data_16424 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16424 _Entry.Title ; Solution Structure of BamE, a component of the outer membrane protein assembly machinery in Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-24 _Entry.Accession_date 2009-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Complete solution structure of E. coli BamE (also known as SmpA)' _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 Timothy Knowles . J. . 16424 2 Pooja Sridhar . . . 16424 3 Sandya Rajesh . . . 16424 4 Eleni Manoli . . . 16424 5 Ian Henderson . R. . 16424 6 Michael Overduin . . . 16424 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 . 'not applicable' 'not applicable' . 16424 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BAM complex' . 16424 BamE . 16424 Omp85 . 16424 SmpA . 16424 YaeT . 16424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 16424 '15N chemical shifts' 89 16424 '1H chemical shifts' 534 16424 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2009-07-24 update BMRB 'Update entry citation' 16424 1 . . 2010-06-15 2009-07-24 original author 'original release' 16424 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 16424 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526702 _Citation.Full_citation . _Citation.Title 'Secondary structure and 1H, 13C and 15N resonance assignments of BamE, a component of the outer membrane protein assembly machinery in Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 179 _Citation.Page_last 181 _Citation.Year 2010 _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 Timothy Knowles . J. . 16424 1 2 Pooja Sridhar . . . 16424 1 3 Sandya Rajesh . . . 16424 1 4 Eleni Manoli . . . 16424 1 5 Michael Overduin . . . 16424 1 6 Ian Henderson . R. . 16424 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16424 _Assembly.ID 1 _Assembly.Name BamE _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 BamE 1 $entity A . yes native no no . . . 16424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BamE _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 ; SSTLERVVYRPDINQGNYLT ANDVSKIRVGMTQQQVAYAL GTPLMSDPFGTNTWFYVFRQ QPGHEGVTQQTLTLTFNSSG VLTNIDNKPALSGNLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 20 is non native (C to S mutation) so as to remove an acylation site. Residues 114+115 non native required for cloning Residues 116-121 represent a non-native affinity tag ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C20S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11446.752 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16926 . E._coli_lipoprotein . . . . . 91.18 97 100.00 100.00 8.74e-61 . . . . 16424 1 2 no PDB 2KM7 . "Solution Structure Of Bame, A Component Of The Outer Membrane Protein Assembly Machinery In Escherichia Coli" . . . . . 100.00 102 100.00 100.00 1.96e-68 . . . . 16424 1 3 no PDB 2KXX . "Nmr Structure Of Escherichia Coli Bame, A Lipoprotein Component Of The Beta-Barrel Assembly Machinery Complex" . . . . . 91.18 97 100.00 100.00 8.74e-61 . . . . 16424 1 4 no PDB 2YH9 . "Crystal Structure Of The Dimeric Bame From E. Coli" . . . . . 86.27 88 97.73 97.73 3.85e-55 . . . . 16424 1 5 no DBJ BAA16502 . "small membrane lipoprotein [Escherichia coli str. K12 substr. W3110]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 6 no DBJ BAG78424 . "small protein A [Escherichia coli SE11]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 7 no DBJ BAI26856 . "small membrane lipoprotein SmpA [Escherichia coli O26:H11 str. 11368]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 8 no DBJ BAI31942 . "small membrane lipoprotein SmpA [Escherichia coli O103:H2 str. 12009]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 9 no DBJ BAI37148 . "small membrane lipoprotein SmpA [Escherichia coli O111:H- str. 11128]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 10 no EMBL CAH23267 . "small membrane protein A [Enterobacteria phage CP-1639]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 11 no EMBL CAP77059 . "Small protein A [Escherichia coli LF82]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 12 no EMBL CAQ32986 . "smpA, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 13 no EMBL CAQ88015 . "small membrane lipoprotein [Escherichia fergusonii ATCC 35469]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 14 no EMBL CAQ99565 . "small membrane lipoprotein [Escherichia coli IAI1]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 15 no GB AAA79787 . "ORF_o113 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 16 no GB AAC75666 . "lipoprotein component of BamABCDE OM biogenesis complex [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 17 no GB AAN44171 . "small membrane protein A [Shigella flexneri 2a str. 301]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 18 no GB AAN81589 . "Small protein A [Escherichia coli CFT073]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 19 no GB AAZ89390 . "small membrane protein A [Shigella sonnei Ss046]" . . . . . 92.16 99 98.94 98.94 4.01e-61 . . . . 16424 1 20 no REF NP_417107 . "lipoprotein component of BamABCDE OM biogenesis complex [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 21 no REF NP_708464 . "small membrane protein A [Shigella flexneri 2a str. 301]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 22 no REF WP_001203434 . "outer membrane biogenesis protein BamE [Escherichia albertii]" . . . . . 92.16 114 97.87 98.94 9.64e-62 . . . . 16424 1 23 no REF WP_001203436 . "outer membrane protein assembly factor BamE [Escherichia coli]" . . . . . 92.16 113 97.87 97.87 2.97e-61 . . . . 16424 1 24 no REF WP_001203437 . "MULTISPECIES: outer membrane protein assembly factor BamE [Proteobacteria]" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 25 no SP P0A937 . "RecName: Full=Outer membrane protein assembly factor BamE; Flags: Precursor" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 26 no SP P0A938 . "RecName: Full=Outer membrane protein assembly factor BamE; Flags: Precursor" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 27 no SP P0A939 . "RecName: Full=Outer membrane protein assembly factor BamE; Flags: Precursor" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 1 28 no SP Q32CX2 . "RecName: Full=Outer membrane protein assembly factor BamE; Flags: Precursor" . . . . . 92.16 113 98.94 98.94 8.56e-62 . . . . 16424 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 20 SER . 16424 1 2 21 SER . 16424 1 3 22 THR . 16424 1 4 23 LEU . 16424 1 5 24 GLU . 16424 1 6 25 ARG . 16424 1 7 26 VAL . 16424 1 8 27 VAL . 16424 1 9 28 TYR . 16424 1 10 29 ARG . 16424 1 11 30 PRO . 16424 1 12 31 ASP . 16424 1 13 32 ILE . 16424 1 14 33 ASN . 16424 1 15 34 GLN . 16424 1 16 35 GLY . 16424 1 17 36 ASN . 16424 1 18 37 TYR . 16424 1 19 38 LEU . 16424 1 20 39 THR . 16424 1 21 40 ALA . 16424 1 22 41 ASN . 16424 1 23 42 ASP . 16424 1 24 43 VAL . 16424 1 25 44 SER . 16424 1 26 45 LYS . 16424 1 27 46 ILE . 16424 1 28 47 ARG . 16424 1 29 48 VAL . 16424 1 30 49 GLY . 16424 1 31 50 MET . 16424 1 32 51 THR . 16424 1 33 52 GLN . 16424 1 34 53 GLN . 16424 1 35 54 GLN . 16424 1 36 55 VAL . 16424 1 37 56 ALA . 16424 1 38 57 TYR . 16424 1 39 58 ALA . 16424 1 40 59 LEU . 16424 1 41 60 GLY . 16424 1 42 61 THR . 16424 1 43 62 PRO . 16424 1 44 63 LEU . 16424 1 45 64 MET . 16424 1 46 65 SER . 16424 1 47 66 ASP . 16424 1 48 67 PRO . 16424 1 49 68 PHE . 16424 1 50 69 GLY . 16424 1 51 70 THR . 16424 1 52 71 ASN . 16424 1 53 72 THR . 16424 1 54 73 TRP . 16424 1 55 74 PHE . 16424 1 56 75 TYR . 16424 1 57 76 VAL . 16424 1 58 77 PHE . 16424 1 59 78 ARG . 16424 1 60 79 GLN . 16424 1 61 80 GLN . 16424 1 62 81 PRO . 16424 1 63 82 GLY . 16424 1 64 83 HIS . 16424 1 65 84 GLU . 16424 1 66 85 GLY . 16424 1 67 86 VAL . 16424 1 68 87 THR . 16424 1 69 88 GLN . 16424 1 70 89 GLN . 16424 1 71 90 THR . 16424 1 72 91 LEU . 16424 1 73 92 THR . 16424 1 74 93 LEU . 16424 1 75 94 THR . 16424 1 76 95 PHE . 16424 1 77 96 ASN . 16424 1 78 97 SER . 16424 1 79 98 SER . 16424 1 80 99 GLY . 16424 1 81 100 VAL . 16424 1 82 101 LEU . 16424 1 83 102 THR . 16424 1 84 103 ASN . 16424 1 85 104 ILE . 16424 1 86 105 ASP . 16424 1 87 106 ASN . 16424 1 88 107 LYS . 16424 1 89 108 PRO . 16424 1 90 109 ALA . 16424 1 91 110 LEU . 16424 1 92 111 SER . 16424 1 93 112 GLY . 16424 1 94 113 ASN . 16424 1 95 114 LEU . 16424 1 96 115 GLU . 16424 1 97 116 HIS . 16424 1 98 117 HIS . 16424 1 99 118 HIS . 16424 1 100 119 HIS . 16424 1 101 120 HIS . 16424 1 102 121 HIS . 16424 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 . SER 1 1 16424 1 . SER 2 2 16424 1 . THR 3 3 16424 1 . LEU 4 4 16424 1 . GLU 5 5 16424 1 . ARG 6 6 16424 1 . VAL 7 7 16424 1 . VAL 8 8 16424 1 . TYR 9 9 16424 1 . ARG 10 10 16424 1 . PRO 11 11 16424 1 . ASP 12 12 16424 1 . ILE 13 13 16424 1 . ASN 14 14 16424 1 . GLN 15 15 16424 1 . GLY 16 16 16424 1 . ASN 17 17 16424 1 . TYR 18 18 16424 1 . LEU 19 19 16424 1 . THR 20 20 16424 1 . ALA 21 21 16424 1 . ASN 22 22 16424 1 . ASP 23 23 16424 1 . VAL 24 24 16424 1 . SER 25 25 16424 1 . LYS 26 26 16424 1 . ILE 27 27 16424 1 . ARG 28 28 16424 1 . VAL 29 29 16424 1 . GLY 30 30 16424 1 . MET 31 31 16424 1 . THR 32 32 16424 1 . GLN 33 33 16424 1 . GLN 34 34 16424 1 . GLN 35 35 16424 1 . VAL 36 36 16424 1 . ALA 37 37 16424 1 . TYR 38 38 16424 1 . ALA 39 39 16424 1 . LEU 40 40 16424 1 . GLY 41 41 16424 1 . THR 42 42 16424 1 . PRO 43 43 16424 1 . LEU 44 44 16424 1 . MET 45 45 16424 1 . SER 46 46 16424 1 . ASP 47 47 16424 1 . PRO 48 48 16424 1 . PHE 49 49 16424 1 . GLY 50 50 16424 1 . THR 51 51 16424 1 . ASN 52 52 16424 1 . THR 53 53 16424 1 . TRP 54 54 16424 1 . PHE 55 55 16424 1 . TYR 56 56 16424 1 . VAL 57 57 16424 1 . PHE 58 58 16424 1 . ARG 59 59 16424 1 . GLN 60 60 16424 1 . GLN 61 61 16424 1 . PRO 62 62 16424 1 . GLY 63 63 16424 1 . HIS 64 64 16424 1 . GLU 65 65 16424 1 . GLY 66 66 16424 1 . VAL 67 67 16424 1 . THR 68 68 16424 1 . GLN 69 69 16424 1 . GLN 70 70 16424 1 . THR 71 71 16424 1 . LEU 72 72 16424 1 . THR 73 73 16424 1 . LEU 74 74 16424 1 . THR 75 75 16424 1 . PHE 76 76 16424 1 . ASN 77 77 16424 1 . SER 78 78 16424 1 . SER 79 79 16424 1 . GLY 80 80 16424 1 . VAL 81 81 16424 1 . LEU 82 82 16424 1 . THR 83 83 16424 1 . ASN 84 84 16424 1 . ILE 85 85 16424 1 . ASP 86 86 16424 1 . ASN 87 87 16424 1 . LYS 88 88 16424 1 . PRO 89 89 16424 1 . ALA 90 90 16424 1 . LEU 91 91 16424 1 . SER 92 92 16424 1 . GLY 93 93 16424 1 . ASN 94 94 16424 1 . LEU 95 95 16424 1 . GLU 96 96 16424 1 . HIS 97 97 16424 1 . HIS 98 98 16424 1 . HIS 99 99 16424 1 . HIS 100 100 16424 1 . HIS 101 101 16424 1 . HIS 102 102 16424 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 16424 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . SmpA . . . . 16424 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 16424 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET24b . . . . . . 16424 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16424 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BamE '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 2.0 . . mM . . . . 16424 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16424 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16424 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16424 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16424 1 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 16424 _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 . pH 16424 1 pressure 1 . atm 16424 1 temperature 303 . K 16424 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16424 _Software.ID 1 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16424 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16424 1 refinement 16424 1 'structure solution' 16424 1 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 16424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16424 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16424 _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 Varian INOVA . 800 . . . 16424 1 2 spectrometer_2 Varian INOVA . 900 . . . 16424 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 16424 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D Best HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 2 '3D Best HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 3 '3D Best CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 4 '3D Best HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 5 '3D Best HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 6 '3D Best HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 7 '2D Best 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16424 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16424 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16424 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16424 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16424 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 16424 _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 other . . . . . . . . 16424 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 16424 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 other . . . . . . . . 16424 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 16424 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.166 _Assigned_chem_shift_list.Chem_shift_15N_err 0.116 _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 'Resolution of experiment' _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 7 '2D Best 1H-15N HSQC' . . . 16424 1 11 '3D 1H-13C NOESY' . . . 16424 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 3 3 THR H H 1 8.108 0.006 . 1 . . . . 22 T H . 16424 1 2 . 1 1 3 3 THR C C 13 174.539 0.166 . 1 . . . . 22 T C . 16424 1 3 . 1 1 3 3 THR CA C 13 62.302 0.166 . 1 . . . . 22 T CA . 16424 1 4 . 1 1 3 3 THR CB C 13 69.379 0.166 . 1 . . . . 22 T CB . 16424 1 5 . 1 1 3 3 THR N N 15 120.915 0.116 . 1 . . . . 22 T N . 16424 1 6 . 1 1 4 4 LEU H H 1 8.184 0.006 . 1 . . . . 23 L H . 16424 1 7 . 1 1 4 4 LEU C C 13 177.311 0.166 . 1 . . . . 23 L C . 16424 1 8 . 1 1 4 4 LEU CA C 13 55.422 0.166 . 1 . . . . 23 L CA . 16424 1 9 . 1 1 4 4 LEU CB C 13 42.183 0.166 . 1 . . . . 23 L CB . 16424 1 10 . 1 1 4 4 LEU N N 15 124.096 0.116 . 1 . . . . 23 L N . 16424 1 11 . 1 1 5 5 GLU H H 1 8.271 0.006 . 1 . . . . 24 E H . 16424 1 12 . 1 1 5 5 GLU CA C 13 56.790 0.166 . 1 . . . . 24 E CA . 16424 1 13 . 1 1 5 5 GLU CB C 13 30.258 0.166 . 1 . . . . 24 E CB . 16424 1 14 . 1 1 5 5 GLU N N 15 119.325 0.116 . 1 . . . . 24 E N . 16424 1 15 . 1 1 9 9 TYR HA H 1 4.574 0.006 . 1 . . . . 28 Y HA . 16424 1 16 . 1 1 9 9 TYR HB2 H 1 3.009 0.006 . 2 . . . . 28 Y HB2 . 16424 1 17 . 1 1 9 9 TYR HB3 H 1 2.864 0.006 . 2 . . . . 28 Y HB3 . 16424 1 18 . 1 1 9 9 TYR C C 13 174.721 0.166 . 1 . . . . 28 Y C . 16424 1 19 . 1 1 9 9 TYR CA C 13 58.177 0.166 . 1 . . . . 28 Y CA . 16424 1 20 . 1 1 9 9 TYR CB C 13 38.837 0.166 . 1 . . . . 28 Y CB . 16424 1 21 . 1 1 10 10 ARG H H 1 8.129 0.006 . 1 . . . . 29 R H . 16424 1 22 . 1 1 10 10 ARG HA H 1 4.502 0.006 . 1 . . . . 29 R HA . 16424 1 23 . 1 1 10 10 ARG HB2 H 1 1.735 0.006 . 2 . . . . 29 R HB2 . 16424 1 24 . 1 1 10 10 ARG HB3 H 1 1.587 0.006 . 2 . . . . 29 R HB3 . 16424 1 25 . 1 1 10 10 ARG HD2 H 1 3.116 0.006 . 2 . . . . 29 R HD2 . 16424 1 26 . 1 1 10 10 ARG HD3 H 1 3.117 0.006 . 2 . . . . 29 R HD3 . 16424 1 27 . 1 1 10 10 ARG HG2 H 1 1.535 0.006 . 2 . . . . 29 R HG2 . 16424 1 28 . 1 1 10 10 ARG HG3 H 1 1.479 0.006 . 2 . . . . 29 R HG3 . 16424 1 29 . 1 1 10 10 ARG C C 13 173.252 0.166 . 1 . . . . 29 R C . 16424 1 30 . 1 1 10 10 ARG CA C 13 53.023 0.166 . 1 . . . . 29 R CA . 16424 1 31 . 1 1 10 10 ARG CB C 13 30.901 0.166 . 1 . . . . 29 R CB . 16424 1 32 . 1 1 10 10 ARG CD C 13 43.281 0.166 . 1 . . . . 29 R CD . 16424 1 33 . 1 1 10 10 ARG CG C 13 26.613 0.166 . 1 . . . . 29 R CG . 16424 1 34 . 1 1 10 10 ARG N N 15 126.486 0.116 . 1 . . . . 29 R N . 16424 1 35 . 1 1 11 11 PRO HA H 1 4.248 0.006 . 1 . . . . 30 P HA . 16424 1 36 . 1 1 11 11 PRO HB2 H 1 2.207 0.006 . 2 . . . . 30 P HB2 . 16424 1 37 . 1 1 11 11 PRO HB3 H 1 1.890 0.006 . 2 . . . . 30 P HB3 . 16424 1 38 . 1 1 11 11 PRO HD2 H 1 3.546 0.006 . 2 . . . . 30 P HD2 . 16424 1 39 . 1 1 11 11 PRO HD3 H 1 3.319 0.006 . 2 . . . . 30 P HD3 . 16424 1 40 . 1 1 11 11 PRO HG2 H 1 1.917 0.006 . 2 . . . . 30 P HG2 . 16424 1 41 . 1 1 11 11 PRO HG3 H 1 1.917 0.006 . 2 . . . . 30 P HG3 . 16424 1 42 . 1 1 11 11 PRO C C 13 176.269 0.166 . 1 . . . . 30 P C . 16424 1 43 . 1 1 11 11 PRO CA C 13 63.201 0.166 . 1 . . . . 30 P CA . 16424 1 44 . 1 1 11 11 PRO CB C 13 32.029 0.166 . 1 . . . . 30 P CB . 16424 1 45 . 1 1 11 11 PRO CD C 13 50.515 0.166 . 1 . . . . 30 P CD . 16424 1 46 . 1 1 11 11 PRO CG C 13 27.036 0.166 . 1 . . . . 30 P CG . 16424 1 47 . 1 1 12 12 ASP H H 1 8.408 0.006 . 1 . . . . 31 D H . 16424 1 48 . 1 1 12 12 ASP HA H 1 4.537 0.006 . 1 . . . . 31 D HA . 16424 1 49 . 1 1 12 12 ASP HB2 H 1 2.681 0.006 . 2 . . . . 31 D HB2 . 16424 1 50 . 1 1 12 12 ASP HB3 H 1 2.619 0.006 . 2 . . . . 31 D HB3 . 16424 1 51 . 1 1 12 12 ASP C C 13 176.434 0.166 . 1 . . . . 31 D C . 16424 1 52 . 1 1 12 12 ASP CA C 13 54.183 0.166 . 1 . . . . 31 D CA . 16424 1 53 . 1 1 12 12 ASP CB C 13 40.934 0.166 . 1 . . . . 31 D CB . 16424 1 54 . 1 1 12 12 ASP N N 15 119.202 0.116 . 1 . . . . 31 D N . 16424 1 55 . 1 1 13 13 ILE H H 1 7.882 0.006 . 1 . . . . 32 I H . 16424 1 56 . 1 1 13 13 ILE HA H 1 4.157 0.006 . 1 . . . . 32 I HA . 16424 1 57 . 1 1 13 13 ILE HB H 1 1.866 0.006 . 1 . . . . 32 I HB . 16424 1 58 . 1 1 13 13 ILE HD11 H 1 0.807 0.006 . 1 . . . . 32 I QD1 . 16424 1 59 . 1 1 13 13 ILE HD12 H 1 0.807 0.006 . 1 . . . . 32 I QD1 . 16424 1 60 . 1 1 13 13 ILE HD13 H 1 0.807 0.006 . 1 . . . . 32 I QD1 . 16424 1 61 . 1 1 13 13 ILE HG12 H 1 1.369 0.006 . 2 . . . . 32 I HG12 . 16424 1 62 . 1 1 13 13 ILE HG13 H 1 1.134 0.006 . 2 . . . . 32 I HG13 . 16424 1 63 . 1 1 13 13 ILE HG21 H 1 0.866 0.006 . 1 . . . . 32 I QG2 . 16424 1 64 . 1 1 13 13 ILE HG22 H 1 0.866 0.006 . 1 . . . . 32 I QG2 . 16424 1 65 . 1 1 13 13 ILE HG23 H 1 0.866 0.006 . 1 . . . . 32 I QG2 . 16424 1 66 . 1 1 13 13 ILE C C 13 175.983 0.166 . 1 . . . . 32 I C . 16424 1 67 . 1 1 13 13 ILE CA C 13 61.524 0.166 . 1 . . . . 32 I CA . 16424 1 68 . 1 1 13 13 ILE CB C 13 38.784 0.166 . 1 . . . . 32 I CB . 16424 1 69 . 1 1 13 13 ILE CD1 C 13 13.323 0.166 . 1 . . . . 32 I CD1 . 16424 1 70 . 1 1 13 13 ILE CG1 C 13 27.103 0.166 . 1 . . . . 32 I CG1 . 16424 1 71 . 1 1 13 13 ILE CG2 C 13 17.490 0.166 . 1 . . . . 32 I CG2 . 16424 1 72 . 1 1 13 13 ILE N N 15 120.125 0.116 . 1 . . . . 32 I N . 16424 1 73 . 1 1 14 14 ASN H H 1 8.447 0.006 . 1 . . . . 33 N H . 16424 1 74 . 1 1 14 14 ASN HA H 1 4.679 0.006 . 1 . . . . 33 N HA . 16424 1 75 . 1 1 14 14 ASN HB2 H 1 2.783 0.006 . 2 . . . . 33 N HB2 . 16424 1 76 . 1 1 14 14 ASN HB3 H 1 2.704 0.006 . 2 . . . . 33 N HB3 . 16424 1 77 . 1 1 14 14 ASN C C 13 175.100 0.166 . 1 . . . . 33 N C . 16424 1 78 . 1 1 14 14 ASN CA C 13 53.587 0.166 . 1 . . . . 33 N CA . 16424 1 79 . 1 1 14 14 ASN CB C 13 38.834 0.166 . 1 . . . . 33 N CB . 16424 1 80 . 1 1 14 14 ASN N N 15 121.419 0.116 . 1 . . . . 33 N N . 16424 1 81 . 1 1 15 15 GLN H H 1 8.228 0.006 . 1 . . . . 34 Q H . 16424 1 82 . 1 1 15 15 GLN HA H 1 4.313 0.006 . 1 . . . . 34 Q HA . 16424 1 83 . 1 1 15 15 GLN HB2 H 1 2.142 0.006 . 2 . . . . 34 Q HB2 . 16424 1 84 . 1 1 15 15 GLN HB3 H 1 1.982 0.006 . 2 . . . . 34 Q HB3 . 16424 1 85 . 1 1 15 15 GLN HG2 H 1 2.339 0.006 . 2 . . . . 34 Q HG2 . 16424 1 86 . 1 1 15 15 GLN HG3 H 1 2.337 0.006 . 2 . . . . 34 Q HG3 . 16424 1 87 . 1 1 15 15 GLN C C 13 176.231 0.166 . 1 . . . . 34 Q C . 16424 1 88 . 1 1 15 15 GLN CA C 13 56.204 0.166 . 1 . . . . 34 Q CA . 16424 1 89 . 1 1 15 15 GLN CB C 13 29.484 0.166 . 1 . . . . 34 Q CB . 16424 1 90 . 1 1 15 15 GLN CG C 13 33.832 0.166 . 1 . . . . 34 Q CG . 16424 1 91 . 1 1 15 15 GLN N N 15 120.107 0.116 . 1 . . . . 34 Q N . 16424 1 92 . 1 1 16 16 GLY H H 1 8.324 0.006 . 1 . . . . 35 G H . 16424 1 93 . 1 1 16 16 GLY HA2 H 1 4.084 0.006 . 2 . . . . 35 G HA2 . 16424 1 94 . 1 1 16 16 GLY HA3 H 1 3.804 0.006 . 2 . . . . 35 G HA3 . 16424 1 95 . 1 1 16 16 GLY C C 13 173.482 0.166 . 1 . . . . 35 G C . 16424 1 96 . 1 1 16 16 GLY CA C 13 45.428 0.166 . 1 . . . . 35 G CA . 16424 1 97 . 1 1 16 16 GLY N N 15 108.821 0.116 . 1 . . . . 35 G N . 16424 1 98 . 1 1 17 17 ASN H H 1 8.177 0.006 . 1 . . . . 36 N H . 16424 1 99 . 1 1 17 17 ASN C C 13 174.480 0.166 . 1 . . . . 36 N C . 16424 1 100 . 1 1 17 17 ASN CA C 13 53.098 0.166 . 1 . . . . 36 N CA . 16424 1 101 . 1 1 17 17 ASN CB C 13 38.904 0.166 . 1 . . . . 36 N CB . 16424 1 102 . 1 1 17 17 ASN N N 15 118.509 0.116 . 1 . . . . 36 N N . 16424 1 103 . 1 1 18 18 TYR H H 1 7.910 0.006 . 1 . . . . 37 Y H . 16424 1 104 . 1 1 18 18 TYR HA H 1 4.837 0.006 . 1 . . . . 37 Y HA . 16424 1 105 . 1 1 18 18 TYR HB2 H 1 3.058 0.006 . 2 . . . . 37 Y HB2 . 16424 1 106 . 1 1 18 18 TYR HB3 H 1 2.900 0.006 . 2 . . . . 37 Y HB3 . 16424 1 107 . 1 1 18 18 TYR C C 13 175.402 0.166 . 1 . . . . 37 Y C . 16424 1 108 . 1 1 18 18 TYR CA C 13 57.000 0.166 . 1 . . . . 37 Y CA . 16424 1 109 . 1 1 18 18 TYR CB C 13 39.610 0.166 . 1 . . . . 37 Y CB . 16424 1 110 . 1 1 18 18 TYR N N 15 119.256 0.116 . 1 . . . . 37 Y N . 16424 1 111 . 1 1 19 19 LEU H H 1 8.600 0.006 . 1 . . . . 38 L H . 16424 1 112 . 1 1 19 19 LEU HA H 1 4.702 0.006 . 1 . . . . 38 L HA . 16424 1 113 . 1 1 19 19 LEU HB2 H 1 1.702 0.006 . 2 . . . . 38 L HB2 . 16424 1 114 . 1 1 19 19 LEU HB3 H 1 1.490 0.006 . 2 . . . . 38 L HB3 . 16424 1 115 . 1 1 19 19 LEU HD11 H 1 0.785 0.006 . 2 . . . . 38 L QD1 . 16424 1 116 . 1 1 19 19 LEU HD12 H 1 0.785 0.006 . 2 . . . . 38 L QD1 . 16424 1 117 . 1 1 19 19 LEU HD13 H 1 0.785 0.006 . 2 . . . . 38 L QD1 . 16424 1 118 . 1 1 19 19 LEU HD21 H 1 0.785 0.006 . 2 . . . . 38 L QD2 . 16424 1 119 . 1 1 19 19 LEU HD22 H 1 0.785 0.006 . 2 . . . . 38 L QD2 . 16424 1 120 . 1 1 19 19 LEU HD23 H 1 0.785 0.006 . 2 . . . . 38 L QD2 . 16424 1 121 . 1 1 19 19 LEU HG H 1 0.614 0.006 . 1 . . . . 38 L HG . 16424 1 122 . 1 1 19 19 LEU C C 13 177.042 0.166 . 1 . . . . 38 L C . 16424 1 123 . 1 1 19 19 LEU CA C 13 54.415 0.166 . 1 . . . . 38 L CA . 16424 1 124 . 1 1 19 19 LEU CB C 13 44.277 0.166 . 1 . . . . 38 L CB . 16424 1 125 . 1 1 19 19 LEU CD1 C 13 23.348 0.166 . 2 . . . . 38 L CD1 . 16424 1 126 . 1 1 19 19 LEU CD2 C 13 23.361 0.166 . 2 . . . . 38 L CD2 . 16424 1 127 . 1 1 19 19 LEU CG C 13 26.608 0.166 . 1 . . . . 38 L CG . 16424 1 128 . 1 1 19 19 LEU N N 15 122.229 0.116 . 1 . . . . 38 L N . 16424 1 129 . 1 1 20 20 THR H H 1 9.202 0.006 . 1 . . . . 39 T H . 16424 1 130 . 1 1 20 20 THR HA H 1 5.149 0.006 . 1 . . . . 39 T HA . 16424 1 131 . 1 1 20 20 THR HB H 1 4.597 0.006 . 1 . . . . 39 T HB . 16424 1 132 . 1 1 20 20 THR HG21 H 1 1.325 0.006 . 1 . . . . 39 T QG2 . 16424 1 133 . 1 1 20 20 THR HG22 H 1 1.325 0.006 . 1 . . . . 39 T QG2 . 16424 1 134 . 1 1 20 20 THR HG23 H 1 1.325 0.006 . 1 . . . . 39 T QG2 . 16424 1 135 . 1 1 20 20 THR C C 13 176.296 0.166 . 1 . . . . 39 T C . 16424 1 136 . 1 1 20 20 THR CA C 13 60.163 0.166 . 1 . . . . 39 T CA . 16424 1 137 . 1 1 20 20 THR CB C 13 72.448 0.166 . 1 . . . . 39 T CB . 16424 1 138 . 1 1 20 20 THR CG2 C 13 21.754 0.166 . 1 . . . . 39 T CG2 . 16424 1 139 . 1 1 20 20 THR N N 15 111.947 0.116 . 1 . . . . 39 T N . 16424 1 140 . 1 1 21 21 ALA H H 1 8.661 0.006 . 1 . . . . 40 A H . 16424 1 141 . 1 1 21 21 ALA HA H 1 3.915 0.006 . 1 . . . . 40 A HA . 16424 1 142 . 1 1 21 21 ALA HB1 H 1 1.504 0.006 . 1 . . . . 40 A QB . 16424 1 143 . 1 1 21 21 ALA HB2 H 1 1.504 0.006 . 1 . . . . 40 A QB . 16424 1 144 . 1 1 21 21 ALA HB3 H 1 1.504 0.006 . 1 . . . . 40 A QB . 16424 1 145 . 1 1 21 21 ALA C C 13 179.722 0.166 . 1 . . . . 40 A C . 16424 1 146 . 1 1 21 21 ALA CA C 13 55.253 0.166 . 1 . . . . 40 A CA . 16424 1 147 . 1 1 21 21 ALA CB C 13 18.576 0.166 . 1 . . . . 40 A CB . 16424 1 148 . 1 1 21 21 ALA N N 15 123.305 0.116 . 1 . . . . 40 A N . 16424 1 149 . 1 1 22 22 ASN HA H 1 4.430 0.006 . 1 . . . . 41 N HA . 16424 1 150 . 1 1 22 22 ASN HB2 H 1 2.701 0.006 . 2 . . . . 41 N HB2 . 16424 1 151 . 1 1 22 22 ASN HB3 H 1 2.701 0.006 . 2 . . . . 41 N HB3 . 16424 1 152 . 1 1 22 22 ASN HD21 H 1 7.690 0.006 . 2 . . . . 41 N HD21 . 16424 1 153 . 1 1 22 22 ASN HD22 H 1 6.983 0.006 . 2 . . . . 41 N HD22 . 16424 1 154 . 1 1 22 22 ASN C C 13 177.397 0.166 . 1 . . . . 41 N C . 16424 1 155 . 1 1 22 22 ASN CA C 13 55.758 0.166 . 1 . . . . 41 N CA . 16424 1 156 . 1 1 22 22 ASN CB C 13 38.460 0.166 . 1 . . . . 41 N CB . 16424 1 157 . 1 1 22 22 ASN ND2 N 15 112.809 0.116 . 1 . . . . 41 N ND2 . 16424 1 158 . 1 1 23 23 ASP H H 1 7.749 0.006 . 1 . . . . 42 D H . 16424 1 159 . 1 1 23 23 ASP HA H 1 4.336 0.006 . 1 . . . . 42 D HA . 16424 1 160 . 1 1 23 23 ASP HB2 H 1 2.884 0.006 . 2 . . . . 42 D HB2 . 16424 1 161 . 1 1 23 23 ASP HB3 H 1 2.571 0.006 . 2 . . . . 42 D HB3 . 16424 1 162 . 1 1 23 23 ASP C C 13 177.531 0.166 . 1 . . . . 42 D C . 16424 1 163 . 1 1 23 23 ASP CA C 13 57.534 0.166 . 1 . . . . 42 D CA . 16424 1 164 . 1 1 23 23 ASP CB C 13 41.952 0.166 . 1 . . . . 42 D CB . 16424 1 165 . 1 1 23 23 ASP N N 15 119.118 0.116 . 1 . . . . 42 D N . 16424 1 166 . 1 1 24 24 VAL H H 1 7.275 0.006 . 1 . . . . 43 V H . 16424 1 167 . 1 1 24 24 VAL HA H 1 3.431 0.006 . 1 . . . . 43 V HA . 16424 1 168 . 1 1 24 24 VAL HB H 1 1.906 0.006 . 1 . . . . 43 V HB . 16424 1 169 . 1 1 24 24 VAL HG11 H 1 0.710 0.006 . 2 . . . . 43 V QG1 . 16424 1 170 . 1 1 24 24 VAL HG12 H 1 0.710 0.006 . 2 . . . . 43 V QG1 . 16424 1 171 . 1 1 24 24 VAL HG13 H 1 0.710 0.006 . 2 . . . . 43 V QG1 . 16424 1 172 . 1 1 24 24 VAL HG21 H 1 0.538 0.006 . 2 . . . . 43 V QG2 . 16424 1 173 . 1 1 24 24 VAL HG22 H 1 0.538 0.006 . 2 . . . . 43 V QG2 . 16424 1 174 . 1 1 24 24 VAL HG23 H 1 0.538 0.006 . 2 . . . . 43 V QG2 . 16424 1 175 . 1 1 24 24 VAL C C 13 177.059 0.166 . 1 . . . . 43 V C . 16424 1 176 . 1 1 24 24 VAL CA C 13 65.303 0.166 . 1 . . . . 43 V CA . 16424 1 177 . 1 1 24 24 VAL CB C 13 31.327 0.166 . 1 . . . . 43 V CB . 16424 1 178 . 1 1 24 24 VAL CG1 C 13 21.503 0.166 . 2 . . . . 43 V CG1 . 16424 1 179 . 1 1 24 24 VAL CG2 C 13 22.148 0.166 . 2 . . . . 43 V CG2 . 16424 1 180 . 1 1 24 24 VAL N N 15 115.363 0.116 . 1 . . . . 43 V N . 16424 1 181 . 1 1 25 25 SER H H 1 7.604 0.006 . 1 . . . . 44 S H . 16424 1 182 . 1 1 25 25 SER HA H 1 4.276 0.006 . 1 . . . . 44 S HA . 16424 1 183 . 1 1 25 25 SER HB2 H 1 3.993 0.006 . 2 . . . . 44 S HB2 . 16424 1 184 . 1 1 25 25 SER HB3 H 1 3.991 0.006 . 2 . . . . 44 S HB3 . 16424 1 185 . 1 1 25 25 SER C C 13 174.619 0.166 . 1 . . . . 44 S C . 16424 1 186 . 1 1 25 25 SER CA C 13 60.341 0.166 . 1 . . . . 44 S CA . 16424 1 187 . 1 1 25 25 SER CB C 13 62.964 0.166 . 1 . . . . 44 S CB . 16424 1 188 . 1 1 25 25 SER N N 15 114.083 0.116 . 1 . . . . 44 S N . 16424 1 189 . 1 1 26 26 LYS H H 1 7.364 0.006 . 1 . . . . 45 K H . 16424 1 190 . 1 1 26 26 LYS HA H 1 4.139 0.006 . 1 . . . . 45 K HA . 16424 1 191 . 1 1 26 26 LYS HB2 H 1 1.954 0.006 . 2 . . . . 45 K HB2 . 16424 1 192 . 1 1 26 26 LYS HB3 H 1 1.819 0.006 . 2 . . . . 45 K HB3 . 16424 1 193 . 1 1 26 26 LYS HD2 H 1 1.711 0.006 . 2 . . . . 45 K HD2 . 16424 1 194 . 1 1 26 26 LYS HD3 H 1 1.711 0.006 . 2 . . . . 45 K HD3 . 16424 1 195 . 1 1 26 26 LYS HE2 H 1 2.991 0.006 . 2 . . . . 45 K HE2 . 16424 1 196 . 1 1 26 26 LYS HE3 H 1 2.991 0.006 . 2 . . . . 45 K HE3 . 16424 1 197 . 1 1 26 26 LYS HG2 H 1 1.600 0.006 . 2 . . . . 45 K HG2 . 16424 1 198 . 1 1 26 26 LYS HG3 H 1 1.422 0.006 . 2 . . . . 45 K HG3 . 16424 1 199 . 1 1 26 26 LYS C C 13 176.608 0.166 . 1 . . . . 45 K C . 16424 1 200 . 1 1 26 26 LYS CA C 13 57.378 0.166 . 1 . . . . 45 K CA . 16424 1 201 . 1 1 26 26 LYS CB C 13 33.552 0.166 . 1 . . . . 45 K CB . 16424 1 202 . 1 1 26 26 LYS CD C 13 29.489 0.166 . 1 . . . . 45 K CD . 16424 1 203 . 1 1 26 26 LYS CE C 13 42.343 0.166 . 1 . . . . 45 K CE . 16424 1 204 . 1 1 26 26 LYS CG C 13 25.730 0.166 . 1 . . . . 45 K CG . 16424 1 205 . 1 1 26 26 LYS N N 15 118.868 0.116 . 1 . . . . 45 K N . 16424 1 206 . 1 1 27 27 ILE H H 1 7.221 0.006 . 1 . . . . 46 I H . 16424 1 207 . 1 1 27 27 ILE HA H 1 4.604 0.006 . 1 . . . . 46 I HA . 16424 1 208 . 1 1 27 27 ILE HB H 1 1.800 0.006 . 1 . . . . 46 I HB . 16424 1 209 . 1 1 27 27 ILE HD11 H 1 0.730 0.006 . 1 . . . . 46 I QD1 . 16424 1 210 . 1 1 27 27 ILE HD12 H 1 0.730 0.006 . 1 . . . . 46 I QD1 . 16424 1 211 . 1 1 27 27 ILE HD13 H 1 0.730 0.006 . 1 . . . . 46 I QD1 . 16424 1 212 . 1 1 27 27 ILE HG12 H 1 1.404 0.006 . 2 . . . . 46 I HG12 . 16424 1 213 . 1 1 27 27 ILE HG13 H 1 1.352 0.006 . 2 . . . . 46 I HG13 . 16424 1 214 . 1 1 27 27 ILE HG21 H 1 0.795 0.006 . 1 . . . . 46 I QG2 . 16424 1 215 . 1 1 27 27 ILE HG22 H 1 0.795 0.006 . 1 . . . . 46 I QG2 . 16424 1 216 . 1 1 27 27 ILE HG23 H 1 0.795 0.006 . 1 . . . . 46 I QG2 . 16424 1 217 . 1 1 27 27 ILE C C 13 174.112 0.166 . 1 . . . . 46 I C . 16424 1 218 . 1 1 27 27 ILE CA C 13 59.075 0.166 . 1 . . . . 46 I CA . 16424 1 219 . 1 1 27 27 ILE CB C 13 39.714 0.166 . 1 . . . . 46 I CB . 16424 1 220 . 1 1 27 27 ILE CD1 C 13 14.226 0.166 . 1 . . . . 46 I CD1 . 16424 1 221 . 1 1 27 27 ILE CG1 C 13 25.864 0.166 . 1 . . . . 46 I CG1 . 16424 1 222 . 1 1 27 27 ILE CG2 C 13 19.034 0.166 . 1 . . . . 46 I CG2 . 16424 1 223 . 1 1 27 27 ILE N N 15 111.290 0.116 . 1 . . . . 46 I N . 16424 1 224 . 1 1 28 28 ARG H H 1 7.532 0.006 . 1 . . . . 47 R H . 16424 1 225 . 1 1 28 28 ARG HA H 1 4.569 0.006 . 1 . . . . 47 R HA . 16424 1 226 . 1 1 28 28 ARG HB2 H 1 1.844 0.006 . 2 . . . . 47 R HB2 . 16424 1 227 . 1 1 28 28 ARG HB3 H 1 1.609 0.006 . 2 . . . . 47 R HB3 . 16424 1 228 . 1 1 28 28 ARG HD2 H 1 3.150 0.006 . 2 . . . . 47 R HD2 . 16424 1 229 . 1 1 28 28 ARG HD3 H 1 3.150 0.006 . 2 . . . . 47 R HD3 . 16424 1 230 . 1 1 28 28 ARG HG2 H 1 1.541 0.006 . 2 . . . . 47 R HG2 . 16424 1 231 . 1 1 28 28 ARG HG3 H 1 1.500 0.006 . 2 . . . . 47 R HG3 . 16424 1 232 . 1 1 28 28 ARG C C 13 174.921 0.166 . 1 . . . . 47 R C . 16424 1 233 . 1 1 28 28 ARG CA C 13 53.910 0.166 . 1 . . . . 47 R CA . 16424 1 234 . 1 1 28 28 ARG CB C 13 33.616 0.166 . 1 . . . . 47 R CB . 16424 1 235 . 1 1 28 28 ARG CD C 13 43.302 0.166 . 1 . . . . 47 R CD . 16424 1 236 . 1 1 28 28 ARG CG C 13 26.094 0.166 . 1 . . . . 47 R CG . 16424 1 237 . 1 1 28 28 ARG N N 15 118.925 0.116 . 1 . . . . 47 R N . 16424 1 238 . 1 1 29 29 VAL H H 1 8.493 0.006 . 1 . . . . 48 V H . 16424 1 239 . 1 1 29 29 VAL HA H 1 3.338 0.006 . 1 . . . . 48 V HA . 16424 1 240 . 1 1 29 29 VAL HB H 1 1.968 0.006 . 1 . . . . 48 V HB . 16424 1 241 . 1 1 29 29 VAL HG11 H 1 0.895 0.006 . 2 . . . . 48 V QG1 . 16424 1 242 . 1 1 29 29 VAL HG12 H 1 0.895 0.006 . 2 . . . . 48 V QG1 . 16424 1 243 . 1 1 29 29 VAL HG13 H 1 0.895 0.006 . 2 . . . . 48 V QG1 . 16424 1 244 . 1 1 29 29 VAL HG21 H 1 0.853 0.006 . 2 . . . . 48 V QG2 . 16424 1 245 . 1 1 29 29 VAL HG22 H 1 0.853 0.006 . 2 . . . . 48 V QG2 . 16424 1 246 . 1 1 29 29 VAL HG23 H 1 0.853 0.006 . 2 . . . . 48 V QG2 . 16424 1 247 . 1 1 29 29 VAL C C 13 176.516 0.166 . 1 . . . . 48 V C . 16424 1 248 . 1 1 29 29 VAL CA C 13 64.897 0.166 . 1 . . . . 48 V CA . 16424 1 249 . 1 1 29 29 VAL CB C 13 31.648 0.166 . 1 . . . . 48 V CB . 16424 1 250 . 1 1 29 29 VAL CG1 C 13 20.966 0.166 . 2 . . . . 48 V CG1 . 16424 1 251 . 1 1 29 29 VAL CG2 C 13 20.976 0.166 . 2 . . . . 48 V CG2 . 16424 1 252 . 1 1 29 29 VAL N N 15 120.009 0.116 . 1 . . . . 48 V N . 16424 1 253 . 1 1 30 30 GLY H H 1 8.781 0.006 . 1 . . . . 49 G H . 16424 1 254 . 1 1 30 30 GLY HA2 H 1 4.562 0.006 . 2 . . . . 49 G HA2 . 16424 1 255 . 1 1 30 30 GLY HA3 H 1 3.408 0.006 . 2 . . . . 49 G HA3 . 16424 1 256 . 1 1 30 30 GLY C C 13 174.896 0.166 . 1 . . . . 49 G C . 16424 1 257 . 1 1 30 30 GLY CA C 13 44.578 0.166 . 1 . . . . 49 G CA . 16424 1 258 . 1 1 30 30 GLY N N 15 113.290 0.116 . 1 . . . . 49 G N . 16424 1 259 . 1 1 31 31 MET H H 1 7.442 0.006 . 1 . . . . 50 M H . 16424 1 260 . 1 1 31 31 MET HA H 1 4.615 0.006 . 1 . . . . 50 M HA . 16424 1 261 . 1 1 31 31 MET HB2 H 1 2.381 0.006 . 2 . . . . 50 M HB2 . 16424 1 262 . 1 1 31 31 MET HB3 H 1 1.891 0.006 . 2 . . . . 50 M HB3 . 16424 1 263 . 1 1 31 31 MET HG2 H 1 2.932 0.006 . 2 . . . . 50 M HG2 . 16424 1 264 . 1 1 31 31 MET HG3 H 1 2.555 0.006 . 2 . . . . 50 M HG3 . 16424 1 265 . 1 1 31 31 MET C C 13 175.670 0.166 . 1 . . . . 50 M C . 16424 1 266 . 1 1 31 31 MET CA C 13 56.904 0.166 . 1 . . . . 50 M CA . 16424 1 267 . 1 1 31 31 MET CB C 13 35.886 0.166 . 1 . . . . 50 M CB . 16424 1 268 . 1 1 31 31 MET CG C 13 34.023 0.166 . 1 . . . . 50 M CG . 16424 1 269 . 1 1 31 31 MET N N 15 119.329 0.116 . 1 . . . . 50 M N . 16424 1 270 . 1 1 32 32 THR H H 1 8.816 0.006 . 1 . . . . 51 T H . 16424 1 271 . 1 1 32 32 THR HA H 1 5.157 0.006 . 1 . . . . 51 T HA . 16424 1 272 . 1 1 32 32 THR HB H 1 4.855 0.006 . 1 . . . . 51 T HB . 16424 1 273 . 1 1 32 32 THR HG21 H 1 1.322 0.006 . 1 . . . . 51 T QG2 . 16424 1 274 . 1 1 32 32 THR HG22 H 1 1.322 0.006 . 1 . . . . 51 T QG2 . 16424 1 275 . 1 1 32 32 THR HG23 H 1 1.322 0.006 . 1 . . . . 51 T QG2 . 16424 1 276 . 1 1 32 32 THR C C 13 176.940 0.166 . 1 . . . . 51 T C . 16424 1 277 . 1 1 32 32 THR CA C 13 60.691 0.166 . 1 . . . . 51 T CA . 16424 1 278 . 1 1 32 32 THR CB C 13 71.587 0.166 . 1 . . . . 51 T CB . 16424 1 279 . 1 1 32 32 THR CG2 C 13 22.029 0.166 . 1 . . . . 51 T CG2 . 16424 1 280 . 1 1 32 32 THR N N 15 110.640 0.116 . 1 . . . . 51 T N . 16424 1 281 . 1 1 33 33 GLN H H 1 8.384 0.006 . 1 . . . . 52 Q H . 16424 1 282 . 1 1 33 33 GLN HA H 1 3.240 0.006 . 1 . . . . 52 Q HA . 16424 1 283 . 1 1 33 33 GLN HB2 H 1 1.842 0.006 . 2 . . . . 52 Q HB2 . 16424 1 284 . 1 1 33 33 GLN HB3 H 1 1.735 0.006 . 2 . . . . 52 Q HB3 . 16424 1 285 . 1 1 33 33 GLN HG2 H 1 1.150 0.006 . 2 . . . . 52 Q HG2 . 16424 1 286 . 1 1 33 33 GLN HG3 H 1 1.149 0.006 . 2 . . . . 52 Q HG3 . 16424 1 287 . 1 1 33 33 GLN C C 13 177.871 0.166 . 1 . . . . 52 Q C . 16424 1 288 . 1 1 33 33 GLN CA C 13 60.082 0.166 . 1 . . . . 52 Q CA . 16424 1 289 . 1 1 33 33 GLN CB C 13 28.938 0.166 . 1 . . . . 52 Q CB . 16424 1 290 . 1 1 33 33 GLN CG C 13 33.848 0.166 . 1 . . . . 52 Q CG . 16424 1 291 . 1 1 33 33 GLN N N 15 119.027 0.116 . 1 . . . . 52 Q N . 16424 1 292 . 1 1 34 34 GLN H H 1 8.568 0.006 . 1 . . . . 53 Q H . 16424 1 293 . 1 1 34 34 GLN HA H 1 4.089 0.006 . 1 . . . . 53 Q HA . 16424 1 294 . 1 1 34 34 GLN HB2 H 1 2.118 0.006 . 2 . . . . 53 Q HB2 . 16424 1 295 . 1 1 34 34 GLN HB3 H 1 1.988 0.006 . 2 . . . . 53 Q HB3 . 16424 1 296 . 1 1 34 34 GLN HE21 H 1 7.135 0.006 . 2 . . . . 53 Q HE21 . 16424 1 297 . 1 1 34 34 GLN HE22 H 1 6.834 0.006 . 2 . . . . 53 Q HE22 . 16424 1 298 . 1 1 34 34 GLN HG2 H 1 2.396 0.006 . 2 . . . . 53 Q HG2 . 16424 1 299 . 1 1 34 34 GLN HG3 H 1 2.294 0.006 . 2 . . . . 53 Q HG3 . 16424 1 300 . 1 1 34 34 GLN C C 13 178.617 0.166 . 1 . . . . 53 Q C . 16424 1 301 . 1 1 34 34 GLN CA C 13 60.348 0.166 . 1 . . . . 53 Q CA . 16424 1 302 . 1 1 34 34 GLN CB C 13 28.222 0.166 . 1 . . . . 53 Q CB . 16424 1 303 . 1 1 34 34 GLN CG C 13 34.409 0.166 . 1 . . . . 53 Q CG . 16424 1 304 . 1 1 34 34 GLN N N 15 117.059 0.116 . 1 . . . . 53 Q N . 16424 1 305 . 1 1 34 34 GLN NE2 N 15 111.995 0.116 . 1 . . . . 53 Q NE2 . 16424 1 306 . 1 1 35 35 GLN H H 1 7.821 0.006 . 1 . . . . 54 Q H . 16424 1 307 . 1 1 35 35 GLN HA H 1 4.133 0.006 . 1 . . . . 54 Q HA . 16424 1 308 . 1 1 35 35 GLN HB2 H 1 2.583 0.006 . 2 . . . . 54 Q HB2 . 16424 1 309 . 1 1 35 35 GLN HB3 H 1 2.106 0.006 . 2 . . . . 54 Q HB3 . 16424 1 310 . 1 1 35 35 GLN HE21 H 1 7.627 0.006 . 2 . . . . 54 Q HE21 . 16424 1 311 . 1 1 35 35 GLN HE22 H 1 6.881 0.006 . 2 . . . . 54 Q HE22 . 16424 1 312 . 1 1 35 35 GLN HG2 H 1 2.536 0.006 . 2 . . . . 54 Q HG2 . 16424 1 313 . 1 1 35 35 GLN HG3 H 1 2.533 0.006 . 2 . . . . 54 Q HG3 . 16424 1 314 . 1 1 35 35 GLN C C 13 179.992 0.166 . 1 . . . . 54 Q C . 16424 1 315 . 1 1 35 35 GLN CA C 13 59.266 0.166 . 1 . . . . 54 Q CA . 16424 1 316 . 1 1 35 35 GLN CB C 13 29.089 0.166 . 1 . . . . 54 Q CB . 16424 1 317 . 1 1 35 35 GLN CG C 13 35.021 0.166 . 1 . . . . 54 Q CG . 16424 1 318 . 1 1 35 35 GLN N N 15 119.082 0.116 . 1 . . . . 54 Q N . 16424 1 319 . 1 1 35 35 GLN NE2 N 15 110.663 0.116 . 1 . . . . 54 Q NE2 . 16424 1 320 . 1 1 36 36 VAL H H 1 8.759 0.006 . 1 . . . . 55 V H . 16424 1 321 . 1 1 36 36 VAL HA H 1 3.628 0.006 . 1 . . . . 55 V HA . 16424 1 322 . 1 1 36 36 VAL HB H 1 2.451 0.006 . 1 . . . . 55 V HB . 16424 1 323 . 1 1 36 36 VAL HG11 H 1 1.306 0.006 . 2 . . . . 55 V QG1 . 16424 1 324 . 1 1 36 36 VAL HG12 H 1 1.306 0.006 . 2 . . . . 55 V QG1 . 16424 1 325 . 1 1 36 36 VAL HG13 H 1 1.306 0.006 . 2 . . . . 55 V QG1 . 16424 1 326 . 1 1 36 36 VAL HG21 H 1 1.191 0.006 . 2 . . . . 55 V QG2 . 16424 1 327 . 1 1 36 36 VAL HG22 H 1 1.191 0.006 . 2 . . . . 55 V QG2 . 16424 1 328 . 1 1 36 36 VAL HG23 H 1 1.191 0.006 . 2 . . . . 55 V QG2 . 16424 1 329 . 1 1 36 36 VAL C C 13 177.222 0.166 . 1 . . . . 55 V C . 16424 1 330 . 1 1 36 36 VAL CA C 13 67.508 0.166 . 1 . . . . 55 V CA . 16424 1 331 . 1 1 36 36 VAL CB C 13 31.519 0.166 . 1 . . . . 55 V CB . 16424 1 332 . 1 1 36 36 VAL CG1 C 13 22.966 0.166 . 2 . . . . 55 V CG1 . 16424 1 333 . 1 1 36 36 VAL CG2 C 13 24.300 0.166 . 2 . . . . 55 V CG2 . 16424 1 334 . 1 1 36 36 VAL N N 15 121.732 0.116 . 1 . . . . 55 V N . 16424 1 335 . 1 1 37 37 ALA H H 1 8.930 0.006 . 1 . . . . 56 A H . 16424 1 336 . 1 1 37 37 ALA HA H 1 4.204 0.006 . 1 . . . . 56 A HA . 16424 1 337 . 1 1 37 37 ALA HB1 H 1 1.702 0.006 . 1 . . . . 56 A QB . 16424 1 338 . 1 1 37 37 ALA HB2 H 1 1.702 0.006 . 1 . . . . 56 A QB . 16424 1 339 . 1 1 37 37 ALA HB3 H 1 1.702 0.006 . 1 . . . . 56 A QB . 16424 1 340 . 1 1 37 37 ALA C C 13 180.914 0.166 . 1 . . . . 56 A C . 16424 1 341 . 1 1 37 37 ALA CA C 13 54.524 0.166 . 1 . . . . 56 A CA . 16424 1 342 . 1 1 37 37 ALA CB C 13 18.294 0.166 . 1 . . . . 56 A CB . 16424 1 343 . 1 1 37 37 ALA N N 15 121.803 0.116 . 1 . . . . 56 A N . 16424 1 344 . 1 1 38 38 TYR H H 1 8.132 0.006 . 1 . . . . 57 Y H . 16424 1 345 . 1 1 38 38 TYR HA H 1 4.332 0.006 . 1 . . . . 57 Y HA . 16424 1 346 . 1 1 38 38 TYR HB2 H 1 3.232 0.006 . 2 . . . . 57 Y HB2 . 16424 1 347 . 1 1 38 38 TYR HB3 H 1 3.150 0.006 . 2 . . . . 57 Y HB3 . 16424 1 348 . 1 1 38 38 TYR C C 13 176.969 0.166 . 1 . . . . 57 Y C . 16424 1 349 . 1 1 38 38 TYR CA C 13 60.630 0.166 . 1 . . . . 57 Y CA . 16424 1 350 . 1 1 38 38 TYR CB C 13 38.046 0.166 . 1 . . . . 57 Y CB . 16424 1 351 . 1 1 38 38 TYR N N 15 118.252 0.116 . 1 . . . . 57 Y N . 16424 1 352 . 1 1 39 39 ALA H H 1 7.612 0.006 . 1 . . . . 58 A H . 16424 1 353 . 1 1 39 39 ALA HA H 1 4.203 0.006 . 1 . . . . 58 A HA . 16424 1 354 . 1 1 39 39 ALA HB1 H 1 1.471 0.006 . 1 . . . . 58 A QB . 16424 1 355 . 1 1 39 39 ALA HB2 H 1 1.471 0.006 . 1 . . . . 58 A QB . 16424 1 356 . 1 1 39 39 ALA HB3 H 1 1.471 0.006 . 1 . . . . 58 A QB . 16424 1 357 . 1 1 39 39 ALA C C 13 178.829 0.166 . 1 . . . . 58 A C . 16424 1 358 . 1 1 39 39 ALA CA C 13 54.671 0.166 . 1 . . . . 58 A CA . 16424 1 359 . 1 1 39 39 ALA CB C 13 19.624 0.166 . 1 . . . . 58 A CB . 16424 1 360 . 1 1 39 39 ALA N N 15 119.933 0.116 . 1 . . . . 58 A N . 16424 1 361 . 1 1 40 40 LEU H H 1 8.610 0.006 . 1 . . . . 59 L H . 16424 1 362 . 1 1 40 40 LEU HA H 1 4.359 0.006 . 1 . . . . 59 L HA . 16424 1 363 . 1 1 40 40 LEU HB2 H 1 1.739 0.006 . 2 . . . . 59 L HB2 . 16424 1 364 . 1 1 40 40 LEU HB3 H 1 1.276 0.006 . 2 . . . . 59 L HB3 . 16424 1 365 . 1 1 40 40 LEU HD11 H 1 0.487 0.006 . 2 . . . . 59 L QD1 . 16424 1 366 . 1 1 40 40 LEU HD12 H 1 0.487 0.006 . 2 . . . . 59 L QD1 . 16424 1 367 . 1 1 40 40 LEU HD13 H 1 0.487 0.006 . 2 . . . . 59 L QD1 . 16424 1 368 . 1 1 40 40 LEU HD21 H 1 0.249 0.006 . 2 . . . . 59 L QD2 . 16424 1 369 . 1 1 40 40 LEU HD22 H 1 0.249 0.006 . 2 . . . . 59 L QD2 . 16424 1 370 . 1 1 40 40 LEU HD23 H 1 0.249 0.006 . 2 . . . . 59 L QD2 . 16424 1 371 . 1 1 40 40 LEU HG H 1 1.512 0.006 . 1 . . . . 59 L HG . 16424 1 372 . 1 1 40 40 LEU C C 13 178.111 0.166 . 1 . . . . 59 L C . 16424 1 373 . 1 1 40 40 LEU CA C 13 54.815 0.166 . 1 . . . . 59 L CA . 16424 1 374 . 1 1 40 40 LEU CB C 13 43.125 0.166 . 1 . . . . 59 L CB . 16424 1 375 . 1 1 40 40 LEU CD1 C 13 22.394 0.166 . 2 . . . . 59 L CD1 . 16424 1 376 . 1 1 40 40 LEU CD2 C 13 25.194 0.166 . 2 . . . . 59 L CD2 . 16424 1 377 . 1 1 40 40 LEU CG C 13 26.333 0.166 . 1 . . . . 59 L CG . 16424 1 378 . 1 1 40 40 LEU N N 15 113.201 0.116 . 1 . . . . 59 L N . 16424 1 379 . 1 1 41 41 GLY H H 1 7.688 0.006 . 1 . . . . 60 G H . 16424 1 380 . 1 1 41 41 GLY HA2 H 1 4.428 0.006 . 2 . . . . 60 G HA2 . 16424 1 381 . 1 1 41 41 GLY HA3 H 1 3.951 0.006 . 2 . . . . 60 G HA3 . 16424 1 382 . 1 1 41 41 GLY C C 13 173.750 0.166 . 1 . . . . 60 G C . 16424 1 383 . 1 1 41 41 GLY CA C 13 44.286 0.166 . 1 . . . . 60 G CA . 16424 1 384 . 1 1 41 41 GLY N N 15 108.002 0.116 . 1 . . . . 60 G N . 16424 1 385 . 1 1 42 42 THR H H 1 8.343 0.006 . 1 . . . . 61 T H . 16424 1 386 . 1 1 42 42 THR HA H 1 3.945 0.006 . 1 . . . . 61 T HA . 16424 1 387 . 1 1 42 42 THR HB H 1 3.810 0.006 . 1 . . . . 61 T HB . 16424 1 388 . 1 1 42 42 THR HG21 H 1 1.080 0.006 . 1 . . . . 61 T QG2 . 16424 1 389 . 1 1 42 42 THR HG22 H 1 1.080 0.006 . 1 . . . . 61 T QG2 . 16424 1 390 . 1 1 42 42 THR HG23 H 1 1.080 0.006 . 1 . . . . 61 T QG2 . 16424 1 391 . 1 1 42 42 THR C C 13 172.798 0.166 . 1 . . . . 61 T C . 16424 1 392 . 1 1 42 42 THR CA C 13 60.563 0.166 . 1 . . . . 61 T CA . 16424 1 393 . 1 1 42 42 THR CB C 13 68.391 0.166 . 1 . . . . 61 T CB . 16424 1 394 . 1 1 42 42 THR CG2 C 13 22.519 0.166 . 1 . . . . 61 T CG2 . 16424 1 395 . 1 1 42 42 THR N N 15 114.111 0.116 . 1 . . . . 61 T N . 16424 1 396 . 1 1 43 43 PRO HA H 1 3.922 0.006 . 1 . . . . 62 P HA . 16424 1 397 . 1 1 43 43 PRO HB2 H 1 1.310 0.006 . 2 . . . . 62 P HB2 . 16424 1 398 . 1 1 43 43 PRO HB3 H 1 1.208 0.006 . 2 . . . . 62 P HB3 . 16424 1 399 . 1 1 43 43 PRO HD2 H 1 2.722 0.006 . 2 . . . . 62 P HD2 . 16424 1 400 . 1 1 43 43 PRO HD3 H 1 2.163 0.006 . 2 . . . . 62 P HD3 . 16424 1 401 . 1 1 43 43 PRO HG2 H 1 0.631 0.006 . 2 . . . . 62 P HG2 . 16424 1 402 . 1 1 43 43 PRO HG3 H 1 0.361 0.006 . 2 . . . . 62 P HG3 . 16424 1 403 . 1 1 43 43 PRO C C 13 175.892 0.166 . 1 . . . . 62 P C . 16424 1 404 . 1 1 43 43 PRO CA C 13 62.117 0.166 . 1 . . . . 62 P CA . 16424 1 405 . 1 1 43 43 PRO CB C 13 31.809 0.166 . 1 . . . . 62 P CB . 16424 1 406 . 1 1 43 43 PRO CD C 13 49.163 0.166 . 1 . . . . 62 P CD . 16424 1 407 . 1 1 43 43 PRO CG C 13 26.425 0.166 . 1 . . . . 62 P CG . 16424 1 408 . 1 1 44 44 LEU H H 1 8.352 0.006 . 1 . . . . 63 L H . 16424 1 409 . 1 1 44 44 LEU HA H 1 4.185 0.006 . 1 . . . . 63 L HA . 16424 1 410 . 1 1 44 44 LEU HB2 H 1 1.533 0.006 . 2 . . . . 63 L HB2 . 16424 1 411 . 1 1 44 44 LEU HB3 H 1 1.533 0.006 . 2 . . . . 63 L HB3 . 16424 1 412 . 1 1 44 44 LEU HD11 H 1 0.867 0.006 . 2 . . . . 63 L QD1 . 16424 1 413 . 1 1 44 44 LEU HD12 H 1 0.867 0.006 . 2 . . . . 63 L QD1 . 16424 1 414 . 1 1 44 44 LEU HD13 H 1 0.867 0.006 . 2 . . . . 63 L QD1 . 16424 1 415 . 1 1 44 44 LEU HD21 H 1 0.797 0.006 . 2 . . . . 63 L QD2 . 16424 1 416 . 1 1 44 44 LEU HD22 H 1 0.797 0.006 . 2 . . . . 63 L QD2 . 16424 1 417 . 1 1 44 44 LEU HD23 H 1 0.797 0.006 . 2 . . . . 63 L QD2 . 16424 1 418 . 1 1 44 44 LEU HG H 1 1.536 0.006 . 1 . . . . 63 L HG . 16424 1 419 . 1 1 44 44 LEU C C 13 177.479 0.166 . 1 . . . . 63 L C . 16424 1 420 . 1 1 44 44 LEU CA C 13 54.739 0.166 . 1 . . . . 63 L CA . 16424 1 421 . 1 1 44 44 LEU CB C 13 39.743 0.166 . 1 . . . . 63 L CB . 16424 1 422 . 1 1 44 44 LEU CD1 C 13 24.792 0.166 . 2 . . . . 63 L CD1 . 16424 1 423 . 1 1 44 44 LEU CD2 C 13 23.881 0.166 . 2 . . . . 63 L CD2 . 16424 1 424 . 1 1 44 44 LEU CG C 13 26.747 0.166 . 1 . . . . 63 L CG . 16424 1 425 . 1 1 44 44 LEU N N 15 122.431 0.116 . 1 . . . . 63 L N . 16424 1 426 . 1 1 45 45 MET HA H 1 4.541 0.006 . 1 . . . . 64 M HA . 16424 1 427 . 1 1 45 45 MET HB2 H 1 2.055 0.006 . 2 . . . . 64 M HB2 . 16424 1 428 . 1 1 45 45 MET HB3 H 1 1.738 0.006 . 2 . . . . 64 M HB3 . 16424 1 429 . 1 1 45 45 MET HG2 H 1 2.131 0.006 . 2 . . . . 64 M HG2 . 16424 1 430 . 1 1 45 45 MET HG3 H 1 1.973 0.006 . 2 . . . . 64 M HG3 . 16424 1 431 . 1 1 45 45 MET CA C 13 54.331 0.166 . 1 . . . . 64 M CA . 16424 1 432 . 1 1 45 45 MET CB C 13 35.863 0.166 . 1 . . . . 64 M CB . 16424 1 433 . 1 1 45 45 MET CG C 13 30.316 0.166 . 1 . . . . 64 M CG . 16424 1 434 . 1 1 46 46 SER HA H 1 4.406 0.006 . 1 . . . . 65 S HA . 16424 1 435 . 1 1 46 46 SER HB2 H 1 3.869 0.006 . 2 . . . . 65 S HB2 . 16424 1 436 . 1 1 46 46 SER HB3 H 1 3.820 0.006 . 2 . . . . 65 S HB3 . 16424 1 437 . 1 1 46 46 SER C C 13 174.316 0.166 . 1 . . . . 65 S C . 16424 1 438 . 1 1 46 46 SER CA C 13 59.352 0.166 . 1 . . . . 65 S CA . 16424 1 439 . 1 1 46 46 SER CB C 13 64.028 0.166 . 1 . . . . 65 S CB . 16424 1 440 . 1 1 47 47 ASP H H 1 8.600 0.006 . 1 . . . . 66 D H . 16424 1 441 . 1 1 47 47 ASP HA H 1 4.755 0.006 . 1 . . . . 66 D HA . 16424 1 442 . 1 1 47 47 ASP HB2 H 1 2.834 0.006 . 2 . . . . 66 D HB2 . 16424 1 443 . 1 1 47 47 ASP HB3 H 1 2.456 0.006 . 2 . . . . 66 D HB3 . 16424 1 444 . 1 1 47 47 ASP C C 13 174.666 0.166 . 1 . . . . 66 D C . 16424 1 445 . 1 1 47 47 ASP CA C 13 53.134 0.166 . 1 . . . . 66 D CA . 16424 1 446 . 1 1 47 47 ASP CB C 13 40.883 0.166 . 1 . . . . 66 D CB . 16424 1 447 . 1 1 47 47 ASP N N 15 119.046 0.116 . 1 . . . . 66 D N . 16424 1 448 . 1 1 48 48 PRO HA H 1 4.080 0.006 . 1 . . . . 67 P HA . 16424 1 449 . 1 1 48 48 PRO HB2 H 1 1.281 0.006 . 2 . . . . 67 P HB2 . 16424 1 450 . 1 1 48 48 PRO HB3 H 1 0.945 0.006 . 2 . . . . 67 P HB3 . 16424 1 451 . 1 1 48 48 PRO HD2 H 1 3.788 0.006 . 2 . . . . 67 P HD2 . 16424 1 452 . 1 1 48 48 PRO HD3 H 1 3.490 0.006 . 2 . . . . 67 P HD3 . 16424 1 453 . 1 1 48 48 PRO HG2 H 1 1.648 0.006 . 2 . . . . 67 P HG2 . 16424 1 454 . 1 1 48 48 PRO HG3 H 1 1.614 0.006 . 2 . . . . 67 P HG3 . 16424 1 455 . 1 1 48 48 PRO C C 13 178.175 0.166 . 1 . . . . 67 P C . 16424 1 456 . 1 1 48 48 PRO CA C 13 65.015 0.166 . 1 . . . . 67 P CA . 16424 1 457 . 1 1 48 48 PRO CB C 13 31.034 0.166 . 1 . . . . 67 P CB . 16424 1 458 . 1 1 48 48 PRO CD C 13 50.118 0.166 . 1 . . . . 67 P CD . 16424 1 459 . 1 1 48 48 PRO CG C 13 26.922 0.166 . 1 . . . . 67 P CG . 16424 1 460 . 1 1 49 49 PHE H H 1 8.365 0.006 . 1 . . . . 68 F H . 16424 1 461 . 1 1 49 49 PHE HA H 1 4.685 0.006 . 1 . . . . 68 F HA . 16424 1 462 . 1 1 49 49 PHE HB2 H 1 3.401 0.006 . 2 . . . . 68 F HB2 . 16424 1 463 . 1 1 49 49 PHE HB3 H 1 3.020 0.006 . 2 . . . . 68 F HB3 . 16424 1 464 . 1 1 49 49 PHE C C 13 175.637 0.166 . 1 . . . . 68 F C . 16424 1 465 . 1 1 49 49 PHE CA C 13 59.683 0.166 . 1 . . . . 68 F CA . 16424 1 466 . 1 1 49 49 PHE CB C 13 37.029 0.166 . 1 . . . . 68 F CB . 16424 1 467 . 1 1 49 49 PHE N N 15 114.338 0.116 . 1 . . . . 68 F N . 16424 1 468 . 1 1 50 50 GLY H H 1 7.883 0.006 . 1 . . . . 69 G H . 16424 1 469 . 1 1 50 50 GLY HA2 H 1 4.373 0.006 . 2 . . . . 69 G HA2 . 16424 1 470 . 1 1 50 50 GLY HA3 H 1 3.855 0.006 . 2 . . . . 69 G HA3 . 16424 1 471 . 1 1 50 50 GLY C C 13 173.810 0.166 . 1 . . . . 69 G C . 16424 1 472 . 1 1 50 50 GLY CA C 13 45.137 0.166 . 1 . . . . 69 G CA . 16424 1 473 . 1 1 50 50 GLY N N 15 108.067 0.116 . 1 . . . . 69 G N . 16424 1 474 . 1 1 51 51 THR H H 1 7.519 0.006 . 1 . . . . 70 T H . 16424 1 475 . 1 1 51 51 THR C C 13 172.679 0.166 . 1 . . . . 70 T C . 16424 1 476 . 1 1 51 51 THR CA C 13 60.573 0.166 . 1 . . . . 70 T CA . 16424 1 477 . 1 1 51 51 THR CB C 13 69.912 0.166 . 1 . . . . 70 T CB . 16424 1 478 . 1 1 51 51 THR N N 15 114.676 0.116 . 1 . . . . 70 T N . 16424 1 479 . 1 1 52 52 ASN H H 1 8.359 0.006 . 1 . . . . 71 N H . 16424 1 480 . 1 1 52 52 ASN HA H 1 4.691 0.006 . 1 . . . . 71 N HA . 16424 1 481 . 1 1 52 52 ASN HB2 H 1 3.110 0.006 . 2 . . . . 71 N HB2 . 16424 1 482 . 1 1 52 52 ASN HB3 H 1 3.109 0.006 . 2 . . . . 71 N HB3 . 16424 1 483 . 1 1 52 52 ASN HD21 H 1 7.294 0.006 . 2 . . . . 71 N HD21 . 16424 1 484 . 1 1 52 52 ASN HD22 H 1 6.806 0.006 . 2 . . . . 71 N HD22 . 16424 1 485 . 1 1 52 52 ASN C C 13 174.376 0.166 . 1 . . . . 71 N C . 16424 1 486 . 1 1 52 52 ASN CA C 13 53.949 0.166 . 1 . . . . 71 N CA . 16424 1 487 . 1 1 52 52 ASN CB C 13 38.981 0.166 . 1 . . . . 71 N CB . 16424 1 488 . 1 1 52 52 ASN N N 15 120.528 0.116 . 1 . . . . 71 N N . 16424 1 489 . 1 1 52 52 ASN ND2 N 15 110.853 0.116 . 1 . . . . 71 N ND2 . 16424 1 490 . 1 1 53 53 THR H H 1 7.419 0.006 . 1 . . . . 72 T H . 16424 1 491 . 1 1 53 53 THR HA H 1 5.502 0.006 . 1 . . . . 72 T HA . 16424 1 492 . 1 1 53 53 THR HB H 1 3.871 0.006 . 1 . . . . 72 T HB . 16424 1 493 . 1 1 53 53 THR HG21 H 1 0.888 0.006 . 1 . . . . 72 T QG2 . 16424 1 494 . 1 1 53 53 THR HG22 H 1 0.888 0.006 . 1 . . . . 72 T QG2 . 16424 1 495 . 1 1 53 53 THR HG23 H 1 0.888 0.006 . 1 . . . . 72 T QG2 . 16424 1 496 . 1 1 53 53 THR C C 13 173.505 0.166 . 1 . . . . 72 T C . 16424 1 497 . 1 1 53 53 THR CA C 13 61.607 0.166 . 1 . . . . 72 T CA . 16424 1 498 . 1 1 53 53 THR CB C 13 71.072 0.166 . 1 . . . . 72 T CB . 16424 1 499 . 1 1 53 53 THR CG2 C 13 21.550 0.166 . 1 . . . . 72 T CG2 . 16424 1 500 . 1 1 53 53 THR N N 15 114.706 0.116 . 1 . . . . 72 T N . 16424 1 501 . 1 1 54 54 TRP H H 1 9.329 0.006 . 1 . . . . 73 W H . 16424 1 502 . 1 1 54 54 TRP HA H 1 5.166 0.006 . 1 . . . . 73 W HA . 16424 1 503 . 1 1 54 54 TRP HB2 H 1 3.371 0.006 . 2 . . . . 73 W HB2 . 16424 1 504 . 1 1 54 54 TRP HB3 H 1 3.022 0.006 . 2 . . . . 73 W HB3 . 16424 1 505 . 1 1 54 54 TRP HE1 H 1 10.347 0.006 . 1 . . . . 73 W HE1 . 16424 1 506 . 1 1 54 54 TRP C C 13 173.884 0.166 . 1 . . . . 73 W C . 16424 1 507 . 1 1 54 54 TRP CA C 13 53.689 0.166 . 1 . . . . 73 W CA . 16424 1 508 . 1 1 54 54 TRP CB C 13 34.398 0.166 . 1 . . . . 73 W CB . 16424 1 509 . 1 1 54 54 TRP N N 15 126.321 0.116 . 1 . . . . 73 W N . 16424 1 510 . 1 1 54 54 TRP NE1 N 15 129.962 0.116 . 1 . . . . 73 W NE1 . 16424 1 511 . 1 1 55 55 PHE HA H 1 5.796 0.006 . 1 . . . . 74 F HA . 16424 1 512 . 1 1 55 55 PHE HB2 H 1 2.904 0.006 . 2 . . . . 74 F HB2 . 16424 1 513 . 1 1 55 55 PHE HB3 H 1 2.760 0.006 . 2 . . . . 74 F HB3 . 16424 1 514 . 1 1 55 55 PHE C C 13 174.242 0.166 . 1 . . . . 74 F C . 16424 1 515 . 1 1 55 55 PHE CA C 13 56.131 0.166 . 1 . . . . 74 F CA . 16424 1 516 . 1 1 55 55 PHE CB C 13 42.231 0.166 . 1 . . . . 74 F CB . 16424 1 517 . 1 1 56 56 TYR H H 1 9.014 0.006 . 1 . . . . 75 Y H . 16424 1 518 . 1 1 56 56 TYR HA H 1 4.705 0.006 . 1 . . . . 75 Y HA . 16424 1 519 . 1 1 56 56 TYR HB2 H 1 2.866 0.006 . 2 . . . . 75 Y HB2 . 16424 1 520 . 1 1 56 56 TYR HB3 H 1 2.567 0.006 . 2 . . . . 75 Y HB3 . 16424 1 521 . 1 1 56 56 TYR C C 13 174.355 0.166 . 1 . . . . 75 Y C . 16424 1 522 . 1 1 56 56 TYR CA C 13 56.889 0.166 . 1 . . . . 75 Y CA . 16424 1 523 . 1 1 56 56 TYR CB C 13 43.309 0.166 . 1 . . . . 75 Y CB . 16424 1 524 . 1 1 56 56 TYR N N 15 120.011 0.116 . 1 . . . . 75 Y N . 16424 1 525 . 1 1 57 57 VAL H H 1 8.618 0.006 . 1 . . . . 76 V H . 16424 1 526 . 1 1 57 57 VAL HA H 1 4.760 0.006 . 1 . . . . 76 V HA . 16424 1 527 . 1 1 57 57 VAL HB H 1 1.943 0.006 . 1 . . . . 76 V HB . 16424 1 528 . 1 1 57 57 VAL HG11 H 1 0.889 0.006 . 2 . . . . 76 V QG1 . 16424 1 529 . 1 1 57 57 VAL HG12 H 1 0.889 0.006 . 2 . . . . 76 V QG1 . 16424 1 530 . 1 1 57 57 VAL HG13 H 1 0.889 0.006 . 2 . . . . 76 V QG1 . 16424 1 531 . 1 1 57 57 VAL HG21 H 1 0.887 0.006 . 2 . . . . 76 V QG2 . 16424 1 532 . 1 1 57 57 VAL HG22 H 1 0.887 0.006 . 2 . . . . 76 V QG2 . 16424 1 533 . 1 1 57 57 VAL HG23 H 1 0.887 0.006 . 2 . . . . 76 V QG2 . 16424 1 534 . 1 1 57 57 VAL C C 13 175.129 0.166 . 1 . . . . 76 V C . 16424 1 535 . 1 1 57 57 VAL CA C 13 61.383 0.166 . 1 . . . . 76 V CA . 16424 1 536 . 1 1 57 57 VAL CB C 13 33.876 0.166 . 1 . . . . 76 V CB . 16424 1 537 . 1 1 57 57 VAL CG1 C 13 21.392 0.166 . 2 . . . . 76 V CG1 . 16424 1 538 . 1 1 57 57 VAL CG2 C 13 21.392 0.166 . 2 . . . . 76 V CG2 . 16424 1 539 . 1 1 57 57 VAL N N 15 119.811 0.116 . 1 . . . . 76 V N . 16424 1 540 . 1 1 58 58 PHE H H 1 8.659 0.006 . 1 . . . . 77 F H . 16424 1 541 . 1 1 58 58 PHE HA H 1 5.128 0.006 . 1 . . . . 77 F HA . 16424 1 542 . 1 1 58 58 PHE HB2 H 1 2.825 0.006 . 2 . . . . 77 F HB2 . 16424 1 543 . 1 1 58 58 PHE HB3 H 1 2.692 0.006 . 2 . . . . 77 F HB3 . 16424 1 544 . 1 1 58 58 PHE C C 13 174.212 0.166 . 1 . . . . 77 F C . 16424 1 545 . 1 1 58 58 PHE CA C 13 55.945 0.166 . 1 . . . . 77 F CA . 16424 1 546 . 1 1 58 58 PHE CB C 13 41.787 0.166 . 1 . . . . 77 F CB . 16424 1 547 . 1 1 58 58 PHE N N 15 123.046 0.116 . 1 . . . . 77 F N . 16424 1 548 . 1 1 59 59 ARG H H 1 8.694 0.006 . 1 . . . . 78 R H . 16424 1 549 . 1 1 59 59 ARG HA H 1 4.587 0.006 . 1 . . . . 78 R HA . 16424 1 550 . 1 1 59 59 ARG HB2 H 1 1.761 0.006 . 2 . . . . 78 R HB2 . 16424 1 551 . 1 1 59 59 ARG HB3 H 1 1.629 0.006 . 2 . . . . 78 R HB3 . 16424 1 552 . 1 1 59 59 ARG HD2 H 1 2.944 0.006 . 2 . . . . 78 R HD2 . 16424 1 553 . 1 1 59 59 ARG HD3 H 1 2.829 0.006 . 2 . . . . 78 R HD3 . 16424 1 554 . 1 1 59 59 ARG HG2 H 1 1.556 0.006 . 2 . . . . 78 R HG2 . 16424 1 555 . 1 1 59 59 ARG HG3 H 1 1.514 0.006 . 2 . . . . 78 R HG3 . 16424 1 556 . 1 1 59 59 ARG C C 13 175.814 0.166 . 1 . . . . 78 R C . 16424 1 557 . 1 1 59 59 ARG CA C 13 55.420 0.166 . 1 . . . . 78 R CA . 16424 1 558 . 1 1 59 59 ARG CB C 13 32.052 0.166 . 1 . . . . 78 R CB . 16424 1 559 . 1 1 59 59 ARG CD C 13 43.137 0.166 . 1 . . . . 78 R CD . 16424 1 560 . 1 1 59 59 ARG CG C 13 27.287 0.166 . 1 . . . . 78 R CG . 16424 1 561 . 1 1 59 59 ARG N N 15 121.219 0.116 . 1 . . . . 78 R N . 16424 1 562 . 1 1 60 60 GLN H H 1 8.560 0.006 . 1 . . . . 79 Q H . 16424 1 563 . 1 1 60 60 GLN HA H 1 4.399 0.006 . 1 . . . . 79 Q HA . 16424 1 564 . 1 1 60 60 GLN HB2 H 1 2.048 0.006 . 2 . . . . 79 Q HB2 . 16424 1 565 . 1 1 60 60 GLN HB3 H 1 1.929 0.006 . 2 . . . . 79 Q HB3 . 16424 1 566 . 1 1 60 60 GLN HE21 H 1 7.397 0.006 . 2 . . . . 79 Q HE21 . 16424 1 567 . 1 1 60 60 GLN HE22 H 1 6.859 0.006 . 2 . . . . 79 Q HE22 . 16424 1 568 . 1 1 60 60 GLN HG2 H 1 2.342 0.006 . 2 . . . . 79 Q HG2 . 16424 1 569 . 1 1 60 60 GLN HG3 H 1 2.267 0.006 . 2 . . . . 79 Q HG3 . 16424 1 570 . 1 1 60 60 GLN C C 13 175.482 0.166 . 1 . . . . 79 Q C . 16424 1 571 . 1 1 60 60 GLN CA C 13 55.844 0.166 . 1 . . . . 79 Q CA . 16424 1 572 . 1 1 60 60 GLN CB C 13 30.387 0.166 . 1 . . . . 79 Q CB . 16424 1 573 . 1 1 60 60 GLN CG C 13 33.594 0.166 . 1 . . . . 79 Q CG . 16424 1 574 . 1 1 60 60 GLN N N 15 122.160 0.116 . 1 . . . . 79 Q N . 16424 1 575 . 1 1 60 60 GLN NE2 N 15 111.128 0.116 . 1 . . . . 79 Q NE2 . 16424 1 576 . 1 1 61 61 GLN H H 1 8.509 0.006 . 1 . . . . 80 Q H . 16424 1 577 . 1 1 61 61 GLN HA H 1 4.606 0.006 . 1 . . . . 80 Q HA . 16424 1 578 . 1 1 61 61 GLN HB2 H 1 2.072 0.006 . 2 . . . . 80 Q HB2 . 16424 1 579 . 1 1 61 61 GLN HB3 H 1 1.852 0.006 . 2 . . . . 80 Q HB3 . 16424 1 580 . 1 1 61 61 GLN HE21 H 1 7.533 0.006 . 2 . . . . 80 Q HE21 . 16424 1 581 . 1 1 61 61 GLN HE22 H 1 6.865 0.006 . 2 . . . . 80 Q HE22 . 16424 1 582 . 1 1 61 61 GLN HG2 H 1 2.363 0.006 . 2 . . . . 80 Q HG2 . 16424 1 583 . 1 1 61 61 GLN HG3 H 1 2.363 0.006 . 2 . . . . 80 Q HG3 . 16424 1 584 . 1 1 61 61 GLN C C 13 173.713 0.166 . 1 . . . . 80 Q C . 16424 1 585 . 1 1 61 61 GLN CA C 13 53.893 0.166 . 1 . . . . 80 Q CA . 16424 1 586 . 1 1 61 61 GLN CB C 13 28.936 0.166 . 1 . . . . 80 Q CB . 16424 1 587 . 1 1 61 61 GLN CG C 13 33.506 0.166 . 1 . . . . 80 Q CG . 16424 1 588 . 1 1 61 61 GLN N N 15 121.186 0.116 . 1 . . . . 80 Q N . 16424 1 589 . 1 1 61 61 GLN NE2 N 15 111.406 0.116 . 1 . . . . 80 Q NE2 . 16424 1 590 . 1 1 62 62 PRO HA H 1 4.380 0.006 . 1 . . . . 81 P HA . 16424 1 591 . 1 1 62 62 PRO HB2 H 1 2.252 0.006 . 2 . . . . 81 P HB2 . 16424 1 592 . 1 1 62 62 PRO HB3 H 1 1.916 0.006 . 2 . . . . 81 P HB3 . 16424 1 593 . 1 1 62 62 PRO HD2 H 1 3.810 0.006 . 2 . . . . 81 P HD2 . 16424 1 594 . 1 1 62 62 PRO HD3 H 1 3.691 0.006 . 2 . . . . 81 P HD3 . 16424 1 595 . 1 1 62 62 PRO HG2 H 1 2.092 0.006 . 2 . . . . 81 P HG2 . 16424 1 596 . 1 1 62 62 PRO HG3 H 1 1.980 0.006 . 2 . . . . 81 P HG3 . 16424 1 597 . 1 1 62 62 PRO C C 13 177.427 0.166 . 1 . . . . 81 P C . 16424 1 598 . 1 1 62 62 PRO CA C 13 63.812 0.166 . 1 . . . . 81 P CA . 16424 1 599 . 1 1 62 62 PRO CB C 13 31.954 0.166 . 1 . . . . 81 P CB . 16424 1 600 . 1 1 62 62 PRO CD C 13 50.620 0.166 . 1 . . . . 81 P CD . 16424 1 601 . 1 1 62 62 PRO CG C 13 27.585 0.166 . 1 . . . . 81 P CG . 16424 1 602 . 1 1 63 63 GLY H H 1 8.551 0.006 . 1 . . . . 82 G H . 16424 1 603 . 1 1 63 63 GLY CA C 13 45.269 0.166 . 1 . . . . 82 G CA . 16424 1 604 . 1 1 63 63 GLY N N 15 110.489 0.116 . 1 . . . . 82 G N . 16424 1 605 . 1 1 64 64 HIS HA H 1 4.590 0.006 . 1 . . . . 83 H HA . 16424 1 606 . 1 1 64 64 HIS HB2 H 1 3.173 0.006 . 2 . . . . 83 H HB2 . 16424 1 607 . 1 1 64 64 HIS HB3 H 1 3.020 0.006 . 2 . . . . 83 H HB3 . 16424 1 608 . 1 1 64 64 HIS C C 13 175.540 0.166 . 1 . . . . 83 H C . 16424 1 609 . 1 1 64 64 HIS CA C 13 56.466 0.166 . 1 . . . . 83 H CA . 16424 1 610 . 1 1 64 64 HIS CB C 13 30.791 0.166 . 1 . . . . 83 H CB . 16424 1 611 . 1 1 65 65 GLU H H 1 8.572 0.006 . 1 . . . . 84 E H . 16424 1 612 . 1 1 65 65 GLU HA H 1 4.232 0.006 . 1 . . . . 84 E HA . 16424 1 613 . 1 1 65 65 GLU HB2 H 1 2.034 0.006 . 2 . . . . 84 E HB2 . 16424 1 614 . 1 1 65 65 GLU HB3 H 1 1.905 0.006 . 2 . . . . 84 E HB3 . 16424 1 615 . 1 1 65 65 GLU HG2 H 1 2.212 0.006 . 2 . . . . 84 E HG2 . 16424 1 616 . 1 1 65 65 GLU HG3 H 1 2.166 0.006 . 2 . . . . 84 E HG3 . 16424 1 617 . 1 1 65 65 GLU C C 13 176.787 0.166 . 1 . . . . 84 E C . 16424 1 618 . 1 1 65 65 GLU CA C 13 57.139 0.166 . 1 . . . . 84 E CA . 16424 1 619 . 1 1 65 65 GLU CB C 13 29.900 0.166 . 1 . . . . 84 E CB . 16424 1 620 . 1 1 65 65 GLU CG C 13 36.212 0.166 . 1 . . . . 84 E CG . 16424 1 621 . 1 1 65 65 GLU N N 15 121.287 0.116 . 1 . . . . 84 E N . 16424 1 622 . 1 1 66 66 GLY H H 1 8.359 0.006 . 1 . . . . 85 G H . 16424 1 623 . 1 1 66 66 GLY C C 13 174.033 0.166 . 1 . . . . 85 G C . 16424 1 624 . 1 1 66 66 GLY CA C 13 45.371 0.166 . 1 . . . . 85 G CA . 16424 1 625 . 1 1 66 66 GLY N N 15 109.244 0.116 . 1 . . . . 85 G N . 16424 1 626 . 1 1 67 67 VAL H H 1 7.954 0.006 . 1 . . . . 86 V H . 16424 1 627 . 1 1 67 67 VAL HA H 1 4.206 0.006 . 1 . . . . 86 V HA . 16424 1 628 . 1 1 67 67 VAL HB H 1 2.098 0.006 . 1 . . . . 86 V HB . 16424 1 629 . 1 1 67 67 VAL HG11 H 1 0.919 0.006 . 2 . . . . 86 V QG1 . 16424 1 630 . 1 1 67 67 VAL HG12 H 1 0.919 0.006 . 2 . . . . 86 V QG1 . 16424 1 631 . 1 1 67 67 VAL HG13 H 1 0.919 0.006 . 2 . . . . 86 V QG1 . 16424 1 632 . 1 1 67 67 VAL HG21 H 1 0.915 0.006 . 2 . . . . 86 V QG2 . 16424 1 633 . 1 1 67 67 VAL HG22 H 1 0.915 0.006 . 2 . . . . 86 V QG2 . 16424 1 634 . 1 1 67 67 VAL HG23 H 1 0.915 0.006 . 2 . . . . 86 V QG2 . 16424 1 635 . 1 1 67 67 VAL C C 13 176.464 0.166 . 1 . . . . 86 V C . 16424 1 636 . 1 1 67 67 VAL CA C 13 62.461 0.166 . 1 . . . . 86 V CA . 16424 1 637 . 1 1 67 67 VAL CB C 13 32.699 0.166 . 1 . . . . 86 V CB . 16424 1 638 . 1 1 67 67 VAL CG1 C 13 21.272 0.166 . 2 . . . . 86 V CG1 . 16424 1 639 . 1 1 67 67 VAL CG2 C 13 20.535 0.166 . 2 . . . . 86 V CG2 . 16424 1 640 . 1 1 67 67 VAL N N 15 118.724 0.116 . 1 . . . . 86 V N . 16424 1 641 . 1 1 68 68 THR H H 1 8.232 0.006 . 1 . . . . 87 T H . 16424 1 642 . 1 1 68 68 THR HA H 1 5.134 0.006 . 1 . . . . 87 T HA . 16424 1 643 . 1 1 68 68 THR HB H 1 4.019 0.006 . 1 . . . . 87 T HB . 16424 1 644 . 1 1 68 68 THR HG21 H 1 1.040 0.006 . 1 . . . . 87 T QG2 . 16424 1 645 . 1 1 68 68 THR HG22 H 1 1.040 0.006 . 1 . . . . 87 T QG2 . 16424 1 646 . 1 1 68 68 THR HG23 H 1 1.040 0.006 . 1 . . . . 87 T QG2 . 16424 1 647 . 1 1 68 68 THR C C 13 174.107 0.166 . 1 . . . . 87 T C . 16424 1 648 . 1 1 68 68 THR CA C 13 62.189 0.166 . 1 . . . . 87 T CA . 16424 1 649 . 1 1 68 68 THR CB C 13 69.936 0.166 . 1 . . . . 87 T CB . 16424 1 650 . 1 1 68 68 THR CG2 C 13 21.374 0.166 . 1 . . . . 87 T CG2 . 16424 1 651 . 1 1 68 68 THR N N 15 117.554 0.116 . 1 . . . . 87 T N . 16424 1 652 . 1 1 69 69 GLN H H 1 8.308 0.006 . 1 . . . . 88 Q H . 16424 1 653 . 1 1 69 69 GLN HA H 1 4.652 0.006 . 1 . . . . 88 Q HA . 16424 1 654 . 1 1 69 69 GLN HB2 H 1 1.979 0.006 . 2 . . . . 88 Q HB2 . 16424 1 655 . 1 1 69 69 GLN HB3 H 1 1.886 0.006 . 2 . . . . 88 Q HB3 . 16424 1 656 . 1 1 69 69 GLN HE21 H 1 7.380 0.006 . 2 . . . . 88 Q HE21 . 16424 1 657 . 1 1 69 69 GLN HE22 H 1 6.792 0.006 . 2 . . . . 88 Q HE22 . 16424 1 658 . 1 1 69 69 GLN HG2 H 1 2.250 0.006 . 2 . . . . 88 Q HG2 . 16424 1 659 . 1 1 69 69 GLN HG3 H 1 2.181 0.006 . 2 . . . . 88 Q HG3 . 16424 1 660 . 1 1 69 69 GLN C C 13 174.632 0.166 . 1 . . . . 88 Q C . 16424 1 661 . 1 1 69 69 GLN CA C 13 55.561 0.166 . 1 . . . . 88 Q CA . 16424 1 662 . 1 1 69 69 GLN CB C 13 30.614 0.166 . 1 . . . . 88 Q CB . 16424 1 663 . 1 1 69 69 GLN CG C 13 34.332 0.166 . 1 . . . . 88 Q CG . 16424 1 664 . 1 1 69 69 GLN N N 15 122.095 0.116 . 1 . . . . 88 Q N . 16424 1 665 . 1 1 69 69 GLN NE2 N 15 110.887 0.116 . 1 . . . . 88 Q NE2 . 16424 1 666 . 1 1 70 70 GLN H H 1 8.673 0.006 . 1 . . . . 89 Q H . 16424 1 667 . 1 1 70 70 GLN HA H 1 4.576 0.006 . 1 . . . . 89 Q HA . 16424 1 668 . 1 1 70 70 GLN HB2 H 1 1.744 0.006 . 2 . . . . 89 Q HB2 . 16424 1 669 . 1 1 70 70 GLN HB3 H 1 1.219 0.006 . 2 . . . . 89 Q HB3 . 16424 1 670 . 1 1 70 70 GLN HE21 H 1 7.263 0.006 . 2 . . . . 89 Q HE21 . 16424 1 671 . 1 1 70 70 GLN HE22 H 1 6.623 0.006 . 2 . . . . 89 Q HE22 . 16424 1 672 . 1 1 70 70 GLN HG2 H 1 2.082 0.006 . 2 . . . . 89 Q HG2 . 16424 1 673 . 1 1 70 70 GLN HG3 H 1 2.008 0.006 . 2 . . . . 89 Q HG3 . 16424 1 674 . 1 1 70 70 GLN C C 13 174.513 0.166 . 1 . . . . 89 Q C . 16424 1 675 . 1 1 70 70 GLN CA C 13 54.804 0.166 . 1 . . . . 89 Q CA . 16424 1 676 . 1 1 70 70 GLN CB C 13 31.433 0.166 . 1 . . . . 89 Q CB . 16424 1 677 . 1 1 70 70 GLN CG C 13 33.757 0.166 . 1 . . . . 89 Q CG . 16424 1 678 . 1 1 70 70 GLN N N 15 122.814 0.116 . 1 . . . . 89 Q N . 16424 1 679 . 1 1 70 70 GLN NE2 N 15 110.153 0.116 . 1 . . . . 89 Q NE2 . 16424 1 680 . 1 1 71 71 THR H H 1 8.694 0.006 . 1 . . . . 90 T H . 16424 1 681 . 1 1 71 71 THR HA H 1 5.006 0.006 . 1 . . . . 90 T HA . 16424 1 682 . 1 1 71 71 THR HB H 1 4.083 0.006 . 1 . . . . 90 T HB . 16424 1 683 . 1 1 71 71 THR HG21 H 1 1.218 0.006 . 1 . . . . 90 T QG2 . 16424 1 684 . 1 1 71 71 THR HG22 H 1 1.218 0.006 . 1 . . . . 90 T QG2 . 16424 1 685 . 1 1 71 71 THR HG23 H 1 1.218 0.006 . 1 . . . . 90 T QG2 . 16424 1 686 . 1 1 71 71 THR C C 13 173.240 0.166 . 1 . . . . 90 T C . 16424 1 687 . 1 1 71 71 THR CA C 13 61.215 0.166 . 1 . . . . 90 T CA . 16424 1 688 . 1 1 71 71 THR CB C 13 71.194 0.166 . 1 . . . . 90 T CB . 16424 1 689 . 1 1 71 71 THR CG2 C 13 21.861 0.166 . 1 . . . . 90 T CG2 . 16424 1 690 . 1 1 71 71 THR N N 15 115.570 0.116 . 1 . . . . 90 T N . 16424 1 691 . 1 1 72 72 LEU H H 1 9.268 0.006 . 1 . . . . 91 L H . 16424 1 692 . 1 1 72 72 LEU HA H 1 5.137 0.006 . 1 . . . . 91 L HA . 16424 1 693 . 1 1 72 72 LEU HB2 H 1 1.924 0.006 . 2 . . . . 91 L HB2 . 16424 1 694 . 1 1 72 72 LEU HB3 H 1 1.373 0.006 . 2 . . . . 91 L HB3 . 16424 1 695 . 1 1 72 72 LEU HD11 H 1 0.807 0.006 . 2 . . . . 91 L QD1 . 16424 1 696 . 1 1 72 72 LEU HD12 H 1 0.807 0.006 . 2 . . . . 91 L QD1 . 16424 1 697 . 1 1 72 72 LEU HD13 H 1 0.807 0.006 . 2 . . . . 91 L QD1 . 16424 1 698 . 1 1 72 72 LEU HD21 H 1 0.812 0.006 . 2 . . . . 91 L QD2 . 16424 1 699 . 1 1 72 72 LEU HD22 H 1 0.812 0.006 . 2 . . . . 91 L QD2 . 16424 1 700 . 1 1 72 72 LEU HD23 H 1 0.812 0.006 . 2 . . . . 91 L QD2 . 16424 1 701 . 1 1 72 72 LEU HG H 1 0.631 0.006 . 1 . . . . 91 L HG . 16424 1 702 . 1 1 72 72 LEU C C 13 175.001 0.166 . 1 . . . . 91 L C . 16424 1 703 . 1 1 72 72 LEU CA C 13 53.672 0.166 . 1 . . . . 91 L CA . 16424 1 704 . 1 1 72 72 LEU CB C 13 46.010 0.166 . 1 . . . . 91 L CB . 16424 1 705 . 1 1 72 72 LEU CD1 C 13 24.257 0.166 . 2 . . . . 91 L CD1 . 16424 1 706 . 1 1 72 72 LEU CD2 C 13 24.263 0.166 . 2 . . . . 91 L CD2 . 16424 1 707 . 1 1 72 72 LEU CG C 13 26.296 0.166 . 1 . . . . 91 L CG . 16424 1 708 . 1 1 72 72 LEU N N 15 128.052 0.116 . 1 . . . . 91 L N . 16424 1 709 . 1 1 73 73 THR H H 1 9.015 0.006 . 1 . . . . 92 T H . 16424 1 710 . 1 1 73 73 THR HA H 1 4.315 0.006 . 1 . . . . 92 T HA . 16424 1 711 . 1 1 73 73 THR HB H 1 4.195 0.006 . 1 . . . . 92 T HB . 16424 1 712 . 1 1 73 73 THR C C 13 174.409 0.166 . 1 . . . . 92 T C . 16424 1 713 . 1 1 73 73 THR CA C 13 62.269 0.166 . 1 . . . . 92 T CA . 16424 1 714 . 1 1 73 73 THR CB C 13 69.741 0.166 . 1 . . . . 92 T CB . 16424 1 715 . 1 1 73 73 THR N N 15 122.002 0.116 . 1 . . . . 92 T N . 16424 1 716 . 1 1 74 74 LEU H H 1 9.616 0.006 . 1 . . . . 93 L H . 16424 1 717 . 1 1 74 74 LEU HA H 1 4.867 0.006 . 1 . . . . 93 L HA . 16424 1 718 . 1 1 74 74 LEU HB2 H 1 1.896 0.006 . 2 . . . . 93 L HB2 . 16424 1 719 . 1 1 74 74 LEU HB3 H 1 1.042 0.006 . 2 . . . . 93 L HB3 . 16424 1 720 . 1 1 74 74 LEU HD11 H 1 1.135 0.006 . 2 . . . . 93 L QD1 . 16424 1 721 . 1 1 74 74 LEU HD12 H 1 1.135 0.006 . 2 . . . . 93 L QD1 . 16424 1 722 . 1 1 74 74 LEU HD13 H 1 1.135 0.006 . 2 . . . . 93 L QD1 . 16424 1 723 . 1 1 74 74 LEU HD21 H 1 0.864 0.006 . 2 . . . . 93 L QD2 . 16424 1 724 . 1 1 74 74 LEU HD22 H 1 0.864 0.006 . 2 . . . . 93 L QD2 . 16424 1 725 . 1 1 74 74 LEU HD23 H 1 0.864 0.006 . 2 . . . . 93 L QD2 . 16424 1 726 . 1 1 74 74 LEU HG H 1 1.734 0.006 . 1 . . . . 93 L HG . 16424 1 727 . 1 1 74 74 LEU C C 13 174.415 0.166 . 1 . . . . 93 L C . 16424 1 728 . 1 1 74 74 LEU CA C 13 53.081 0.166 . 1 . . . . 93 L CA . 16424 1 729 . 1 1 74 74 LEU CB C 13 43.233 0.166 . 1 . . . . 93 L CB . 16424 1 730 . 1 1 74 74 LEU CD1 C 13 28.117 0.166 . 2 . . . . 93 L CD1 . 16424 1 731 . 1 1 74 74 LEU CD2 C 13 25.354 0.166 . 2 . . . . 93 L CD2 . 16424 1 732 . 1 1 74 74 LEU CG C 13 27.568 0.166 . 1 . . . . 93 L CG . 16424 1 733 . 1 1 74 74 LEU N N 15 130.386 0.116 . 1 . . . . 93 L N . 16424 1 734 . 1 1 75 75 THR H H 1 8.063 0.006 . 1 . . . . 94 T H . 16424 1 735 . 1 1 75 75 THR HA H 1 4.491 0.006 . 1 . . . . 94 T HA . 16424 1 736 . 1 1 75 75 THR HB H 1 4.183 0.006 . 1 . . . . 94 T HB . 16424 1 737 . 1 1 75 75 THR HG21 H 1 1.189 0.006 . 1 . . . . 94 T QG2 . 16424 1 738 . 1 1 75 75 THR HG22 H 1 1.189 0.006 . 1 . . . . 94 T QG2 . 16424 1 739 . 1 1 75 75 THR HG23 H 1 1.189 0.006 . 1 . . . . 94 T QG2 . 16424 1 740 . 1 1 75 75 THR C C 13 172.019 0.166 . 1 . . . . 94 T C . 16424 1 741 . 1 1 75 75 THR CA C 13 62.263 0.166 . 1 . . . . 94 T CA . 16424 1 742 . 1 1 75 75 THR CB C 13 70.211 0.166 . 1 . . . . 94 T CB . 16424 1 743 . 1 1 75 75 THR CG2 C 13 21.444 0.166 . 1 . . . . 94 T CG2 . 16424 1 744 . 1 1 75 75 THR N N 15 118.118 0.116 . 1 . . . . 94 T N . 16424 1 745 . 1 1 76 76 PHE H H 1 9.188 0.006 . 1 . . . . 95 F H . 16424 1 746 . 1 1 76 76 PHE HA H 1 5.208 0.006 . 1 . . . . 95 F HA . 16424 1 747 . 1 1 76 76 PHE HB2 H 1 2.697 0.006 . 2 . . . . 95 F HB2 . 16424 1 748 . 1 1 76 76 PHE HB3 H 1 2.614 0.006 . 2 . . . . 95 F HB3 . 16424 1 749 . 1 1 76 76 PHE C C 13 175.517 0.166 . 1 . . . . 95 F C . 16424 1 750 . 1 1 76 76 PHE CA C 13 55.639 0.166 . 1 . . . . 95 F CA . 16424 1 751 . 1 1 76 76 PHE CB C 13 41.603 0.166 . 1 . . . . 95 F CB . 16424 1 752 . 1 1 76 76 PHE N N 15 124.702 0.116 . 1 . . . . 95 F N . 16424 1 753 . 1 1 77 77 ASN H H 1 8.826 0.006 . 1 . . . . 96 N H . 16424 1 754 . 1 1 77 77 ASN HA H 1 4.813 0.006 . 1 . . . . 96 N HA . 16424 1 755 . 1 1 77 77 ASN HB2 H 1 3.653 0.006 . 2 . . . . 96 N HB2 . 16424 1 756 . 1 1 77 77 ASN HB3 H 1 2.992 0.006 . 2 . . . . 96 N HB3 . 16424 1 757 . 1 1 77 77 ASN C C 13 177.628 0.166 . 1 . . . . 96 N C . 16424 1 758 . 1 1 77 77 ASN CA C 13 51.104 0.166 . 1 . . . . 96 N CA . 16424 1 759 . 1 1 77 77 ASN CB C 13 38.698 0.166 . 1 . . . . 96 N CB . 16424 1 760 . 1 1 77 77 ASN N N 15 118.446 0.116 . 1 . . . . 96 N N . 16424 1 761 . 1 1 78 78 SER HA H 1 4.255 0.006 . 1 . . . . 97 S HA . 16424 1 762 . 1 1 78 78 SER HB2 H 1 4.081 0.006 . 2 . . . . 97 S HB2 . 16424 1 763 . 1 1 78 78 SER HB3 H 1 3.977 0.006 . 2 . . . . 97 S HB3 . 16424 1 764 . 1 1 78 78 SER C C 13 175.641 0.166 . 1 . . . . 97 S C . 16424 1 765 . 1 1 78 78 SER CA C 13 61.026 0.166 . 1 . . . . 97 S CA . 16424 1 766 . 1 1 78 78 SER CB C 13 62.543 0.166 . 1 . . . . 97 S CB . 16424 1 767 . 1 1 79 79 SER H H 1 7.730 0.006 . 1 . . . . 98 S H . 16424 1 768 . 1 1 79 79 SER HA H 1 4.663 0.006 . 1 . . . . 98 S HA . 16424 1 769 . 1 1 79 79 SER HB2 H 1 4.067 0.006 . 2 . . . . 98 S HB2 . 16424 1 770 . 1 1 79 79 SER HB3 H 1 3.885 0.006 . 2 . . . . 98 S HB3 . 16424 1 771 . 1 1 79 79 SER C C 13 174.073 0.166 . 1 . . . . 98 S C . 16424 1 772 . 1 1 79 79 SER CA C 13 58.489 0.166 . 1 . . . . 98 S CA . 16424 1 773 . 1 1 79 79 SER CB C 13 63.504 0.166 . 1 . . . . 98 S CB . 16424 1 774 . 1 1 79 79 SER N N 15 116.755 0.116 . 1 . . . . 98 S N . 16424 1 775 . 1 1 80 80 GLY H H 1 8.336 0.006 . 1 . . . . 99 G H . 16424 1 776 . 1 1 80 80 GLY C C 13 172.846 0.166 . 1 . . . . 99 G C . 16424 1 777 . 1 1 80 80 GLY CA C 13 45.815 0.166 . 1 . . . . 99 G CA . 16424 1 778 . 1 1 80 80 GLY N N 15 109.210 0.116 . 1 . . . . 99 G N . 16424 1 779 . 1 1 81 81 VAL H H 1 7.697 0.006 . 1 . . . . 100 V H . 16424 1 780 . 1 1 81 81 VAL HA H 1 4.250 0.006 . 1 . . . . 100 V HA . 16424 1 781 . 1 1 81 81 VAL HB H 1 1.860 0.006 . 1 . . . . 100 V HB . 16424 1 782 . 1 1 81 81 VAL HG11 H 1 0.781 0.006 . 2 . . . . 100 V QG1 . 16424 1 783 . 1 1 81 81 VAL HG12 H 1 0.781 0.006 . 2 . . . . 100 V QG1 . 16424 1 784 . 1 1 81 81 VAL HG13 H 1 0.781 0.006 . 2 . . . . 100 V QG1 . 16424 1 785 . 1 1 81 81 VAL HG21 H 1 0.781 0.006 . 2 . . . . 100 V QG2 . 16424 1 786 . 1 1 81 81 VAL HG22 H 1 0.781 0.006 . 2 . . . . 100 V QG2 . 16424 1 787 . 1 1 81 81 VAL HG23 H 1 0.781 0.006 . 2 . . . . 100 V QG2 . 16424 1 788 . 1 1 81 81 VAL C C 13 175.889 0.166 . 1 . . . . 100 V C . 16424 1 789 . 1 1 81 81 VAL CA C 13 61.959 0.166 . 1 . . . . 100 V CA . 16424 1 790 . 1 1 81 81 VAL CB C 13 32.901 0.166 . 1 . . . . 100 V CB . 16424 1 791 . 1 1 81 81 VAL CG1 C 13 21.505 0.166 . 2 . . . . 100 V CG1 . 16424 1 792 . 1 1 81 81 VAL CG2 C 13 21.505 0.166 . 2 . . . . 100 V CG2 . 16424 1 793 . 1 1 81 81 VAL N N 15 119.797 0.116 . 1 . . . . 100 V N . 16424 1 794 . 1 1 82 82 LEU H H 1 9.460 0.006 . 1 . . . . 101 L H . 16424 1 795 . 1 1 82 82 LEU HA H 1 3.748 0.006 . 1 . . . . 101 L HA . 16424 1 796 . 1 1 82 82 LEU HB2 H 1 1.917 0.006 . 2 . . . . 101 L HB2 . 16424 1 797 . 1 1 82 82 LEU HB3 H 1 1.168 0.006 . 2 . . . . 101 L HB3 . 16424 1 798 . 1 1 82 82 LEU HD11 H 1 0.972 0.006 . 2 . . . . 101 L QD1 . 16424 1 799 . 1 1 82 82 LEU HD12 H 1 0.972 0.006 . 2 . . . . 101 L QD1 . 16424 1 800 . 1 1 82 82 LEU HD13 H 1 0.972 0.006 . 2 . . . . 101 L QD1 . 16424 1 801 . 1 1 82 82 LEU HD21 H 1 0.203 0.006 . 2 . . . . 101 L QD2 . 16424 1 802 . 1 1 82 82 LEU HD22 H 1 0.203 0.006 . 2 . . . . 101 L QD2 . 16424 1 803 . 1 1 82 82 LEU HD23 H 1 0.203 0.006 . 2 . . . . 101 L QD2 . 16424 1 804 . 1 1 82 82 LEU HG H 1 0.591 0.006 . 1 . . . . 101 L HG . 16424 1 805 . 1 1 82 82 LEU C C 13 176.960 0.166 . 1 . . . . 101 L C . 16424 1 806 . 1 1 82 82 LEU CA C 13 55.854 0.166 . 1 . . . . 101 L CA . 16424 1 807 . 1 1 82 82 LEU CB C 13 42.466 0.166 . 1 . . . . 101 L CB . 16424 1 808 . 1 1 82 82 LEU CD1 C 13 26.765 0.166 . 2 . . . . 101 L CD1 . 16424 1 809 . 1 1 82 82 LEU CD2 C 13 24.171 0.166 . 2 . . . . 101 L CD2 . 16424 1 810 . 1 1 82 82 LEU CG C 13 26.373 0.166 . 1 . . . . 101 L CG . 16424 1 811 . 1 1 82 82 LEU N N 15 129.131 0.116 . 1 . . . . 101 L N . 16424 1 812 . 1 1 83 83 THR H H 1 9.319 0.006 . 1 . . . . 102 T H . 16424 1 813 . 1 1 83 83 THR HA H 1 4.340 0.006 . 1 . . . . 102 T HA . 16424 1 814 . 1 1 83 83 THR HB H 1 4.179 0.006 . 1 . . . . 102 T HB . 16424 1 815 . 1 1 83 83 THR HG21 H 1 1.194 0.006 . 1 . . . . 102 T QG2 . 16424 1 816 . 1 1 83 83 THR HG22 H 1 1.194 0.006 . 1 . . . . 102 T QG2 . 16424 1 817 . 1 1 83 83 THR HG23 H 1 1.194 0.006 . 1 . . . . 102 T QG2 . 16424 1 818 . 1 1 83 83 THR C C 13 174.822 0.166 . 1 . . . . 102 T C . 16424 1 819 . 1 1 83 83 THR CA C 13 62.250 0.166 . 1 . . . . 102 T CA . 16424 1 820 . 1 1 83 83 THR CB C 13 70.057 0.166 . 1 . . . . 102 T CB . 16424 1 821 . 1 1 83 83 THR CG2 C 13 21.976 0.166 . 1 . . . . 102 T CG2 . 16424 1 822 . 1 1 83 83 THR N N 15 119.633 0.116 . 1 . . . . 102 T N . 16424 1 823 . 1 1 84 84 ASN H H 1 7.354 0.006 . 1 . . . . 103 N H . 16424 1 824 . 1 1 84 84 ASN HA H 1 4.826 0.006 . 1 . . . . 103 N HA . 16424 1 825 . 1 1 84 84 ASN HB2 H 1 2.500 0.006 . 2 . . . . 103 N HB2 . 16424 1 826 . 1 1 84 84 ASN HB3 H 1 2.498 0.006 . 2 . . . . 103 N HB3 . 16424 1 827 . 1 1 84 84 ASN HD21 H 1 7.706 0.006 . 2 . . . . 103 N HD21 . 16424 1 828 . 1 1 84 84 ASN HD22 H 1 6.920 0.006 . 2 . . . . 103 N HD22 . 16424 1 829 . 1 1 84 84 ASN C C 13 171.677 0.166 . 1 . . . . 103 N C . 16424 1 830 . 1 1 84 84 ASN CA C 13 54.387 0.166 . 1 . . . . 103 N CA . 16424 1 831 . 1 1 84 84 ASN CB C 13 42.568 0.166 . 1 . . . . 103 N CB . 16424 1 832 . 1 1 84 84 ASN N N 15 118.111 0.116 . 1 . . . . 103 N N . 16424 1 833 . 1 1 84 84 ASN ND2 N 15 113.609 0.116 . 1 . . . . 103 N ND2 . 16424 1 834 . 1 1 85 85 ILE H H 1 8.482 0.006 . 1 . . . . 104 I H . 16424 1 835 . 1 1 85 85 ILE HA H 1 4.181 0.006 . 1 . . . . 104 I HA . 16424 1 836 . 1 1 85 85 ILE HB H 1 1.588 0.006 . 1 . . . . 104 I HB . 16424 1 837 . 1 1 85 85 ILE HD11 H 1 0.694 0.006 . 1 . . . . 104 I QD1 . 16424 1 838 . 1 1 85 85 ILE HD12 H 1 0.694 0.006 . 1 . . . . 104 I QD1 . 16424 1 839 . 1 1 85 85 ILE HD13 H 1 0.694 0.006 . 1 . . . . 104 I QD1 . 16424 1 840 . 1 1 85 85 ILE HG12 H 1 1.258 0.006 . 2 . . . . 104 I HG12 . 16424 1 841 . 1 1 85 85 ILE HG13 H 1 0.651 0.006 . 2 . . . . 104 I HG13 . 16424 1 842 . 1 1 85 85 ILE HG21 H 1 0.690 0.006 . 1 . . . . 104 I QG2 . 16424 1 843 . 1 1 85 85 ILE HG22 H 1 0.690 0.006 . 1 . . . . 104 I QG2 . 16424 1 844 . 1 1 85 85 ILE HG23 H 1 0.690 0.006 . 1 . . . . 104 I QG2 . 16424 1 845 . 1 1 85 85 ILE C C 13 173.989 0.166 . 1 . . . . 104 I C . 16424 1 846 . 1 1 85 85 ILE CA C 13 61.103 0.166 . 1 . . . . 104 I CA . 16424 1 847 . 1 1 85 85 ILE CB C 13 40.512 0.166 . 1 . . . . 104 I CB . 16424 1 848 . 1 1 85 85 ILE CD1 C 13 14.191 0.166 . 1 . . . . 104 I CD1 . 16424 1 849 . 1 1 85 85 ILE CG1 C 13 27.431 0.166 . 1 . . . . 104 I CG1 . 16424 1 850 . 1 1 85 85 ILE CG2 C 13 17.558 0.166 . 1 . . . . 104 I CG2 . 16424 1 851 . 1 1 85 85 ILE N N 15 124.331 0.116 . 1 . . . . 104 I N . 16424 1 852 . 1 1 86 86 ASP H H 1 8.577 0.006 . 1 . . . . 105 D H . 16424 1 853 . 1 1 86 86 ASP HA H 1 5.071 0.006 . 1 . . . . 105 D HA . 16424 1 854 . 1 1 86 86 ASP HB2 H 1 2.747 0.006 . 2 . . . . 105 D HB2 . 16424 1 855 . 1 1 86 86 ASP HB3 H 1 2.473 0.006 . 2 . . . . 105 D HB3 . 16424 1 856 . 1 1 86 86 ASP C C 13 174.490 0.166 . 1 . . . . 105 D C . 16424 1 857 . 1 1 86 86 ASP CA C 13 53.336 0.166 . 1 . . . . 105 D CA . 16424 1 858 . 1 1 86 86 ASP CB C 13 44.171 0.166 . 1 . . . . 105 D CB . 16424 1 859 . 1 1 86 86 ASP N N 15 126.541 0.116 . 1 . . . . 105 D N . 16424 1 860 . 1 1 87 87 ASN H H 1 8.705 0.006 . 1 . . . . 106 N H . 16424 1 861 . 1 1 87 87 ASN HA H 1 5.416 0.006 . 1 . . . . 106 N HA . 16424 1 862 . 1 1 87 87 ASN HB2 H 1 2.808 0.006 . 2 . . . . 106 N HB2 . 16424 1 863 . 1 1 87 87 ASN HB3 H 1 2.630 0.006 . 2 . . . . 106 N HB3 . 16424 1 864 . 1 1 87 87 ASN C C 13 174.246 0.166 . 1 . . . . 106 N C . 16424 1 865 . 1 1 87 87 ASN CA C 13 52.413 0.166 . 1 . . . . 106 N CA . 16424 1 866 . 1 1 87 87 ASN CB C 13 39.905 0.166 . 1 . . . . 106 N CB . 16424 1 867 . 1 1 87 87 ASN N N 15 123.558 0.116 . 1 . . . . 106 N N . 16424 1 868 . 1 1 88 88 LYS H H 1 8.399 0.006 . 1 . . . . 107 K H . 16424 1 869 . 1 1 88 88 LYS HA H 1 4.785 0.006 . 1 . . . . 107 K HA . 16424 1 870 . 1 1 88 88 LYS HB2 H 1 1.845 0.006 . 2 . . . . 107 K HB2 . 16424 1 871 . 1 1 88 88 LYS HB3 H 1 1.739 0.006 . 2 . . . . 107 K HB3 . 16424 1 872 . 1 1 88 88 LYS HD2 H 1 1.745 0.006 . 2 . . . . 107 K HD2 . 16424 1 873 . 1 1 88 88 LYS HD3 H 1 1.685 0.006 . 2 . . . . 107 K HD3 . 16424 1 874 . 1 1 88 88 LYS HE2 H 1 3.010 0.006 . 2 . . . . 107 K HE2 . 16424 1 875 . 1 1 88 88 LYS HE3 H 1 3.010 0.006 . 2 . . . . 107 K HE3 . 16424 1 876 . 1 1 88 88 LYS HG2 H 1 1.427 0.006 . 2 . . . . 107 K HG2 . 16424 1 877 . 1 1 88 88 LYS HG3 H 1 1.427 0.006 . 2 . . . . 107 K HG3 . 16424 1 878 . 1 1 88 88 LYS C C 13 173.862 0.166 . 1 . . . . 107 K C . 16424 1 879 . 1 1 88 88 LYS CA C 13 54.070 0.166 . 1 . . . . 107 K CA . 16424 1 880 . 1 1 88 88 LYS CB C 13 34.023 0.166 . 1 . . . . 107 K CB . 16424 1 881 . 1 1 88 88 LYS CD C 13 29.024 0.166 . 1 . . . . 107 K CD . 16424 1 882 . 1 1 88 88 LYS CE C 13 42.179 0.166 . 1 . . . . 107 K CE . 16424 1 883 . 1 1 88 88 LYS CG C 13 24.399 0.166 . 1 . . . . 107 K CG . 16424 1 884 . 1 1 88 88 LYS N N 15 122.554 0.116 . 1 . . . . 107 K N . 16424 1 885 . 1 1 89 89 PRO HA H 1 4.483 0.006 . 1 . . . . 108 P HA . 16424 1 886 . 1 1 89 89 PRO HB2 H 1 2.282 0.006 . 2 . . . . 108 P HB2 . 16424 1 887 . 1 1 89 89 PRO HB3 H 1 1.872 0.006 . 2 . . . . 108 P HB3 . 16424 1 888 . 1 1 89 89 PRO HD2 H 1 3.810 0.006 . 2 . . . . 108 P HD2 . 16424 1 889 . 1 1 89 89 PRO HD3 H 1 3.641 0.006 . 2 . . . . 108 P HD3 . 16424 1 890 . 1 1 89 89 PRO HG2 H 1 2.036 0.006 . 2 . . . . 108 P HG2 . 16424 1 891 . 1 1 89 89 PRO HG3 H 1 1.978 0.006 . 2 . . . . 108 P HG3 . 16424 1 892 . 1 1 89 89 PRO C C 13 176.418 0.166 . 1 . . . . 108 P C . 16424 1 893 . 1 1 89 89 PRO CA C 13 63.051 0.166 . 1 . . . . 108 P CA . 16424 1 894 . 1 1 89 89 PRO CB C 13 32.173 0.166 . 1 . . . . 108 P CB . 16424 1 895 . 1 1 89 89 PRO CD C 13 50.813 0.166 . 1 . . . . 108 P CD . 16424 1 896 . 1 1 89 89 PRO CG C 13 27.588 0.166 . 1 . . . . 108 P CG . 16424 1 897 . 1 1 90 90 ALA H H 1 8.374 0.006 . 1 . . . . 109 A H . 16424 1 898 . 1 1 90 90 ALA HA H 1 4.326 0.006 . 1 . . . . 109 A HA . 16424 1 899 . 1 1 90 90 ALA HB1 H 1 1.274 0.006 . 1 . . . . 109 A QB . 16424 1 900 . 1 1 90 90 ALA HB2 H 1 1.274 0.006 . 1 . . . . 109 A QB . 16424 1 901 . 1 1 90 90 ALA HB3 H 1 1.274 0.006 . 1 . . . . 109 A QB . 16424 1 902 . 1 1 90 90 ALA C C 13 177.327 0.166 . 1 . . . . 109 A C . 16424 1 903 . 1 1 90 90 ALA CA C 13 52.153 0.166 . 1 . . . . 109 A CA . 16424 1 904 . 1 1 90 90 ALA CB C 13 19.509 0.166 . 1 . . . . 109 A CB . 16424 1 905 . 1 1 90 90 ALA N N 15 124.917 0.116 . 1 . . . . 109 A N . 16424 1 906 . 1 1 91 91 LEU H H 1 8.249 0.006 . 1 . . . . 110 L H . 16424 1 907 . 1 1 91 91 LEU HA H 1 4.366 0.006 . 1 . . . . 110 L HA . 16424 1 908 . 1 1 91 91 LEU HB2 H 1 1.604 0.006 . 2 . . . . 110 L HB2 . 16424 1 909 . 1 1 91 91 LEU HB3 H 1 1.603 0.006 . 2 . . . . 110 L HB3 . 16424 1 910 . 1 1 91 91 LEU HD11 H 1 0.870 0.006 . 2 . . . . 110 L QD1 . 16424 1 911 . 1 1 91 91 LEU HD12 H 1 0.870 0.006 . 2 . . . . 110 L QD1 . 16424 1 912 . 1 1 91 91 LEU HD13 H 1 0.870 0.006 . 2 . . . . 110 L QD1 . 16424 1 913 . 1 1 91 91 LEU HD21 H 1 0.823 0.006 . 2 . . . . 110 L QD2 . 16424 1 914 . 1 1 91 91 LEU HD22 H 1 0.823 0.006 . 2 . . . . 110 L QD2 . 16424 1 915 . 1 1 91 91 LEU HD23 H 1 0.823 0.006 . 2 . . . . 110 L QD2 . 16424 1 916 . 1 1 91 91 LEU HG H 1 1.594 0.006 . 1 . . . . 110 L HG . 16424 1 917 . 1 1 91 91 LEU C C 13 177.362 0.166 . 1 . . . . 110 L C . 16424 1 918 . 1 1 91 91 LEU CA C 13 54.948 0.166 . 1 . . . . 110 L CA . 16424 1 919 . 1 1 91 91 LEU CB C 13 42.363 0.166 . 1 . . . . 110 L CB . 16424 1 920 . 1 1 91 91 LEU CD1 C 13 24.955 0.166 . 2 . . . . 110 L CD1 . 16424 1 921 . 1 1 91 91 LEU CD2 C 13 23.427 0.166 . 2 . . . . 110 L CD2 . 16424 1 922 . 1 1 91 91 LEU CG C 13 26.838 0.166 . 1 . . . . 110 L CG . 16424 1 923 . 1 1 91 91 LEU N N 15 121.686 0.116 . 1 . . . . 110 L N . 16424 1 924 . 1 1 92 92 SER H H 1 8.256 0.006 . 1 . . . . 111 S H . 16424 1 925 . 1 1 92 92 SER HA H 1 4.408 0.006 . 1 . . . . 111 S HA . 16424 1 926 . 1 1 92 92 SER HB2 H 1 3.868 0.006 . 2 . . . . 111 S HB2 . 16424 1 927 . 1 1 92 92 SER HB3 H 1 3.820 0.006 . 2 . . . . 111 S HB3 . 16424 1 928 . 1 1 92 92 SER C C 13 174.939 0.166 . 1 . . . . 111 S C . 16424 1 929 . 1 1 92 92 SER CA C 13 58.454 0.166 . 1 . . . . 111 S CA . 16424 1 930 . 1 1 92 92 SER CB C 13 63.950 0.166 . 1 . . . . 111 S CB . 16424 1 931 . 1 1 92 92 SER N N 15 116.238 0.116 . 1 . . . . 111 S N . 16424 1 932 . 1 1 93 93 GLY H H 1 8.402 0.006 . 1 . . . . 112 G H . 16424 1 933 . 1 1 93 93 GLY C C 13 173.830 0.166 . 1 . . . . 112 G C . 16424 1 934 . 1 1 93 93 GLY CA C 13 45.451 0.166 . 1 . . . . 112 G CA . 16424 1 935 . 1 1 93 93 GLY N N 15 110.467 0.116 . 1 . . . . 112 G N . 16424 1 936 . 1 1 94 94 ASN H H 1 8.290 0.006 . 1 . . . . 113 N H . 16424 1 937 . 1 1 94 94 ASN HA H 1 4.731 0.006 . 1 . . . . 113 N HA . 16424 1 938 . 1 1 94 94 ASN HB2 H 1 2.834 0.006 . 2 . . . . 113 N HB2 . 16424 1 939 . 1 1 94 94 ASN HB3 H 1 2.656 0.006 . 2 . . . . 113 N HB3 . 16424 1 940 . 1 1 94 94 ASN C C 13 175.279 0.166 . 1 . . . . 113 N C . 16424 1 941 . 1 1 94 94 ASN CA C 13 53.253 0.166 . 1 . . . . 113 N CA . 16424 1 942 . 1 1 94 94 ASN CB C 13 38.810 0.166 . 1 . . . . 113 N CB . 16424 1 943 . 1 1 94 94 ASN N N 15 118.540 0.116 . 1 . . . . 113 N N . 16424 1 944 . 1 1 95 95 LEU H H 1 8.222 0.006 . 1 . . . . 114 L H . 16424 1 945 . 1 1 95 95 LEU HA H 1 4.254 0.006 . 1 . . . . 114 L HA . 16424 1 946 . 1 1 95 95 LEU HB2 H 1 1.578 0.006 . 2 . . . . 114 L HB2 . 16424 1 947 . 1 1 95 95 LEU HB3 H 1 1.501 0.006 . 2 . . . . 114 L HB3 . 16424 1 948 . 1 1 95 95 LEU HD11 H 1 0.865 0.006 . 2 . . . . 114 L QD1 . 16424 1 949 . 1 1 95 95 LEU HD12 H 1 0.865 0.006 . 2 . . . . 114 L QD1 . 16424 1 950 . 1 1 95 95 LEU HD13 H 1 0.865 0.006 . 2 . . . . 114 L QD1 . 16424 1 951 . 1 1 95 95 LEU HD21 H 1 0.786 0.006 . 2 . . . . 114 L QD2 . 16424 1 952 . 1 1 95 95 LEU HD22 H 1 0.786 0.006 . 2 . . . . 114 L QD2 . 16424 1 953 . 1 1 95 95 LEU HD23 H 1 0.786 0.006 . 2 . . . . 114 L QD2 . 16424 1 954 . 1 1 95 95 LEU HG H 1 1.566 0.006 . 1 . . . . 114 L HG . 16424 1 955 . 1 1 95 95 LEU C C 13 177.337 0.166 . 1 . . . . 114 L C . 16424 1 956 . 1 1 95 95 LEU CA C 13 55.412 0.166 . 1 . . . . 114 L CA . 16424 1 957 . 1 1 95 95 LEU CB C 13 42.184 0.166 . 1 . . . . 114 L CB . 16424 1 958 . 1 1 95 95 LEU CD1 C 13 25.039 0.166 . 2 . . . . 114 L CD1 . 16424 1 959 . 1 1 95 95 LEU CD2 C 13 23.324 0.166 . 2 . . . . 114 L CD2 . 16424 1 960 . 1 1 95 95 LEU CG C 13 26.838 0.166 . 1 . . . . 114 L CG . 16424 1 961 . 1 1 95 95 LEU N N 15 122.232 0.116 . 1 . . . . 114 L N . 16424 1 962 . 1 1 96 96 GLU H H 1 8.274 0.006 . 1 . . . . 115 E H . 16424 1 963 . 1 1 96 96 GLU HA H 1 4.145 0.006 . 1 . . . . 115 E HA . 16424 1 964 . 1 1 96 96 GLU HB2 H 1 1.893 0.006 . 2 . . . . 115 E HB2 . 16424 1 965 . 1 1 96 96 GLU HB3 H 1 1.833 0.006 . 2 . . . . 115 E HB3 . 16424 1 966 . 1 1 96 96 GLU HG2 H 1 2.173 0.006 . 2 . . . . 115 E HG2 . 16424 1 967 . 1 1 96 96 GLU HG3 H 1 2.105 0.006 . 2 . . . . 115 E HG3 . 16424 1 968 . 1 1 96 96 GLU C C 13 176.266 0.166 . 1 . . . . 115 E C . 16424 1 969 . 1 1 96 96 GLU CA C 13 56.802 0.166 . 1 . . . . 115 E CA . 16424 1 970 . 1 1 96 96 GLU CB C 13 30.232 0.166 . 1 . . . . 115 E CB . 16424 1 971 . 1 1 96 96 GLU CG C 13 36.221 0.166 . 1 . . . . 115 E CG . 16424 1 972 . 1 1 96 96 GLU N N 15 120.680 0.116 . 1 . . . . 115 E N . 16424 1 stop_ save_