1 4 no EMBL CAA74743 . "inositol polyphosphate 5-phosphatase [Homo sapiens]" . . . . . 89.91 1258 100.00 100.00 1.22e-59 . . . . 19749 1 5 no GB AAF28187 . "SH2-containing inositol 5-phosphatase 2 [Mus musculus]" . . . . . 89.91 1257 98.98 100.00 1.04e-59 . . . . 19749 1 6 no GB AAH63080 . "Inositol polyphosphate phosphatase-like 1 [Mus musculus]" . . . . . 89.91 1257 98.98 100.00 1.26e-59 . . . . 19749 1 7 no GB AAI40854 . "Inositol polyphosphate phosphatase-like 1 [Homo sapiens]" . . . . . 89.91 1258 100.00 100.00 1.22e-59 . . . . 19749 1 8 no GB ADG23056 . "SH2 domain-containing inositol-5'-phosphatase 2 [Sus scrofa]" . . . . . 89.91 1264 98.98 100.00 2.60e-59 . . . . 19749 1 9 no GB EAW74854 . "inositol polyphosphate phosphatase-like 1, isoform CRA_a [Homo sapiens]" . . . . . 89.91 1267 100.00 100.00 9.55e-60 . . . . 19749 1 10 no REF NP_001116211 . "phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 [Mus musculus]" . . . . . 89.91 1257 98.98 100.00 1.26e-59 . . . . 19749 1 11 no REF NP_001177208 . "phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2 [Sus scrofa]" . . . . . 89.91 1264 98.98 100.00 2.60e-59 . . . . 19749 1 12 no REF NP_001178105 . "phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2 [Bos taurus]" . . . . . 89.91 1264 97.96 98.98 1.07e-58 . . . . 19749 1 13 no REF NP_001247768 . "inositol polyphosphate phosphatase-like 1 [Macaca mulatta]" . . . . . 89.91 1258 100.00 100.00 1.00e-59 . . . . 19749 1 14 no REF NP_001257772 . "phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 isoform 2 [Rattus norvegicus]" . . . . . 89.91 1183 98.98 100.00 6.06e-60 . . . . 19749 1 15 no SP O15357 . "RecName: Full=Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2; AltName: Full=Inositol polyphosphate phosphatase-like p" . . . . . 89.91 1258 100.00 100.00 1.22e-59 . . . . 19749 1 16 no SP Q6P549 . "RecName: Full=Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2; AltName: Full=AblSH3-binding protein; AltName: Full=Ino" . . . . . 89.91 1257 98.98 100.00 1.26e-59 . . . . 19749 1 17 no SP Q9WVR3 . "RecName: Full=Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2; AltName: Full=Inositol polyphosphate phosphatase-like p" . . . . . 89.91 1257 98.98 100.00 1.24e-59 . . . . 19749 1 18 no TPG DAA21965 . "TPA: phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2-like [Bos taurus]" . . . . . 89.91 1264 97.96 98.98 1.07e-58 . . . . 19749 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 MET . 19749 1 2 2 GLY . 19749 1 3 3 HIS . 19749 1 4 4 HIS . 19749 1 5 5 HIS . 19749 1 6 6 HIS . 19749 1 7 7 HIS . 19749 1 8 8 HIS . 19749 1 9 9 SER . 19749 1 10 10 HIS . 19749 1 11 11 MET . 19749 1 12 12 SER . 19749 1 13 13 TRP . 19749 1 14 14 TYR . 19749 1 15 15 HIS . 19749 1 16 16 ARG . 19749 1 17 17 ASP . 19749 1 18 18 LEU . 19749 1 19 19 SER . 19749 1 20 20 ARG . 19749 1 21 21 ALA . 19749 1 22 22 ALA . 19749 1 23 23 ALA . 19749 1 24 24 GLU . 19749 1 25 25 GLU . 19749 1 26 26 LEU . 19749 1 27 27 LEU . 19749 1 28 28 ALA . 19749 1 29 29 ARG . 19749 1 30 30 ALA . 19749 1 31 31 GLY . 19749 1 32 32 ARG . 19749 1 33 33 ASP . 19749 1 34 34 GLY . 19749 1 35 35 SER . 19749 1 36 36 PHE . 19749 1 37 37 LEU . 19749 1 38 38 VAL . 19749 1 39 39 ARG . 19749 1 40 40 ASP . 19749 1 41 41 SER . 19749 1 42 42 GLU . 19749 1 43 43 SER . 19749 1 44 44 VAL . 19749 1 45 45 ALA . 19749 1 46 46 GLY . 19749 1 47 47 ALA . 19749 1 48 48 PHE . 19749 1 49 49 ALA . 19749 1 50 50 LEU . 19749 1 51 51 CYS . 19749 1 52 52 VAL . 19749 1 53 53 LEU . 19749 1 54 54 TYR . 19749 1 55 55 GLN . 19749 1 56 56 LYS . 19749 1 57 57 HIS . 19749 1 58 58 VAL . 19749 1 59 59 HIS . 19749 1 60 60 THR . 19749 1 61 61 TYR . 19749 1 62 62 ARG . 19749 1 63 63 ILE . 19749 1 64 64 LEU . 19749 1 65 65 PRO . 19749 1 66 66 ASP . 19749 1 67 67 GLY . 19749 1 68 68 GLU . 19749 1 69 69 ASP . 19749 1 70 70 PHE . 19749 1 71 71 LEU . 19749 1 72 72 ALA . 19749 1 73 73 VAL . 19749 1 74 74 GLN . 19749 1 75 75 THR . 19749 1 76 76 SER . 19749 1 77 77 GLN . 19749 1 78 78 GLY . 19749 1 79 79 VAL . 19749 1 80 80 PRO . 19749 1 81 81 VAL . 19749 1 82 82 ARG . 19749 1 83 83 ARG . 19749 1 84 84 PHE . 19749 1 85 85 GLN . 19749 1 86 86 THR . 19749 1 87 87 LEU . 19749 1 88 88 GLY . 19749 1 89 89 GLU . 19749 1 90 90 LEU . 19749 1 91 91 ILE . 19749 1 92 92 GLY . 19749 1 93 93 LEU . 19749 1 94 94 TYR . 19749 1 95 95 ALA . 19749 1 96 96 GLN . 19749 1 97 97 PRO . 19749 1 98 98 ASN . 19749 1 99 99 GLN . 19749 1 100 100 GLY . 19749 1 101 101 LEU . 19749 1 102 102 VAL . 19749 1 103 103 CYS . 19749 1 104 104 ALA . 19749 1 105 105 LEU . 19749 1 106 106 LEU . 19749 1 107 107 LEU . 19749 1 108 108 PRO . 19749 1 109 109 VAL . 19749 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 . MET 1 1 19749 1 . GLY 2 2 19749 1 . HIS 3 3 19749 1 . HIS 4 4 19749 1 . HIS 5 5 19749 1 . HIS 6 6 19749 1 . HIS 7 7 19749 1 . HIS 8 8 19749 1 . SER 9 9 19749 1 . HIS 10 10 19749 1 . MET 11 11 19749 1 . SER 12 12 19749 1 . TRP 13 13 19749 1 . TYR 14 14 19749 1 . HIS 15 15 19749 1 . ARG 16 16 19749 1 . ASP 17 17 19749 1 . LEU 18 18 19749 1 . SER 19 19 19749 1 . ARG 20 20 19749 1 . ALA 21 21 19749 1 . ALA 22 22 19749 1 . ALA 23 23 19749 1 . GLU 24 24 19749 1 . GLU 25 25 19749 1 . LEU 26 26 19749 1 . LEU 27 27 19749 1 . ALA 28 28 19749 1 . ARG 29 29 19749 1 . ALA 30 30 19749 1 . GLY 31 31 19749 1 . ARG 32 32 19749 1 . ASP 33 33 19749 1 . GLY 34 34 19749 1 . SER 35 35 19749 1 . PHE 36 36 19749 1 . LEU 37 37 19749 1 . VAL 38 38 19749 1 . ARG 39 39 19749 1 . ASP 40 40 19749 1 . SER 41 41 19749 1 . GLU 42 42 19749 1 . SER 43 43 19749 1 . VAL 44 44 19749 1 . ALA 45 45 19749 1 . GLY 46 46 19749 1 . ALA 47 47 19749 1 . PHE 48 48 19749 1 . ALA 49 49 19749 1 . LEU 50 50 19749 1 . CYS 51 51 19749 1 . VAL 52 52 19749 1 . LEU 53 53 19749 1 . TYR 54 54 19749 1 . GLN 55 55 19749 1 . LYS 56 56 19749 1 . HIS 57 57 19749 1 . VAL 58 58 19749 1 . HIS 59 59 19749 1 . THR 60 60 19749 1 . TYR 61 61 19749 1 . ARG 62 62 19749 1 . ILE 63 63 19749 1 . LEU 64 64 19749 1 . PRO 65 65 19749 1 . ASP 66 66 19749 1 . GLY 67 67 19749 1 . GLU 68 68 19749 1 . ASP 69 69 19749 1 . PHE 70 70 19749 1 . LEU 71 71 19749 1 . ALA 72 72 19749 1 . VAL 73 73 19749 1 . GLN 74 74 19749 1 . THR 75 75 19749 1 . SER 76 76 19749 1 . GLN 77 77 19749 1 . GLY 78 78 19749 1 . VAL 79 79 19749 1 . PRO 80 80 19749 1 . VAL 81 81 19749 1 . ARG 82 82 19749 1 . ARG 83 83 19749 1 . PHE 84 84 19749 1 . GLN 85 85 19749 1 . THR 86 86 19749 1 . LEU 87 87 19749 1 . GLY 88 88 19749 1 . GLU 89 89 19749 1 . LEU 90 90 19749 1 . ILE 91 91 19749 1 . GLY 92 92 19749 1 . LEU 93 93 19749 1 . TYR 94 94 19749 1 . ALA 95 95 19749 1 . GLN 96 96 19749 1 . PRO 97 97 19749 1 . ASN 98 98 19749 1 . GLN 99 99 19749 1 . GLY 100 100 19749 1 . LEU 101 101 19749 1 . VAL 102 102 19749 1 . CYS 103 103 19749 1 . ALA 104 104 19749 1 . LEU 105 105 19749 1 . LEU 106 106 19749 1 . LEU 107 107 19749 1 . PRO 108 108 19749 1 . VAL 109 109 19749 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 19749 _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 $HR9134A . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . INPPL1 . . . $citations 19749 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 19749 _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 $HR9134A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . HR9134A-20-117-15.4 . . . . . $citations 19749 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19749 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.58 mM HR9134A.003, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR9134A '[U-100% 13C; U-100% 15N]' . . 1 $HR9134A . . 0.58 . . mM . . . . 19749 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19749 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19749 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19749 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.58 mM HR9134A.003, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR9134A '[U-100% 13C; U-100% 15N]' . . 1 $HR9134A . . 0.58 . . mM . . . . 19749 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19749 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19749 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.05 mM HR9134A.003, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR9134A '[U-5% 13C; U-100% 15N]' . . 1 $HR9134A . . 1.05 . . mM . . . . 19749 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19749 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19749 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 19749 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 19749 1 pressure 1 . atm 19749 1 temperature 298 . K 19749 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19749 _Software.ID 1 _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' . . 19749 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 19749 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19749 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19749 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 19749 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 19749 _Software.ID 3 _Software.Name AutoStructure _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 19749 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 19749 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 19749 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 19749 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 19749 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19749 _Software.ID 5 _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' . . 19749 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19749 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19749 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19749 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 19749 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19749 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19749 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19749 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19749 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19749 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19749 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 19749 _Software.ID 9 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 19749 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19749 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19749 _Software.ID 10 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19749 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19749 10 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 19749 _Software.ID 11 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 19749 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19749 11 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 19749 _Software.ID 12 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 19749 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19749 12 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 19749 _Software.ID 13 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Prestegard' . . 19749 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19749 13 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19749 _Software.ID 14 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 19749 14 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19749 14 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 19749 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19749 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 19749 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . 1 $citations 19749 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 19749 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 19749 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19749 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19749 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19749 1 9 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 10 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 11 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 1 17 '2D 1H-15N HSQC histidine' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19749 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 19749 _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 . . . . . . . . . 19749 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19749 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19749 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 19749 _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' . . . 19749 1 2 '2D 1H-13C HSQC' . . . 19749 1 13 '2D 1H-13C HSQC aromatic' . . . 19749 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $AutoAssign . . 19749 1 9 $PINE . . 19749 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 10 10 HIS HB2 H 1 3.18 0.02 . 2 . . . A 10 HIS HB2 . 19749 1 2 . 1 1 10 10 HIS HB3 H 1 3.04 0.02 . 2 . . . A 10 HIS HB3 . 19749 1 3 . 1 1 10 10 HIS C C 13 175 0.2 . 1 . . . A 10 HIS C . 19749 1 4 . 1 1 10 10 HIS CA C 13 55.9 0.2 . 1 . . . A 10 HIS CA . 19749 1 5 . 1 1 10 10 HIS CB C 13 29.9 0.2 . 1 . . . A 10 HIS CB . 19749 1 6 . 1 1 11 11 MET H H 1 7.8 0.02 . 1 . . . A 11 MET H . 19749 1 7 . 1 1 11 11 MET HA H 1 4 0.02 . 1 . . . A 11 MET HA . 19749 1 8 . 1 1 11 11 MET HB2 H 1 0.96 0.02 . 2 . . . A 11 MET HB2 . 19749 1 9 . 1 1 11 11 MET HB3 H 1 0.56 0.02 . 2 . . . A 11 MET HB3 . 19749 1 10 . 1 1 11 11 MET HG2 H 1 2.16 0.02 . 2 . . . A 11 MET HG2 . 19749 1 11 . 1 1 11 11 MET HG3 H 1 2.16 0.02 . 2 . . . A 11 MET HG3 . 19749 1 12 . 1 1 11 11 MET C C 13 177.5 0.2 . 1 . . . A 11 MET C . 19749 1 13 . 1 1 11 11 MET CA C 13 54.1 0.2 . 1 . . . A 11 MET CA . 19749 1 14 . 1 1 11 11 MET CB C 13 31.5 0.2 . 1 . . . A 11 MET CB . 19749 1 15 . 1 1 11 11 MET CG C 13 32.4 0.2 . 1 . . . A 11 MET CG . 19749 1 16 . 1 1 11 11 MET N N 15 120.4 0.2 . 1 . . . A 11 MET N . 19749 1 17 . 1 1 12 12 SER H H 1 8.52 0.02 . 1 . . . A 12 SER H . 19749 1 18 . 1 1 12 12 SER HA H 1 3.86 0.02 . 1 . . . A 12 SER HA . 19749 1 19 . 1 1 12 12 SER HB2 H 1 3.81 0.02 . 2 . . . A 12 SER HB2 . 19749 1 20 . 1 1 12 12 SER HB3 H 1 3.81 0.02 . 2 . . . A 12 SER HB3 . 19749 1 21 . 1 1 12 12 SER HG H 1 5.69 0.02 . 1 . . . A 12 SER HG . 19749 1 22 . 1 1 12 12 SER C C 13 173.9 0.2 . 1 . . . A 12 SER C . 19749 1 23 . 1 1 12 12 SER CA C 13 61.2 0.2 . 1 . . . A 12 SER CA . 19749 1 24 . 1 1 12 12 SER CB C 13 62.5 0.2 . 1 . . . A 12 SER CB . 19749 1 25 . 1 1 12 12 SER N N 15 118.6 0.2 . 1 . . . A 12 SER N . 19749 1 26 . 1 1 13 13 TRP H H 1 6.18 0.02 . 1 . . . A 13 TRP H . 19749 1 27 . 1 1 13 13 TRP HA H 1 4.89 0.02 . 1 . . . A 13 TRP HA . 19749 1 28 . 1 1 13 13 TRP HB2 H 1 3.57 0.02 . 2 . . . A 13 TRP HB2 . 19749 1 29 . 1 1 13 13 TRP HB3 H 1 2.77 0.02 . 2 . . . A 13 TRP HB3 . 19749 1 30 . 1 1 13 13 TRP HD1 H 1 7.27 0.02 . 1 . . . A 13 TRP HD1 . 19749 1 31 . 1 1 13 13 TRP HE1 H 1 10.72 0.02 . 1 . . . A 13 TRP HE1 . 19749 1 32 . 1 1 13 13 TRP HE3 H 1 7.29 0.02 . 1 . . . A 13 TRP HE3 . 19749 1 33 . 1 1 13 13 TRP HZ2 H 1 7.48 0.02 . 1 . . . A 13 TRP HZ2 . 19749 1 34 . 1 1 13 13 TRP HZ3 H 1 6.59 0.02 . 1 . . . A 13 TRP HZ3 . 19749 1 35 . 1 1 13 13 TRP HH2 H 1 6.69 0.02 . 1 . . . A 13 TRP HH2 . 19749 1 36 . 1 1 13 13 TRP C C 13 176 0.2 . 1 . . . A 13 TRP C . 19749 1 37 . 1 1 13 13 TRP CA C 13 53.8 0.2 . 1 . . . A 13 TRP CA . 19749 1 38 . 1 1 13 13 TRP CB C 13 30.1 0.2 . 1 . . . A 13 TRP CB . 19749 1 39 . 1 1 13 13 TRP CD1 C 13 129.4 0.2 . 1 . . . A 13 TRP CD1 . 19749 1 40 . 1 1 13 13 TRP CE3 C 13 121.8 0.2 . 1 . . . A 13 TRP CE3 . 19749 1 41 . 1 1 13 13 TRP CZ2 C 13 115 0.2 . 1 . . . A 13 TRP CZ2 . 19749 1 42 . 1 1 13 13 TRP CZ3 C 13 120.5 0.2 . 1 . . . A 13 TRP CZ3 . 19749 1 43 . 1 1 13 13 TRP CH2 C 13 124.5 0.2 . 1 . . . A 13 TRP CH2 . 19749 1 44 . 1 1 13 13 TRP N N 15 113.4 0.2 . 1 . . . A 13 TRP N . 19749 1 45 . 1 1 13 13 TRP NE1 N 15 132.2 0.2 . 1 . . . A 13 TRP NE1 . 19749 1 46 . 1 1 14 14 TYR H H 1 7.43 0.02 . 1 . . . A 14 TYR H . 19749 1 47 . 1 1 14 14 TYR HA H 1 5.57 0.02 . 1 . . . A 14 TYR HA . 19749 1 48 . 1 1 14 14 TYR HB2 H 1 2.67 0.02 . 2 . . . A 14 TYR HB2 . 19749 1 49 . 1 1 14 14 TYR HB3 H 1 2.6 0.02 . 2 . . . A 14 TYR HB3 . 19749 1 50 . 1 1 14 14 TYR HD1 H 1 6.93 0.02 . 3 . . . A 14 TYR HD1 . 19749 1 51 . 1 1 14 14 TYR HD2 H 1 6.93 0.02 . 3 . . . A 14 TYR HD2 . 19749 1 52 . 1 1 14 14 TYR HE1 H 1 6.83 0.02 . 3 . . . A 14 TYR HE1 . 19749 1 53 . 1 1 14 14 TYR HE2 H 1 6.83 0.02 . 3 . . . A 14 TYR HE2 . 19749 1 54 . 1 1 14 14 TYR C C 13 174.7 0.2 . 1 . . . A 14 TYR C . 19749 1 55 . 1 1 14 14 TYR CA C 13 56 0.2 . 1 . . . A 14 TYR CA . 19749 1 56 . 1 1 14 14 TYR CB C 13 37.9 0.2 . 1 . . . A 14 TYR CB . 19749 1 57 . 1 1 14 14 TYR CD1 C 13 132.6 0.2 . 3 . . . A 14 TYR CD1 . 19749 1 58 . 1 1 14 14 TYR CD2 C 13 132.6 0.2 . 3 . . . A 14 TYR CD2 . 19749 1 59 . 1 1 14 14 TYR CE1 C 13 118.4 0.2 . 3 . . . A 14 TYR CE1 . 19749 1 60 . 1 1 14 14 TYR CE2 C 13 118.4 0.2 . 3 . . . A 14 TYR CE2 . 19749 1 61 . 1 1 14 14 TYR N N 15 123.2 0.2 . 1 . . . A 14 TYR N . 19749 1 62 . 1 1 15 15 HIS H H 1 8.68 0.02 . 1 . . . A 15 HIS H . 19749 1 63 . 1 1 15 15 HIS HA H 1 4.55 0.02 . 1 . . . A 15 HIS HA . 19749 1 64 . 1 1 15 15 HIS HB2 H 1 3.11 0.02 . 2 . . . A 15 HIS HB2 . 19749 1 65 . 1 1 15 15 HIS HB3 H 1 2.88 0.02 . 2 . . . A 15 HIS HB3 . 19749 1 66 . 1 1 15 15 HIS HD2 H 1 7.42 0.02 . 1 . . . A 15 HIS HD2 . 19749 1 67 . 1 1 15 15 HIS HE1 H 1 8.46 0.02 . 1 . . . A 15 HIS HE1 . 19749 1 68 . 1 1 15 15 HIS C C 13 173.3 0.2 . 1 . . . A 15 HIS C . 19749 1 69 . 1 1 15 15 HIS CA C 13 53.1 0.2 . 1 . . . A 15 HIS CA . 19749 1 70 . 1 1 15 15 HIS CB C 13 30.4 0.2 . 1 . . . A 15 HIS CB . 19749 1 71 . 1 1 15 15 HIS CD2 C 13 121.2 0.2 . 1 . . . A 15 HIS CD2 . 19749 1 72 . 1 1 15 15 HIS CE1 C 13 136.4 0.2 . 1 . . . A 15 HIS CE1 . 19749 1 73 . 1 1 15 15 HIS N N 15 126.9 0.2 . 1 . . . A 15 HIS N . 19749 1 74 . 1 1 15 15 HIS ND1 N 15 232.4 0.2 . 1 . . . A 15 HIS ND1 . 19749 1 75 . 1 1 15 15 HIS NE2 N 15 188.4 0.2 . 1 . . . A 15 HIS NE2 . 19749 1 76 . 1 1 16 16 ARG H H 1 7.74 0.02 . 1 . . . A 16 ARG H . 19749 1 77 . 1 1 16 16 ARG HA H 1 3.95 0.02 . 1 . . . A 16 ARG HA . 19749 1 78 . 1 1 16 16 ARG HB2 H 1 1.72 0.02 . 2 . . . A 16 ARG HB2 . 19749 1 79 . 1 1 16 16 ARG HB3 H 1 1.72 0.02 . 2 . . . A 16 ARG HB3 . 19749 1 80 . 1 1 16 16 ARG HG2 H 1 1.54 0.02 . 2 . . . A 16 ARG HG2 . 19749 1 81 . 1 1 16 16 ARG HG3 H 1 1.54 0.02 . 2 . . . A 16 ARG HG3 . 19749 1 82 . 1 1 16 16 ARG HD2 H 1 3.21 0.02 . 2 . . . A 16 ARG HD2 . 19749 1 83 . 1 1 16 16 ARG HD3 H 1 3.21 0.02 . 2 . . . A 16 ARG HD3 . 19749 1 84 . 1 1 16 16 ARG HE H 1 7.38 0.02 . 1 . . . A 16 ARG HE . 19749 1 85 . 1 1 16 16 ARG C C 13 176.1 0.2 . 1 . . . A 16 ARG C . 19749 1 86 . 1 1 16 16 ARG CA C 13 57.3 0.2 . 1 . . . A 16 ARG CA . 19749 1 87 . 1 1 16 16 ARG CB C 13 30.1 0.2 . 1 . . . A 16 ARG CB . 19749 1 88 . 1 1 16 16 ARG CG C 13 26.9 0.2 . 1 . . . A 16 ARG CG . 19749 1 89 . 1 1 16 16 ARG CD C 13 43.2 0.2 . 1 . . . A 16 ARG CD . 19749 1 90 . 1 1 16 16 ARG N N 15 122.5 0.2 . 1 . . . A 16 ARG N . 19749 1 91 . 1 1 16 16 ARG NE N 15 85.3 0.2 . 1 . . . A 16 ARG NE . 19749 1 92 . 1 1 17 17 ASP H H 1 8.9 0.02 . 1 . . . A 17 ASP H . 19749 1 93 . 1 1 17 17 ASP HA H 1 4.52 0.02 . 1 . . . A 17 ASP HA . 19749 1 94 . 1 1 17 17 ASP HB2 H 1 2.76 0.02 . 2 . . . A 17 ASP HB2 . 19749 1 95 . 1 1 17 17 ASP HB3 H 1 2.76 0.02 . 2 . . . A 17 ASP HB3 . 19749 1 96 . 1 1 17 17 ASP C C 13 174.9 0.2 . 1 . . . A 17 ASP C . 19749 1 97 . 1 1 17 17 ASP CA C 13 54.8 0.2 . 1 . . . A 17 ASP CA . 19749 1 98 . 1 1 17 17 ASP CB C 13 39.9 0.2 . 1 . . . A 17 ASP CB . 19749 1 99 . 1 1 17 17 ASP N N 15 119.1 0.2 . 1 . . . A 17 ASP N . 19749 1 100 . 1 1 18 18 LEU H H 1 7.28 0.02 . 1 . . . A 18 LEU H . 19749 1 101 . 1 1 18 18 LEU HA H 1 4.51 0.02 . 1 . . . A 18 LEU HA . 19749 1 102 . 1 1 18 18 LEU HB2 H 1 1.62 0.02 . 2 . . . A 18 LEU HB2 . 19749 1 103 . 1 1 18 18 LEU HB3 H 1 1.42 0.02 . 2 . . . A 18 LEU HB3 . 19749 1 104 . 1 1 18 18 LEU HG H 1 1.79 0.02 . 1 . . . A 18 LEU HG . 19749 1 105 . 1 1 18 18 LEU HD11 H 1 0.83 0.02 . 2 . . . A 18 LEU HD1 . 19749 1 106 . 1 1 18 18 LEU HD12 H 1 0.83 0.02 . 2 . . . A 18 LEU HD1 . 19749 1 107 . 1 1 18 18 LEU HD13 H 1 0.83 0.02 . 2 . . . A 18 LEU HD1 . 19749 1 108 . 1 1 18 18 LEU HD21 H 1 0.64 0.02 . 2 . . . A 18 LEU HD2 . 19749 1 109 . 1 1 18 18 LEU HD22 H 1 0.64 0.02 . 2 . . . A 18 LEU HD2 . 19749 1 110 . 1 1 18 18 LEU HD23 H 1 0.64 0.02 . 2 . . . A 18 LEU HD2 . 19749 1 111 . 1 1 18 18 LEU C C 13 176.3 0.2 . 1 . . . A 18 LEU C . 19749 1 112 . 1 1 18 18 LEU CA C 13 54.5 0.2 . 1 . . . A 18 LEU CA . 19749 1 113 . 1 1 18 18 LEU CB C 13 44.8 0.2 . 1 . . . A 18 LEU CB . 19749 1 114 . 1 1 18 18 LEU CG C 13 26.5 0.2 . 1 . . . A 18 LEU CG . 19749 1 115 . 1 1 18 18 LEU CD1 C 13 25.1 0.2 . 2 . . . A 18 LEU CD1 . 19749 1 116 . 1 1 18 18 LEU CD2 C 13 26.4 0.2 . 2 . . . A 18 LEU CD2 . 19749 1 117 . 1 1 18 18 LEU N N 15 121 0.2 . 1 . . . A 18 LEU N . 19749 1 118 . 1 1 19 19 SER H H 1 8.65 0.02 . 1 . . . A 19 SER H . 19749 1 119 . 1 1 19 19 SER HA H 1 4.44 0.02 . 1 . . . A 19 SER HA . 19749 1 120 . 1 1 19 19 SER HB2 H 1 4.37 0.02 . 2 . . . A 19 SER HB2 . 19749 1 121 . 1 1 19 19 SER HB3 H 1 4.1 0.02 . 2 . . . A 19 SER HB3 . 19749 1 122 . 1 1 19 19 SER C C 13 173.9 0.2 . 1 . . . A 19 SER C . 19749 1 123 . 1 1 19 19 SER CA C 13 57.7 0.2 . 1 . . . A 19 SER CA . 19749 1 124 . 1 1 19 19 SER CB C 13 65.2 0.2 . 1 . . . A 19 SER CB . 19749 1 125 . 1 1 19 19 SER N N 15 123.4 0.2 . 1 . . . A 19 SER N . 19749 1 126 . 1 1 20 20 ARG H H 1 8.97 0.02 . 1 . . . A 20 ARG H . 19749 1 127 . 1 1 20 20 ARG HA H 1 3.71 0.02 . 1 . . . A 20 ARG HA . 19749 1 128 . 1 1 20 20 ARG HB2 H 1 1.83 0.02 . 2 . . . A 20 ARG HB2 . 19749 1 129 . 1 1 20 20 ARG HB3 H 1 1.83 0.02 . 2 . . . A 20 ARG HB3 . 19749 1 130 . 1 1 20 20 ARG HG2 H 1 1.6 0.02 . 2 . . . A 20 ARG HG2 . 19749 1 131 . 1 1 20 20 ARG HG3 H 1 1.42 0.02 . 2 . . . A 20 ARG HG3 . 19749 1 132 . 1 1 20 20 ARG HD2 H 1 3.17 0.02 . 2 . . . A 20 ARG HD2 . 19749 1 133 . 1 1 20 20 ARG HD3 H 1 3.17 0.02 . 2 . . . A 20 ARG HD3 . 19749 1 134 . 1 1 20 20 ARG HE H 1 7.41 0.02 . 1 . . . A 20 ARG HE . 19749 1 135 . 1 1 20 20 ARG C C 13 178.2 0.2 . 1 . . . A 20 ARG C . 19749 1 136 . 1 1 20 20 ARG CA C 13 60.6 0.2 . 1 . . . A 20 ARG CA . 19749 1 137 . 1 1 20 20 ARG CB C 13 30.1 0.2 . 1 . . . A 20 ARG CB . 19749 1 138 . 1 1 20 20 ARG CG C 13 27 0.2 . 1 . . . A 20 ARG CG . 19749 1 139 . 1 1 20 20 ARG CD C 13 43 0.2 . 1 . . . A 20 ARG CD . 19749 1 140 . 1 1 20 20 ARG N N 15 121.7 0.2 . 1 . . . A 20 ARG N . 19749 1 141 . 1 1 20 20 ARG NE N 15 84.5 0.2 . 1 . . . A 20 ARG NE . 19749 1 142 . 1 1 21 21 ALA H H 1 8.67 0.02 . 1 . . . A 21 ALA H . 19749 1 143 . 1 1 21 21 ALA HA H 1 4.04 0.02 . 1 . . . A 21 ALA HA . 19749 1 144 . 1 1 21 21 ALA HB1 H 1 1.37 0.02 . 1 . . . A 21 ALA HB . 19749 1 145 . 1 1 21 21 ALA HB2 H 1 1.37 0.02 . 1 . . . A 21 ALA HB . 19749 1 146 . 1 1 21 21 ALA HB3 H 1 1.37 0.02 . 1 . . . A 21 ALA HB . 19749 1 147 . 1 1 21 21 ALA C C 13 180.6 0.2 . 1 . . . A 21 ALA C . 19749 1 148 . 1 1 21 21 ALA CA C 13 55.2 0.2 . 1 . . . A 21 ALA CA . 19749 1 149 . 1 1 21 21 ALA CB C 13 18.3 0.2 . 1 . . . A 21 ALA CB . 19749 1 150 . 1 1 21 21 ALA N N 15 119.9 0.2 . 1 . . . A 21 ALA N . 19749 1 151 . 1 1 22 22 ALA H H 1 7.89 0.02 . 1 . . . A 22 ALA H . 19749 1 152 . 1 1 22 22 ALA HA H 1 4.13 0.02 . 1 . . . A 22 ALA HA . 19749 1 153 . 1 1 22 22 ALA HB1 H 1 1.45 0.02 . 1 . . . A 22 ALA HB . 19749 1 154 . 1 1 22 22 ALA HB2 H 1 1.45 0.02 . 1 . . . A 22 ALA HB . 19749 1 155 . 1 1 22 22 ALA HB3 H 1 1.45 0.02 . 1 . . . A 22 ALA HB . 19749 1 156 . 1 1 22 22 ALA C C 13 180.9 0.2 . 1 . . . A 22 ALA C . 19749 1 157 . 1 1 22 22 ALA CA C 13 54.7 0.2 . 1 . . . A 22 ALA CA . 19749 1 158 . 1 1 22 22 ALA CB C 13 19 0.2 . 1 . . . A 22 ALA CB . 19749 1 159 . 1 1 22 22 ALA N N 15 121 0.2 . 1 . . . A 22 ALA N . 19749 1 160 . 1 1 23 23 ALA H H 1 8.57 0.02 . 1 . . . A 23 ALA H . 19749 1 161 . 1 1 23 23 ALA HA H 1 3.88 0.02 . 1 . . . A 23 ALA HA . 19749 1 162 . 1 1 23 23 ALA HB1 H 1 1.45 0.02 . 1 . . . A 23 ALA HB . 19749 1 163 . 1 1 23 23 ALA HB2 H 1 1.45 0.02 . 1 . . . A 23 ALA HB . 19749 1 164 . 1 1 23 23 ALA HB3 H 1 1.45 0.02 . 1 . . . A 23 ALA HB . 19749 1 165 . 1 1 23 23 ALA C C 13 178.7 0.2 . 1 . . . A 23 ALA C . 19749 1 166 . 1 1 23 23 ALA CA C 13 55.1 0.2 . 1 . . . A 23 ALA CA . 19749 1 167 . 1 1 23 23 ALA CB C 13 19.2 0.2 . 1 . . . A 23 ALA CB . 19749 1 168 . 1 1 23 23 ALA N N 15 121.7 0.2 . 1 . . . A 23 ALA N . 19749 1 169 . 1 1 24 24 GLU H H 1 8.2 0.02 . 1 . . . A 24 GLU H . 19749 1 170 . 1 1 24 24 GLU HA H 1 3.76 0.02 . 1 . . . A 24 GLU HA . 19749 1 171 . 1 1 24 24 GLU HB2 H 1 2.06 0.02 . 2 . . . A 24 GLU HB2 . 19749 1 172 . 1 1 24 24 GLU HB3 H 1 2.06 0.02 . 2 . . . A 24 GLU HB3 . 19749 1 173 . 1 1 24 24 GLU HG2 H 1 2.67 0.02 . 2 . . . A 24 GLU HG2 . 19749 1 174 . 1 1 24 24 GLU HG3 H 1 2.03 0.02 . 2 . . . A 24 GLU HG3 . 19749 1 175 . 1 1 24 24 GLU C C 13 178.9 0.2 . 1 . . . A 24 GLU C . 19749 1 176 . 1 1 24 24 GLU CA C 13 60.5 0.2 . 1 . . . A 24 GLU CA . 19749 1 177 . 1 1 24 24 GLU CB C 13 28.5 0.2 . 1 . . . A 24 GLU CB . 19749 1 178 . 1 1 24 24 GLU CG C 13 37.3 0.2 . 1 . . . A 24 GLU CG . 19749 1 179 . 1 1 24 24 GLU N N 15 116.5 0.2 . 1 . . . A 24 GLU N . 19749 1 180 . 1 1 25 25 GLU H H 1 7.69 0.02 . 1 . . . A 25 GLU H . 19749 1 181 . 1 1 25 25 GLU HA H 1 4.06 0.02 . 1 . . . A 25 GLU HA . 19749 1 182 . 1 1 25 25 GLU HB2 H 1 2.05 0.02 . 2 . . . A 25 GLU HB2 . 19749 1 183 . 1 1 25 25 GLU HB3 H 1 2.05 0.02 . 2 . . . A 25 GLU HB3 . 19749 1 184 . 1 1 25 25 GLU HG2 H 1 2.33 0.02 . 2 . . . A 25 GLU HG2 . 19749 1 185 . 1 1 25 25 GLU HG3 H 1 2.19 0.02 . 2 . . . A 25 GLU HG3 . 19749 1 186 . 1 1 25 25 GLU C C 13 178.4 0.2 . 1 . . . A 25 GLU C . 19749 1 187 . 1 1 25 25 GLU CA C 13 59.4 0.2 . 1 . . . A 25 GLU CA . 19749 1 188 . 1 1 25 25 GLU CB C 13 29.5 0.2 . 1 . . . A 25 GLU CB . 19749 1 189 . 1 1 25 25 GLU CG C 13 36.2 0.2 . 1 . . . A 25 GLU CG . 19749 1 190 . 1 1 25 25 GLU N N 15 120 0.2 . 1 . . . A 25 GLU N . 19749 1 191 . 1 1 26 26 LEU H H 1 7.84 0.02 . 1 . . . A 26 LEU H . 19749 1 192 . 1 1 26 26 LEU HA H 1 3.91 0.02 . 1 . . . A 26 LEU HA . 19749 1 193 . 1 1 26 26 LEU HB2 H 1 1.65 0.02 . 2 . . . A 26 LEU HB2 . 19749 1 194 . 1 1 26 26 LEU HB3 H 1 1.42 0.02 . 2 . . . A 26 LEU HB3 . 19749 1 195 . 1 1 26 26 LEU HG H 1 1.65 0.02 . 1 . . . A 26 LEU HG . 19749 1 196 . 1 1 26 26 LEU HD11 H 1 0.71 0.02 . 2 . . . A 26 LEU HD1 . 19749 1 197 . 1 1 26 26 LEU HD12 H 1 0.71 0.02 . 2 . . . A 26 LEU HD1 . 19749 1 198 . 1 1 26 26 LEU HD13 H 1 0.71 0.02 . 2 . . . A 26 LEU HD1 . 19749 1 199 . 1 1 26 26 LEU HD21 H 1 0.65 0.02 . 2 . . . A 26 LEU HD2 . 19749 1 200 . 1 1 26 26 LEU HD22 H 1 0.65 0.02 . 2 . . . A 26 LEU HD2 . 19749 1 201 . 1 1 26 26 LEU HD23 H 1 0.65 0.02 . 2 . . . A 26 LEU HD2 . 19749 1 202 . 1 1 26 26 LEU C C 13 180.2 0.2 . 1 . . . A 26 LEU C . 19749 1 203 . 1 1 26 26 LEU CA C 13 58.2 0.2 . 1 . . . A 26 LEU CA . 19749 1 204 . 1 1 26 26 LEU CB C 13 42.4 0.2 . 1 . . . A 26 LEU CB . 19749 1 205 . 1 1 26 26 LEU CG C 13 27.2 0.2 . 1 . . . A 26 LEU CG . 19749 1 206 . 1 1 26 26 LEU CD1 C 13 24.7 0.2 . 2 . . . A 26 LEU CD1 . 19749 1 207 . 1 1 26 26 LEU CD2 C 13 23.9 0.2 . 2 . . . A 26 LEU CD2 . 19749 1 208 . 1 1 26 26 LEU N N 15 120.2 0.2 . 1 . . . A 26 LEU N . 19749 1 209 . 1 1 27 27 LEU H H 1 7.96 0.02 . 1 . . . A 27 LEU H . 19749 1 210 . 1 1 27 27 LEU HA H 1 3.98 0.02 . 1 . . . A 27 LEU HA . 19749 1 211 . 1 1 27 27 LEU HB2 H 1 1.75 0.02 . 2 . . . A 27 LEU HB2 . 19749 1 212 . 1 1 27 27 LEU HB3 H 1 1.31 0.02 . 2 . . . A 27 LEU HB3 . 19749 1 213 . 1 1 27 27 LEU HG H 1 1.65 0.02 . 1 . . . A 27 LEU HG . 19749 1 214 . 1 1 27 27 LEU HD11 H 1 0.73 0.02 . 2 . . . A 27 LEU HD1 . 19749 1 215 . 1 1 27 27 LEU HD12 H 1 0.73 0.02 . 2 . . . A 27 LEU HD1 . 19749 1 216 . 1 1 27 27 LEU HD13 H 1 0.73 0.02 . 2 . . . A 27 LEU HD1 . 19749 1 217 . 1 1 27 27 LEU HD21 H 1 0.5 0.02 . 2 . . . A 27 LEU HD2 . 19749 1 218 . 1 1 27 27 LEU HD22 H 1 0.5 0.02 . 2 . . . A 27 LEU HD2 . 19749 1 219 . 1 1 27 27 LEU HD23 H 1 0.5 0.02 . 2 . . . A 27 LEU HD2 . 19749 1 220 . 1 1 27 27 LEU C C 13 177.8 0.2 . 1 . . . A 27 LEU C . 19749 1 221 . 1 1 27 27 LEU CA C 13 57.6 0.2 . 1 . . . A 27 LEU CA . 19749 1 222 . 1 1 27 27 LEU CB C 13 41.9 0.2 . 1 . . . A 27 LEU CB . 19749 1 223 . 1 1 27 27 LEU CG C 13 27.2 0.2 . 1 . . . A 27 LEU CG . 19749 1 224 . 1 1 27 27 LEU CD1 C 13 26.8 0.2 . 2 . . . A 27 LEU CD1 . 19749 1 225 . 1 1 27 27 LEU CD2 C 13 28 0.2 . 2 . . . A 27 LEU CD2 . 19749 1 226 . 1 1 27 27 LEU N N 15 117.8 0.2 . 1 . . . A 27 LEU N . 19749 1 227 . 1 1 28 28 ALA H H 1 8.16 0.02 . 1 . . . A 28 ALA H . 19749 1 228 . 1 1 28 28 ALA HA H 1 3.9 0.02 . 1 . . . A 28 ALA HA . 19749 1 229 . 1 1 28 28 ALA HB1 H 1 1.43 0.02 . 1 . . . A 28 ALA HB . 19749 1 230 . 1 1 28 28 ALA HB2 H 1 1.43 0.02 . 1 . . . A 28 ALA HB . 19749 1 231 . 1 1 28 28 ALA HB3 H 1 1.43 0.02 . 1 . . . A 28 ALA HB . 19749 1 232 . 1 1 28 28 ALA C C 13 180.9 0.2 . 1 . . . A 28 ALA C . 19749 1 233 . 1 1 28 28 ALA CA C 13 55.2 0.2 . 1 . . . A 28 ALA CA . 19749 1 234 . 1 1 28 28 ALA CB C 13 17.9 0.2 . 1 . . . A 28 ALA CB . 19749 1 235 . 1 1 28 28 ALA N N 15 120.6 0.2 . 1 . . . A 28 ALA N . 19749 1 236 . 1 1 29 29 ARG H H 1 7.76 0.02 . 1 . . . A 29 ARG H . 19749 1 237 . 1 1 29 29 ARG HA H 1 3.96 0.02 . 1 . . . A 29 ARG HA . 19749 1 238 . 1 1 29 29 ARG HB2 H 1 1.89 0.02 . 2 . . . A 29 ARG HB2 . 19749 1 239 . 1 1 29 29 ARG HB3 H 1 1.89 0.02 . 2 . . . A 29 ARG HB3 . 19749 1 240 . 1 1 29 29 ARG HG2 H 1 1.82 0.02 . 2 . . . A 29 ARG HG2 . 19749 1 241 . 1 1 29 29 ARG HG3 H 1 1.66 0.02 . 2 . . . A 29 ARG HG3 . 19749 1 242 . 1 1 29 29 ARG HD2 H 1 3.18 0.02 . 2 . . . A 29 ARG HD2 . 19749 1 243 . 1 1 29 29 ARG HD3 H 1 3.18 0.02 . 2 . . . A 29 ARG HD3 . 19749 1 244 . 1 1 29 29 ARG C C 13 178 0.2 . 1 . . . A 29 ARG C . 19749 1 245 . 1 1 29 29 ARG CA C 13 58.6 0.2 . 1 . . . A 29 ARG CA . 19749 1 246 . 1 1 29 29 ARG CB C 13 30.3 0.2 . 1 . . . A 29 ARG CB . 19749 1 247 . 1 1 29 29 ARG CG C 13 27.7 0.2 . 1 . . . A 29 ARG CG . 19749 1 248 . 1 1 29 29 ARG CD C 13 43.7 0.2 . 1 . . . A 29 ARG CD . 19749 1 249 . 1 1 29 29 ARG N N 15 116.2 0.2 . 1 . . . A 29 ARG N . 19749 1 250 . 1 1 30 30 ALA H H 1 7.58 0.02 . 1 . . . A 30 ALA H . 19749 1 251 . 1 1 30 30 ALA HA H 1 4.2 0.02 . 1 . . . A 30 ALA HA . 19749 1 252 . 1 1 30 30 ALA HB1 H 1 1.66 0.02 . 1 . . . A 30 ALA HB . 19749 1 253 . 1 1 30 30 ALA HB2 H 1 1.66 0.02 . 1 . . . A 30 ALA HB . 19749 1 254 . 1 1 30 30 ALA HB3 H 1 1.66 0.02 . 1 . . . A 30 ALA HB . 19749 1 255 . 1 1 30 30 ALA C C 13 182 0.2 . 1 . . . A 30 ALA C . 19749 1 256 . 1 1 30 30 ALA CA C 13 54.9 0.2 . 1 . . . A 30 ALA CA . 19749 1 257 . 1 1 30 30 ALA CB C 13 18.7 0.2 . 1 . . . A 30 ALA CB . 19749 1 258 . 1 1 30 30 ALA N N 15 123.2 0.2 . 1 . . . A 30 ALA N . 19749 1 259 . 1 1 31 31 GLY H H 1 7.69 0.02 . 1 . . . A 31 GLY H . 19749 1 260 . 1 1 31 31 GLY HA2 H 1 4.02 0.02 . 2 . . . A 31 GLY HA2 . 19749 1 261 . 1 1 31 31 GLY HA3 H 1 3.56 0.02 . 2 . . . A 31 GLY HA3 . 19749 1 262 . 1 1 31 31 GLY C C 13 174.8 0.2 . 1 . . . A 31 GLY C . 19749 1 263 . 1 1 31 31 GLY CA C 13 48.1 0.2 . 1 . . . A 31 GLY CA . 19749 1 264 . 1 1 31 31 GLY N N 15 102.4 0.2 . 1 . . . A 31 GLY N . 19749 1 265 . 1 1 32 32 ARG H H 1 7.04 0.02 . 1 . . . A 32 ARG H . 19749 1 266 . 1 1 32 32 ARG HA H 1 4.46 0.02 . 1 . . . A 32 ARG HA . 19749 1 267 . 1 1 32 32 ARG HB2 H 1 1.81 0.02 . 2 . . . A 32 ARG HB2 . 19749 1 268 . 1 1 32 32 ARG HB3 H 1 1.48 0.02 . 2 . . . A 32 ARG HB3 . 19749 1 269 . 1 1 32 32 ARG HG2 H 1 1.78 0.02 . 2 . . . A 32 ARG HG2 . 19749 1 270 . 1 1 32 32 ARG HG3 H 1 1.72 0.02 . 2 . . . A 32 ARG HG3 . 19749 1 271 . 1 1 32 32 ARG HD2 H 1 3.22 0.02 . 2 . . . A 32 ARG HD2 . 19749 1 272 . 1 1 32 32 ARG HD3 H 1 3.22 0.02 . 2 . . . A 32 ARG HD3 . 19749 1 273 . 1 1 32 32 ARG C C 13 176.5 0.2 . 1 . . . A 32 ARG C . 19749 1 274 . 1 1 32 32 ARG CA C 13 55.4 0.2 . 1 . . . A 32 ARG CA . 19749 1 275 . 1 1 32 32 ARG CB C 13 32.6 0.2 . 1 . . . A 32 ARG CB . 19749 1 276 . 1 1 32 32 ARG CG C 13 27.2 0.2 . 1 . . . A 32 ARG CG . 19749 1 277 . 1 1 32 32 ARG CD C 13 43.6 0.2 . 1 . . . A 32 ARG CD . 19749 1 278 . 1 1 32 32 ARG N N 15 121.1 0.2 . 1 . . . A 32 ARG N . 19749 1 279 . 1 1 33 33 ASP H H 1 9.11 0.02 . 1 . . . A 33 ASP H . 19749 1 280 . 1 1 33 33 ASP HA H 1 4.77 0.02 . 1 . . . A 33 ASP HA . 19749 1 281 . 1 1 33 33 ASP HB2 H 1 2.96 0.02 . 2 . . . A 33 ASP HB2 . 19749 1 282 . 1 1 33 33 ASP HB3 H 1 2.76 0.02 . 2 . . . A 33 ASP HB3 . 19749 1 283 . 1 1 33 33 ASP C C 13 176.8 0.2 . 1 . . . A 33 ASP C . 19749 1 284 . 1 1 33 33 ASP CA C 13 56 0.2 . 1 . . . A 33 ASP CA . 19749 1 285 . 1 1 33 33 ASP CB C 13 41 0.2 . 1 . . . A 33 ASP CB . 19749 1 286 . 1 1 33 33 ASP N N 15 126.1 0.2 . 1 . . . A 33 ASP N . 19749 1 287 . 1 1 34 34 GLY H H 1 9.44 0.02 . 1 . . . A 34 GLY H . 19749 1 288 . 1 1 34 34 GLY HA2 H 1 4.47 0.02 . 2 . . . A 34 GLY HA2 . 19749 1 289 . 1 1 34 34 GLY HA3 H 1 3.8 0.02 . 2 . . . A 34 GLY HA3 . 19749 1 290 . 1 1 34 34 GLY C C 13 175.8 0.2 . 1 . . . A 34 GLY C . 19749 1 291 . 1 1 34 34 GLY CA C 13 46 0.2 . 1 . . . A 34 GLY CA . 19749 1 292 . 1 1 34 34 GLY N N 15 109.4 0.2 . 1 . . . A 34 GLY N . 19749 1 293 . 1 1 35 35 SER H H 1 8.05 0.02 . 1 . . . A 35 SER H . 19749 1 294 . 1 1 35 35 SER HA H 1 5.99 0.02 . 1 . . . A 35 SER HA . 19749 1 295 . 1 1 35 35 SER HB2 H 1 3.93 0.02 . 2 . . . A 35 SER HB2 . 19749 1 296 . 1 1 35 35 SER HB3 H 1 3.81 0.02 . 2 . . . A 35 SER HB3 . 19749 1 297 . 1 1 35 35 SER HG H 1 5.81 0.02 . 1 . . . A 35 SER HG . 19749 1 298 . 1 1 35 35 SER C C 13 173.4 0.2 . 1 . . . A 35 SER C . 19749 1 299 . 1 1 35 35 SER CA C 13 59.8 0.2 . 1 . . . A 35 SER CA . 19749 1 300 . 1 1 35 35 SER CB C 13 63.7 0.2 . 1 . . . A 35 SER CB . 19749 1 301 . 1 1 35 35 SER N N 15 120.4 0.2 . 1 . . . A 35 SER N . 19749 1 302 . 1 1 36 36 PHE H H 1 8.73 0.02 . 1 . . . A 36 PHE H . 19749 1 303 . 1 1 36 36 PHE HA H 1 6.04 0.02 . 1 . . . A 36 PHE HA . 19749 1 304 . 1 1 36 36 PHE HB2 H 1 3.01 0.02 . 2 . . . A 36 PHE HB2 . 19749 1 305 . 1 1 36 36 PHE HB3 H 1 2.8 0.02 . 2 . . . A 36 PHE HB3 . 19749 1 306 . 1 1 36 36 PHE HD1 H 1 7.36 0.02 . 3 . . . A 36 PHE HD1 . 19749 1 307 . 1 1 36 36 PHE HD2 H 1 7.36 0.02 . 3 . . . A 36 PHE HD2 . 19749 1 308 . 1 1 36 36 PHE HE1 H 1 6.54 0.02 . 3 . . . A 36 PHE HE1 . 19749 1 309 . 1 1 36 36 PHE HE2 H 1 6.54 0.02 . 3 . . . A 36 PHE HE2 . 19749 1 310 . 1 1 36 36 PHE C C 13 170.9 0.2 . 1 . . . A 36 PHE C . 19749 1 311 . 1 1 36 36 PHE CA C 13 56.3 0.2 . 1 . . . A 36 PHE CA . 19749 1 312 . 1 1 36 36 PHE CB C 13 44.4 0.2 . 1 . . . A 36 PHE CB . 19749 1 313 . 1 1 36 36 PHE CD1 C 13 132.3 0.2 . 3 . . . A 36 PHE CD1 . 19749 1 314 . 1 1 36 36 PHE CD2 C 13 132.3 0.2 . 3 . . . A 36 PHE CD2 . 19749 1 315 . 1 1 36 36 PHE N N 15 122 0.2 . 1 . . . A 36 PHE N . 19749 1 316 . 1 1 37 37 LEU H H 1 9 0.02 . 1 . . . A 37 LEU H . 19749 1 317 . 1 1 37 37 LEU HA H 1 5.05 0.02 . 1 . . . A 37 LEU HA . 19749 1 318 . 1 1 37 37 LEU HB2 H 1 2.49 0.02 . 2 . . . A 37 LEU HB2 . 19749 1 319 . 1 1 37 37 LEU HB3 H 1 1.87 0.02 . 2 . . . A 37 LEU HB3 . 19749 1 320 . 1 1 37 37 LEU HG H 1 1.69 0.02 . 1 . . . A 37 LEU HG . 19749 1 321 . 1 1 37 37 LEU HD11 H 1 0.78 0.02 . 2 . . . A 37 LEU HD1 . 19749 1 322 . 1 1 37 37 LEU HD12 H 1 0.78 0.02 . 2 . . . A 37 LEU HD1 . 19749 1 323 . 1 1 37 37 LEU HD13 H 1 0.78 0.02 . 2 . . . A 37 LEU HD1 . 19749 1 324 . 1 1 37 37 LEU HD21 H 1 0.5 0.02 . 2 . . . A 37 LEU HD2 . 19749 1 325 . 1 1 37 37 LEU HD22 H 1 0.5 0.02 . 2 . . . A 37 LEU HD2 . 19749 1 326 . 1 1 37 37 LEU HD23 H 1 0.5 0.02 . 2 . . . A 37 LEU HD2 . 19749 1 327 . 1 1 37 37 LEU C C 13 175.1 0.2 . 1 . . . A 37 LEU C . 19749 1 328 . 1 1 37 37 LEU CA C 13 54.5 0.2 . 1 . . . A 37 LEU CA . 19749 1 329 . 1 1 37 37 LEU CB C 13 45.2 0.2 . 1 . . . A 37 LEU CB . 19749 1 330 . 1 1 37 37 LEU CG C 13 26.2 0.2 . 1 . . . A 37 LEU CG . 19749 1 331 . 1 1 37 37 LEU CD1 C 13 25.2 0.2 . 2 . . . A 37 LEU CD1 . 19749 1 332 . 1 1 37 37 LEU CD2 C 13 27.9 0.2 . 2 . . . A 37 LEU CD2 . 19749 1 333 . 1 1 37 37 LEU N N 15 112.5 0.2 . 1 . . . A 37 LEU N . 19749 1 334 . 1 1 38 38 VAL H H 1 9.83 0.02 . 1 . . . A 38 VAL H . 19749 1 335 . 1 1 38 38 VAL HA H 1 5.48 0.02 . 1 . . . A 38 VAL HA . 19749 1 336 . 1 1 38 38 VAL HB H 1 2.33 0.02 . 1 . . . A 38 VAL HB . 19749 1 337 . 1 1 38 38 VAL HG11 H 1 1.19 0.02 . 2 . . . A 38 VAL HG1 . 19749 1 338 . 1 1 38 38 VAL HG12 H 1 1.19 0.02 . 2 . . . A 38 VAL HG1 . 19749 1 339 . 1 1 38 38 VAL HG13 H 1 1.19 0.02 . 2 . . . A 38 VAL HG1 . 19749 1 340 . 1 1 38 38 VAL HG21 H 1 1.07 0.02 . 2 . . . A 38 VAL HG2 . 19749 1 341 . 1 1 38 38 VAL HG22 H 1 1.07 0.02 . 2 . . . A 38 VAL HG2 . 19749 1 342 . 1 1 38 38 VAL HG23 H 1 1.07 0.02 . 2 . . . A 38 VAL HG2 . 19749 1 343 . 1 1 38 38 VAL C C 13 173.6 0.2 . 1 . . . A 38 VAL C . 19749 1 344 . 1 1 38 38 VAL CA C 13 61.2 0.2 . 1 . . . A 38 VAL CA . 19749 1 345 . 1 1 38 38 VAL CB C 13 35.2 0.2 . 1 . . . A 38 VAL CB . 19749 1 346 . 1 1 38 38 VAL CG1 C 13 23.4 0.2 . 2 . . . A 38 VAL CG1 . 19749 1 347 . 1 1 38 38 VAL CG2 C 13 24.2 0.2 . 2 . . . A 38 VAL CG2 . 19749 1 348 . 1 1 38 38 VAL N N 15 120.2 0.2 . 1 . . . A 38 VAL N . 19749 1 349 . 1 1 39 39 ARG H H 1 9.24 0.02 . 1 . . . A 39 ARG H . 19749 1 350 . 1 1 39 39 ARG HA H 1 5.52 0.02 . 1 . . . A 39 ARG HA . 19749 1 351 . 1 1 39 39 ARG HB2 H 1 2.42 0.02 . 2 . . . A 39 ARG HB2 . 19749 1 352 . 1 1 39 39 ARG HB3 H 1 1.49 0.02 . 2 . . . A 39 ARG HB3 . 19749 1 353 . 1 1 39 39 ARG HG2 H 1 1.69 0.02 . 2 . . . A 39 ARG HG2 . 19749 1 354 . 1 1 39 39 ARG HG3 H 1 1.69 0.02 . 2 . . . A 39 ARG HG3 . 19749 1 355 . 1 1 39 39 ARG HD2 H 1 3.22 0.02 . 2 . . . A 39 ARG HD2 . 19749 1 356 . 1 1 39 39 ARG HD3 H 1 2.78 0.02 . 2 . . . A 39 ARG HD3 . 19749 1 357 . 1 1 39 39 ARG HE H 1 6.65 0.02 . 1 . . . A 39 ARG HE . 19749 1 358 . 1 1 39 39 ARG C C 13 174.7 0.2 . 1 . . . A 39 ARG C . 19749 1 359 . 1 1 39 39 ARG CA C 13 52.8 0.2 . 1 . . . A 39 ARG CA . 19749 1 360 . 1 1 39 39 ARG CB C 13 34.2 0.2 . 1 . . . A 39 ARG CB . 19749 1 361 . 1 1 39 39 ARG CG C 13 26.6 0.2 . 1 . . . A 39 ARG CG . 19749 1 362 . 1 1 39 39 ARG CD C 13 43.7 0.2 . 1 . . . A 39 ARG CD . 19749 1 363 . 1 1 39 39 ARG N N 15 124 0.2 . 1 . . . A 39 ARG N . 19749 1 364 . 1 1 39 39 ARG NE N 15 82.3 0.2 . 1 . . . A 39 ARG NE . 19749 1 365 . 1 1 40 40 ASP H H 1 9.06 0.02 . 1 . . . A 40 ASP H . 19749 1 366 . 1 1 40 40 ASP HA H 1 4.95 0.02 . 1 . . . A 40 ASP HA . 19749 1 367 . 1 1 40 40 ASP HB2 H 1 2.78 0.02 . 2 . . . A 40 ASP HB2 . 19749 1 368 . 1 1 40 40 ASP HB3 H 1 2.67 0.02 . 2 . . . A 40 ASP HB3 . 19749 1 369 . 1 1 40 40 ASP C C 13 176.5 0.2 . 1 . . . A 40 ASP C . 19749 1 370 . 1 1 40 40 ASP CA C 13 55.9 0.2 . 1 . . . A 40 ASP CA . 19749 1 371 . 1 1 40 40 ASP CB C 13 40.9 0.2 . 1 . . . A 40 ASP CB . 19749 1 372 . 1 1 40 40 ASP N N 15 122.8 0.2 . 1 . . . A 40 ASP N . 19749 1 373 . 1 1 41 41 SER H H 1 7.87 0.02 . 1 . . . A 41 SER H . 19749 1 374 . 1 1 41 41 SER HA H 1 4.2 0.02 . 1 . . . A 41 SER HA . 19749 1 375 . 1 1 41 41 SER HB2 H 1 3.91 0.02 . 2 . . . A 41 SER HB2 . 19749 1 376 . 1 1 41 41 SER HB3 H 1 3.6 0.02 . 2 . . . A 41 SER HB3 . 19749 1 377 . 1 1 41 41 SER C C 13 175.7 0.2 . 1 . . . A 41 SER C . 19749 1 378 . 1 1 41 41 SER CA C 13 58.4 0.2 . 1 . . . A 41 SER CA . 19749 1 379 . 1 1 41 41 SER CB C 13 63.9 0.2 . 1 . . . A 41 SER CB . 19749 1 380 . 1 1 41 41 SER N N 15 113.6 0.2 . 1 . . . A 41 SER N . 19749 1 381 . 1 1 42 42 GLU H H 1 9.6 0.02 . 1 . . . A 42 GLU H . 19749 1 382 . 1 1 42 42 GLU HA H 1 4.39 0.02 . 1 . . . A 42 GLU HA . 19749 1 383 . 1 1 42 42 GLU HB2 H 1 2.15 0.02 . 2 . . . A 42 GLU HB2 . 19749 1 384 . 1 1 42 42 GLU HB3 H 1 2.15 0.02 . 2 . . . A 42 GLU HB3 . 19749 1 385 . 1 1 42 42 GLU HG2 H 1 2.48 0.02 . 2 . . . A 42 GLU HG2 . 19749 1 386 . 1 1 42 42 GLU HG3 H 1 2.34 0.02 . 2 . . . A 42 GLU HG3 . 19749 1 387 . 1 1 42 42 GLU C C 13 176.5 0.2 . 1 . . . A 42 GLU C . 19749 1 388 . 1 1 42 42 GLU CA C 13 57.7 0.2 . 1 . . . A 42 GLU CA . 19749 1 389 . 1 1 42 42 GLU CB C 13 29.5 0.2 . 1 . . . A 42 GLU CB . 19749 1 390 . 1 1 42 42 GLU CG C 13 36.5 0.2 . 1 . . . A 42 GLU CG . 19749 1 391 . 1 1 42 42 GLU N N 15 127.2 0.2 . 1 . . . A 42 GLU N . 19749 1 392 . 1 1 43 43 SER H H 1 8.11 0.02 . 1 . . . A 43 SER H . 19749 1 393 . 1 1 43 43 SER HA H 1 4.59 0.02 . 1 . . . A 43 SER HA . 19749 1 394 . 1 1 43 43 SER HB2 H 1 3.78 0.02 . 2 . . . A 43 SER HB2 . 19749 1 395 . 1 1 43 43 SER HB3 H 1 3.78 0.02 . 2 . . . A 43 SER HB3 . 19749 1 396 . 1 1 43 43 SER HG H 1 5.75 0.02 . 1 . . . A 43 SER HG . 19749 1 397 . 1 1 43 43 SER C C 13 174 0.2 . 1 . . . A 43 SER C . 19749 1 398 . 1 1 43 43 SER CA C 13 59.4 0.2 . 1 . . . A 43 SER CA . 19749 1 399 . 1 1 43 43 SER CB C 13 65.1 0.2 . 1 . . . A 43 SER CB . 19749 1 400 . 1 1 43 43 SER N N 15 113.4 0.2 . 1 . . . A 43 SER N . 19749 1 401 . 1 1 44 44 VAL H H 1 7.62 0.02 . 1 . . . A 44 VAL H . 19749 1 402 . 1 1 44 44 VAL HA H 1 4.14 0.02 . 1 . . . A 44 VAL HA . 19749 1 403 . 1 1 44 44 VAL HB H 1 1.85 0.02 . 1 . . . A 44 VAL HB . 19749 1 404 . 1 1 44 44 VAL HG11 H 1 0.84 0.02 . 2 . . . A 44 VAL HG1 . 19749 1 405 . 1 1 44 44 VAL HG12 H 1 0.84 0.02 . 2 . . . A 44 VAL HG1 . 19749 1 406 . 1 1 44 44 VAL HG13 H 1 0.84 0.02 . 2 . . . A 44 VAL HG1 . 19749 1 407 . 1 1 44 44 VAL HG21 H 1 0.84 0.02 . 2 . . . A 44 VAL HG2 . 19749 1 408 . 1 1 44 44 VAL HG22 H 1 0.84 0.02 . 2 . . . A 44 VAL HG2 . 19749 1 409 . 1 1 44 44 VAL HG23 H 1 0.84 0.02 . 2 . . . A 44 VAL HG2 . 19749 1 410 . 1 1 44 44 VAL C C 13 174.8 0.2 . 1 . . . A 44 VAL C . 19749 1 411 . 1 1 44 44 VAL CA C 13 61.7 0.2 . 1 . . . A 44 VAL CA . 19749 1 412 . 1 1 44 44 VAL CB C 13 33.7 0.2 . 1 . . . A 44 VAL CB . 19749 1 413 . 1 1 44 44 VAL CG1 C 13 21.1 0.2 . 2 . . . A 44 VAL CG1 . 19749 1 414 . 1 1 44 44 VAL CG2 C 13 21.1 0.2 . 2 . . . A 44 VAL CG2 . 19749 1 415 . 1 1 44 44 VAL N N 15 123.2 0.2 . 1 . . . A 44 VAL N . 19749 1 416 . 1 1 45 45 ALA H H 1 8.48 0.02 . 1 . . . A 45 ALA H . 19749 1 417 . 1 1 45 45 ALA HA H 1 4.15 0.02 . 1 . . . A 45 ALA HA . 19749 1 418 . 1 1 45 45 ALA HB1 H 1 1.34 0.02 . 1 . . . A 45 ALA HB . 19749 1 419 . 1 1 45 45 ALA HB2 H 1 1.34 0.02 . 1 . . . A 45 ALA HB . 19749 1 420 . 1 1 45 45 ALA HB3 H 1 1.34 0.02 . 1 . . . A 45 ALA HB . 19749 1 421 . 1 1 45 45 ALA C C 13 178.7 0.2 . 1 . . . A 45 ALA C . 19749 1 422 . 1 1 45 45 ALA CA C 13 53.7 0.2 . 1 . . . A 45 ALA CA . 19749 1 423 . 1 1 45 45 ALA CB C 13 18.1 0.2 . 1 . . . A 45 ALA CB . 19749 1 424 . 1 1 45 45 ALA N N 15 130.9 0.2 . 1 . . . A 45 ALA N . 19749 1 425 . 1 1 46 46 GLY H H 1 8.6 0.02 . 1 . . . A 46 GLY H . 19749 1 426 . 1 1 46 46 GLY HA2 H 1 4.06 0.02 . 2 . . . A 46 GLY HA2 . 19749 1 427 . 1 1 46 46 GLY HA3 H 1 3.47 0.02 . 2 . . . A 46 GLY HA3 . 19749 1 428 . 1 1 46 46 GLY C C 13 171.7 0.2 . 1 . . . A 46 GLY C . 19749 1 429 . 1 1 46 46 GLY CA C 13 45.4 0.2 . 1 . . . A 46 GLY CA . 19749 1 430 . 1 1 46 46 GLY N N 15 111.4 0.2 . 1 . . . A 46 GLY N . 19749 1 431 . 1 1 47 47 ALA H H 1 7.34 0.02 . 1 . . . A 47 ALA H . 19749 1 432 . 1 1 47 47 ALA HA H 1 4.88 0.02 . 1 . . . A 47 ALA HA . 19749 1 433 . 1 1 47 47 ALA HB1 H 1 1.55 0.02 . 1 . . . A 47 ALA HB . 19749 1 434 . 1 1 47 47 ALA HB2 H 1 1.55 0.02 . 1 . . . A 47 ALA HB . 19749 1 435 . 1 1 47 47 ALA HB3 H 1 1.55 0.02 . 1 . . . A 47 ALA HB . 19749 1 436 . 1 1 47 47 ALA C C 13 177.2 0.2 . 1 . . . A 47 ALA C . 19749 1 437 . 1 1 47 47 ALA CA C 13 49.8 0.2 . 1 . . . A 47 ALA CA . 19749 1 438 . 1 1 47 47 ALA CB C 13 21.7 0.2 . 1 . . . A 47 ALA CB . 19749 1 439 . 1 1 47 47 ALA N N 15 117.6 0.2 . 1 . . . A 47 ALA N . 19749 1 440 . 1 1 48 48 PHE H H 1 9.16 0.02 . 1 . . . A 48 PHE H . 19749 1 441 . 1 1 48 48 PHE HA H 1 5.37 0.02 . 1 . . . A 48 PHE HA . 19749 1 442 . 1 1 48 48 PHE HB2 H 1 3.28 0.02 . 2 . . . A 48 PHE HB2 . 19749 1 443 . 1 1 48 48 PHE HB3 H 1 2.67 0.02 . 2 . . . A 48 PHE HB3 . 19749 1 444 . 1 1 48 48 PHE HD1 H 1 7.03 0.02 . 3 . . . A 48 PHE HD1 . 19749 1 445 . 1 1 48 48 PHE HD2 H 1 7.03 0.02 . 3 . . . A 48 PHE HD2 . 19749 1 446 . 1 1 48 48 PHE C C 13 174.1 0.2 . 1 . . . A 48 PHE C . 19749 1 447 . 1 1 48 48 PHE CA C 13 56.5 0.2 . 1 . . . A 48 PHE CA . 19749 1 448 . 1 1 48 48 PHE CB C 13 43.9 0.2 . 1 . . . A 48 PHE CB . 19749 1 449 . 1 1 48 48 PHE N N 15 117.1 0.2 . 1 . . . A 48 PHE N . 19749 1 450 . 1 1 49 49 ALA H H 1 9.63 0.02 . 1 . . . A 49 ALA H . 19749 1 451 . 1 1 49 49 ALA HA H 1 5.19 0.02 . 1 . . . A 49 ALA HA . 19749 1 452 . 1 1 49 49 ALA HB1 H 1 1.23 0.02 . 1 . . . A 49 ALA HB . 19749 1 453 . 1 1 49 49 ALA HB2 H 1 1.23 0.02 . 1 . . . A 49 ALA HB . 19749 1 454 . 1 1 49 49 ALA HB3 H 1 1.23 0.02 . 1 . . . A 49 ALA HB . 19749 1 455 . 1 1 49 49 ALA C C 13 174.9 0.2 . 1 . . . A 49 ALA C . 19749 1 456 . 1 1 49 49 ALA CA C 13 51.2 0.2 . 1 . . . A 49 ALA CA . 19749 1 457 . 1 1 49 49 ALA CB C 13 20.4 0.2 . 1 . . . A 49 ALA CB . 19749 1 458 . 1 1 49 49 ALA N N 15 125.6 0.2 . 1 . . . A 49 ALA N . 19749 1 459 . 1 1 50 50 LEU H H 1 9.35 0.02 . 1 . . . A 50 LEU H . 19749 1 460 . 1 1 50 50 LEU HA H 1 5.07 0.02 . 1 . . . A 50 LEU HA . 19749 1 461 . 1 1 50 50 LEU HB2 H 1 2.06 0.02 . 2 . . . A 50 LEU HB2 . 19749 1 462 . 1 1 50 50 LEU HB3 H 1 1.34 0.02 . 2 . . . A 50 LEU HB3 . 19749 1 463 . 1 1 50 50 LEU HG H 1 1.53 0.02 . 1 . . . A 50 LEU HG . 19749 1 464 . 1 1 50 50 LEU HD11 H 1 0.73 0.02 . 2 . . . A 50 LEU HD1 . 19749 1 465 . 1 1 50 50 LEU HD12 H 1 0.73 0.02 . 2 . . . A 50 LEU HD1 . 19749 1 466 . 1 1 50 50 LEU HD13 H 1 0.73 0.02 . 2 . . . A 50 LEU HD1 . 19749 1 467 . 1 1 50 50 LEU HD21 H 1 0.41 0.02 . 2 . . . A 50 LEU HD2 . 19749 1 468 . 1 1 50 50 LEU HD22 H 1 0.41 0.02 . 2 . . . A 50 LEU HD2 . 19749 1 469 . 1 1 50 50 LEU HD23 H 1 0.41 0.02 . 2 . . . A 50 LEU HD2 . 19749 1 470 . 1 1 50 50 LEU C C 13 174.5 0.2 . 1 . . . A 50 LEU C . 19749 1 471 . 1 1 50 50 LEU CA C 13 54 0.2 . 1 . . . A 50 LEU CA . 19749 1 472 . 1 1 50 50 LEU CB C 13 43.9 0.2 . 1 . . . A 50 LEU CB . 19749 1 473 . 1 1 50 50 LEU CG C 13 27.8 0.2 . 1 . . . A 50 LEU CG . 19749 1 474 . 1 1 50 50 LEU CD1 C 13 23.6 0.2 . 2 . . . A 50 LEU CD1 . 19749 1 475 . 1 1 50 50 LEU CD2 C 13 25.7 0.2 . 2 . . . A 50 LEU CD2 . 19749 1 476 . 1 1 50 50 LEU N N 15 127.1 0.2 . 1 . . . A 50 LEU N . 19749 1 477 . 1 1 51 51 CYS H H 1 9.3 0.02 . 1 . . . A 51 CYS H . 19749 1 478 . 1 1 51 51 CYS HA H 1 5.41 0.02 . 1 . . . A 51 CYS HA . 19749 1 479 . 1 1 51 51 CYS HB2 H 1 2.78 0.02 . 2 . . . A 51 CYS HB2 . 19749 1 480 . 1 1 51 51 CYS HB3 H 1 2.53 0.02 . 2 . . . A 51 CYS HB3 . 19749 1 481 . 1 1 51 51 CYS C C 13 173 0.2 . 1 . . . A 51 CYS C . 19749 1 482 . 1 1 51 51 CYS CA C 13 57.2 0.2 . 1 . . . A 51 CYS CA . 19749 1 483 . 1 1 51 51 CYS CB C 13 30.4 0.2 . 1 . . . A 51 CYS CB . 19749 1 484 . 1 1 51 51 CYS N N 15 127.3 0.2 . 1 . . . A 51 CYS N . 19749 1 485 . 1 1 52 52 VAL H H 1 9.46 0.02 . 1 . . . A 52 VAL H . 19749 1 486 . 1 1 52 52 VAL HA H 1 5.16 0.02 . 1 . . . A 52 VAL HA . 19749 1 487 . 1 1 52 52 VAL HB H 1 1.98 0.02 . 1 . . . A 52 VAL HB . 19749 1 488 . 1 1 52 52 VAL HG11 H 1 0.93 0.02 . 2 . . . A 52 VAL HG1 . 19749 1 489 . 1 1 52 52 VAL HG12 H 1 0.93 0.02 . 2 . . . A 52 VAL HG1 . 19749 1 490 . 1 1 52 52 VAL HG13 H 1 0.93 0.02 . 2 . . . A 52 VAL HG1 . 19749 1 491 . 1 1 52 52 VAL HG21 H 1 0.91 0.02 . 2 . . . A 52 VAL HG2 . 19749 1 492 . 1 1 52 52 VAL HG22 H 1 0.91 0.02 . 2 . . . A 52 VAL HG2 . 19749 1 493 . 1 1 52 52 VAL HG23 H 1 0.91 0.02 . 2 . . . A 52 VAL HG2 . 19749 1 494 . 1 1 52 52 VAL C C 13 173.8 0.2 . 1 . . . A 52 VAL C . 19749 1 495 . 1 1 52 52 VAL CA C 13 59.9 0.2 . 1 . . . A 52 VAL CA . 19749 1 496 . 1 1 52 52 VAL CB C 13 36.3 0.2 . 1 . . . A 52 VAL CB . 19749 1 497 . 1 1 52 52 VAL CG1 C 13 20.8 0.2 . 2 . . . A 52 VAL CG1 . 19749 1 498 . 1 1 52 52 VAL CG2 C 13 22 0.2 . 2 . . . A 52 VAL CG2 . 19749 1 499 . 1 1 52 52 VAL N N 15 123.1 0.2 . 1 . . . A 52 VAL N . 19749 1 500 . 1 1 53 53 LEU H H 1 9.32 0.02 . 1 . . . A 53 LEU H . 19749 1 501 . 1 1 53 53 LEU HA H 1 4.98 0.02 . 1 . . . A 53 LEU HA . 19749 1 502 . 1 1 53 53 LEU HB2 H 1 2.22 0.02 . 2 . . . A 53 LEU HB2 . 19749 1 503 . 1 1 53 53 LEU HB3 H 1 1.1 0.02 . 2 . . . A 53 LEU HB3 . 19749 1 504 . 1 1 53 53 LEU HG H 1 1.51 0.02 . 1 . . . A 53 LEU HG . 19749 1 505 . 1 1 53 53 LEU HD11 H 1 0.55 0.02 . 2 . . . A 53 LEU HD1 . 19749 1 506 . 1 1 53 53 LEU HD12 H 1 0.55 0.02 . 2 . . . A 53 LEU HD1 . 19749 1 507 . 1 1 53 53 LEU HD13 H 1 0.55 0.02 . 2 . . . A 53 LEU HD1 . 19749 1 508 . 1 1 53 53 LEU HD21 H 1 0.79 0.02 . 2 . . . A 53 LEU HD2 . 19749 1 509 . 1 1 53 53 LEU HD22 H 1 0.79 0.02 . 2 . . . A 53 LEU HD2 . 19749 1 510 . 1 1 53 53 LEU HD23 H 1 0.79 0.02 . 2 . . . A 53 LEU HD2 . 19749 1 511 . 1 1 53 53 LEU C C 13 175.2 0.2 . 1 . . . A 53 LEU C . 19749 1 512 . 1 1 53 53 LEU CA C 13 54 0.2 . 1 . . . A 53 LEU CA . 19749 1 513 . 1 1 53 53 LEU CB C 13 45.3 0.2 . 1 . . . A 53 LEU CB . 19749 1 514 . 1 1 53 53 LEU CG C 13 27 0.2 . 1 . . . A 53 LEU CG . 19749 1 515 . 1 1 53 53 LEU CD1 C 13 23.8 0.2 . 2 . . . A 53 LEU CD1 . 19749 1 516 . 1 1 53 53 LEU CD2 C 13 26.1 0.2 . 2 . . . A 53 LEU CD2 . 19749 1 517 . 1 1 53 53 LEU N N 15 130.7 0.2 . 1 . . . A 53 LEU N . 19749 1 518 . 1 1 54 54 TYR H H 1 9.26 0.02 . 1 . . . A 54 TYR H . 19749 1 519 . 1 1 54 54 TYR HA H 1 4.91 0.02 . 1 . . . A 54 TYR HA . 19749 1 520 . 1 1 54 54 TYR HB2 H 1 3.14 0.02 . 2 . . . A 54 TYR HB2 . 19749 1 521 . 1 1 54 54 TYR HB3 H 1 2.62 0.02 . 2 . . . A 54 TYR HB3 . 19749 1 522 . 1 1 54 54 TYR HD1 H 1 7 0.02 . 3 . . . A 54 TYR HD1 . 19749 1 523 . 1 1 54 54 TYR HD2 H 1 7 0.02 . 3 . . . A 54 TYR HD2 . 19749 1 524 . 1 1 54 54 TYR HE1 H 1 6.81 0.02 . 3 . . . A 54 TYR HE1 . 19749 1 525 . 1 1 54 54 TYR HE2 H 1 6.81 0.02 . 3 . . . A 54 TYR HE2 . 19749 1 526 . 1 1 54 54 TYR C C 13 175.4 0.2 . 1 . . . A 54 TYR C . 19749 1 527 . 1 1 54 54 TYR CA C 13 58.7 0.2 . 1 . . . A 54 TYR CA . 19749 1 528 . 1 1 54 54 TYR CB C 13 41.7 0.2 . 1 . . . A 54 TYR CB . 19749 1 529 . 1 1 54 54 TYR CD1 C 13 132.8 0.2 . 3 . . . A 54 TYR CD1 . 19749 1 530 . 1 1 54 54 TYR CD2 C 13 132.8 0.2 . 3 . . . A 54 TYR CD2 . 19749 1 531 . 1 1 54 54 TYR CE1 C 13 118.7 0.2 . 3 . . . A 54 TYR CE1 . 19749 1 532 . 1 1 54 54 TYR CE2 C 13 118.7 0.2 . 3 . . . A 54 TYR CE2 . 19749 1 533 . 1 1 54 54 TYR N N 15 125.7 0.2 . 1 . . . A 54 TYR N . 19749 1 534 . 1 1 55 55 GLN H H 1 9.75 0.02 . 1 . . . A 55 GLN H . 19749 1 535 . 1 1 55 55 GLN HA H 1 3.7 0.02 . 1 . . . A 55 GLN HA . 19749 1 536 . 1 1 55 55 GLN HB2 H 1 1.92 0.02 . 2 . . . A 55 GLN HB2 . 19749 1 537 . 1 1 55 55 GLN HB3 H 1 1.8 0.02 . 2 . . . A 55 GLN HB3 . 19749 1 538 . 1 1 55 55 GLN HG2 H 1 1.71 0.02 . 2 . . . A 55 GLN HG2 . 19749 1 539 . 1 1 55 55 GLN HG3 H 1 1.14 0.02 . 2 . . . A 55 GLN HG3 . 19749 1 540 . 1 1 55 55 GLN HE21 H 1 7.45 0.02 . 2 . . . A 55 GLN HE21 . 19749 1 541 . 1 1 55 55 GLN HE22 H 1 6.74 0.02 . 2 . . . A 55 GLN HE22 . 19749 1 542 . 1 1 55 55 GLN C C 13 175.9 0.2 . 1 . . . A 55 GLN C . 19749 1 543 . 1 1 55 55 GLN CA C 13 56.7 0.2 . 1 . . . A 55 GLN CA . 19749 1 544 . 1 1 55 55 GLN CB C 13 25.6 0.2 . 1 . . . A 55 GLN CB . 19749 1 545 . 1 1 55 55 GLN CG C 13 33.3 0.2 . 1 . . . A 55 GLN CG . 19749 1 546 . 1 1 55 55 GLN N N 15 129.9 0.2 . 1 . . . A 55 GLN N . 19749 1 547 . 1 1 55 55 GLN NE2 N 15 112.6 0.2 . 1 . . . A 55 GLN NE2 . 19749 1 548 . 1 1 56 56 LYS H H 1 8.92 0.02 . 1 . . . A 56 LYS H . 19749 1 549 . 1 1 56 56 LYS HA H 1 3.44 0.02 . 1 . . . A 56 LYS HA . 19749 1 550 . 1 1 56 56 LYS HB2 H 1 2.07 0.02 . 2 . . . A 56 LYS HB2 . 19749 1 551 . 1 1 56 56 LYS HB3 H 1 1.93 0.02 . 2 . . . A 56 LYS HB3 . 19749 1 552 . 1 1 56 56 LYS HG2 H 1 1.32 0.02 . 2 . . . A 56 LYS HG2 . 19749 1 553 . 1 1 56 56 LYS HG3 H 1 1.32 0.02 . 2 . . . A 56 LYS HG3 . 19749 1 554 . 1 1 56 56 LYS HE2 H 1 2.97 0.02 . 2 . . . A 56 LYS HD2 . 19749 1 555 . 1 1 56 56 LYS HE3 H 1 2.97 0.02 . 2 . . . A 56 LYS HD3 . 19749 1 556 . 1 1 56 56 LYS C C 13 174.8 0.2 . 1 . . . A 56 LYS C . 19749 1 557 . 1 1 56 56 LYS CA C 13 58.4 0.2 . 1 . . . A 56 LYS CA . 19749 1 558 . 1 1 56 56 LYS CB C 13 29.8 0.2 . 1 . . . A 56 LYS CB . 19749 1 559 . 1 1 56 56 LYS CG C 13 25.6 0.2 . 1 . . . A 56 LYS CG . 19749 1 560 . 1 1 56 56 LYS CE C 13 42.4 0.2 . 1 . . . A 56 LYS CD . 19749 1 561 . 1 1 56 56 LYS N N 15 107.6 0.2 . 1 . . . A 56 LYS N . 19749 1 562 . 1 1 57 57 HIS H H 1 7.98 0.02 . 1 . . . A 57 HIS H . 19749 1 563 . 1 1 57 57 HIS HA H 1 4.9 0.02 . 1 . . . A 57 HIS HA . 19749 1 564 . 1 1 57 57 HIS HB2 H 1 3.11 0.02 . 2 . . . A 57 HIS HB2 . 19749 1 565 . 1 1 57 57 HIS HB3 H 1 3.11 0.02 . 2 . . . A 57 HIS HB3 . 19749 1 566 . 1 1 57 57 HIS HD2 H 1 6.79 0.02 . 1 . . . A 57 HIS HD2 . 19749 1 567 . 1 1 57 57 HIS HE1 H 1 8.40 0.02 . 1 . . . A 57 HIS HE1 . 19749 1 568 . 1 1 57 57 HIS C C 13 173.4 0.2 . 1 . . . A 57 HIS C . 19749 1 569 . 1 1 57 57 HIS CA C 13 54.3 0.2 . 1 . . . A 57 HIS CA . 19749 1 570 . 1 1 57 57 HIS CB C 13 31.9 0.2 . 1 . . . A 57 HIS CB . 19749 1 571 . 1 1 57 57 HIS CD2 C 13 120.6 0.2 . 1 . . . A 57 HIS CD2 . 19749 1 572 . 1 1 57 57 HIS N N 15 118.2 0.2 . 1 . . . A 57 HIS N . 19749 1 573 . 1 1 57 57 HIS ND1 N 15 184.3 0.2 . 1 . . . A 57 HIS ND1 . 19749 1 574 . 1 1 57 57 HIS NE2 N 15 177.4 0.2 . 1 . . . A 57 HIS NE2 . 19749 1 575 . 1 1 58 58 VAL H H 1 8.8 0.02 . 1 . . . A 58 VAL H . 19749 1 576 . 1 1 58 58 VAL HA H 1 4.34 0.02 . 1 . . . A 58 VAL HA . 19749 1 577 . 1 1 58 58 VAL HB H 1 1.9 0.02 . 1 . . . A 58 VAL HB . 19749 1 578 . 1 1 58 58 VAL HG11 H 1 0.72 0.02 . 2 . . . A 58 VAL HG1 . 19749 1 579 . 1 1 58 58 VAL HG12 H 1 0.72 0.02 . 2 . . . A 58 VAL HG1 . 19749 1 580 . 1 1 58 58 VAL HG13 H 1 0.72 0.02 . 2 . . . A 58 VAL HG1 . 19749 1 581 . 1 1 58 58 VAL HG21 H 1 0.89 0.02 . 2 . . . A 58 VAL HG2 . 19749 1 582 . 1 1 58 58 VAL HG22 H 1 0.89 0.02 . 2 . . . A 58 VAL HG2 . 19749 1 583 . 1 1 58 58 VAL HG23 H 1 0.89 0.02 . 2 . . . A 58 VAL HG2 . 19749 1 584 . 1 1 58 58 VAL C C 13 175.7 0.2 . 1 . . . A 58 VAL C . 19749 1 585 . 1 1 58 58 VAL CA C 13 63.1 0.2 . 1 . . . A 58 VAL CA . 19749 1 586 . 1 1 58 58 VAL CB C 13 32 0.2 . 1 . . . A 58 VAL CB . 19749 1 587 . 1 1 58 58 VAL CG1 C 13 22 0.2 . 2 . . . A 58 VAL CG1 . 19749 1 588 . 1 1 58 58 VAL CG2 C 13 23.4 0.2 . 2 . . . A 58 VAL CG2 . 19749 1 589 . 1 1 58 58 VAL N N 15 124.5 0.2 . 1 . . . A 58 VAL N . 19749 1 590 . 1 1 59 59 HIS H H 1 9.83 0.02 . 1 . . . A 59 HIS H . 19749 1 591 . 1 1 59 59 HIS HA H 1 4.52 0.02 . 1 . . . A 59 HIS HA . 19749 1 592 . 1 1 59 59 HIS HB2 H 1 3.1 0.02 . 2 . . . A 59 HIS HB2 . 19749 1 593 . 1 1 59 59 HIS HB3 H 1 2.82 0.02 . 2 . . . A 59 HIS HB3 . 19749 1 594 . 1 1 59 59 HIS HD2 H 1 7.34 0.02 . 1 . . . A 59 HIS HD2 . 19749 1 595 . 1 1 59 59 HIS C C 13 174.1 0.2 . 1 . . . A 59 HIS C . 19749 1 596 . 1 1 59 59 HIS CA C 13 55.7 0.2 . 1 . . . A 59 HIS CA . 19749 1 597 . 1 1 59 59 HIS CB C 13 32.2 0.2 . 1 . . . A 59 HIS CB . 19749 1 598 . 1 1 59 59 HIS CD2 C 13 121.1 0.2 . 1 . . . A 59 HIS CD2 . 19749 1 599 . 1 1 59 59 HIS N N 15 132.2 0.2 . 1 . . . A 59 HIS N . 19749 1 600 . 1 1 60 60 THR H H 1 8.42 0.02 . 1 . . . A 60 THR H . 19749 1 601 . 1 1 60 60 THR HA H 1 5.28 0.02 . 1 . . . A 60 THR HA . 19749 1 602 . 1 1 60 60 THR HB H 1 3.79 0.02 . 1 . . . A 60 THR HB . 19749 1 603 . 1 1 60 60 THR HG21 H 1 1.1 0.02 . 1 . . . A 60 THR HG2 . 19749 1 604 . 1 1 60 60 THR HG22 H 1 1.1 0.02 . 1 . . . A 60 THR HG2 . 19749 1 605 . 1 1 60 60 THR HG23 H 1 1.1 0.02 . 1 . . . A 60 THR HG2 . 19749 1 606 . 1 1 60 60 THR C C 13 173.7 0.2 . 1 . . . A 60 THR C . 19749 1 607 . 1 1 60 60 THR CA C 13 62.1 0.2 . 1 . . . A 60 THR CA . 19749 1 608 . 1 1 60 60 THR CB C 13 70.3 0.2 . 1 . . . A 60 THR CB . 19749 1 609 . 1 1 60 60 THR CG2 C 13 22 0.2 . 1 . . . A 60 THR CG2 . 19749 1 610 . 1 1 60 60 THR N N 15 119.3 0.2 . 1 . . . A 60 THR N . 19749 1 611 . 1 1 61 61 TYR H H 1 9.81 0.02 . 1 . . . A 61 TYR H . 19749 1 612 . 1 1 61 61 TYR HA H 1 4.8 0.02 . 1 . . . A 61 TYR HA . 19749 1 613 . 1 1 61 61 TYR HB2 H 1 2.85 0.02 . 2 . . . A 61 TYR HB2 . 19749 1 614 . 1 1 61 61 TYR HB3 H 1 2.66 0.02 . 2 . . . A 61 TYR HB3 . 19749 1 615 . 1 1 61 61 TYR HD1 H 1 7.02 0.02 . 3 . . . A 61 TYR HD1 . 19749 1 616 . 1 1 61 61 TYR HD2 H 1 7.02 0.02 . 3 . . . A 61 TYR HD2 . 19749 1 617 . 1 1 61 61 TYR HE1 H 1 6.73 0.02 . 3 . . . A 61 TYR HE1 . 19749 1 618 . 1 1 61 61 TYR HE2 H 1 6.73 0.02 . 3 . . . A 61 TYR HE2 . 19749 1 619 . 1 1 61 61 TYR C C 13 175 0.2 . 1 . . . A 61 TYR C . 19749 1 620 . 1 1 61 61 TYR CA C 13 56.5 0.2 . 1 . . . A 61 TYR CA . 19749 1 621 . 1 1 61 61 TYR CB C 13 40.9 0.2 . 1 . . . A 61 TYR CB . 19749 1 622 . 1 1 61 61 TYR CD1 C 13 133.6 0.2 . 3 . . . A 61 TYR CD1 . 19749 1 623 . 1 1 61 61 TYR CD2 C 13 133.6 0.2 . 3 . . . A 61 TYR CD2 . 19749 1 624 . 1 1 61 61 TYR CE1 C 13 118.4 0.2 . 3 . . . A 61 TYR CE1 . 19749 1 625 . 1 1 61 61 TYR CE2 C 13 118.4 0.2 . 3 . . . A 61 TYR CE2 . 19749 1 626 . 1 1 61 61 TYR N N 15 127 0.2 . 1 . . . A 61 TYR N . 19749 1 627 . 1 1 62 62 ARG H H 1 9.24 0.02 . 1 . . . A 62 ARG H . 19749 1 628 . 1 1 62 62 ARG HA H 1 4.71 0.02 . 1 . . . A 62 ARG HA . 19749 1 629 . 1 1 62 62 ARG HB2 H 1 1.92 0.02 . 2 . . . A 62 ARG HB2 . 19749 1 630 . 1 1 62 62 ARG HB3 H 1 1.8 0.02 . 2 . . . A 62 ARG HB3 . 19749 1 631 . 1 1 62 62 ARG HG2 H 1 1.85 0.02 . 2 . . . A 62 ARG HG2 . 19749 1 632 . 1 1 62 62 ARG HG3 H 1 1.68 0.02 . 2 . . . A 62 ARG HG3 . 19749 1 633 . 1 1 62 62 ARG HD2 H 1 3.24 0.02 . 2 . . . A 62 ARG HD2 . 19749 1 634 . 1 1 62 62 ARG HD3 H 1 3.24 0.02 . 2 . . . A 62 ARG HD3 . 19749 1 635 . 1 1 62 62 ARG C C 13 175 0.2 . 1 . . . A 62 ARG C . 19749 1 636 . 1 1 62 62 ARG CA C 13 56.9 0.2 . 1 . . . A 62 ARG CA . 19749 1 637 . 1 1 62 62 ARG CB C 13 31.5 0.2 . 1 . . . A 62 ARG CB . 19749 1 638 . 1 1 62 62 ARG CG C 13 27.5 0.2 . 1 . . . A 62 ARG CG . 19749 1 639 . 1 1 62 62 ARG CD C 13 43.8 0.2 . 1 . . . A 62 ARG CD . 19749 1 640 . 1 1 62 62 ARG N N 15 124.2 0.2 . 1 . . . A 62 ARG N . 19749 1 641 . 1 1 63 63 ILE H H 1 8.81 0.02 . 1 . . . A 63 ILE H . 19749 1 642 . 1 1 63 63 ILE HA H 1 4.76 0.02 . 1 . . . A 63 ILE HA . 19749 1 643 . 1 1 63 63 ILE HB H 1 1.97 0.02 . 1 . . . A 63 ILE HB . 19749 1 644 . 1 1 63 63 ILE HG12 H 1 1.67 0.02 . 2 . . . A 63 ILE HG12 . 19749 1 645 . 1 1 63 63 ILE HG13 H 1 0.86 0.02 . 2 . . . A 63 ILE HG13 . 19749 1 646 . 1 1 63 63 ILE HG21 H 1 0.85 0.02 . 1 . . . A 63 ILE HG2 . 19749 1 647 . 1 1 63 63 ILE HG22 H 1 0.85 0.02 . 1 . . . A 63 ILE HG2 . 19749 1 648 . 1 1 63 63 ILE HG23 H 1 0.85 0.02 . 1 . . . A 63 ILE HG2 . 19749 1 649 . 1 1 63 63 ILE HD11 H 1 0.73 0.02 . 1 . . . A 63 ILE HD1 . 19749 1 650 . 1 1 63 63 ILE HD12 H 1 0.73 0.02 . 1 . . . A 63 ILE HD1 . 19749 1 651 . 1 1 63 63 ILE HD13 H 1 0.73 0.02 . 1 . . . A 63 ILE HD1 . 19749 1 652 . 1 1 63 63 ILE C C 13 174.9 0.2 . 1 . . . A 63 ILE C . 19749 1 653 . 1 1 63 63 ILE CA C 13 60.5 0.2 . 1 . . . A 63 ILE CA . 19749 1 654 . 1 1 63 63 ILE CB C 13 39.6 0.2 . 1 . . . A 63 ILE CB . 19749 1 655 . 1 1 63 63 ILE CG1 C 13 26.6 0.2 . 1 . . . A 63 ILE CG1 . 19749 1 656 . 1 1 63 63 ILE CG2 C 13 19.8 0.2 . 1 . . . A 63 ILE CG2 . 19749 1 657 . 1 1 63 63 ILE CD1 C 13 15.3 0.2 . 1 . . . A 63 ILE CD1 . 19749 1 658 . 1 1 63 63 ILE N N 15 124.1 0.2 . 1 . . . A 63 ILE N . 19749 1 659 . 1 1 64 64 LEU H H 1 8.66 0.02 . 1 . . . A 64 LEU H . 19749 1 660 . 1 1 64 64 LEU HA H 1 5.2 0.02 . 1 . . . A 64 LEU HA . 19749 1 661 . 1 1 64 64 LEU HB2 H 1 1.74 0.02 . 2 . . . A 64 LEU HB2 . 19749 1 662 . 1 1 64 64 LEU HB3 H 1 1.67 0.02 . 2 . . . A 64 LEU HB3 . 19749 1 663 . 1 1 64 64 LEU HG H 1 1.67 0.02 . 1 . . . A 64 LEU HG . 19749 1 664 . 1 1 64 64 LEU HD11 H 1 0.97 0.02 . 2 . . . A 64 LEU HD1 . 19749 1 665 . 1 1 64 64 LEU HD12 H 1 0.97 0.02 . 2 . . . A 64 LEU HD1 . 19749 1 666 . 1 1 64 64 LEU HD13 H 1 0.97 0.02 . 2 . . . A 64 LEU HD1 . 19749 1 667 . 1 1 64 64 LEU HD21 H 1 0.85 0.02 . 2 . . . A 64 LEU HD2 . 19749 1 668 . 1 1 64 64 LEU HD22 H 1 0.85 0.02 . 2 . . . A 64 LEU HD2 . 19749 1 669 . 1 1 64 64 LEU HD23 H 1 0.85 0.02 . 2 . . . A 64 LEU HD2 . 19749 1 670 . 1 1 64 64 LEU CA C 13 51.6 0.2 . 1 . . . A 64 LEU CA . 19749 1 671 . 1 1 64 64 LEU CB C 13 44.2 0.2 . 1 . . . A 64 LEU CB . 19749 1 672 . 1 1 64 64 LEU CG C 13 27.6 0.2 . 1 . . . A 64 LEU CG . 19749 1 673 . 1 1 64 64 LEU CD1 C 13 25.4 0.2 . 2 . . . A 64 LEU CD1 . 19749 1 674 . 1 1 64 64 LEU CD2 C 13 22.7 0.2 . 2 . . . A 64 LEU CD2 . 19749 1 675 . 1 1 64 64 LEU N N 15 126.2 0.2 . 1 . . . A 64 LEU N . 19749 1 676 . 1 1 65 65 PRO HA H 1 5.23 0.02 . 1 . . . A 65 PRO HA . 19749 1 677 . 1 1 65 65 PRO HB2 H 1 2.3 0.02 . 2 . . . A 65 PRO HB2 . 19749 1 678 . 1 1 65 65 PRO HB3 H 1 2.11 0.02 . 2 . . . A 65 PRO HB3 . 19749 1 679 . 1 1 65 65 PRO HG2 H 1 2.19 0.02 . 2 . . . A 65 PRO HG2 . 19749 1 680 . 1 1 65 65 PRO HG3 H 1 2.01 0.02 . 2 . . . A 65 PRO HG3 . 19749 1 681 . 1 1 65 65 PRO HD2 H 1 3.76 0.02 . 2 . . . A 65 PRO HD2 . 19749 1 682 . 1 1 65 65 PRO HD3 H 1 3.76 0.02 . 2 . . . A 65 PRO HD3 . 19749 1 683 . 1 1 65 65 PRO C C 13 177 0.2 . 1 . . . A 65 PRO C . 19749 1 684 . 1 1 65 65 PRO CA C 13 62.5 0.2 . 1 . . . A 65 PRO CA . 19749 1 685 . 1 1 65 65 PRO CB C 13 32.3 0.2 . 1 . . . A 65 PRO CB . 19749 1 686 . 1 1 65 65 PRO CG C 13 27.4 0.2 . 1 . . . A 65 PRO CG . 19749 1 687 . 1 1 65 65 PRO CD C 13 50.7 0.2 . 1 . . . A 65 PRO CD . 19749 1 688 . 1 1 66 66 ASP H H 1 8.65 0.02 . 1 . . . A 66 ASP H . 19749 1 689 . 1 1 66 66 ASP HA H 1 4.9 0.02 . 1 . . . A 66 ASP HA . 19749 1 690 . 1 1 66 66 ASP HB2 H 1 2.8 0.02 . 2 . . . A 66 ASP HB2 . 19749 1 691 . 1 1 66 66 ASP HB3 H 1 2.58 0.02 . 2 . . . A 66 ASP HB3 . 19749 1 692 . 1 1 66 66 ASP C C 13 177.2 0.2 . 1 . . . A 66 ASP C . 19749 1 693 . 1 1 66 66 ASP CA C 13 52.6 0.2 . 1 . . . A 66 ASP CA . 19749 1 694 . 1 1 66 66 ASP CB C 13 43 0.2 . 1 . . . A 66 ASP CB . 19749 1 695 . 1 1 66 66 ASP N N 15 124.5 0.2 . 1 . . . A 66 ASP N . 19749 1 696 . 1 1 67 67 GLY H H 1 8.42 0.02 . 1 . . . A 67 GLY H . 19749 1 697 . 1 1 67 67 GLY HA2 H 1 4.09 0.02 . 2 . . . A 67 GLY HA2 . 19749 1 698 . 1 1 67 67 GLY HA3 H 1 3.91 0.02 . 2 . . . A 67 GLY HA3 . 19749 1 699 . 1 1 67 67 GLY C C 13 174.7 0.2 . 1 . . . A 67 GLY C . 19749 1 700 . 1 1 67 67 GLY CA C 13 45.9 0.2 . 1 . . . A 67 GLY CA . 19749 1 701 . 1 1 67 67 GLY N N 15 108.3 0.2 . 1 . . . A 67 GLY N . 19749 1 702 . 1 1 68 68 GLU H H 1 8.58 0.02 . 1 . . . A 68 GLU H . 19749 1 703 . 1 1 68 68 GLU HA H 1 4.34 0.02 . 1 . . . A 68 GLU HA . 19749 1 704 . 1 1 68 68 GLU HB2 H 1 2.25 0.02 . 2 . . . A 68 GLU HB2 . 19749 1 705 . 1 1 68 68 GLU HB3 H 1 1.96 0.02 . 2 . . . A 68 GLU HB3 . 19749 1 706 . 1 1 68 68 GLU HG2 H 1 2.24 0.02 . 2 . . . A 68 GLU HG2 . 19749 1 707 . 1 1 68 68 GLU HG3 H 1 2.24 0.02 . 2 . . . A 68 GLU HG3 . 19749 1 708 . 1 1 68 68 GLU C C 13 176.1 0.2 . 1 . . . A 68 GLU C . 19749 1 709 . 1 1 68 68 GLU CA C 13 56.8 0.2 . 1 . . . A 68 GLU CA . 19749 1 710 . 1 1 68 68 GLU CB C 13 30.3 0.2 . 1 . . . A 68 GLU CB . 19749 1 711 . 1 1 68 68 GLU CG C 13 37 0.2 . 1 . . . A 68 GLU CG . 19749 1 712 . 1 1 68 68 GLU N N 15 120.3 0.2 . 1 . . . A 68 GLU N . 19749 1 713 . 1 1 69 69 ASP H H 1 8.36 0.02 . 1 . . . A 69 ASP H . 19749 1 714 . 1 1 69 69 ASP HA H 1 4.52 0.02 . 1 . . . A 69 ASP HA . 19749 1 715 . 1 1 69 69 ASP HB2 H 1 2.78 0.02 . 2 . . . A 69 ASP HB2 . 19749 1 716 . 1 1 69 69 ASP HB3 H 1 2.69 0.02 . 2 . . . A 69 ASP HB3 . 19749 1 717 . 1 1 69 69 ASP C C 13 175.5 0.2 . 1 . . . A 69 ASP C . 19749 1 718 . 1 1 69 69 ASP CA C 13 55.9 0.2 . 1 . . . A 69 ASP CA . 19749 1 719 . 1 1 69 69 ASP CB C 13 40.6 0.2 . 1 . . . A 69 ASP CB . 19749 1 720 . 1 1 69 69 ASP N N 15 115 0.2 . 1 . . . A 69 ASP N . 19749 1 721 . 1 1 70 70 PHE H H 1 8.12 0.02 . 1 . . . A 70 PHE H . 19749 1 722 . 1 1 70 70 PHE HA H 1 4.99 0.02 . 1 . . . A 70 PHE HA . 19749 1 723 . 1 1 70 70 PHE HB2 H 1 3.41 0.02 . 2 . . . A 70 PHE HB2 . 19749 1 724 . 1 1 70 70 PHE HB3 H 1 2.78 0.02 . 2 . . . A 70 PHE HB3 . 19749 1 725 . 1 1 70 70 PHE HD1 H 1 7.08 0.02 . 3 . . . A 70 PHE HD1 . 19749 1 726 . 1 1 70 70 PHE HD2 H 1 7.08 0.02 . 3 . . . A 70 PHE HD2 . 19749 1 727 . 1 1 70 70 PHE HE1 H 1 6.85 0.02 . 3 . . . A 70 PHE HE1 . 19749 1 728 . 1 1 70 70 PHE HE2 H 1 6.85 0.02 . 3 . . . A 70 PHE HE2 . 19749 1 729 . 1 1 70 70 PHE C C 13 175.7 0.2 . 1 . . . A 70 PHE C . 19749 1 730 . 1 1 70 70 PHE CA C 13 57.6 0.2 . 1 . . . A 70 PHE CA . 19749 1 731 . 1 1 70 70 PHE CB C 13 41.7 0.2 . 1 . . . A 70 PHE CB . 19749 1 732 . 1 1 70 70 PHE CD1 C 13 131.6 0.2 . 3 . . . A 70 PHE CD1 . 19749 1 733 . 1 1 70 70 PHE CD2 C 13 131.6 0.2 . 3 . . . A 70 PHE CD2 . 19749 1 734 . 1 1 70 70 PHE N N 15 117.2 0.2 . 1 . . . A 70 PHE N . 19749 1 735 . 1 1 71 71 LEU H H 1 9.33 0.02 . 1 . . . A 71 LEU H . 19749 1 736 . 1 1 71 71 LEU HA H 1 4.95 0.02 . 1 . . . A 71 LEU HA . 19749 1 737 . 1 1 71 71 LEU HB2 H 1 1.46 0.02 . 2 . . . A 71 LEU HB2 . 19749 1 738 . 1 1 71 71 LEU HB3 H 1 1.11 0.02 . 2 . . . A 71 LEU HB3 . 19749 1 739 . 1 1 71 71 LEU HD11 H 1 0.59 0.02 . 2 . . . A 71 LEU HD1 . 19749 1 740 . 1 1 71 71 LEU HD12 H 1 0.59 0.02 . 2 . . . A 71 LEU HD1 . 19749 1 741 . 1 1 71 71 LEU HD13 H 1 0.59 0.02 . 2 . . . A 71 LEU HD1 . 19749 1 742 . 1 1 71 71 LEU HD21 H 1 0.82 0.02 . 2 . . . A 71 LEU HD2 . 19749 1 743 . 1 1 71 71 LEU HD22 H 1 0.82 0.02 . 2 . . . A 71 LEU HD2 . 19749 1 744 . 1 1 71 71 LEU HD23 H 1 0.82 0.02 . 2 . . . A 71 LEU HD2 . 19749 1 745 . 1 1 71 71 LEU C C 13 175.9 0.2 . 1 . . . A 71 LEU C . 19749 1 746 . 1 1 71 71 LEU CA C 13 53.9 0.2 . 1 . . . A 71 LEU CA . 19749 1 747 . 1 1 71 71 LEU CB C 13 45.7 0.2 . 1 . . . A 71 LEU CB . 19749 1 748 . 1 1 71 71 LEU CD1 C 13 25.9 0.2 . 2 . . . A 71 LEU CD1 . 19749 1 749 . 1 1 71 71 LEU CD2 C 13 22.6 0.2 . 2 . . . A 71 LEU CD2 . 19749 1 750 . 1 1 71 71 LEU N N 15 120.9 0.2 . 1 . . . A 71 LEU N . 19749 1 751 . 1 1 72 72 ALA H H 1 8.67 0.02 . 1 . . . A 72 ALA H . 19749 1 752 . 1 1 72 72 ALA HA H 1 5.21 0.02 . 1 . . . A 72 ALA HA . 19749 1 753 . 1 1 72 72 ALA HB1 H 1 1.39 0.02 . 1 . . . A 72 ALA HB . 19749 1 754 . 1 1 72 72 ALA HB2 H 1 1.39 0.02 . 1 . . . A 72 ALA HB . 19749 1 755 . 1 1 72 72 ALA HB3 H 1 1.39 0.02 . 1 . . . A 72 ALA HB . 19749 1 756 . 1 1 72 72 ALA C C 13 176.9 0.2 . 1 . . . A 72 ALA C . 19749 1 757 . 1 1 72 72 ALA CA C 13 51.5 0.2 . 1 . . . A 72 ALA CA . 19749 1 758 . 1 1 72 72 ALA CB C 13 23 0.2 . 1 . . . A 72 ALA CB . 19749 1 759 . 1 1 72 72 ALA N N 15 121.5 0.2 . 1 . . . A 72 ALA N . 19749 1 760 . 1 1 73 73 VAL H H 1 9.31 0.02 . 1 . . . A 73 VAL H . 19749 1 761 . 1 1 73 73 VAL HA H 1 4.58 0.02 . 1 . . . A 73 VAL HA . 19749 1 762 . 1 1 73 73 VAL HB H 1 2.03 0.02 . 1 . . . A 73 VAL HB . 19749 1 763 . 1 1 73 73 VAL HG11 H 1 0.82 0.02 . 2 . . . A 73 VAL HG1 . 19749 1 764 . 1 1 73 73 VAL HG12 H 1 0.82 0.02 . 2 . . . A 73 VAL HG1 . 19749 1 765 . 1 1 73 73 VAL HG13 H 1 0.82 0.02 . 2 . . . A 73 VAL HG1 . 19749 1 766 . 1 1 73 73 VAL HG21 H 1 0.8 0.02 . 2 . . . A 73 VAL HG2 . 19749 1 767 . 1 1 73 73 VAL HG22 H 1 0.8 0.02 . 2 . . . A 73 VAL HG2 . 19749 1 768 . 1 1 73 73 VAL HG23 H 1 0.8 0.02 . 2 . . . A 73 VAL HG2 . 19749 1 769 . 1 1 73 73 VAL C C 13 175.1 0.2 . 1 . . . A 73 VAL C . 19749 1 770 . 1 1 73 73 VAL CA C 13 61.8 0.2 . 1 . . . A 73 VAL CA . 19749 1 771 . 1 1 73 73 VAL CB C 13 33.8 0.2 . 1 . . . A 73 VAL CB . 19749 1 772 . 1 1 73 73 VAL CG1 C 13 21.3 0.2 . 2 . . . A 73 VAL CG1 . 19749 1 773 . 1 1 73 73 VAL CG2 C 13 23.1 0.2 . 2 . . . A 73 VAL CG2 . 19749 1 774 . 1 1 73 73 VAL N N 15 122.7 0.2 . 1 . . . A 73 VAL N . 19749 1 775 . 1 1 74 74 GLN H H 1 9.09 0.02 . 1 . . . A 74 GLN H . 19749 1 776 . 1 1 74 74 GLN HA H 1 4.71 0.02 . 1 . . . A 74 GLN HA . 19749 1 777 . 1 1 74 74 GLN HB2 H 1 2.31 0.02 . 2 . . . A 74 GLN HB2 . 19749 1 778 . 1 1 74 74 GLN HB3 H 1 2 0.02 . 2 . . . A 74 GLN HB3 . 19749 1 779 . 1 1 74 74 GLN HG2 H 1 2.42 0.02 . 2 . . . A 74 GLN HG2 . 19749 1 780 . 1 1 74 74 GLN HG3 H 1 2.37 0.02 . 2 . . . A 74 GLN HG3 . 19749 1 781 . 1 1 74 74 GLN HE21 H 1 7.61 0.02 . 2 . . . A 74 GLN HE21 . 19749 1 782 . 1 1 74 74 GLN HE22 H 1 7.01 0.02 . 2 . . . A 74 GLN HE22 . 19749 1 783 . 1 1 74 74 GLN C C 13 175.9 0.2 . 1 . . . A 74 GLN C . 19749 1 784 . 1 1 74 74 GLN CA C 13 55.1 0.2 . 1 . . . A 74 GLN CA . 19749 1 785 . 1 1 74 74 GLN CB C 13 29.7 0.2 . 1 . . . A 74 GLN CB . 19749 1 786 . 1 1 74 74 GLN CG C 13 34.1 0.2 . 1 . . . A 74 GLN CG . 19749 1 787 . 1 1 74 74 GLN N N 15 128.6 0.2 . 1 . . . A 74 GLN N . 19749 1 788 . 1 1 74 74 GLN NE2 N 15 113.1 0.2 . 1 . . . A 74 GLN NE2 . 19749 1 789 . 1 1 75 75 THR H H 1 8.51 0.02 . 1 . . . A 75 THR H . 19749 1 790 . 1 1 75 75 THR HA H 1 4.49 0.02 . 1 . . . A 75 THR HA . 19749 1 791 . 1 1 75 75 THR HB H 1 4.38 0.02 . 1 . . . A 75 THR HB . 19749 1 792 . 1 1 75 75 THR HG21 H 1 1.11 0.02 . 1 . . . A 75 THR HG2 . 19749 1 793 . 1 1 75 75 THR HG22 H 1 1.11 0.02 . 1 . . . A 75 THR HG2 . 19749 1 794 . 1 1 75 75 THR HG23 H 1 1.11 0.02 . 1 . . . A 75 THR HG2 . 19749 1 795 . 1 1 75 75 THR C C 13 174.7 0.2 . 1 . . . A 75 THR C . 19749 1 796 . 1 1 75 75 THR CA C 13 62.2 0.2 . 1 . . . A 75 THR CA . 19749 1 797 . 1 1 75 75 THR CB C 13 69.8 0.2 . 1 . . . A 75 THR CB . 19749 1 798 . 1 1 75 75 THR CG2 C 13 22.1 0.2 . 1 . . . A 75 THR CG2 . 19749 1 799 . 1 1 75 75 THR N N 15 117.7 0.2 . 1 . . . A 75 THR N . 19749 1 800 . 1 1 76 76 SER H H 1 8.25 0.02 . 1 . . . A 76 SER H . 19749 1 801 . 1 1 76 76 SER HA H 1 4.54 0.02 . 1 . . . A 76 SER HA . 19749 1 802 . 1 1 76 76 SER HB2 H 1 3.97 0.02 . 2 . . . A 76 SER HB2 . 19749 1 803 . 1 1 76 76 SER HB3 H 1 3.97 0.02 . 2 . . . A 76 SER HB3 . 19749 1 804 . 1 1 76 76 SER HG H 1 5.57 0.02 . 1 . . . A 76 SER HG . 19749 1 805 . 1 1 76 76 SER C C 13 174.2 0.2 . 1 . . . A 76 SER C . 19749 1 806 . 1 1 76 76 SER CA C 13 58.6 0.2 . 1 . . . A 76 SER CA . 19749 1 807 . 1 1 76 76 SER CB C 13 64.2 0.2 . 1 . . . A 76 SER CB . 19749 1 808 . 1 1 76 76 SER N N 15 115.3 0.2 . 1 . . . A 76 SER N . 19749 1 809 . 1 1 77 77 GLN H H 1 8.51 0.02 . 1 . . . A 77 GLN H . 19749 1 810 . 1 1 77 77 GLN HA H 1 4.22 0.02 . 1 . . . A 77 GLN HA . 19749 1 811 . 1 1 77 77 GLN HB2 H 1 2.13 0.02 . 2 . . . A 77 GLN HB2 . 19749 1 812 . 1 1 77 77 GLN HB3 H 1 2.05 0.02 . 2 . . . A 77 GLN HB3 . 19749 1 813 . 1 1 77 77 GLN HG2 H 1 2.42 0.02 . 2 . . . A 77 GLN HG2 . 19749 1 814 . 1 1 77 77 GLN HG3 H 1 2.42 0.02 . 2 . . . A 77 GLN HG3 . 19749 1 815 . 1 1 77 77 GLN HE21 H 1 7.56 0.02 . 2 . . . A 77 GLN HE21 . 19749 1 816 . 1 1 77 77 GLN HE22 H 1 6.87 0.02 . 2 . . . A 77 GLN HE22 . 19749 1 817 . 1 1 77 77 GLN C C 13 176.9 0.2 . 1 . . . A 77 GLN C . 19749 1 818 . 1 1 77 77 GLN CA C 13 57.3 0.2 . 1 . . . A 77 GLN CA . 19749 1 819 . 1 1 77 77 GLN CB C 13 28.9 0.2 . 1 . . . A 77 GLN CB . 19749 1 820 . 1 1 77 77 GLN CG C 13 34 0.2 . 1 . . . A 77 GLN CG . 19749 1 821 . 1 1 77 77 GLN N N 15 120.5 0.2 . 1 . . . A 77 GLN N . 19749 1 822 . 1 1 77 77 GLN NE2 N 15 112.3 0.2 . 1 . . . A 77 GLN NE2 . 19749 1 823 . 1 1 78 78 GLY H H 1 8.61 0.02 . 1 . . . A 78 GLY H . 19749 1 824 . 1 1 78 78 GLY HA2 H 1 4.08 0.02 . 2 . . . A 78 GLY HA2 . 19749 1 825 . 1 1 78 78 GLY HA3 H 1 3.81 0.02 . 2 . . . A 78 GLY HA3 . 19749 1 826 . 1 1 78 78 GLY C C 13 173.8 0.2 . 1 . . . A 78 GLY C . 19749 1 827 . 1 1 78 78 GLY CA C 13 45.5 0.2 . 1 . . . A 78 GLY CA . 19749 1 828 . 1 1 78 78 GLY N N 15 110.3 0.2 . 1 . . . A 78 GLY N . 19749 1 829 . 1 1 79 79 VAL H H 1 7.4 0.02 . 1 . . . A 79 VAL H . 19749 1 830 . 1 1 79 79 VAL HA H 1 4.55 0.02 . 1 . . . A 79 VAL HA . 19749 1 831 . 1 1 79 79 VAL HB H 1 2.17 0.02 . 1 . . . A 79 VAL HB . 19749 1 832 . 1 1 79 79 VAL HG11 H 1 0.99 0.02 . 2 . . . A 79 VAL HG1 . 19749 1 833 . 1 1 79 79 VAL HG12 H 1 0.99 0.02 . 2 . . . A 79 VAL HG1 . 19749 1 834 . 1 1 79 79 VAL HG13 H 1 0.99 0.02 . 2 . . . A 79 VAL HG1 . 19749 1 835 . 1 1 79 79 VAL HG21 H 1 0.9 0.02 . 2 . . . A 79 VAL HG2 . 19749 1 836 . 1 1 79 79 VAL HG22 H 1 0.9 0.02 . 2 . . . A 79 VAL HG2 . 19749 1 837 . 1 1 79 79 VAL HG23 H 1 0.9 0.02 . 2 . . . A 79 VAL HG2 . 19749 1 838 . 1 1 79 79 VAL CA C 13 59.5 0.2 . 1 . . . A 79 VAL CA . 19749 1 839 . 1 1 79 79 VAL CB C 13 32.8 0.2 . 1 . . . A 79 VAL CB . 19749 1 840 . 1 1 79 79 VAL CG1 C 13 21.1 0.2 . 2 . . . A 79 VAL CG1 . 19749 1 841 . 1 1 79 79 VAL CG2 C 13 20.5 0.2 . 2 . . . A 79 VAL CG2 . 19749 1 842 . 1 1 79 79 VAL N N 15 119.5 0.2 . 1 . . . A 79 VAL N . 19749 1 843 . 1 1 80 80 PRO HA H 1 4.42 0.02 . 1 . . . A 80 PRO HA . 19749 1 844 . 1 1 80 80 PRO HB2 H 1 2.32 0.02 . 2 . . . A 80 PRO HB2 . 19749 1 845 . 1 1 80 80 PRO HB3 H 1 1.8 0.02 . 2 . . . A 80 PRO HB3 . 19749 1 846 . 1 1 80 80 PRO HG2 H 1 2.05 0.02 . 2 . . . A 80 PRO HG2 . 19749 1 847 . 1 1 80 80 PRO HG3 H 1 1.97 0.02 . 2 . . . A 80 PRO HG3 . 19749 1 848 . 1 1 80 80 PRO HD2 H 1 3.93 0.02 . 2 . . . A 80 PRO HD2 . 19749 1 849 . 1 1 80 80 PRO HD3 H 1 3.66 0.02 . 2 . . . A 80 PRO HD3 . 19749 1 850 . 1 1 80 80 PRO C C 13 176.9 0.2 . 1 . . . A 80 PRO C . 19749 1 851 . 1 1 80 80 PRO CA C 13 63.3 0.2 . 1 . . . A 80 PRO CA . 19749 1 852 . 1 1 80 80 PRO CB C 13 32.3 0.2 . 1 . . . A 80 PRO CB . 19749 1 853 . 1 1 80 80 PRO CG C 13 27.7 0.2 . 1 . . . A 80 PRO CG . 19749 1 854 . 1 1 80 80 PRO CD C 13 51.2 0.2 . 1 . . . A 80 PRO CD . 19749 1 855 . 1 1 81 81 VAL H H 1 8.39 0.02 . 1 . . . A 81 VAL H . 19749 1 856 . 1 1 81 81 VAL HA H 1 4.04 0.02 . 1 . . . A 81 VAL HA . 19749 1 857 . 1 1 81 81 VAL HB H 1 1.98 0.02 . 1 . . . A 81 VAL HB . 19749 1 858 . 1 1 81 81 VAL HG11 H 1 0.91 0.02 . 2 . . . A 81 VAL HG1 . 19749 1 859 . 1 1 81 81 VAL HG12 H 1 0.91 0.02 . 2 . . . A 81 VAL HG1 . 19749 1 860 . 1 1 81 81 VAL HG13 H 1 0.91 0.02 . 2 . . . A 81 VAL HG1 . 19749 1 861 . 1 1 81 81 VAL HG21 H 1 0.99 0.02 . 2 . . . A 81 VAL HG2 . 19749 1 862 . 1 1 81 81 VAL HG22 H 1 0.99 0.02 . 2 . . . A 81 VAL HG2 . 19749 1 863 . 1 1 81 81 VAL HG23 H 1 0.99 0.02 . 2 . . . A 81 VAL HG2 . 19749 1 864 . 1 1 81 81 VAL C C 13 175.8 0.2 . 1 . . . A 81 VAL C . 19749 1 865 . 1 1 81 81 VAL CA C 13 63 0.2 . 1 . . . A 81 VAL CA . 19749 1 866 . 1 1 81 81 VAL CB C 13 32.8 0.2 . 1 . . . A 81 VAL CB . 19749 1 867 . 1 1 81 81 VAL CG1 C 13 21.4 0.2 . 2 . . . A 81 VAL CG1 . 19749 1 868 . 1 1 81 81 VAL CG2 C 13 21.2 0.2 . 2 . . . A 81 VAL CG2 . 19749 1 869 . 1 1 81 81 VAL N N 15 121.6 0.2 . 1 . . . A 81 VAL N . 19749 1 870 . 1 1 82 82 ARG H H 1 8.17 0.02 . 1 . . . A 82 ARG H . 19749 1 871 . 1 1 82 82 ARG HA H 1 4.45 0.02 . 1 . . . A 82 ARG HA . 19749 1 872 . 1 1 82 82 ARG HB2 H 1 1.76 0.02 . 2 . . . A 82 ARG HB2 . 19749 1 873 . 1 1 82 82 ARG HB3 H 1 1.68 0.02 . 2 . . . A 82 ARG HB3 . 19749 1 874 . 1 1 82 82 ARG HG2 H 1 1.56 0.02 . 2 . . . A 82 ARG HG2 . 19749 1 875 . 1 1 82 82 ARG HG3 H 1 1.4 0.02 . 2 . . . A 82 ARG HG3 . 19749 1 876 . 1 1 82 82 ARG HD2 H 1 3.12 0.02 . 2 . . . A 82 ARG HD2 . 19749 1 877 . 1 1 82 82 ARG HD3 H 1 3.12 0.02 . 2 . . . A 82 ARG HD3 . 19749 1 878 . 1 1 82 82 ARG HE H 1 7.08 0.02 . 1 . . . A 82 ARG HE . 19749 1 879 . 1 1 82 82 ARG C C 13 173.9 0.2 . 1 . . . A 82 ARG C . 19749 1 880 . 1 1 82 82 ARG CA C 13 55 0.2 . 1 . . . A 82 ARG CA . 19749 1 881 . 1 1 82 82 ARG CB C 13 32.3 0.2 . 1 . . . A 82 ARG CB . 19749 1 882 . 1 1 82 82 ARG CG C 13 27.3 0.2 . 1 . . . A 82 ARG CG . 19749 1 883 . 1 1 82 82 ARG CD C 13 43.4 0.2 . 1 . . . A 82 ARG CD . 19749 1 884 . 1 1 82 82 ARG N N 15 125.4 0.2 . 1 . . . A 82 ARG N . 19749 1 885 . 1 1 82 82 ARG NE N 15 84.5 0.2 . 1 . . . A 82 ARG NE . 19749 1 886 . 1 1 83 83 ARG H H 1 8.06 0.02 . 1 . . . A 83 ARG H . 19749 1 887 . 1 1 83 83 ARG HA H 1 5.33 0.02 . 1 . . . A 83 ARG HA . 19749 1 888 . 1 1 83 83 ARG HB2 H 1 1.53 0.02 . 2 . . . A 83 ARG HB2 . 19749 1 889 . 1 1 83 83 ARG HB3 H 1 1.53 0.02 . 2 . . . A 83 ARG HB3 . 19749 1 890 . 1 1 83 83 ARG HG2 H 1 1.37 0.02 . 2 . . . A 83 ARG HG2 . 19749 1 891 . 1 1 83 83 ARG HG3 H 1 1.31 0.02 . 2 . . . A 83 ARG HG3 . 19749 1 892 . 1 1 83 83 ARG HD2 H 1 2.78 0.02 . 2 . . . A 83 ARG HD2 . 19749 1 893 . 1 1 83 83 ARG HD3 H 1 2.78 0.02 . 2 . . . A 83 ARG HD3 . 19749 1 894 . 1 1 83 83 ARG HE H 1 6.95 0.02 . 1 . . . A 83 ARG HE . 19749 1 895 . 1 1 83 83 ARG C C 13 175.6 0.2 . 1 . . . A 83 ARG C . 19749 1 896 . 1 1 83 83 ARG CA C 13 54.5 0.2 . 1 . . . A 83 ARG CA . 19749 1 897 . 1 1 83 83 ARG CB C 13 33.5 0.2 . 1 . . . A 83 ARG CB . 19749 1 898 . 1 1 83 83 ARG CG C 13 27.1 0.2 . 1 . . . A 83 ARG CG . 19749 1 899 . 1 1 83 83 ARG CD C 13 43.6 0.2 . 1 . . . A 83 ARG CD . 19749 1 900 . 1 1 83 83 ARG N N 15 121.2 0.2 . 1 . . . A 83 ARG N . 19749 1 901 . 1 1 83 83 ARG NE N 15 83.8 0.2 . 1 . . . A 83 ARG NE . 19749 1 902 . 1 1 84 84 PHE H H 1 9.32 0.02 . 1 . . . A 84 PHE H . 19749 1 903 . 1 1 84 84 PHE HA H 1 4.95 0.02 . 1 . . . A 84 PHE HA . 19749 1 904 . 1 1 84 84 PHE HB2 H 1 3.27 0.02 . 2 . . . A 84 PHE HB2 . 19749 1 905 . 1 1 84 84 PHE HB3 H 1 2.59 0.02 . 2 . . . A 84 PHE HB3 . 19749 1 906 . 1 1 84 84 PHE HD1 H 1 7.21 0.02 . 3 . . . A 84 PHE HD1 . 19749 1 907 . 1 1 84 84 PHE HD2 H 1 7.21 0.02 . 3 . . . A 84 PHE HD2 . 19749 1 908 . 1 1 84 84 PHE C C 13 175.2 0.2 . 1 . . . A 84 PHE C . 19749 1 909 . 1 1 84 84 PHE CA C 13 57.1 0.2 . 1 . . . A 84 PHE CA . 19749 1 910 . 1 1 84 84 PHE CB C 13 44.5 0.2 . 1 . . . A 84 PHE CB . 19749 1 911 . 1 1 84 84 PHE CD1 C 13 132.5 0.2 . 3 . . . A 84 PHE CD1 . 19749 1 912 . 1 1 84 84 PHE CD2 C 13 132.5 0.2 . 3 . . . A 84 PHE CD2 . 19749 1 913 . 1 1 84 84 PHE N N 15 118.6 0.2 . 1 . . . A 84 PHE N . 19749 1 914 . 1 1 85 85 GLN H H 1 9.66 0.02 . 1 . . . A 85 GLN H . 19749 1 915 . 1 1 85 85 GLN HA H 1 4.05 0.02 . 1 . . . A 85 GLN HA . 19749 1 916 . 1 1 85 85 GLN HB2 H 1 2.14 0.02 . 2 . . . A 85 GLN HB2 . 19749 1 917 . 1 1 85 85 GLN HB3 H 1 2.06 0.02 . 2 . . . A 85 GLN HB3 . 19749 1 918 . 1 1 85 85 GLN HG2 H 1 2.26 0.02 . 2 . . . A 85 GLN HG2 . 19749 1 919 . 1 1 85 85 GLN HG3 H 1 1.99 0.02 . 2 . . . A 85 GLN HG3 . 19749 1 920 . 1 1 85 85 GLN HE21 H 1 7.38 0.02 . 2 . . . A 85 GLN HE21 . 19749 1 921 . 1 1 85 85 GLN HE22 H 1 6.74 0.02 . 2 . . . A 85 GLN HE22 . 19749 1 922 . 1 1 85 85 GLN C C 13 176 0.2 . 1 . . . A 85 GLN C . 19749 1 923 . 1 1 85 85 GLN CA C 13 58.4 0.2 . 1 . . . A 85 GLN CA . 19749 1 924 . 1 1 85 85 GLN CB C 13 30.3 0.2 . 1 . . . A 85 GLN CB . 19749 1 925 . 1 1 85 85 GLN CG C 13 35.3 0.2 . 1 . . . A 85 GLN CG . 19749 1 926 . 1 1 85 85 GLN N N 15 120.8 0.2 . 1 . . . A 85 GLN N . 19749 1 927 . 1 1 85 85 GLN NE2 N 15 112.3 0.2 . 1 . . . A 85 GLN NE2 . 19749 1 928 . 1 1 86 86 THR H H 1 7.26 0.02 . 1 . . . A 86 THR H . 19749 1 929 . 1 1 86 86 THR HA H 1 4.81 0.02 . 1 . . . A 86 THR HA . 19749 1 930 . 1 1 86 86 THR HB H 1 4.56 0.02 . 1 . . . A 86 THR HB . 19749 1 931 . 1 1 86 86 THR HG21 H 1 1.17 0.02 . 1 . . . A 86 THR HG2 . 19749 1 932 . 1 1 86 86 THR HG22 H 1 1.17 0.02 . 1 . . . A 86 THR HG2 . 19749 1 933 . 1 1 86 86 THR HG23 H 1 1.17 0.02 . 1 . . . A 86 THR HG2 . 19749 1 934 . 1 1 86 86 THR C C 13 174.5 0.2 . 1 . . . A 86 THR C . 19749 1 935 . 1 1 86 86 THR CA C 13 58.7 0.2 . 1 . . . A 86 THR CA . 19749 1 936 . 1 1 86 86 THR CB C 13 73.4 0.2 . 1 . . . A 86 THR CB . 19749 1 937 . 1 1 86 86 THR CG2 C 13 22 0.2 . 1 . . . A 86 THR CG2 . 19749 1 938 . 1 1 86 86 THR N N 15 103 0.2 . 1 . . . A 86 THR N . 19749 1 939 . 1 1 87 87 LEU H H 1 9.15 0.02 . 1 . . . A 87 LEU H . 19749 1 940 . 1 1 87 87 LEU HA H 1 3.83 0.02 . 1 . . . A 87 LEU HA . 19749 1 941 . 1 1 87 87 LEU HB2 H 1 1.35 0.02 . 2 . . . A 87 LEU HB2 . 19749 1 942 . 1 1 87 87 LEU HB3 H 1 1.35 0.02 . 2 . . . A 87 LEU HB3 . 19749 1 943 . 1 1 87 87 LEU HG H 1 1.29 0.02 . 1 . . . A 87 LEU HG . 19749 1 944 . 1 1 87 87 LEU HD11 H 1 0.6 0.02 . 2 . . . A 87 LEU HD1 . 19749 1 945 . 1 1 87 87 LEU HD12 H 1 0.6 0.02 . 2 . . . A 87 LEU HD1 . 19749 1 946 . 1 1 87 87 LEU HD13 H 1 0.6 0.02 . 2 . . . A 87 LEU HD1 . 19749 1 947 . 1 1 87 87 LEU HD21 H 1 0.08 0.02 . 2 . . . A 87 LEU HD2 . 19749 1 948 . 1 1 87 87 LEU HD22 H 1 0.08 0.02 . 2 . . . A 87 LEU HD2 . 19749 1 949 . 1 1 87 87 LEU HD23 H 1 0.08 0.02 . 2 . . . A 87 LEU HD2 . 19749 1 950 . 1 1 87 87 LEU C C 13 178.6 0.2 . 1 . . . A 87 LEU C . 19749 1 951 . 1 1 87 87 LEU CA C 13 57.1 0.2 . 1 . . . A 87 LEU CA . 19749 1 952 . 1 1 87 87 LEU CB C 13 42.4 0.2 . 1 . . . A 87 LEU CB . 19749 1 953 . 1 1 87 87 LEU CG C 13 26.6 0.2 . 1 . . . A 87 LEU CG . 19749 1 954 . 1 1 87 87 LEU CD1 C 13 25.9 0.2 . 2 . . . A 87 LEU CD1 . 19749 1 955 . 1 1 87 87 LEU CD2 C 13 24.1 0.2 . 2 . . . A 87 LEU CD2 . 19749 1 956 . 1 1 87 87 LEU N N 15 122.2 0.2 . 1 . . . A 87 LEU N . 19749 1 957 . 1 1 88 88 GLY H H 1 8.87 0.02 . 1 . . . A 88 GLY H . 19749 1 958 . 1 1 88 88 GLY HA2 H 1 4.07 0.02 . 2 . . . A 88 GLY HA2 . 19749 1 959 . 1 1 88 88 GLY HA3 H 1 3.8 0.02 . 2 . . . A 88 GLY HA3 . 19749 1 960 . 1 1 88 88 GLY C C 13 176.9 0.2 . 1 . . . A 88 GLY C . 19749 1 961 . 1 1 88 88 GLY CA C 13 47.4 0.2 . 1 . . . A 88 GLY CA . 19749 1 962 . 1 1 88 88 GLY N N 15 105.2 0.2 . 1 . . . A 88 GLY N . 19749 1 963 . 1 1 89 89 GLU H H 1 7.67 0.02 . 1 . . . A 89 GLU H . 19749 1 964 . 1 1 89 89 GLU HA H 1 3.93 0.02 . 1 . . . A 89 GLU HA . 19749 1 965 . 1 1 89 89 GLU HB2 H 1 2.22 0.02 . 2 . . . A 89 GLU HB2 . 19749 1 966 . 1 1 89 89 GLU HB3 H 1 2.14 0.02 . 2 . . . A 89 GLU HB3 . 19749 1 967 . 1 1 89 89 GLU HG2 H 1 2.32 0.02 . 2 . . . A 89 GLU HG2 . 19749 1 968 . 1 1 89 89 GLU HG3 H 1 2.32 0.02 . 2 . . . A 89 GLU HG3 . 19749 1 969 . 1 1 89 89 GLU C C 13 177.6 0.2 . 1 . . . A 89 GLU C . 19749 1 970 . 1 1 89 89 GLU CA C 13 58.9 0.2 . 1 . . . A 89 GLU CA . 19749 1 971 . 1 1 89 89 GLU CB C 13 31 0.2 . 1 . . . A 89 GLU CB . 19749 1 972 . 1 1 89 89 GLU CG C 13 37.3 0.2 . 1 . . . A 89 GLU CG . 19749 1 973 . 1 1 89 89 GLU N N 15 122 0.2 . 1 . . . A 89 GLU N . 19749 1 974 . 1 1 90 90 LEU H H 1 6.88 0.02 . 1 . . . A 90 LEU H . 19749 1 975 . 1 1 90 90 LEU HA H 1 2.43 0.02 . 1 . . . A 90 LEU HA . 19749 1 976 . 1 1 90 90 LEU HB2 H 1 1.52 0.02 . 2 . . . A 90 LEU HB2 . 19749 1 977 . 1 1 90 90 LEU HB3 H 1 1.02 0.02 . 2 . . . A 90 LEU HB3 . 19749 1 978 . 1 1 90 90 LEU HG H 1 1.24 0.02 . 1 . . . A 90 LEU HG . 19749 1 979 . 1 1 90 90 LEU HD11 H 1 0.7 0.02 . 2 . . . A 90 LEU HD1 . 19749 1 980 . 1 1 90 90 LEU HD12 H 1 0.7 0.02 . 2 . . . A 90 LEU HD1 . 19749 1 981 . 1 1 90 90 LEU HD13 H 1 0.7 0.02 . 2 . . . A 90 LEU HD1 . 19749 1 982 . 1 1 90 90 LEU HD21 H 1 0.46 0.02 . 2 . . . A 90 LEU HD2 . 19749 1 983 . 1 1 90 90 LEU HD22 H 1 0.46 0.02 . 2 . . . A 90 LEU HD2 . 19749 1 984 . 1 1 90 90 LEU HD23 H 1 0.46 0.02 . 2 . . . A 90 LEU HD2 . 19749 1 985 . 1 1 90 90 LEU C C 13 177.2 0.2 . 1 . . . A 90 LEU C . 19749 1 986 . 1 1 90 90 LEU CA C 13 58.7 0.2 . 1 . . . A 90 LEU CA . 19749 1 987 . 1 1 90 90 LEU CB C 13 42.1 0.2 . 1 . . . A 90 LEU CB . 19749 1 988 . 1 1 90 90 LEU CG C 13 27.1 0.2 . 1 . . . A 90 LEU CG . 19749 1 989 . 1 1 90 90 LEU CD1 C 13 28.2 0.2 . 2 . . . A 90 LEU CD1 . 19749 1 990 . 1 1 90 90 LEU CD2 C 13 25.1 0.2 . 2 . . . A 90 LEU CD2 . 19749 1 991 . 1 1 90 90 LEU N N 15 122.3 0.2 . 1 . . . A 90 LEU N . 19749 1 992 . 1 1 91 91 ILE H H 1 7.88 0.02 . 1 . . . A 91 ILE H . 19749 1 993 . 1 1 91 91 ILE HA H 1 3.11 0.02 . 1 . . . A 91 ILE HA . 19749 1 994 . 1 1 91 91 ILE HB H 1 1.44 0.02 . 1 . . . A 91 ILE HB . 19749 1 995 . 1 1 91 91 ILE HG12 H 1 0.8 0.02 . 2 . . . A 91 ILE HG12 . 19749 1 996 . 1 1 91 91 ILE HG13 H 1 -0.26 0.02 . 2 . . . A 91 ILE HG13 . 19749 1 997 . 1 1 91 91 ILE HG21 H 1 -0.01 0.02 . 1 . . . A 91 ILE HG2 . 19749 1 998 . 1 1 91 91 ILE HG22 H 1 -0.01 0.02 . 1 . . . A 91 ILE HG2 . 19749 1 999 . 1 1 91 91 ILE HG23 H 1 -0.01 0.02 . 1 . . . A 91 ILE HG2 . 19749 1 1000 . 1 1 91 91 ILE HD11 H 1 -0.1 0.02 . 1 . . . A 91 ILE HD1 . 19749 1 1001 . 1 1 91 91 ILE HD12 H 1 -0.1 0.02 . 1 . . . A 91 ILE HD1 . 19749 1 1002 . 1 1 91 91 ILE HD13 H 1 -0.1 0.02 . 1 . . . A 91 ILE HD1 . 19749 1 1003 . 1 1 91 91 ILE C C 13 177.7 0.2 . 1 . . . A 91 ILE C . 19749 1 1004 . 1 1 91 91 ILE CA C 13 61.4 0.2 . 1 . . . A 91 ILE CA . 19749 1 1005 . 1 1 91 91 ILE CB C 13 35.4 0.2 . 1 . . . A 91 ILE CB . 19749 1 1006 . 1 1 91 91 ILE CG1 C 13 26.6 0.2 . 1 . . . A 91 ILE CG1 . 19749 1 1007 . 1 1 91 91 ILE CG2 C 13 17.3 0.2 . 1 . . . A 91 ILE CG2 . 19749 1 1008 . 1 1 91 91 ILE CD1 C 13 9.9 0.2 . 1 . . . A 91 ILE CD1 . 19749 1 1009 . 1 1 91 91 ILE N N 15 118.8 0.2 . 1 . . . A 91 ILE N . 19749 1 1010 . 1 1 92 92 GLY H H 1 7.57 0.02 . 1 . . . A 92 GLY H . 19749 1 1011 . 1 1 92 92 GLY HA2 H 1 3.66 0.02 . 2 . . . A 92 GLY HA2 . 19749 1 1012 . 1 1 92 92 GLY HA3 H 1 3.66 0.02 . 2 . . . A 92 GLY HA3 . 19749 1 1013 . 1 1 92 92 GLY C C 13 176.4 0.2 . 1 . . . A 92 GLY C . 19749 1 1014 . 1 1 92 92 GLY CA C 13 46.8 0.2 . 1 . . . A 92 GLY CA . 19749 1 1015 . 1 1 92 92 GLY N N 15 103.9 0.2 . 1 . . . A 92 GLY N . 19749 1 1016 . 1 1 93 93 LEU H H 1 7.36 0.02 . 1 . . . A 93 LEU H . 19749 1 1017 . 1 1 93 93 LEU HA H 1 4.08 0.02 . 1 . . . A 93 LEU HA . 19749 1 1018 . 1 1 93 93 LEU HB2 H 1 1.55 0.02 . 2 . . . A 93 LEU HB2 . 19749 1 1019 . 1 1 93 93 LEU HB3 H 1 1.41 0.02 . 2 . . . A 93 LEU HB3 . 19749 1 1020 . 1 1 93 93 LEU HG H 1 1.38 0.02 . 1 . . . A 93 LEU HG . 19749 1 1021 . 1 1 93 93 LEU HD11 H 1 0.55 0.02 . 2 . . . A 93 LEU HD1 . 19749 1 1022 . 1 1 93 93 LEU HD12 H 1 0.55 0.02 . 2 . . . A 93 LEU HD1 . 19749 1 1023 . 1 1 93 93 LEU HD13 H 1 0.55 0.02 . 2 . . . A 93 LEU HD1 . 19749 1 1024 . 1 1 93 93 LEU HD21 H 1 0.65 0.02 . 2 . . . A 93 LEU HD2 . 19749 1 1025 . 1 1 93 93 LEU HD22 H 1 0.65 0.02 . 2 . . . A 93 LEU HD2 . 19749 1 1026 . 1 1 93 93 LEU HD23 H 1 0.65 0.02 . 2 . . . A 93 LEU HD2 . 19749 1 1027 . 1 1 93 93 LEU C C 13 179.1 0.2 . 1 . . . A 93 LEU C . 19749 1 1028 . 1 1 93 93 LEU CA C 13 57.4 0.2 . 1 . . . A 93 LEU CA . 19749 1 1029 . 1 1 93 93 LEU CB C 13 40.8 0.2 . 1 . . . A 93 LEU CB . 19749 1 1030 . 1 1 93 93 LEU CG C 13 27.3 0.2 . 1 . . . A 93 LEU CG . 19749 1 1031 . 1 1 93 93 LEU CD1 C 13 23.6 0.2 . 2 . . . A 93 LEU CD1 . 19749 1 1032 . 1 1 93 93 LEU CD2 C 13 23.5 0.2 . 2 . . . A 93 LEU CD2 . 19749 1 1033 . 1 1 93 93 LEU N N 15 123.2 0.2 . 1 . . . A 93 LEU N . 19749 1 1034 . 1 1 94 94 TYR H H 1 7.38 0.02 . 1 . . . A 94 TYR H . 19749 1 1035 . 1 1 94 94 TYR HA H 1 4.23 0.02 . 1 . . . A 94 TYR HA . 19749 1 1036 . 1 1 94 94 TYR HB2 H 1 3.05 0.02 . 2 . . . A 94 TYR HB2 . 19749 1 1037 . 1 1 94 94 TYR HB3 H 1 2.25 0.02 . 2 . . . A 94 TYR HB3 . 19749 1 1038 . 1 1 94 94 TYR HD1 H 1 6.89 0.02 . 3 . . . A 94 TYR HD1 . 19749 1 1039 . 1 1 94 94 TYR HD2 H 1 6.89 0.02 . 3 . . . A 94 TYR HD2 . 19749 1 1040 . 1 1 94 94 TYR HE1 H 1 6.54 0.02 . 3 . . . A 94 TYR HE1 . 19749 1 1041 . 1 1 94 94 TYR HE2 H 1 6.54 0.02 . 3 . . . A 94 TYR HE2 . 19749 1 1042 . 1 1 94 94 TYR C C 13 175.6 0.2 . 1 . . . A 94 TYR C . 19749 1 1043 . 1 1 94 94 TYR CA C 13 60.2 0.2 . 1 . . . A 94 TYR CA . 19749 1 1044 . 1 1 94 94 TYR CB C 13 36.6 0.2 . 1 . . . A 94 TYR CB . 19749 1 1045 . 1 1 94 94 TYR CD1 C 13 132.7 0.2 . 3 . . . A 94 TYR CD1 . 19749 1 1046 . 1 1 94 94 TYR CD2 C 13 132.7 0.2 . 3 . . . A 94 TYR CD2 . 19749 1 1047 . 1 1 94 94 TYR CE1 C 13 117.3 0.2 . 3 . . . A 94 TYR CE1 . 19749 1 1048 . 1 1 94 94 TYR CE2 C 13 117.3 0.2 . 3 . . . A 94 TYR CE2 . 19749 1 1049 . 1 1 94 94 TYR N N 15 114 0.2 . 1 . . . A 94 TYR N . 19749 1 1050 . 1 1 95 95 ALA H H 1 7.33 0.02 . 1 . . . A 95 ALA H . 19749 1 1051 . 1 1 95 95 ALA HA H 1 4.36 0.02 . 1 . . . A 95 ALA HA . 19749 1 1052 . 1 1 95 95 ALA HB1 H 1 1.44 0.02 . 1 . . . A 95 ALA HB . 19749 1 1053 . 1 1 95 95 ALA HB2 H 1 1.44 0.02 . 1 . . . A 95 ALA HB . 19749 1 1054 . 1 1 95 95 ALA HB3 H 1 1.44 0.02 . 1 . . . A 95 ALA HB . 19749 1 1055 . 1 1 95 95 ALA C C 13 177.3 0.2 . 1 . . . A 95 ALA C . 19749 1 1056 . 1 1 95 95 ALA CA C 13 53.9 0.2 . 1 . . . A 95 ALA CA . 19749 1 1057 . 1 1 95 95 ALA CB C 13 19 0.2 . 1 . . . A 95 ALA CB . 19749 1 1058 . 1 1 95 95 ALA N N 15 123.1 0.2 . 1 . . . A 95 ALA N . 19749 1 1059 . 1 1 96 96 GLN H H 1 7.62 0.02 . 1 . . . A 96 GLN H . 19749 1 1060 . 1 1 96 96 GLN HA H 1 4.54 0.02 . 1 . . . A 96 GLN HA . 19749 1 1061 . 1 1 96 96 GLN HB2 H 1 2.15 0.02 . 2 . . . A 96 GLN HB2 . 19749 1 1062 . 1 1 96 96 GLN HB3 H 1 2.04 0.02 . 2 . . . A 96 GLN HB3 . 19749 1 1063 . 1 1 96 96 GLN HG2 H 1 2.5 0.02 . 2 . . . A 96 GLN HG2 . 19749 1 1064 . 1 1 96 96 GLN HG3 H 1 2.4 0.02 . 2 . . . A 96 GLN HG3 . 19749 1 1065 . 1 1 96 96 GLN HE21 H 1 7.41 0.02 . 2 . . . A 96 GLN HE21 . 19749 1 1066 . 1 1 96 96 GLN HE22 H 1 6.85 0.02 . 2 . . . A 96 GLN HE22 . 19749 1 1067 . 1 1 96 96 GLN CA C 13 53 0.2 . 1 . . . A 96 GLN CA . 19749 1 1068 . 1 1 96 96 GLN CB C 13 28.6 0.2 . 1 . . . A 96 GLN CB . 19749 1 1069 . 1 1 96 96 GLN CG C 13 33.9 0.2 . 1 . . . A 96 GLN CG . 19749 1 1070 . 1 1 96 96 GLN N N 15 116.5 0.2 . 1 . . . A 96 GLN N . 19749 1 1071 . 1 1 96 96 GLN NE2 N 15 112 0.2 . 1 . . . A 96 GLN NE2 . 19749 1 1072 . 1 1 97 97 PRO HA H 1 4.24 0.02 . 1 . . . A 97 PRO HA . 19749 1 1073 . 1 1 97 97 PRO HB2 H 1 2.25 0.02 . 2 . . . A 97 PRO HB2 . 19749 1 1074 . 1 1 97 97 PRO HB3 H 1 1.89 0.02 . 2 . . . A 97 PRO HB3 . 19749 1 1075 . 1 1 97 97 PRO HG2 H 1 1.99 0.02 . 2 . . . A 97 PRO HG2 . 19749 1 1076 . 1 1 97 97 PRO HG3 H 1 1.99 0.02 . 2 . . . A 97 PRO HG3 . 19749 1 1077 . 1 1 97 97 PRO HD2 H 1 3.77 0.02 . 2 . . . A 97 PRO HD2 . 19749 1 1078 . 1 1 97 97 PRO HD3 H 1 3.65 0.02 . 2 . . . A 97 PRO HD3 . 19749 1 1079 . 1 1 97 97 PRO C C 13 176.8 0.2 . 1 . . . A 97 PRO C . 19749 1 1080 . 1 1 97 97 PRO CA C 13 62.8 0.2 . 1 . . . A 97 PRO CA . 19749 1 1081 . 1 1 97 97 PRO CB C 13 32.8 0.2 . 1 . . . A 97 PRO CB . 19749 1 1082 . 1 1 97 97 PRO CG C 13 27.3 0.2 . 1 . . . A 97 PRO CG . 19749 1 1083 . 1 1 97 97 PRO CD C 13 50.1 0.2 . 1 . . . A 97 PRO CD . 19749 1 1084 . 1 1 98 98 ASN H H 1 8.96 0.02 . 1 . . . A 98 ASN H . 19749 1 1085 . 1 1 98 98 ASN HA H 1 4.48 0.02 . 1 . . . A 98 ASN HA . 19749 1 1086 . 1 1 98 98 ASN HB2 H 1 2.96 0.02 . 2 . . . A 98 ASN HB2 . 19749 1 1087 . 1 1 98 98 ASN HB3 H 1 2.83 0.02 . 2 . . . A 98 ASN HB3 . 19749 1 1088 . 1 1 98 98 ASN HD21 H 1 7.63 0.02 . 2 . . . A 98 ASN HD21 . 19749 1 1089 . 1 1 98 98 ASN HD22 H 1 6.91 0.02 . 2 . . . A 98 ASN HD22 . 19749 1 1090 . 1 1 98 98 ASN C C 13 175.1 0.2 . 1 . . . A 98 ASN C . 19749 1 1091 . 1 1 98 98 ASN CA C 13 54.3 0.2 . 1 . . . A 98 ASN CA . 19749 1 1092 . 1 1 98 98 ASN CB C 13 36.9 0.2 . 1 . . . A 98 ASN CB . 19749 1 1093 . 1 1 98 98 ASN N N 15 114.9 0.2 . 1 . . . A 98 ASN N . 19749 1 1094 . 1 1 98 98 ASN ND2 N 15 114 0.2 . 1 . . . A 98 ASN ND2 . 19749 1 1095 . 1 1 99 99 GLN H H 1 8.61 0.02 . 1 . . . A 99 GLN H . 19749 1 1096 . 1 1 99 99 GLN HA H 1 4.5 0.02 . 1 . . . A 99 GLN HA . 19749 1 1097 . 1 1 99 99 GLN HB2 H 1 2.31 0.02 . 2 . . . A 99 GLN HB2 . 19749 1 1098 . 1 1 99 99 GLN HB3 H 1 1.77 0.02 . 2 . . . A 99 GLN HB3 . 19749 1 1099 . 1 1 99 99 GLN HG2 H 1 2.12 0.02 . 2 . . . A 99 GLN HG2 . 19749 1 1100 . 1 1 99 99 GLN HG3 H 1 2.07 0.02 . 2 . . . A 99 GLN HG3 . 19749 1 1101 . 1 1 99 99 GLN HE21 H 1 6.69 0.02 . 2 . . . A 99 GLN HE21 . 19749 1 1102 . 1 1 99 99 GLN HE22 H 1 6.6 0.02 . 2 . . . A 99 GLN HE22 . 19749 1 1103 . 1 1 99 99 GLN C C 13 176.1 0.2 . 1 . . . A 99 GLN C . 19749 1 1104 . 1 1 99 99 GLN CA C 13 54.3 0.2 . 1 . . . A 99 GLN CA . 19749 1 1105 . 1 1 99 99 GLN CB C 13 29.6 0.2 . 1 . . . A 99 GLN CB . 19749 1 1106 . 1 1 99 99 GLN CG C 13 32.6 0.2 . 1 . . . A 99 GLN CG . 19749 1 1107 . 1 1 99 99 GLN N N 15 115.4 0.2 . 1 . . . A 99 GLN N . 19749 1 1108 . 1 1 99 99 GLN NE2 N 15 112.2 0.2 . 1 . . . A 99 GLN NE2 . 19749 1 1109 . 1 1 100 100 GLY H H 1 8.46 0.02 . 1 . . . A 100 GLY H . 19749 1 1110 . 1 1 100 100 GLY HA2 H 1 4.43 0.02 . 2 . . . A 100 GLY HA2 . 19749 1 1111 . 1 1 100 100 GLY HA3 H 1 3.58 0.02 . 2 . . . A 100 GLY HA3 . 19749 1 1112 . 1 1 100 100 GLY C C 13 174.6 0.2 . 1 . . . A 100 GLY C . 19749 1 1113 . 1 1 100 100 GLY CA C 13 45.4 0.2 . 1 . . . A 100 GLY CA . 19749 1 1114 . 1 1 100 100 GLY N N 15 107.4 0.2 . 1 . . . A 100 GLY N . 19749 1 1115 . 1 1 101 101 LEU H H 1 8.02 0.02 . 1 . . . A 101 LEU H . 19749 1 1116 . 1 1 101 101 LEU HA H 1 4.38 0.02 . 1 . . . A 101 LEU HA . 19749 1 1117 . 1 1 101 101 LEU HB2 H 1 1.72 0.02 . 2 . . . A 101 LEU HB2 . 19749 1 1118 . 1 1 101 101 LEU HB3 H 1 1.02 0.02 . 2 . . . A 101 LEU HB3 . 19749 1 1119 . 1 1 101 101 LEU HG H 1 1.03 0.02 . 1 . . . A 101 LEU HG . 19749 1 1120 . 1 1 101 101 LEU HD11 H 1 -0.01 0.02 . 2 . . . A 101 LEU HD1 . 19749 1 1121 . 1 1 101 101 LEU HD12 H 1 -0.01 0.02 . 2 . . . A 101 LEU HD1 . 19749 1 1122 . 1 1 101 101 LEU HD13 H 1 -0.01 0.02 . 2 . . . A 101 LEU HD1 . 19749 1 1123 . 1 1 101 101 LEU HD21 H 1 -0.55 0.02 . 2 . . . A 101 LEU HD2 . 19749 1 1124 . 1 1 101 101 LEU HD22 H 1 -0.55 0.02 . 2 . . . A 101 LEU HD2 . 19749 1 1125 . 1 1 101 101 LEU HD23 H 1 -0.55 0.02 . 2 . . . A 101 LEU HD2 . 19749 1 1126 . 1 1 101 101 LEU C C 13 178 0.2 . 1 . . . A 101 LEU C . 19749 1 1127 . 1 1 101 101 LEU CA C 13 52.9 0.2 . 1 . . . A 101 LEU CA . 19749 1 1128 . 1 1 101 101 LEU CB C 13 42.4 0.2 . 1 . . . A 101 LEU CB . 19749 1 1129 . 1 1 101 101 LEU CG C 13 27 0.2 . 1 . . . A 101 LEU CG . 19749 1 1130 . 1 1 101 101 LEU CD1 C 13 24.9 0.2 . 2 . . . A 101 LEU CD1 . 19749 1 1131 . 1 1 101 101 LEU CD2 C 13 19.7 0.2 . 2 . . . A 101 LEU CD2 . 19749 1 1132 . 1 1 101 101 LEU N N 15 118.4 0.2 . 1 . . . A 101 LEU N . 19749 1 1133 . 1 1 102 102 VAL H H 1 7.26 0.02 . 1 . . . A 102 VAL H . 19749 1 1134 . 1 1 102 102 VAL HA H 1 3.59 0.02 . 1 . . . A 102 VAL HA . 19749 1 1135 . 1 1 102 102 VAL HB H 1 1.52 0.02 . 1 . . . A 102 VAL HB . 19749 1 1136 . 1 1 102 102 VAL HG11 H 1 0.52 0.02 . 2 . . . A 102 VAL HG1 . 19749 1 1137 . 1 1 102 102 VAL HG12 H 1 0.52 0.02 . 2 . . . A 102 VAL HG1 . 19749 1 1138 . 1 1 102 102 VAL HG13 H 1 0.52 0.02 . 2 . . . A 102 VAL HG1 . 19749 1 1139 . 1 1 102 102 VAL HG21 H 1 0.36 0.02 . 2 . . . A 102 VAL HG2 . 19749 1 1140 . 1 1 102 102 VAL HG22 H 1 0.36 0.02 . 2 . . . A 102 VAL HG2 . 19749 1 1141 . 1 1 102 102 VAL HG23 H 1 0.36 0.02 . 2 . . . A 102 VAL HG2 . 19749 1 1142 . 1 1 102 102 VAL C C 13 173.6 0.2 . 1 . . . A 102 VAL C . 19749 1 1143 . 1 1 102 102 VAL CA C 13 63.6 0.2 . 1 . . . A 102 VAL CA . 19749 1 1144 . 1 1 102 102 VAL CB C 13 31.1 0.2 . 1 . . . A 102 VAL CB . 19749 1 1145 . 1 1 102 102 VAL CG1 C 13 20.3 0.2 . 2 . . . A 102 VAL CG1 . 19749 1 1146 . 1 1 102 102 VAL CG2 C 13 19.4 0.2 . 2 . . . A 102 VAL CG2 . 19749 1 1147 . 1 1 102 102 VAL N N 15 114.7 0.2 . 1 . . . A 102 VAL N . 19749 1 1148 . 1 1 103 103 CYS H H 1 6.92 0.02 . 1 . . . A 103 CYS H . 19749 1 1149 . 1 1 103 103 CYS HA H 1 4.24 0.02 . 1 . . . A 103 CYS HA . 19749 1 1150 . 1 1 103 103 CYS HB2 H 1 2.9 0.02 . 2 . . . A 103 CYS HB2 . 19749 1 1151 . 1 1 103 103 CYS HB3 H 1 2.15 0.02 . 2 . . . A 103 CYS HB3 . 19749 1 1152 . 1 1 103 103 CYS C C 13 170.6 0.2 . 1 . . . A 103 CYS C . 19749 1 1153 . 1 1 103 103 CYS CA C 13 56.1 0.2 . 1 . . . A 103 CYS CA . 19749 1 1154 . 1 1 103 103 CYS CB C 13 29.6 0.2 . 1 . . . A 103 CYS CB . 19749 1 1155 . 1 1 103 103 CYS N N 15 112.4 0.2 . 1 . . . A 103 CYS N . 19749 1 1156 . 1 1 104 104 ALA H H 1 7.84 0.02 . 1 . . . A 104 ALA H . 19749 1 1157 . 1 1 104 104 ALA HA H 1 4.21 0.02 . 1 . . . A 104 ALA HA . 19749 1 1158 . 1 1 104 104 ALA HB1 H 1 1.02 0.02 . 1 . . . A 104 ALA HB . 19749 1 1159 . 1 1 104 104 ALA HB2 H 1 1.02 0.02 . 1 . . . A 104 ALA HB . 19749 1 1160 . 1 1 104 104 ALA HB3 H 1 1.02 0.02 . 1 . . . A 104 ALA HB . 19749 1 1161 . 1 1 104 104 ALA C C 13 176.3 0.2 . 1 . . . A 104 ALA C . 19749 1 1162 . 1 1 104 104 ALA CA C 13 51.6 0.2 . 1 . . . A 104 ALA CA . 19749 1 1163 . 1 1 104 104 ALA CB C 13 19.4 0.2 . 1 . . . A 104 ALA CB . 19749 1 1164 . 1 1 104 104 ALA N N 15 119.6 0.2 . 1 . . . A 104 ALA N . 19749 1 1165 . 1 1 105 105 LEU H H 1 7.61 0.02 . 1 . . . A 105 LEU H . 19749 1 1166 . 1 1 105 105 LEU HA H 1 3.78 0.02 . 1 . . . A 105 LEU HA . 19749 1 1167 . 1 1 105 105 LEU HB2 H 1 0.82 0.02 . 2 . . . A 105 LEU HB2 . 19749 1 1168 . 1 1 105 105 LEU HB3 H 1 -0.59 0.02 . 2 . . . A 105 LEU HB3 . 19749 1 1169 . 1 1 105 105 LEU HG H 1 1.16 0.02 . 1 . . . A 105 LEU HG . 19749 1 1170 . 1 1 105 105 LEU HD11 H 1 0.01 0.02 . 2 . . . A 105 LEU HD1 . 19749 1 1171 . 1 1 105 105 LEU HD12 H 1 0.01 0.02 . 2 . . . A 105 LEU HD1 . 19749 1 1172 . 1 1 105 105 LEU HD13 H 1 0.01 0.02 . 2 . . . A 105 LEU HD1 . 19749 1 1173 . 1 1 105 105 LEU HD21 H 1 0.17 0.02 . 2 . . . A 105 LEU HD2 . 19749 1 1174 . 1 1 105 105 LEU HD22 H 1 0.17 0.02 . 2 . . . A 105 LEU HD2 . 19749 1 1175 . 1 1 105 105 LEU HD23 H 1 0.17 0.02 . 2 . . . A 105 LEU HD2 . 19749 1 1176 . 1 1 105 105 LEU C C 13 175.4 0.2 . 1 . . . A 105 LEU C . 19749 1 1177 . 1 1 105 105 LEU CA C 13 53.6 0.2 . 1 . . . A 105 LEU CA . 19749 1 1178 . 1 1 105 105 LEU CB C 13 37.4 0.2 . 1 . . . A 105 LEU CB . 19749 1 1179 . 1 1 105 105 LEU CG C 13 24.8 0.2 . 1 . . . A 105 LEU CG . 19749 1 1180 . 1 1 105 105 LEU CD1 C 13 27.3 0.2 . 2 . . . A 105 LEU CD1 . 19749 1 1181 . 1 1 105 105 LEU CD2 C 13 21.9 0.2 . 2 . . . A 105 LEU CD2 . 19749 1 1182 . 1 1 105 105 LEU N N 15 117.1 0.2 . 1 . . . A 105 LEU N . 19749 1 1183 . 1 1 106 106 LEU H H 1 8.16 0.02 . 1 . . . A 106 LEU H . 19749 1 1184 . 1 1 106 106 LEU HA H 1 4.6 0.02 . 1 . . . A 106 LEU HA . 19749 1 1185 . 1 1 106 106 LEU HB2 H 1 1.63 0.02 . 2 . . . A 106 LEU HB2 . 19749 1 1186 . 1 1 106 106 LEU HB3 H 1 1.63 0.02 . 2 . . . A 106 LEU HB3 . 19749 1 1187 . 1 1 106 106 LEU HG H 1 1.6 0.02 . 1 . . . A 106 LEU HG . 19749 1 1188 . 1 1 106 106 LEU HD11 H 1 0.98 0.02 . 2 . . . A 106 LEU HD1 . 19749 1 1189 . 1 1 106 106 LEU HD12 H 1 0.98 0.02 . 2 . . . A 106 LEU HD1 . 19749 1 1190 . 1 1 106 106 LEU HD13 H 1 0.98 0.02 . 2 . . . A 106 LEU HD1 . 19749 1 1191 . 1 1 106 106 LEU HD21 H 1 0.88 0.02 . 2 . . . A 106 LEU HD2 . 19749 1 1192 . 1 1 106 106 LEU HD22 H 1 0.88 0.02 . 2 . . . A 106 LEU HD2 . 19749 1 1193 . 1 1 106 106 LEU HD23 H 1 0.88 0.02 . 2 . . . A 106 LEU HD2 . 19749 1 1194 . 1 1 106 106 LEU C C 13 177.6 0.2 . 1 . . . A 106 LEU C . 19749 1 1195 . 1 1 106 106 LEU CA C 13 56.3 0.2 . 1 . . . A 106 LEU CA . 19749 1 1196 . 1 1 106 106 LEU CB C 13 46 0.2 . 1 . . . A 106 LEU CB . 19749 1 1197 . 1 1 106 106 LEU CG C 13 26.5 0.2 . 1 . . . A 106 LEU CG . 19749 1 1198 . 1 1 106 106 LEU CD1 C 13 24.8 0.2 . 2 . . . A 106 LEU CD1 . 19749 1 1199 . 1 1 106 106 LEU CD2 C 13 23.6 0.2 . 2 . . . A 106 LEU CD2 . 19749 1 1200 . 1 1 106 106 LEU N N 15 124.7 0.2 . 1 . . . A 106 LEU N . 19749 1 1201 . 1 1 107 107 LEU H H 1 7.93 0.02 . 1 . . . A 107 LEU H . 19749 1 1202 . 1 1 107 107 LEU HA H 1 5.11 0.02 . 1 . . . A 107 LEU HA . 19749 1 1203 . 1 1 107 107 LEU HB2 H 1 1.59 0.02 . 2 . . . A 107 LEU HB2 . 19749 1 1204 . 1 1 107 107 LEU HB3 H 1 1.59 0.02 . 2 . . . A 107 LEU HB3 . 19749 1 1205 . 1 1 107 107 LEU HG H 1 1.44 0.02 . 1 . . . A 107 LEU HG . 19749 1 1206 . 1 1 107 107 LEU HD11 H 1 0.89 0.02 . 2 . . . A 107 LEU HD1 . 19749 1 1207 . 1 1 107 107 LEU HD12 H 1 0.89 0.02 . 2 . . . A 107 LEU HD1 . 19749 1 1208 . 1 1 107 107 LEU HD13 H 1 0.89 0.02 . 2 . . . A 107 LEU HD1 . 19749 1 1209 . 1 1 107 107 LEU HD21 H 1 0.92 0.02 . 2 . . . A 107 LEU HD2 . 19749 1 1210 . 1 1 107 107 LEU HD22 H 1 0.92 0.02 . 2 . . . A 107 LEU HD2 . 19749 1 1211 . 1 1 107 107 LEU HD23 H 1 0.92 0.02 . 2 . . . A 107 LEU HD2 . 19749 1 1212 . 1 1 107 107 LEU CA C 13 51.7 0.2 . 1 . . . A 107 LEU CA . 19749 1 1213 . 1 1 107 107 LEU CB C 13 44.6 0.2 . 1 . . . A 107 LEU CB . 19749 1 1214 . 1 1 107 107 LEU CG C 13 26.6 0.2 . 1 . . . A 107 LEU CG . 19749 1 1215 . 1 1 107 107 LEU CD1 C 13 26 0.2 . 2 . . . A 107 LEU CD1 . 19749 1 1216 . 1 1 107 107 LEU CD2 C 13 24.1 0.2 . 2 . . . A 107 LEU CD2 . 19749 1 1217 . 1 1 107 107 LEU N N 15 121.4 0.2 . 1 . . . A 107 LEU N . 19749 1 1218 . 1 1 108 108 PRO HA H 1 3.43 0.02 . 1 . . . A 108 PRO HA . 19749 1 1219 . 1 1 108 108 PRO HB2 H 1 1.91 0.02 . 2 . . . A 108 PRO HB2 . 19749 1 1220 . 1 1 108 108 PRO HB3 H 1 1.91 0.02 . 2 . . . A 108 PRO HB3 . 19749 1 1221 . 1 1 108 108 PRO HG2 H 1 2.21 0.02 . 2 . . . A 108 PRO HG2 . 19749 1 1222 . 1 1 108 108 PRO HG3 H 1 2.13 0.02 . 2 . . . A 108 PRO HG3 . 19749 1 1223 . 1 1 108 108 PRO HD2 H 1 3.96 0.02 . 2 . . . A 108 PRO HD2 . 19749 1 1224 . 1 1 108 108 PRO HD3 H 1 3.77 0.02 . 2 . . . A 108 PRO HD3 . 19749 1 1225 . 1 1 108 108 PRO C C 13 176.5 0.2 . 1 . . . A 108 PRO C . 19749 1 1226 . 1 1 108 108 PRO CA C 13 62.4 0.2 . 1 . . . A 108 PRO CA . 19749 1 1227 . 1 1 108 108 PRO CB C 13 32.8 0.2 . 1 . . . A 108 PRO CB . 19749 1 1228 . 1 1 108 108 PRO CG C 13 27.1 0.2 . 1 . . . A 108 PRO CG . 19749 1 1229 . 1 1 108 108 PRO CD C 13 50.8 0.2 . 1 . . . A 108 PRO CD . 19749 1 1230 . 1 1 109 109 VAL H H 1 8.26 0.02 . 1 . . . A 109 VAL H . 19749 1 1231 . 1 1 109 109 VAL HA H 1 4.04 0.02 . 1 . . . A 109 VAL HA . 19749 1 1232 . 1 1 109 109 VAL HB H 1 1.79 0.02 . 1 . . . A 109 VAL HB . 19749 1 1233 . 1 1 109 109 VAL HG11 H 1 0.82 0.02 . 2 . . . A 109 VAL HG1 . 19749 1 1234 . 1 1 109 109 VAL HG12 H 1 0.82 0.02 . 2 . . . A 109 VAL HG1 . 19749 1 1235 . 1 1 109 109 VAL HG13 H 1 0.82 0.02 . 2 . . . A 109 VAL HG1 . 19749 1 1236 . 1 1 109 109 VAL HG21 H 1 0.82 0.02 . 2 . . . A 109 VAL HG2 . 19749 1 1237 . 1 1 109 109 VAL HG22 H 1 0.82 0.02 . 2 . . . A 109 VAL HG2 . 19749 1 1238 . 1 1 109 109 VAL HG23 H 1 0.82 0.02 . 2 . . . A 109 VAL HG2 . 19749 1 1239 . 1 1 109 109 VAL CA C 13 63.5 0.2 . 1 . . . A 109 VAL CA . 19749 1 1240 . 1 1 109 109 VAL CB C 13 34 0.2 . 1 . . . A 109 VAL CB . 19749 1 1241 . 1 1 109 109 VAL CG1 C 13 22.3 0.2 . 2 . . . A 109 VAL CG1 . 19749 1 1242 . 1 1 109 109 VAL CG2 C 13 22.5 0.2 . 2 . . . A 109 VAL CG2 . 19749 1 1243 . 1 1 109 109 VAL N N 15 128.6 0.2 . 1 . . . A 109 VAL N . 19749 1 stop_ save_