data_17431 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17431 _Entry.Title ; Solution structure of the E. coli outer membrane protein RcsF (periplasmatic domain) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-27 _Entry.Accession_date 2011-01-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of periplasmatic domain of the E. coli outer membrane protein RcsF (residues 30-134)' _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 Vladimir Rogov . V. . 17431 2 Volker Doetsch . . . 17431 3 Natalia Rogova . Y. . 17431 4 Frank Bernhard . . . 17431 5 Frank Loehr . . . 17431 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17431 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'disulphide bridges' . 17431 'exopolysaccharide biosynthesis' . 17431 RcsF . 17431 'rcs signalling system' . 17431 'two component system' . 17431 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17431 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 17431 '15N chemical shifts' 86 17431 '1H chemical shifts' 612 17431 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 . . 2011-05-24 2011-01-27 update BMRB 'update entry citation' 17431 1 . . 2011-04-08 2011-01-27 original author 'original release' 17431 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8Y 'BMRB Entry Tracking System' 17431 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17431 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21471196 _Citation.Full_citation . _Citation.Title 'A Disulfide Bridge Network within the Soluble Periplasmic Domain Determines Structure and Function of the Outer Membrane Protein RCSF.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 21 _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 18775 _Citation.Page_last 18783 _Citation.Year 2011 _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 Vladimir Rogov . V. . 17431 1 2 'Natalia Yu' Rogova . . . 17431 1 3 Frank Bernhard . . . 17431 1 4 Frank Lohr . . . 17431 1 5 Volker Dotsch . . . 17431 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17431 _Assembly.ID 1 _Assembly.Name 'outer membrane protein RcsF' _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 RcsF 1 $RcsF A . yes native no no . . . 17431 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 RcsF 1 CYS 45 45 SG . 1 RcsF 1 CYS 89 89 SG . . 74 CYS SG . . 118 CYS SG 17431 1 2 disulfide single . 1 RcsF 1 CYS 80 80 SG . 1 RcsF 1 CYS 95 95 SG . . 109 CYS SG . . 124 CYS SG 17431 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RcsF _Entity.Sf_category entity _Entity.Sf_framecode RcsF _Entity.Entry_ID 17431 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RcsF _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 ; MAPQPKAEPAKPKAPRATPV RIYTNAEELVGKPFRDLGEV SGDSCQASNQDSPPSIPTAR KRMQINASKMKANAVLLHSC EVTSGTPGCYRQAVCIGSAL NITAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1 represent a non-native cloning artefact' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11121.772 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L8Y . "Solution Structure Of The E. Coli Outer Membrane Protein Rcsf (Periplasmatic Domain)" . . . . . 100.00 105 100.00 100.00 1.91e-69 . . . . 17431 1 2 no PDB 2Y1B . "Crystal Structure Of The E. Coli Outer Membrane Lipoprotein Rcsf" . . . . . 99.05 128 100.00 100.00 9.32e-69 . . . . 17431 1 3 no DBJ BAA03656 . "ORF134 [Escherichia coli W3110]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 4 no DBJ BAA77873 . "predicted outer membrane protein, signal [Escherichia coli str. K12 substr. W3110]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 5 no DBJ BAB33621 . "regulator in colanic acid synthesis RcsF [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.05 134 99.04 100.00 7.43e-68 . . . . 17431 1 6 no DBJ BAG75722 . "exopolysaccharide synthesis regulator [Escherichia coli SE11]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 7 no DBJ BAI23558 . "predicted outer membrane protein RcsF [Escherichia coli O26:H11 str. 11368]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 8 no EMBL CAP74766 . "Protein rcsF [Escherichia coli LF82]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 9 no EMBL CAQ30711 . "RcsF--phosphorelay glucose and zinc sensor [Escherichia coli BL21(DE3)]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 10 no EMBL CAQ87800 . "conserved hypothetical protein; putative outer membrane protein, signal [Escherichia fergusonii ATCC 35469]" . . . . . 99.05 134 99.04 99.04 1.82e-67 . . . . 17431 1 11 no EMBL CAQ97085 . "conserved hypothetical protein; putative outer membrane protein, signal [Escherichia coli IAI1]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 12 no EMBL CAR01572 . "conserved hypothetical protein; putative outer membrane protein, signal [Escherichia coli S88]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 13 no GB AAA24508 . "rcsF [Escherichia coli]" . . . . . 99.05 133 97.12 98.08 2.88e-64 . . . . 17431 1 14 no GB AAB08624 . "exopolysaccharide synthesis regulator [Escherichia coli]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 15 no GB AAC73307 . "putative outer membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 16 no GB AAG54498 . "regulator in colanic acid synthesis; interacts with RcsB [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.05 134 99.04 100.00 7.43e-68 . . . . 17431 1 17 no GB AAN41849 . "exopolysaccharide synthesis regulator [Shigella flexneri 2a str. 301]" . . . . . 99.05 134 99.04 100.00 1.37e-67 . . . . 17431 1 18 no REF NP_308225 . "outer membrane lipoprotein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.05 134 99.04 100.00 7.43e-68 . . . . 17431 1 19 no REF NP_414738 . "putative outer membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 20 no REF NP_706142 . "outer membrane lipoprotein [Shigella flexneri 2a str. 301]" . . . . . 99.05 134 99.04 100.00 1.37e-67 . . . . 17431 1 21 no REF WP_001202318 . "MULTISPECIES: hypothetical protein [Escherichia]" . . . . . 99.05 134 100.00 100.00 2.73e-68 . . . . 17431 1 22 no REF WP_001202319 . "MULTISPECIES: hypothetical protein [Escherichia]" . . . . . 99.05 134 100.00 100.00 1.88e-68 . . . . 17431 1 23 no SP P69411 . "RecName: Full=Outer membrane lipoprotein RcsF; Flags: Precursor" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 1 24 no SP P69412 . "RecName: Full=Outer membrane lipoprotein RcsF; Flags: Precursor" . . . . . 99.05 134 100.00 100.00 2.94e-68 . . . . 17431 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 30 MET . 17431 1 2 31 ALA . 17431 1 3 32 PRO . 17431 1 4 33 GLN . 17431 1 5 34 PRO . 17431 1 6 35 LYS . 17431 1 7 36 ALA . 17431 1 8 37 GLU . 17431 1 9 38 PRO . 17431 1 10 39 ALA . 17431 1 11 40 LYS . 17431 1 12 41 PRO . 17431 1 13 42 LYS . 17431 1 14 43 ALA . 17431 1 15 44 PRO . 17431 1 16 45 ARG . 17431 1 17 46 ALA . 17431 1 18 47 THR . 17431 1 19 48 PRO . 17431 1 20 49 VAL . 17431 1 21 50 ARG . 17431 1 22 51 ILE . 17431 1 23 52 TYR . 17431 1 24 53 THR . 17431 1 25 54 ASN . 17431 1 26 55 ALA . 17431 1 27 56 GLU . 17431 1 28 57 GLU . 17431 1 29 58 LEU . 17431 1 30 59 VAL . 17431 1 31 60 GLY . 17431 1 32 61 LYS . 17431 1 33 62 PRO . 17431 1 34 63 PHE . 17431 1 35 64 ARG . 17431 1 36 65 ASP . 17431 1 37 66 LEU . 17431 1 38 67 GLY . 17431 1 39 68 GLU . 17431 1 40 69 VAL . 17431 1 41 70 SER . 17431 1 42 71 GLY . 17431 1 43 72 ASP . 17431 1 44 73 SER . 17431 1 45 74 CYS . 17431 1 46 75 GLN . 17431 1 47 76 ALA . 17431 1 48 77 SER . 17431 1 49 78 ASN . 17431 1 50 79 GLN . 17431 1 51 80 ASP . 17431 1 52 81 SER . 17431 1 53 82 PRO . 17431 1 54 83 PRO . 17431 1 55 84 SER . 17431 1 56 85 ILE . 17431 1 57 86 PRO . 17431 1 58 87 THR . 17431 1 59 88 ALA . 17431 1 60 89 ARG . 17431 1 61 90 LYS . 17431 1 62 91 ARG . 17431 1 63 92 MET . 17431 1 64 93 GLN . 17431 1 65 94 ILE . 17431 1 66 95 ASN . 17431 1 67 96 ALA . 17431 1 68 97 SER . 17431 1 69 98 LYS . 17431 1 70 99 MET . 17431 1 71 100 LYS . 17431 1 72 101 ALA . 17431 1 73 102 ASN . 17431 1 74 103 ALA . 17431 1 75 104 VAL . 17431 1 76 105 LEU . 17431 1 77 106 LEU . 17431 1 78 107 HIS . 17431 1 79 108 SER . 17431 1 80 109 CYS . 17431 1 81 110 GLU . 17431 1 82 111 VAL . 17431 1 83 112 THR . 17431 1 84 113 SER . 17431 1 85 114 GLY . 17431 1 86 115 THR . 17431 1 87 116 PRO . 17431 1 88 117 GLY . 17431 1 89 118 CYS . 17431 1 90 119 TYR . 17431 1 91 120 ARG . 17431 1 92 121 GLN . 17431 1 93 122 ALA . 17431 1 94 123 VAL . 17431 1 95 124 CYS . 17431 1 96 125 ILE . 17431 1 97 126 GLY . 17431 1 98 127 SER . 17431 1 99 128 ALA . 17431 1 100 129 LEU . 17431 1 101 130 ASN . 17431 1 102 131 ILE . 17431 1 103 132 THR . 17431 1 104 133 ALA . 17431 1 105 134 LYS . 17431 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17431 1 . ALA 2 2 17431 1 . PRO 3 3 17431 1 . GLN 4 4 17431 1 . PRO 5 5 17431 1 . LYS 6 6 17431 1 . ALA 7 7 17431 1 . GLU 8 8 17431 1 . PRO 9 9 17431 1 . ALA 10 10 17431 1 . LYS 11 11 17431 1 . PRO 12 12 17431 1 . LYS 13 13 17431 1 . ALA 14 14 17431 1 . PRO 15 15 17431 1 . ARG 16 16 17431 1 . ALA 17 17 17431 1 . THR 18 18 17431 1 . PRO 19 19 17431 1 . VAL 20 20 17431 1 . ARG 21 21 17431 1 . ILE 22 22 17431 1 . TYR 23 23 17431 1 . THR 24 24 17431 1 . ASN 25 25 17431 1 . ALA 26 26 17431 1 . GLU 27 27 17431 1 . GLU 28 28 17431 1 . LEU 29 29 17431 1 . VAL 30 30 17431 1 . GLY 31 31 17431 1 . LYS 32 32 17431 1 . PRO 33 33 17431 1 . PHE 34 34 17431 1 . ARG 35 35 17431 1 . ASP 36 36 17431 1 . LEU 37 37 17431 1 . GLY 38 38 17431 1 . GLU 39 39 17431 1 . VAL 40 40 17431 1 . SER 41 41 17431 1 . GLY 42 42 17431 1 . ASP 43 43 17431 1 . SER 44 44 17431 1 . CYS 45 45 17431 1 . GLN 46 46 17431 1 . ALA 47 47 17431 1 . SER 48 48 17431 1 . ASN 49 49 17431 1 . GLN 50 50 17431 1 . ASP 51 51 17431 1 . SER 52 52 17431 1 . PRO 53 53 17431 1 . PRO 54 54 17431 1 . SER 55 55 17431 1 . ILE 56 56 17431 1 . PRO 57 57 17431 1 . THR 58 58 17431 1 . ALA 59 59 17431 1 . ARG 60 60 17431 1 . LYS 61 61 17431 1 . ARG 62 62 17431 1 . MET 63 63 17431 1 . GLN 64 64 17431 1 . ILE 65 65 17431 1 . ASN 66 66 17431 1 . ALA 67 67 17431 1 . SER 68 68 17431 1 . LYS 69 69 17431 1 . MET 70 70 17431 1 . LYS 71 71 17431 1 . ALA 72 72 17431 1 . ASN 73 73 17431 1 . ALA 74 74 17431 1 . VAL 75 75 17431 1 . LEU 76 76 17431 1 . LEU 77 77 17431 1 . HIS 78 78 17431 1 . SER 79 79 17431 1 . CYS 80 80 17431 1 . GLU 81 81 17431 1 . VAL 82 82 17431 1 . THR 83 83 17431 1 . SER 84 84 17431 1 . GLY 85 85 17431 1 . THR 86 86 17431 1 . PRO 87 87 17431 1 . GLY 88 88 17431 1 . CYS 89 89 17431 1 . TYR 90 90 17431 1 . ARG 91 91 17431 1 . GLN 92 92 17431 1 . ALA 93 93 17431 1 . VAL 94 94 17431 1 . CYS 95 95 17431 1 . ILE 96 96 17431 1 . GLY 97 97 17431 1 . SER 98 98 17431 1 . ALA 99 99 17431 1 . LEU 100 100 17431 1 . ASN 101 101 17431 1 . ILE 102 102 17431 1 . THR 103 103 17431 1 . ALA 104 104 17431 1 . LYS 105 105 17431 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 17431 _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 $RcsF . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . rcsF . . . . 17431 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 17431 _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 $RcsF . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli 'NEB T7 express' . . . . . . . . . . . . . . . p60m . . . 'Residues 31-134 of the E.coli RcsF were cloned' . . 17431 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17431 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RcsF(31-134) '[U-98% 13C; U-98% 15N]' . . 1 $RcsF . . 0.6 . . mM 0.05 . . . 17431 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17431 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17431 1 4 'protease inhibitors cocktail' 'natural abundance' . . . . . . 4.6 . . mM . . . . 17431 1 5 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 17431 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 17431 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.100 . M 17431 1 pH 7.0 . pH 17431 1 pressure 1 . atm 17431 1 temperature 298 . K 17431 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17431 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17431 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17431 1 processing 17431 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17431 _Software.ID 2 _Software.Name SPARKY _Software.Version 112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17431 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17431 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17431 _Software.ID 3 _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' . . 17431 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17431 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17431 _Software.ID 4 _Software.Name ARIA _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17431 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17431 4 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 17431 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17431 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17431 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17431 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17431 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 17431 1 2 spectrometer_2 Bruker Avance . 800 . . . 17431 1 3 spectrometer_3 Bruker Avance . 700 . . . 17431 1 4 spectrometer_4 Bruker Avance . 600 . . . 17431 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 17431 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17431 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17431 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17431 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17431 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17431 1 6 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17431 1 7 '3D H(CC)(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17431 1 8 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17431 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17431 1 10 '2D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17431 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17431 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 17431 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17431 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17431 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17431 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 17431 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17431 1 2 '2D 1H-13C HSQC aliphatic' . . . 17431 1 3 '2D 1H-13C HSQC aromatic' . . . 17431 1 4 '3D HNCACB' . . . 17431 1 5 '3D HNCO' . . . 17431 1 6 '3D (HCA)CO(CA)NH' . . . 17431 1 7 '3D H(CC)(CO)NH-TOCSY' . . . 17431 1 8 '3D (H)CC(CO)NH-TOCSY' . . . 17431 1 9 '3D 1H-13C NOESY aliphatic' . . . 17431 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 1 1 MET H H 1 6.71 0.03 . 1 . . . A 30 MET HN . 17431 1 2 . 1 1 1 1 MET HA H 1 4.71 0.03 . 1 . . . A 30 MET HA . 17431 1 3 . 1 1 1 1 MET HB2 H 1 2.26 0.03 . 2 . . . A 30 MET HB2 . 17431 1 4 . 1 1 1 1 MET HB3 H 1 2.06 0.03 . 2 . . . A 30 MET HB3 . 17431 1 5 . 1 1 1 1 MET HG2 H 1 2.87 0.03 . 2 . . . A 30 MET HG2 . 17431 1 6 . 1 1 1 1 MET HG3 H 1 1.84 0.03 . 2 . . . A 30 MET HG3 . 17431 1 7 . 1 1 1 1 MET C C 13 175.2 0.20 . 1 . . . A 30 MET C . 17431 1 8 . 1 1 1 1 MET CA C 13 55.2 0.20 . 1 . . . A 30 MET CA . 17431 1 9 . 1 1 1 1 MET CB C 13 33.1 0.20 . 1 . . . A 30 MET CB . 17431 1 10 . 1 1 1 1 MET CG C 13 32.0 0.20 . 1 . . . A 30 MET CG . 17431 1 11 . 1 1 1 1 MET N N 15 112.4 0.20 . 1 . . . A 30 MET N . 17431 1 12 . 1 1 2 2 ALA H H 1 8.28 0.03 . 1 . . . A 31 ALA H . 17431 1 13 . 1 1 2 2 ALA HA H 1 4.74 0.03 . 1 . . . A 31 ALA HA . 17431 1 14 . 1 1 2 2 ALA HB1 H 1 1.54 0.03 . 1 . . . A 31 ALA HB1 . 17431 1 15 . 1 1 2 2 ALA HB2 H 1 1.54 0.03 . 1 . . . A 31 ALA HB2 . 17431 1 16 . 1 1 2 2 ALA HB3 H 1 1.54 0.03 . 1 . . . A 31 ALA HB3 . 17431 1 17 . 1 1 2 2 ALA C C 13 176.7 0.20 . 1 . . . A 31 ALA C . 17431 1 18 . 1 1 2 2 ALA CA C 13 50.5 0.20 . 1 . . . A 31 ALA CA . 17431 1 19 . 1 1 2 2 ALA CB C 13 18.1 0.20 . 1 . . . A 31 ALA CB . 17431 1 20 . 1 1 2 2 ALA N N 15 125.0 0.20 . 1 . . . A 31 ALA N . 17431 1 21 . 1 1 3 3 PRO HA H 1 4.30 0.03 . 1 . . . A 32 PRO HA . 17431 1 22 . 1 1 3 3 PRO C C 13 175.2 0.20 . 1 . . . A 32 PRO C . 17431 1 23 . 1 1 3 3 PRO CA C 13 62.6 0.20 . 1 . . . A 32 PRO CA . 17431 1 24 . 1 1 4 4 GLN H H 1 8.47 0.03 . 1 . . . A 33 GLN H . 17431 1 25 . 1 1 4 4 GLN HA H 1 4.22 0.03 . 1 . . . A 33 GLN HA . 17431 1 26 . 1 1 4 4 GLN HB2 H 1 1.85 0.03 . 2 . . . A 33 GLN HB2 . 17431 1 27 . 1 1 4 4 GLN HB3 H 1 1.90 0.03 . 2 . . . A 33 GLN HB3 . 17431 1 28 . 1 1 4 4 GLN HG2 H 1 2.19 0.03 . 2 . . . A 33 GLN HG2 . 17431 1 29 . 1 1 4 4 GLN HG3 H 1 1.73 0.03 . 2 . . . A 33 GLN HG3 . 17431 1 30 . 1 1 4 4 GLN HE21 H 1 7.12 0.03 . 2 . . . A 33 GLN HE21 . 17431 1 31 . 1 1 4 4 GLN C C 13 176.0 0.20 . 1 . . . A 33 GLN C . 17431 1 32 . 1 1 4 4 GLN CA C 13 56.3 0.20 . 1 . . . A 33 GLN CA . 17431 1 33 . 1 1 4 4 GLN CB C 13 30.0 0.20 . 1 . . . A 33 GLN CB . 17431 1 34 . 1 1 4 4 GLN N N 15 121.2 0.20 . 1 . . . A 33 GLN N . 17431 1 35 . 1 1 5 5 PRO C C 13 175.2 0.20 . 1 . . . A 34 PRO C . 17431 1 36 . 1 1 5 5 PRO CB C 13 32.2 0.20 . 1 . . . A 34 PRO CB . 17431 1 37 . 1 1 5 5 PRO CG C 13 27.4 0.20 . 1 . . . A 34 PRO CG . 17431 1 38 . 1 1 5 5 PRO CD C 13 50.6 0.20 . 1 . . . A 34 PRO CD . 17431 1 39 . 1 1 6 6 LYS CA C 13 56.1 0.20 . 1 . . . A 35 LYS CA . 17431 1 40 . 1 1 6 6 LYS CB C 13 33.2 0.20 . 1 . . . A 35 LYS CB . 17431 1 41 . 1 1 6 6 LYS CG C 13 24.7 0.20 . 1 . . . A 35 LYS CG . 17431 1 42 . 1 1 6 6 LYS CE C 13 42.2 0.20 . 1 . . . A 35 LYS CE . 17431 1 43 . 1 1 7 7 ALA HA H 1 4.74 0.03 . 1 . . . A 36 ALA HA . 17431 1 44 . 1 1 7 7 ALA HB1 H 1 1.40 0.03 . 1 . . . A 36 ALA HB1 . 17431 1 45 . 1 1 7 7 ALA HB2 H 1 1.40 0.03 . 1 . . . A 36 ALA HB2 . 17431 1 46 . 1 1 7 7 ALA HB3 H 1 1.40 0.03 . 1 . . . A 36 ALA HB3 . 17431 1 47 . 1 1 7 7 ALA CA C 13 52.1 0.20 . 1 . . . A 36 ALA CA . 17431 1 48 . 1 1 7 7 ALA CB C 13 19.4 0.20 . 1 . . . A 36 ALA CB . 17431 1 49 . 1 1 8 8 GLU C C 13 178.9 0.20 . 1 . . . A 37 GLU C . 17431 1 50 . 1 1 8 8 GLU CA C 13 54.2 0.20 . 1 . . . A 37 GLU CA . 17431 1 51 . 1 1 8 8 GLU CB C 13 29.9 0.20 . 1 . . . A 37 GLU CB . 17431 1 52 . 1 1 9 9 PRO HA H 1 4.40 0.03 . 1 . . . A 38 PRO HA . 17431 1 53 . 1 1 9 9 PRO HB2 H 1 1.90 0.03 . 2 . . . A 38 PRO HB2 . 17431 1 54 . 1 1 9 9 PRO HB3 H 1 2.02 0.03 . 2 . . . A 38 PRO HB3 . 17431 1 55 . 1 1 9 9 PRO HG2 H 1 2.30 0.03 . 1 . . . A 38 PRO HG2 . 17431 1 56 . 1 1 9 9 PRO HG3 H 1 2.30 0.03 . 1 . . . A 38 PRO HG3 . 17431 1 57 . 1 1 9 9 PRO HD2 H 1 3.69 0.03 . 2 . . . A 38 PRO HD2 . 17431 1 58 . 1 1 9 9 PRO HD3 H 1 3.81 0.03 . 2 . . . A 38 PRO HD3 . 17431 1 59 . 1 1 9 9 PRO C C 13 175.2 0.20 . 1 . . . A 38 PRO C . 17431 1 60 . 1 1 9 9 PRO CA C 13 62.9 0.20 . 1 . . . A 38 PRO CA . 17431 1 61 . 1 1 9 9 PRO CB C 13 32.1 0.20 . 1 . . . A 38 PRO CB . 17431 1 62 . 1 1 9 9 PRO CG C 13 27.4 0.20 . 1 . . . A 38 PRO CG . 17431 1 63 . 1 1 9 9 PRO CD C 13 50.7 0.20 . 1 . . . A 38 PRO CD . 17431 1 64 . 1 1 10 10 ALA H H 1 8.38 0.03 . 1 . . . A 39 ALA H . 17431 1 65 . 1 1 10 10 ALA HA H 1 4.27 0.03 . 1 . . . A 39 ALA HA . 17431 1 66 . 1 1 10 10 ALA HB1 H 1 1.36 0.03 . 1 . . . A 39 ALA HB1 . 17431 1 67 . 1 1 10 10 ALA HB2 H 1 1.36 0.03 . 1 . . . A 39 ALA HB2 . 17431 1 68 . 1 1 10 10 ALA HB3 H 1 1.36 0.03 . 1 . . . A 39 ALA HB3 . 17431 1 69 . 1 1 10 10 ALA C C 13 177.6 0.20 . 1 . . . A 39 ALA C . 17431 1 70 . 1 1 10 10 ALA CA C 13 52.2 0.20 . 1 . . . A 39 ALA CA . 17431 1 71 . 1 1 10 10 ALA CB C 13 19.2 0.20 . 1 . . . A 39 ALA CB . 17431 1 72 . 1 1 10 10 ALA N N 15 124.5 0.20 . 1 . . . A 39 ALA N . 17431 1 73 . 1 1 11 11 LYS H H 1 8.29 0.03 . 1 . . . A 40 LYS H . 17431 1 74 . 1 1 11 11 LYS HA H 1 4.60 0.03 . 1 . . . A 40 LYS HA . 17431 1 75 . 1 1 11 11 LYS HB2 H 1 1.75 0.03 . 1 . . . A 40 LYS HB2 . 17431 1 76 . 1 1 11 11 LYS HB3 H 1 1.75 0.03 . 1 . . . A 40 LYS HB3 . 17431 1 77 . 1 1 11 11 LYS HG2 H 1 1.50 0.03 . 1 . . . A 40 LYS HG2 . 17431 1 78 . 1 1 11 11 LYS HG3 H 1 1.50 0.03 . 1 . . . A 40 LYS HG3 . 17431 1 79 . 1 1 11 11 LYS C C 13 174.6 0.20 . 1 . . . A 40 LYS C . 17431 1 80 . 1 1 11 11 LYS CA C 13 54.1 0.20 . 1 . . . A 40 LYS CA . 17431 1 81 . 1 1 11 11 LYS CB C 13 32.5 0.20 . 1 . . . A 40 LYS CB . 17431 1 82 . 1 1 11 11 LYS N N 15 122.3 0.20 . 1 . . . A 40 LYS N . 17431 1 83 . 1 1 13 13 LYS CA C 13 56.1 0.20 . 1 . . . A 42 LYS CA . 17431 1 84 . 1 1 13 13 LYS CB C 13 33.1 0.20 . 1 . . . A 42 LYS CB . 17431 1 85 . 1 1 13 13 LYS CG C 13 24.8 0.20 . 1 . . . A 42 LYS CG . 17431 1 86 . 1 1 13 13 LYS CD C 13 29.1 0.20 . 1 . . . A 42 LYS CD . 17431 1 87 . 1 1 13 13 LYS CE C 13 42.1 0.20 . 1 . . . A 42 LYS CE . 17431 1 88 . 1 1 14 14 ALA CA C 13 50.4 0.20 . 1 . . . A 43 ALA CA . 17431 1 89 . 1 1 14 14 ALA CB C 13 18.1 0.20 . 1 . . . A 43 ALA CB . 17431 1 90 . 1 1 18 18 THR HA H 1 4.55 0.03 . 1 . . . A 47 THR HA . 17431 1 91 . 1 1 18 18 THR HB H 1 4.13 0.03 . 1 . . . A 47 THR HB . 17431 1 92 . 1 1 18 18 THR HG21 H 1 1.24 0.03 . 1 . . . A 47 THR HG21 . 17431 1 93 . 1 1 18 18 THR HG22 H 1 1.24 0.03 . 1 . . . A 47 THR HG22 . 17431 1 94 . 1 1 18 18 THR HG23 H 1 1.24 0.03 . 1 . . . A 47 THR HG23 . 17431 1 95 . 1 1 18 18 THR CB C 13 69.9 0.20 . 1 . . . A 47 THR CB . 17431 1 96 . 1 1 18 18 THR CG2 C 13 21.4 0.20 . 1 . . . A 47 THR CG2 . 17431 1 97 . 1 1 19 19 PRO HA H 1 4.36 0.03 . 1 . . . A 48 PRO HA . 17431 1 98 . 1 1 19 19 PRO HB2 H 1 1.84 0.03 . 2 . . . A 48 PRO HB2 . 17431 1 99 . 1 1 19 19 PRO HB3 H 1 2.18 0.03 . 2 . . . A 48 PRO HB3 . 17431 1 100 . 1 1 19 19 PRO HG2 H 1 2.03 0.03 . 1 . . . A 48 PRO HG2 . 17431 1 101 . 1 1 19 19 PRO HG3 H 1 2.03 0.03 . 1 . . . A 48 PRO HG3 . 17431 1 102 . 1 1 19 19 PRO HD2 H 1 3.70 0.03 . 2 . . . A 48 PRO HD2 . 17431 1 103 . 1 1 19 19 PRO HD3 H 1 3.83 0.03 . 2 . . . A 48 PRO HD3 . 17431 1 104 . 1 1 19 19 PRO C C 13 176.5 0.20 . 1 . . . A 48 PRO C . 17431 1 105 . 1 1 19 19 PRO CA C 13 63.1 0.20 . 1 . . . A 48 PRO CA . 17431 1 106 . 1 1 19 19 PRO CB C 13 31.9 0.20 . 1 . . . A 48 PRO CB . 17431 1 107 . 1 1 19 19 PRO CG C 13 27.4 0.20 . 1 . . . A 48 PRO CG . 17431 1 108 . 1 1 19 19 PRO CD C 13 51.1 0.20 . 1 . . . A 48 PRO CD . 17431 1 109 . 1 1 20 20 VAL H H 1 8.09 0.03 . 1 . . . A 49 VAL H . 17431 1 110 . 1 1 20 20 VAL HA H 1 3.83 0.03 . 1 . . . A 49 VAL HA . 17431 1 111 . 1 1 20 20 VAL HB H 1 1.79 0.03 . 1 . . . A 49 VAL HB . 17431 1 112 . 1 1 20 20 VAL HG11 H 1 0.86 0.03 . 2 . . . A 49 VAL HG11 . 17431 1 113 . 1 1 20 20 VAL HG12 H 1 0.86 0.03 . 2 . . . A 49 VAL HG12 . 17431 1 114 . 1 1 20 20 VAL HG13 H 1 0.86 0.03 . 2 . . . A 49 VAL HG13 . 17431 1 115 . 1 1 20 20 VAL HG21 H 1 0.65 0.03 . 2 . . . A 49 VAL HG21 . 17431 1 116 . 1 1 20 20 VAL HG22 H 1 0.65 0.03 . 2 . . . A 49 VAL HG22 . 17431 1 117 . 1 1 20 20 VAL HG23 H 1 0.65 0.03 . 2 . . . A 49 VAL HG23 . 17431 1 118 . 1 1 20 20 VAL C C 13 175.0 0.20 . 1 . . . A 49 VAL C . 17431 1 119 . 1 1 20 20 VAL CA C 13 61.7 0.20 . 1 . . . A 49 VAL CA . 17431 1 120 . 1 1 20 20 VAL CB C 13 33.0 0.20 . 1 . . . A 49 VAL CB . 17431 1 121 . 1 1 20 20 VAL CG1 C 13 20.8 0.20 . 2 . . . A 49 VAL CG1 . 17431 1 122 . 1 1 20 20 VAL CG2 C 13 21.6 0.20 . 2 . . . A 49 VAL CG2 . 17431 1 123 . 1 1 20 20 VAL N N 15 121.6 0.20 . 1 . . . A 49 VAL N . 17431 1 124 . 1 1 21 21 ARG H H 1 7.58 0.03 . 1 . . . A 50 ARG H . 17431 1 125 . 1 1 21 21 ARG HA H 1 4.08 0.03 . 1 . . . A 50 ARG HA . 17431 1 126 . 1 1 21 21 ARG HB2 H 1 1.62 0.03 . 2 . . . A 50 ARG HB2 . 17431 1 127 . 1 1 21 21 ARG HB3 H 1 1.74 0.03 . 2 . . . A 50 ARG HB3 . 17431 1 128 . 1 1 21 21 ARG HG2 H 1 1.09 0.03 . 2 . . . A 50 ARG HG2 . 17431 1 129 . 1 1 21 21 ARG HG3 H 1 1.26 0.03 . 2 . . . A 50 ARG HG3 . 17431 1 130 . 1 1 21 21 ARG HD2 H 1 2.92 0.03 . 1 . . . A 50 ARG HD2 . 17431 1 131 . 1 1 21 21 ARG HD3 H 1 2.92 0.03 . 1 . . . A 50 ARG HD3 . 17431 1 132 . 1 1 21 21 ARG C C 13 174.7 0.20 . 1 . . . A 50 ARG C . 17431 1 133 . 1 1 21 21 ARG CA C 13 56.2 0.20 . 1 . . . A 50 ARG CA . 17431 1 134 . 1 1 21 21 ARG CB C 13 31.4 0.20 . 1 . . . A 50 ARG CB . 17431 1 135 . 1 1 21 21 ARG CG C 13 26.9 0.20 . 1 . . . A 50 ARG CG . 17431 1 136 . 1 1 21 21 ARG CD C 13 43.1 0.20 . 1 . . . A 50 ARG CD . 17431 1 137 . 1 1 21 21 ARG N N 15 128.6 0.20 . 1 . . . A 50 ARG N . 17431 1 138 . 1 1 22 22 ILE H H 1 8.48 0.03 . 1 . . . A 51 ILE H . 17431 1 139 . 1 1 22 22 ILE HA H 1 4.60 0.03 . 1 . . . A 51 ILE HA . 17431 1 140 . 1 1 22 22 ILE HB H 1 1.62 0.03 . 1 . . . A 51 ILE HB . 17431 1 141 . 1 1 22 22 ILE HG12 H 1 0.68 0.03 . 2 . . . A 51 ILE HG12 . 17431 1 142 . 1 1 22 22 ILE HG13 H 1 1.55 0.03 . 2 . . . A 51 ILE HG13 . 17431 1 143 . 1 1 22 22 ILE HG21 H 1 0.65 0.03 . 1 . . . A 51 ILE HG21 . 17431 1 144 . 1 1 22 22 ILE HG22 H 1 0.65 0.03 . 1 . . . A 51 ILE HG22 . 17431 1 145 . 1 1 22 22 ILE HG23 H 1 0.65 0.03 . 1 . . . A 51 ILE HG23 . 17431 1 146 . 1 1 22 22 ILE HD11 H 1 0.62 0.03 . 1 . . . A 51 ILE HD11 . 17431 1 147 . 1 1 22 22 ILE HD12 H 1 0.62 0.03 . 1 . . . A 51 ILE HD12 . 17431 1 148 . 1 1 22 22 ILE HD13 H 1 0.62 0.03 . 1 . . . A 51 ILE HD13 . 17431 1 149 . 1 1 22 22 ILE C C 13 176.0 0.20 . 1 . . . A 51 ILE C . 17431 1 150 . 1 1 22 22 ILE CA C 13 60.3 0.20 . 1 . . . A 51 ILE CA . 17431 1 151 . 1 1 22 22 ILE CB C 13 38.6 0.20 . 1 . . . A 51 ILE CB . 17431 1 152 . 1 1 22 22 ILE CG1 C 13 27.9 0.20 . 1 . . . A 51 ILE CG1 . 17431 1 153 . 1 1 22 22 ILE CG2 C 13 18.1 0.20 . 1 . . . A 51 ILE CG2 . 17431 1 154 . 1 1 22 22 ILE CD1 C 13 13.4 0.20 . 1 . . . A 51 ILE CD1 . 17431 1 155 . 1 1 22 22 ILE N N 15 124.4 0.20 . 1 . . . A 51 ILE N . 17431 1 156 . 1 1 23 23 TYR H H 1 9.40 0.03 . 1 . . . A 52 TYR H . 17431 1 157 . 1 1 23 23 TYR HA H 1 4.69 0.03 . 1 . . . A 52 TYR HA . 17431 1 158 . 1 1 23 23 TYR HB2 H 1 2.49 0.03 . 2 . . . A 52 TYR HB2 . 17431 1 159 . 1 1 23 23 TYR HB3 H 1 2.89 0.03 . 2 . . . A 52 TYR HB3 . 17431 1 160 . 1 1 23 23 TYR HD1 H 1 6.92 0.03 . 1 . . . A 52 TYR HD1 . 17431 1 161 . 1 1 23 23 TYR HD2 H 1 6.92 0.03 . 1 . . . A 52 TYR HD2 . 17431 1 162 . 1 1 23 23 TYR HE1 H 1 6.50 0.03 . 1 . . . A 52 TYR HE1 . 17431 1 163 . 1 1 23 23 TYR HE2 H 1 6.50 0.03 . 1 . . . A 52 TYR HE2 . 17431 1 164 . 1 1 23 23 TYR C C 13 175.4 0.20 . 1 . . . A 52 TYR C . 17431 1 165 . 1 1 23 23 TYR CA C 13 57.6 0.20 . 1 . . . A 52 TYR CA . 17431 1 166 . 1 1 23 23 TYR CB C 13 40.5 0.20 . 1 . . . A 52 TYR CB . 17431 1 167 . 1 1 23 23 TYR CD1 C 13 133.0 0.20 . 1 . . . A 52 TYR CD1 . 17431 1 168 . 1 1 23 23 TYR CD2 C 13 133.0 0.20 . 1 . . . A 52 TYR CD2 . 17431 1 169 . 1 1 23 23 TYR CE1 C 13 117.5 0.20 . 1 . . . A 52 TYR CE1 . 17431 1 170 . 1 1 23 23 TYR CE2 C 13 117.5 0.20 . 1 . . . A 52 TYR CE2 . 17431 1 171 . 1 1 23 23 TYR N N 15 128.9 0.20 . 1 . . . A 52 TYR N . 17431 1 172 . 1 1 24 24 THR H H 1 9.40 0.03 . 1 . . . A 53 THR H . 17431 1 173 . 1 1 24 24 THR HA H 1 4.59 0.03 . 1 . . . A 53 THR HA . 17431 1 174 . 1 1 24 24 THR HB H 1 4.41 0.03 . 1 . . . A 53 THR HB . 17431 1 175 . 1 1 24 24 THR HG21 H 1 1.13 0.03 . 1 . . . A 53 THR HG21 . 17431 1 176 . 1 1 24 24 THR HG22 H 1 1.13 0.03 . 1 . . . A 53 THR HG22 . 17431 1 177 . 1 1 24 24 THR HG23 H 1 1.13 0.03 . 1 . . . A 53 THR HG23 . 17431 1 178 . 1 1 24 24 THR C C 13 174.2 0.20 . 1 . . . A 53 THR C . 17431 1 179 . 1 1 24 24 THR CA C 13 62.0 0.20 . 1 . . . A 53 THR CA . 17431 1 180 . 1 1 24 24 THR CB C 13 69.8 0.20 . 1 . . . A 53 THR CB . 17431 1 181 . 1 1 24 24 THR CG2 C 13 21.9 0.20 . 1 . . . A 53 THR CG2 . 17431 1 182 . 1 1 24 24 THR N N 15 112.2 0.20 . 1 . . . A 53 THR N . 17431 1 183 . 1 1 25 25 ASN H H 1 7.96 0.03 . 1 . . . A 54 ASN H . 17431 1 184 . 1 1 25 25 ASN HA H 1 4.95 0.03 . 1 . . . A 54 ASN HA . 17431 1 185 . 1 1 25 25 ASN HB2 H 1 2.83 0.03 . 2 . . . A 54 ASN HB2 . 17431 1 186 . 1 1 25 25 ASN HB3 H 1 2.96 0.03 . 2 . . . A 54 ASN HB3 . 17431 1 187 . 1 1 25 25 ASN HD21 H 1 6.69 0.03 . 2 . . . A 54 ASN HD21 . 17431 1 188 . 1 1 25 25 ASN C C 13 175.1 0.20 . 1 . . . A 54 ASN C . 17431 1 189 . 1 1 25 25 ASN CA C 13 52.5 0.20 . 1 . . . A 54 ASN CA . 17431 1 190 . 1 1 25 25 ASN CB C 13 41.3 0.20 . 1 . . . A 54 ASN CB . 17431 1 191 . 1 1 25 25 ASN N N 15 119.6 0.20 . 1 . . . A 54 ASN N . 17431 1 192 . 1 1 26 26 ALA H H 1 9.25 0.03 . 1 . . . A 55 ALA H . 17431 1 193 . 1 1 26 26 ALA HA H 1 3.82 0.03 . 1 . . . A 55 ALA HA . 17431 1 194 . 1 1 26 26 ALA HB1 H 1 1.46 0.03 . 1 . . . A 55 ALA HB1 . 17431 1 195 . 1 1 26 26 ALA HB2 H 1 1.46 0.03 . 1 . . . A 55 ALA HB2 . 17431 1 196 . 1 1 26 26 ALA HB3 H 1 1.46 0.03 . 1 . . . A 55 ALA HB3 . 17431 1 197 . 1 1 26 26 ALA C C 13 180.0 0.20 . 1 . . . A 55 ALA C . 17431 1 198 . 1 1 26 26 ALA CA C 13 54.9 0.20 . 1 . . . A 55 ALA CA . 17431 1 199 . 1 1 26 26 ALA CB C 13 18.1 0.20 . 1 . . . A 55 ALA CB . 17431 1 200 . 1 1 26 26 ALA N N 15 127.2 0.20 . 1 . . . A 55 ALA N . 17431 1 201 . 1 1 27 27 GLU H H 1 8.89 0.03 . 1 . . . A 56 GLU H . 17431 1 202 . 1 1 27 27 GLU HA H 1 4.08 0.03 . 1 . . . A 56 GLU HA . 17431 1 203 . 1 1 27 27 GLU HB2 H 1 2.04 0.03 . 1 . . . A 56 GLU HB2 . 17431 1 204 . 1 1 27 27 GLU HB3 H 1 2.04 0.03 . 1 . . . A 56 GLU HB3 . 17431 1 205 . 1 1 27 27 GLU HG2 H 1 2.35 0.03 . 1 . . . A 56 GLU HG2 . 17431 1 206 . 1 1 27 27 GLU HG3 H 1 2.35 0.03 . 1 . . . A 56 GLU HG3 . 17431 1 207 . 1 1 27 27 GLU C C 13 179.1 0.20 . 1 . . . A 56 GLU C . 17431 1 208 . 1 1 27 27 GLU CA C 13 59.2 0.20 . 1 . . . A 56 GLU CA . 17431 1 209 . 1 1 27 27 GLU CB C 13 29.0 0.20 . 1 . . . A 56 GLU CB . 17431 1 210 . 1 1 27 27 GLU CG C 13 36.6 0.20 . 1 . . . A 56 GLU CG . 17431 1 211 . 1 1 27 27 GLU N N 15 119.4 0.20 . 1 . . . A 56 GLU N . 17431 1 212 . 1 1 28 28 GLU H H 1 7.85 0.03 . 1 . . . A 57 GLU H . 17431 1 213 . 1 1 28 28 GLU HA H 1 4.13 0.03 . 1 . . . A 57 GLU HA . 17431 1 214 . 1 1 28 28 GLU HB2 H 1 2.25 0.03 . 1 . . . A 57 GLU HB2 . 17431 1 215 . 1 1 28 28 GLU HB3 H 1 2.25 0.03 . 1 . . . A 57 GLU HB3 . 17431 1 216 . 1 1 28 28 GLU HG2 H 1 2.38 0.03 . 2 . . . A 57 GLU HG2 . 17431 1 217 . 1 1 28 28 GLU HG3 H 1 2.50 0.03 . 2 . . . A 57 GLU HG3 . 17431 1 218 . 1 1 28 28 GLU C C 13 177.0 0.20 . 1 . . . A 57 GLU C . 17431 1 219 . 1 1 28 28 GLU CA C 13 58.1 0.20 . 1 . . . A 57 GLU CA . 17431 1 220 . 1 1 28 28 GLU CB C 13 30.9 0.20 . 1 . . . A 57 GLU CB . 17431 1 221 . 1 1 28 28 GLU CG C 13 37.8 0.20 . 1 . . . A 57 GLU CG . 17431 1 222 . 1 1 28 28 GLU N N 15 117.0 0.20 . 1 . . . A 57 GLU N . 17431 1 223 . 1 1 29 29 LEU H H 1 7.40 0.03 . 1 . . . A 58 LEU H . 17431 1 224 . 1 1 29 29 LEU HA H 1 4.00 0.03 . 1 . . . A 58 LEU HA . 17431 1 225 . 1 1 29 29 LEU HB2 H 1 1.54 0.03 . 1 . . . A 58 LEU HB2 . 17431 1 226 . 1 1 29 29 LEU HB3 H 1 1.54 0.03 . 1 . . . A 58 LEU HB3 . 17431 1 227 . 1 1 29 29 LEU HG H 1 0.85 0.03 . 1 . . . A 58 LEU HG . 17431 1 228 . 1 1 29 29 LEU HD11 H 1 -0.22 0.03 . 2 . . . A 58 LEU HD11 . 17431 1 229 . 1 1 29 29 LEU HD12 H 1 -0.22 0.03 . 2 . . . A 58 LEU HD12 . 17431 1 230 . 1 1 29 29 LEU HD13 H 1 -0.22 0.03 . 2 . . . A 58 LEU HD13 . 17431 1 231 . 1 1 29 29 LEU HD21 H 1 0.12 0.03 . 2 . . . A 58 LEU HD21 . 17431 1 232 . 1 1 29 29 LEU HD22 H 1 0.12 0.03 . 2 . . . A 58 LEU HD22 . 17431 1 233 . 1 1 29 29 LEU HD23 H 1 0.12 0.03 . 2 . . . A 58 LEU HD23 . 17431 1 234 . 1 1 29 29 LEU C C 13 176.6 0.20 . 1 . . . A 58 LEU C . 17431 1 235 . 1 1 29 29 LEU CA C 13 54.2 0.20 . 1 . . . A 58 LEU CA . 17431 1 236 . 1 1 29 29 LEU CB C 13 42.2 0.20 . 1 . . . A 58 LEU CB . 17431 1 237 . 1 1 29 29 LEU CG C 13 26.9 0.20 . 1 . . . A 58 LEU CG . 17431 1 238 . 1 1 29 29 LEU CD1 C 13 22.3 0.20 . 2 . . . A 58 LEU CD1 . 17431 1 239 . 1 1 29 29 LEU CD2 C 13 25.7 0.20 . 2 . . . A 58 LEU CD2 . 17431 1 240 . 1 1 29 29 LEU N N 15 116.5 0.20 . 1 . . . A 58 LEU N . 17431 1 241 . 1 1 30 30 VAL H H 1 6.99 0.03 . 1 . . . A 59 VAL H . 17431 1 242 . 1 1 30 30 VAL HA H 1 3.76 0.03 . 1 . . . A 59 VAL HA . 17431 1 243 . 1 1 30 30 VAL HB H 1 2.05 0.03 . 1 . . . A 59 VAL HB . 17431 1 244 . 1 1 30 30 VAL HG11 H 1 0.97 0.03 . 2 . . . A 59 VAL HG11 . 17431 1 245 . 1 1 30 30 VAL HG12 H 1 0.97 0.03 . 2 . . . A 59 VAL HG12 . 17431 1 246 . 1 1 30 30 VAL HG13 H 1 0.97 0.03 . 2 . . . A 59 VAL HG13 . 17431 1 247 . 1 1 30 30 VAL HG21 H 1 1.10 0.03 . 2 . . . A 59 VAL HG21 . 17431 1 248 . 1 1 30 30 VAL HG22 H 1 1.10 0.03 . 2 . . . A 59 VAL HG22 . 17431 1 249 . 1 1 30 30 VAL HG23 H 1 1.10 0.03 . 2 . . . A 59 VAL HG23 . 17431 1 250 . 1 1 30 30 VAL C C 13 177.7 0.20 . 1 . . . A 59 VAL C . 17431 1 251 . 1 1 30 30 VAL CA C 13 65.0 0.20 . 1 . . . A 59 VAL CA . 17431 1 252 . 1 1 30 30 VAL CB C 13 31.6 0.20 . 1 . . . A 59 VAL CB . 17431 1 253 . 1 1 30 30 VAL CG1 C 13 20.8 0.20 . 2 . . . A 59 VAL CG1 . 17431 1 254 . 1 1 30 30 VAL CG2 C 13 22.4 0.20 . 2 . . . A 59 VAL CG2 . 17431 1 255 . 1 1 30 30 VAL N N 15 119.9 0.20 . 1 . . . A 59 VAL N . 17431 1 256 . 1 1 31 31 GLY H H 1 8.90 0.03 . 1 . . . A 60 GLY H . 17431 1 257 . 1 1 31 31 GLY HA2 H 1 3.75 0.03 . 1 . . . A 60 GLY HA2 . 17431 1 258 . 1 1 31 31 GLY HA3 H 1 4.20 0.03 . 2 . . . A 60 GLY HA3 . 17431 1 259 . 1 1 31 31 GLY C C 13 174.2 0.20 . 1 . . . A 60 GLY C . 17431 1 260 . 1 1 31 31 GLY CA C 13 45.2 0.20 . 1 . . . A 60 GLY CA . 17431 1 261 . 1 1 31 31 GLY N N 15 115.2 0.20 . 1 . . . A 60 GLY N . 17431 1 262 . 1 1 32 32 LYS H H 1 8.02 0.03 . 1 . . . A 61 LYS H . 17431 1 263 . 1 1 32 32 LYS HA H 1 4.84 0.03 . 1 . . . A 61 LYS HA . 17431 1 264 . 1 1 32 32 LYS HB2 H 1 1.62 0.03 . 2 . . . A 61 LYS HB2 . 17431 1 265 . 1 1 32 32 LYS HB3 H 1 1.98 0.03 . 2 . . . A 61 LYS HB3 . 17431 1 266 . 1 1 32 32 LYS HG2 H 1 1.33 0.03 . 2 . . . A 61 LYS HG2 . 17431 1 267 . 1 1 32 32 LYS HG3 H 1 1.34 0.03 . 2 . . . A 61 LYS HG3 . 17431 1 268 . 1 1 32 32 LYS HD2 H 1 1.54 0.03 . 2 . . . A 61 LYS HD2 . 17431 1 269 . 1 1 32 32 LYS HD3 H 1 1.65 0.03 . 2 . . . A 61 LYS HD3 . 17431 1 270 . 1 1 32 32 LYS C C 13 173.4 0.20 . 1 . . . A 61 LYS C . 17431 1 271 . 1 1 32 32 LYS CA C 13 53.1 0.20 . 1 . . . A 61 LYS CA . 17431 1 272 . 1 1 32 32 LYS CB C 13 32.8 0.20 . 1 . . . A 61 LYS CB . 17431 1 273 . 1 1 32 32 LYS CD C 13 29.5 0.20 . 1 . . . A 61 LYS CD . 17431 1 274 . 1 1 32 32 LYS N N 15 121.5 0.20 . 1 . . . A 61 LYS N . 17431 1 275 . 1 1 33 33 PRO HA H 1 4.46 0.03 . 1 . . . A 62 PRO HA . 17431 1 276 . 1 1 33 33 PRO HB2 H 1 1.92 0.03 . 2 . . . A 62 PRO HB2 . 17431 1 277 . 1 1 33 33 PRO HB3 H 1 2.14 0.03 . 2 . . . A 62 PRO HB3 . 17431 1 278 . 1 1 33 33 PRO HG2 H 1 1.91 0.03 . 2 . . . A 62 PRO HG2 . 17431 1 279 . 1 1 33 33 PRO HG3 H 1 2.17 0.03 . 2 . . . A 62 PRO HG3 . 17431 1 280 . 1 1 33 33 PRO HD2 H 1 3.75 0.03 . 2 . . . A 62 PRO HD2 . 17431 1 281 . 1 1 33 33 PRO HD3 H 1 3.83 0.03 . 2 . . . A 62 PRO HD3 . 17431 1 282 . 1 1 33 33 PRO C C 13 175.8 0.20 . 1 . . . A 62 PRO C . 17431 1 283 . 1 1 33 33 PRO CA C 13 62.6 0.20 . 1 . . . A 62 PRO CA . 17431 1 284 . 1 1 33 33 PRO CB C 13 31.4 0.20 . 1 . . . A 62 PRO CB . 17431 1 285 . 1 1 33 33 PRO CG C 13 27.6 0.20 . 1 . . . A 62 PRO CG . 17431 1 286 . 1 1 33 33 PRO CD C 13 50.4 0.20 . 1 . . . A 62 PRO CD . 17431 1 287 . 1 1 34 34 PHE H H 1 7.77 0.03 . 1 . . . A 63 PHE H . 17431 1 288 . 1 1 34 34 PHE HA H 1 5.57 0.03 . 1 . . . A 63 PHE HA . 17431 1 289 . 1 1 34 34 PHE HB2 H 1 2.63 0.03 . 2 . . . A 63 PHE HB2 . 17431 1 290 . 1 1 34 34 PHE HB3 H 1 3.02 0.03 . 2 . . . A 63 PHE HB3 . 17431 1 291 . 1 1 34 34 PHE HD1 H 1 7.05 0.03 . 1 . . . A 63 PHE HD1 . 17431 1 292 . 1 1 34 34 PHE HD2 H 1 7.05 0.03 . 1 . . . A 63 PHE HD2 . 17431 1 293 . 1 1 34 34 PHE HE1 H 1 7.27 0.03 . 1 . . . A 63 PHE HE1 . 17431 1 294 . 1 1 34 34 PHE HE2 H 1 7.27 0.03 . 1 . . . A 63 PHE HE2 . 17431 1 295 . 1 1 34 34 PHE HZ H 1 7.24 0.03 . 1 . . . A 63 PHE HZ . 17431 1 296 . 1 1 34 34 PHE C C 13 173.8 0.20 . 1 . . . A 63 PHE C . 17431 1 297 . 1 1 34 34 PHE CA C 13 55.8 0.20 . 1 . . . A 63 PHE CA . 17431 1 298 . 1 1 34 34 PHE CB C 13 43.0 0.20 . 1 . . . A 63 PHE CB . 17431 1 299 . 1 1 34 34 PHE CD1 C 13 133.1 0.20 . 1 . . . A 63 PHE CD1 . 17431 1 300 . 1 1 34 34 PHE CD2 C 13 133.1 0.20 . 1 . . . A 63 PHE CD2 . 17431 1 301 . 1 1 34 34 PHE CE1 C 13 131.5 0.20 . 1 . . . A 63 PHE CE1 . 17431 1 302 . 1 1 34 34 PHE CE2 C 13 131.5 0.20 . 1 . . . A 63 PHE CE2 . 17431 1 303 . 1 1 34 34 PHE CZ C 13 130.0 0.20 . 1 . . . A 63 PHE CZ . 17431 1 304 . 1 1 34 34 PHE N N 15 116.4 0.20 . 1 . . . A 63 PHE N . 17431 1 305 . 1 1 35 35 ARG H H 1 8.50 0.03 . 1 . . . A 64 ARG H . 17431 1 306 . 1 1 35 35 ARG HA H 1 4.62 0.03 . 1 . . . A 64 ARG HA . 17431 1 307 . 1 1 35 35 ARG HB2 H 1 1.75 0.03 . 2 . . . A 64 ARG HB2 . 17431 1 308 . 1 1 35 35 ARG HB3 H 1 1.84 0.03 . 2 . . . A 64 ARG HB3 . 17431 1 309 . 1 1 35 35 ARG HG2 H 1 1.70 0.03 . 2 . . . A 64 ARG HG2 . 17431 1 310 . 1 1 35 35 ARG HG3 H 1 1.60 0.03 . 2 . . . A 64 ARG HG3 . 17431 1 311 . 1 1 35 35 ARG HD2 H 1 3.22 0.03 . 2 . . . A 64 ARG HD2 . 17431 1 312 . 1 1 35 35 ARG HD3 H 1 3.23 0.03 . 2 . . . A 64 ARG HD3 . 17431 1 313 . 1 1 35 35 ARG C C 13 175.0 0.20 . 1 . . . A 64 ARG C . 17431 1 314 . 1 1 35 35 ARG CA C 13 54.4 0.20 . 1 . . . A 64 ARG CA . 17431 1 315 . 1 1 35 35 ARG CB C 13 33.0 0.20 . 1 . . . A 64 ARG CB . 17431 1 316 . 1 1 35 35 ARG CG C 13 27.4 0.20 . 1 . . . A 64 ARG CG . 17431 1 317 . 1 1 35 35 ARG CD C 13 43.4 0.20 . 1 . . . A 64 ARG CD . 17431 1 318 . 1 1 35 35 ARG N N 15 119.4 0.20 . 1 . . . A 64 ARG N . 17431 1 319 . 1 1 36 36 ASP H H 1 8.93 0.03 . 1 . . . A 65 ASP H . 17431 1 320 . 1 1 36 36 ASP HA H 1 4.89 0.03 . 1 . . . A 65 ASP HA . 17431 1 321 . 1 1 36 36 ASP HB2 H 1 2.56 0.03 . 2 . . . A 65 ASP HB2 . 17431 1 322 . 1 1 36 36 ASP HB3 H 1 2.97 0.03 . 2 . . . A 65 ASP HB3 . 17431 1 323 . 1 1 36 36 ASP C C 13 176.5 0.20 . 1 . . . A 65 ASP C . 17431 1 324 . 1 1 36 36 ASP CA C 13 54.0 0.20 . 1 . . . A 65 ASP CA . 17431 1 325 . 1 1 36 36 ASP CB C 13 41.7 0.20 . 1 . . . A 65 ASP CB . 17431 1 326 . 1 1 36 36 ASP N N 15 126.0 0.20 . 1 . . . A 65 ASP N . 17431 1 327 . 1 1 37 37 LEU H H 1 9.44 0.03 . 1 . . . A 66 LEU H . 17431 1 328 . 1 1 37 37 LEU HA H 1 4.42 0.03 . 1 . . . A 66 LEU HA . 17431 1 329 . 1 1 37 37 LEU HB2 H 1 1.54 0.03 . 2 . . . A 66 LEU HB2 . 17431 1 330 . 1 1 37 37 LEU HB3 H 1 1.68 0.03 . 2 . . . A 66 LEU HB3 . 17431 1 331 . 1 1 37 37 LEU HG H 1 1.64 0.03 . 1 . . . A 66 LEU HG . 17431 1 332 . 1 1 37 37 LEU HD11 H 1 0.82 0.03 . 2 . . . A 66 LEU HD11 . 17431 1 333 . 1 1 37 37 LEU HD12 H 1 0.82 0.03 . 2 . . . A 66 LEU HD12 . 17431 1 334 . 1 1 37 37 LEU HD13 H 1 0.82 0.03 . 2 . . . A 66 LEU HD13 . 17431 1 335 . 1 1 37 37 LEU HD21 H 1 0.80 0.03 . 2 . . . A 66 LEU HD21 . 17431 1 336 . 1 1 37 37 LEU HD22 H 1 0.80 0.03 . 2 . . . A 66 LEU HD22 . 17431 1 337 . 1 1 37 37 LEU HD23 H 1 0.80 0.03 . 2 . . . A 66 LEU HD23 . 17431 1 338 . 1 1 37 37 LEU C C 13 176.9 0.20 . 1 . . . A 66 LEU C . 17431 1 339 . 1 1 37 37 LEU CA C 13 54.6 0.20 . 1 . . . A 66 LEU CA . 17431 1 340 . 1 1 37 37 LEU CB C 13 42.3 0.20 . 1 . . . A 66 LEU CB . 17431 1 341 . 1 1 37 37 LEU CG C 13 27.1 0.20 . 1 . . . A 66 LEU CG . 17431 1 342 . 1 1 37 37 LEU CD1 C 13 22.4 0.20 . 2 . . . A 66 LEU CD1 . 17431 1 343 . 1 1 37 37 LEU CD2 C 13 25.9 0.20 . 2 . . . A 66 LEU CD2 . 17431 1 344 . 1 1 37 37 LEU N N 15 127.1 0.20 . 1 . . . A 66 LEU N . 17431 1 345 . 1 1 38 38 GLY H H 1 8.47 0.03 . 1 . . . A 67 GLY H . 17431 1 346 . 1 1 38 38 GLY HA2 H 1 3.83 0.03 . 1 . . . A 67 GLY HA2 . 17431 1 347 . 1 1 38 38 GLY HA3 H 1 4.54 0.03 . 2 . . . A 67 GLY HA3 . 17431 1 348 . 1 1 38 38 GLY C C 13 172.5 0.20 . 1 . . . A 67 GLY C . 17431 1 349 . 1 1 38 38 GLY CA C 13 43.8 0.20 . 1 . . . A 67 GLY CA . 17431 1 350 . 1 1 38 38 GLY N N 15 109.1 0.20 . 1 . . . A 67 GLY N . 17431 1 351 . 1 1 39 39 GLU H H 1 8.16 0.03 . 1 . . . A 68 GLU H . 17431 1 352 . 1 1 39 39 GLU HA H 1 4.78 0.03 . 1 . . . A 68 GLU HA . 17431 1 353 . 1 1 39 39 GLU HB2 H 1 1.93 0.03 . 2 . . . A 68 GLU HB2 . 17431 1 354 . 1 1 39 39 GLU HB3 H 1 2.02 0.03 . 2 . . . A 68 GLU HB3 . 17431 1 355 . 1 1 39 39 GLU HG2 H 1 2.17 0.03 . 2 . . . A 68 GLU HG2 . 17431 1 356 . 1 1 39 39 GLU HG3 H 1 2.34 0.03 . 2 . . . A 68 GLU HG3 . 17431 1 357 . 1 1 39 39 GLU C C 13 176.1 0.20 . 1 . . . A 68 GLU C . 17431 1 358 . 1 1 39 39 GLU CA C 13 57.3 0.20 . 1 . . . A 68 GLU CA . 17431 1 359 . 1 1 39 39 GLU CB C 13 31.6 0.20 . 1 . . . A 68 GLU CB . 17431 1 360 . 1 1 39 39 GLU CG C 13 37.7 0.20 . 1 . . . A 68 GLU CG . 17431 1 361 . 1 1 39 39 GLU N N 15 118.5 0.20 . 1 . . . A 68 GLU N . 17431 1 362 . 1 1 40 40 VAL H H 1 8.91 0.03 . 1 . . . A 69 VAL H . 17431 1 363 . 1 1 40 40 VAL HA H 1 4.63 0.03 . 1 . . . A 69 VAL HA . 17431 1 364 . 1 1 40 40 VAL HB H 1 2.01 0.03 . 1 . . . A 69 VAL HB . 17431 1 365 . 1 1 40 40 VAL HG11 H 1 0.68 0.03 . 2 . . . A 69 VAL HG11 . 17431 1 366 . 1 1 40 40 VAL HG12 H 1 0.68 0.03 . 2 . . . A 69 VAL HG12 . 17431 1 367 . 1 1 40 40 VAL HG13 H 1 0.68 0.03 . 2 . . . A 69 VAL HG13 . 17431 1 368 . 1 1 40 40 VAL HG21 H 1 0.94 0.03 . 2 . . . A 69 VAL HG21 . 17431 1 369 . 1 1 40 40 VAL HG22 H 1 0.94 0.03 . 2 . . . A 69 VAL HG22 . 17431 1 370 . 1 1 40 40 VAL HG23 H 1 0.94 0.03 . 2 . . . A 69 VAL HG23 . 17431 1 371 . 1 1 40 40 VAL C C 13 171.5 0.20 . 1 . . . A 69 VAL C . 17431 1 372 . 1 1 40 40 VAL CA C 13 59.6 0.20 . 1 . . . A 69 VAL CA . 17431 1 373 . 1 1 40 40 VAL CB C 13 35.2 0.20 . 1 . . . A 69 VAL CB . 17431 1 374 . 1 1 40 40 VAL CG1 C 13 20.4 0.20 . 2 . . . A 69 VAL CG1 . 17431 1 375 . 1 1 40 40 VAL CG2 C 13 22.4 0.20 . 2 . . . A 69 VAL CG2 . 17431 1 376 . 1 1 40 40 VAL N N 15 121.2 0.20 . 1 . . . A 69 VAL N . 17431 1 377 . 1 1 41 41 SER H H 1 8.32 0.03 . 1 . . . A 70 SER H . 17431 1 378 . 1 1 41 41 SER HA H 1 5.74 0.03 . 1 . . . A 70 SER HA . 17431 1 379 . 1 1 41 41 SER HB2 H 1 3.74 0.03 . 2 . . . A 70 SER HB2 . 17431 1 380 . 1 1 41 41 SER HB3 H 1 3.80 0.03 . 2 . . . A 70 SER HB3 . 17431 1 381 . 1 1 41 41 SER C C 13 173.2 0.20 . 1 . . . A 70 SER C . 17431 1 382 . 1 1 41 41 SER CA C 13 56.2 0.20 . 1 . . . A 70 SER CA . 17431 1 383 . 1 1 41 41 SER CB C 13 67.6 0.20 . 1 . . . A 70 SER CB . 17431 1 384 . 1 1 41 41 SER N N 15 118.1 0.20 . 1 . . . A 70 SER N . 17431 1 385 . 1 1 42 42 GLY H H 1 8.56 0.03 . 1 . . . A 71 GLY H . 17431 1 386 . 1 1 42 42 GLY HA2 H 1 3.98 0.03 . 1 . . . A 71 GLY HA2 . 17431 1 387 . 1 1 42 42 GLY HA3 H 1 4.36 0.03 . 2 . . . A 71 GLY HA3 . 17431 1 388 . 1 1 42 42 GLY C C 13 172.0 0.20 . 1 . . . A 71 GLY C . 17431 1 389 . 1 1 42 42 GLY CA C 13 45.1 0.20 . 1 . . . A 71 GLY CA . 17431 1 390 . 1 1 42 42 GLY N N 15 106.5 0.20 . 1 . . . A 71 GLY N . 17431 1 391 . 1 1 43 43 ASP H H 1 7.94 0.03 . 1 . . . A 72 ASP H . 17431 1 392 . 1 1 43 43 ASP HA H 1 5.86 0.03 . 1 . . . A 72 ASP HA . 17431 1 393 . 1 1 43 43 ASP HB2 H 1 2.65 0.03 . 1 . . . A 72 ASP HB2 . 17431 1 394 . 1 1 43 43 ASP HB3 H 1 2.65 0.03 . 1 . . . A 72 ASP HB3 . 17431 1 395 . 1 1 43 43 ASP C C 13 174.1 0.20 . 1 . . . A 72 ASP C . 17431 1 396 . 1 1 43 43 ASP CA C 13 52.6 0.20 . 1 . . . A 72 ASP CA . 17431 1 397 . 1 1 43 43 ASP CB C 13 46.1 0.20 . 1 . . . A 72 ASP CB . 17431 1 398 . 1 1 43 43 ASP N N 15 118.4 0.20 . 1 . . . A 72 ASP N . 17431 1 399 . 1 1 44 44 SER H H 1 8.52 0.03 . 1 . . . A 73 SER H . 17431 1 400 . 1 1 44 44 SER HA H 1 4.54 0.03 . 1 . . . A 73 SER HA . 17431 1 401 . 1 1 44 44 SER HB2 H 1 3.46 0.03 . 2 . . . A 73 SER HB2 . 17431 1 402 . 1 1 44 44 SER HB3 H 1 3.82 0.03 . 2 . . . A 73 SER HB3 . 17431 1 403 . 1 1 44 44 SER C C 13 173.1 0.20 . 1 . . . A 73 SER C . 17431 1 404 . 1 1 44 44 SER CA C 13 57.5 0.20 . 1 . . . A 73 SER CA . 17431 1 405 . 1 1 44 44 SER CB C 13 64.9 0.20 . 1 . . . A 73 SER CB . 17431 1 406 . 1 1 44 44 SER N N 15 111.7 0.20 . 1 . . . A 73 SER N . 17431 1 407 . 1 1 45 45 CYS HA H 1 4.88 0.03 . 1 . . . A 74 CYS HA . 17431 1 408 . 1 1 45 45 CYS HB2 H 1 3.17 0.03 . 2 . . . A 74 CYS HB2 . 17431 1 409 . 1 1 45 45 CYS HB3 H 1 3.30 0.03 . 2 . . . A 74 CYS HB3 . 17431 1 410 . 1 1 45 45 CYS C C 13 173.7 0.20 . 1 . . . A 74 CYS C . 17431 1 411 . 1 1 45 45 CYS CA C 13 55.3 0.20 . 1 . . . A 74 CYS CA . 17431 1 412 . 1 1 45 45 CYS CB C 13 45.1 0.20 . 1 . . . A 74 CYS CB . 17431 1 413 . 1 1 46 46 GLN H H 1 8.98 0.03 . 1 . . . A 75 GLN H . 17431 1 414 . 1 1 46 46 GLN HA H 1 4.72 0.03 . 1 . . . A 75 GLN HA . 17431 1 415 . 1 1 46 46 GLN HB2 H 1 1.61 0.03 . 2 . . . A 75 GLN HB2 . 17431 1 416 . 1 1 46 46 GLN HB3 H 1 2.48 0.03 . 2 . . . A 75 GLN HB3 . 17431 1 417 . 1 1 46 46 GLN HG2 H 1 2.05 0.03 . 2 . . . A 75 GLN HG2 . 17431 1 418 . 1 1 46 46 GLN HG3 H 1 2.22 0.03 . 2 . . . A 75 GLN HG3 . 17431 1 419 . 1 1 46 46 GLN C C 13 175.0 0.20 . 1 . . . A 75 GLN C . 17431 1 420 . 1 1 46 46 GLN CA C 13 54.2 0.20 . 1 . . . A 75 GLN CA . 17431 1 421 . 1 1 46 46 GLN CB C 13 28.5 0.20 . 1 . . . A 75 GLN CB . 17431 1 422 . 1 1 46 46 GLN CG C 13 34.0 0.20 . 1 . . . A 75 GLN CG . 17431 1 423 . 1 1 46 46 GLN N N 15 132.8 0.20 . 1 . . . A 75 GLN N . 17431 1 424 . 1 1 47 47 ALA H H 1 9.56 0.03 . 1 . . . A 76 ALA H . 17431 1 425 . 1 1 47 47 ALA HA H 1 4.50 0.03 . 1 . . . A 76 ALA HA . 17431 1 426 . 1 1 47 47 ALA HB1 H 1 1.56 0.03 . 1 . . . A 76 ALA HB1 . 17431 1 427 . 1 1 47 47 ALA HB2 H 1 1.56 0.03 . 1 . . . A 76 ALA HB2 . 17431 1 428 . 1 1 47 47 ALA HB3 H 1 1.56 0.03 . 1 . . . A 76 ALA HB3 . 17431 1 429 . 1 1 47 47 ALA C C 13 177.2 0.20 . 1 . . . A 76 ALA C . 17431 1 430 . 1 1 47 47 ALA CA C 13 56.7 0.20 . 1 . . . A 76 ALA CA . 17431 1 431 . 1 1 47 47 ALA CB C 13 18.6 0.20 . 1 . . . A 76 ALA CB . 17431 1 432 . 1 1 47 47 ALA N N 15 132.8 0.20 . 1 . . . A 76 ALA N . 17431 1 433 . 1 1 48 48 SER H H 1 8.36 0.03 . 1 . . . A 77 SER H . 17431 1 434 . 1 1 48 48 SER HA H 1 4.85 0.03 . 1 . . . A 77 SER HA . 17431 1 435 . 1 1 48 48 SER HB2 H 1 3.76 0.03 . 2 . . . A 77 SER HB2 . 17431 1 436 . 1 1 48 48 SER HB3 H 1 3.97 0.03 . 2 . . . A 77 SER HB3 . 17431 1 437 . 1 1 48 48 SER C C 13 174.6 0.20 . 1 . . . A 77 SER C . 17431 1 438 . 1 1 48 48 SER CA C 13 55.8 0.20 . 1 . . . A 77 SER CA . 17431 1 439 . 1 1 48 48 SER CB C 13 66.9 0.20 . 1 . . . A 77 SER CB . 17431 1 440 . 1 1 48 48 SER N N 15 111.3 0.20 . 1 . . . A 77 SER N . 17431 1 441 . 1 1 49 49 ASN H H 1 6.82 0.03 . 1 . . . A 78 ASN H . 17431 1 442 . 1 1 49 49 ASN HA H 1 3.67 0.03 . 1 . . . A 78 ASN HA . 17431 1 443 . 1 1 49 49 ASN HB2 H 1 1.51 0.03 . 2 . . . A 78 ASN HB2 . 17431 1 444 . 1 1 49 49 ASN HB3 H 1 2.41 0.03 . 2 . . . A 78 ASN HB3 . 17431 1 445 . 1 1 49 49 ASN HD21 H 1 6.82 0.03 . 2 . . . A 78 ASN HD21 . 17431 1 446 . 1 1 49 49 ASN HD22 H 1 6.68 0.03 . 2 . . . A 78 ASN HD22 . 17431 1 447 . 1 1 49 49 ASN C C 13 175.1 0.20 . 1 . . . A 78 ASN C . 17431 1 448 . 1 1 49 49 ASN CA C 13 55.2 0.20 . 1 . . . A 78 ASN CA . 17431 1 449 . 1 1 49 49 ASN CB C 13 36.3 0.20 . 1 . . . A 78 ASN CB . 17431 1 450 . 1 1 49 49 ASN ND2 N 15 109.5 0.20 . 1 . . . A 78 ASN ND2 . 17431 1 451 . 1 1 50 50 GLN H H 1 7.74 0.03 . 1 . . . A 79 GLN H . 17431 1 452 . 1 1 50 50 GLN HA H 1 4.28 0.03 . 1 . . . A 79 GLN HA . 17431 1 453 . 1 1 50 50 GLN HB2 H 1 1.77 0.03 . 2 . . . A 79 GLN HB2 . 17431 1 454 . 1 1 50 50 GLN HB3 H 1 2.18 0.03 . 2 . . . A 79 GLN HB3 . 17431 1 455 . 1 1 50 50 GLN HG2 H 1 2.28 0.03 . 1 . . . A 79 GLN HG2 . 17431 1 456 . 1 1 50 50 GLN HG3 H 1 2.28 0.03 . 1 . . . A 79 GLN HG3 . 17431 1 457 . 1 1 50 50 GLN HE21 H 1 6.70 0.03 . 2 . . . A 79 GLN HE21 . 17431 1 458 . 1 1 50 50 GLN HE22 H 1 6.81 0.03 . 2 . . . A 79 GLN HE22 . 17431 1 459 . 1 1 50 50 GLN C C 13 176.3 0.20 . 1 . . . A 79 GLN C . 17431 1 460 . 1 1 50 50 GLN CA C 13 55.8 0.20 . 1 . . . A 79 GLN CA . 17431 1 461 . 1 1 50 50 GLN CB C 13 29.5 0.20 . 1 . . . A 79 GLN CB . 17431 1 462 . 1 1 50 50 GLN CG C 13 34.0 0.20 . 1 . . . A 79 GLN CG . 17431 1 463 . 1 1 50 50 GLN N N 15 116.4 0.20 . 1 . . . A 79 GLN N . 17431 1 464 . 1 1 51 51 ASP H H 1 7.42 0.03 . 1 . . . A 80 ASP H . 17431 1 465 . 1 1 51 51 ASP HA H 1 4.83 0.03 . 1 . . . A 80 ASP HA . 17431 1 466 . 1 1 51 51 ASP HB2 H 1 2.91 0.03 . 2 . . . A 80 ASP HB2 . 17431 1 467 . 1 1 51 51 ASP HB3 H 1 3.14 0.03 . 2 . . . A 80 ASP HB3 . 17431 1 468 . 1 1 51 51 ASP C C 13 175.7 0.20 . 1 . . . A 80 ASP C . 17431 1 469 . 1 1 51 51 ASP CA C 13 54.1 0.20 . 1 . . . A 80 ASP CA . 17431 1 470 . 1 1 51 51 ASP CB C 13 43.6 0.20 . 1 . . . A 80 ASP CB . 17431 1 471 . 1 1 51 51 ASP N N 15 120.1 0.20 . 1 . . . A 80 ASP N . 17431 1 472 . 1 1 52 52 SER H H 1 8.63 0.03 . 1 . . . A 81 SER H . 17431 1 473 . 1 1 52 52 SER HA H 1 4.56 0.03 . 1 . . . A 81 SER HA . 17431 1 474 . 1 1 52 52 SER HB2 H 1 3.82 0.03 . 2 . . . A 81 SER HB2 . 17431 1 475 . 1 1 52 52 SER HB3 H 1 3.97 0.03 . 2 . . . A 81 SER HB3 . 17431 1 476 . 1 1 52 52 SER C C 13 171.7 0.20 . 1 . . . A 81 SER C . 17431 1 477 . 1 1 52 52 SER CA C 13 58.2 0.20 . 1 . . . A 81 SER CA . 17431 1 478 . 1 1 52 52 SER CB C 13 62.5 0.20 . 1 . . . A 81 SER CB . 17431 1 479 . 1 1 52 52 SER N N 15 117.3 0.20 . 1 . . . A 81 SER N . 17431 1 480 . 1 1 53 53 PRO HA H 1 4.21 0.03 . 1 . . . A 82 PRO HA . 17431 1 481 . 1 1 53 53 PRO HD2 H 1 3.80 0.03 . 2 . . . A 82 PRO HD2 . 17431 1 482 . 1 1 53 53 PRO HD3 H 1 3.65 0.03 . 2 . . . A 82 PRO HD3 . 17431 1 483 . 1 1 53 53 PRO CA C 13 64.6 0.20 . 1 . . . A 82 PRO CA . 17431 1 484 . 1 1 53 53 PRO CD C 13 50.6 0.20 . 1 . . . A 82 PRO CD . 17431 1 485 . 1 1 54 54 PRO HA H 1 4.22 0.03 . 1 . . . A 83 PRO HA . 17431 1 486 . 1 1 54 54 PRO HB2 H 1 1.70 0.03 . 2 . . . A 83 PRO HB2 . 17431 1 487 . 1 1 54 54 PRO HB3 H 1 2.18 0.03 . 2 . . . A 83 PRO HB3 . 17431 1 488 . 1 1 54 54 PRO HG2 H 1 1.73 0.03 . 2 . . . A 83 PRO HG2 . 17431 1 489 . 1 1 54 54 PRO HG3 H 1 1.84 0.03 . 2 . . . A 83 PRO HG3 . 17431 1 490 . 1 1 54 54 PRO HD2 H 1 3.44 0.03 . 2 . . . A 83 PRO HD2 . 17431 1 491 . 1 1 54 54 PRO HD3 H 1 4.06 0.03 . 2 . . . A 83 PRO HD3 . 17431 1 492 . 1 1 54 54 PRO C C 13 175.7 0.20 . 1 . . . A 83 PRO C . 17431 1 493 . 1 1 54 54 PRO CA C 13 62.6 0.20 . 1 . . . A 83 PRO CA . 17431 1 494 . 1 1 54 54 PRO CB C 13 32.8 0.20 . 1 . . . A 83 PRO CB . 17431 1 495 . 1 1 54 54 PRO CG C 13 27.4 0.20 . 1 . . . A 83 PRO CG . 17431 1 496 . 1 1 54 54 PRO CD C 13 49.2 0.20 . 1 . . . A 83 PRO CD . 17431 1 497 . 1 1 55 55 SER H H 1 8.47 0.03 . 1 . . . A 84 SER H . 17431 1 498 . 1 1 55 55 SER HA H 1 4.78 0.03 . 1 . . . A 84 SER HA . 17431 1 499 . 1 1 55 55 SER HB2 H 1 3.71 0.03 . 2 . . . A 84 SER HB2 . 17431 1 500 . 1 1 55 55 SER HB3 H 1 3.85 0.03 . 2 . . . A 84 SER HB3 . 17431 1 501 . 1 1 55 55 SER C C 13 176.0 0.20 . 1 . . . A 84 SER C . 17431 1 502 . 1 1 55 55 SER CA C 13 55.1 0.20 . 1 . . . A 84 SER CA . 17431 1 503 . 1 1 55 55 SER CB C 13 63.4 0.20 . 1 . . . A 84 SER CB . 17431 1 504 . 1 1 55 55 SER N N 15 114.6 0.20 . 1 . . . A 84 SER N . 17431 1 505 . 1 1 56 56 ILE H H 1 9.32 0.03 . 1 . . . A 85 ILE H . 17431 1 506 . 1 1 56 56 ILE HA H 1 3.75 0.03 . 1 . . . A 85 ILE HA . 17431 1 507 . 1 1 56 56 ILE HB H 1 2.07 0.03 . 1 . . . A 85 ILE HB . 17431 1 508 . 1 1 56 56 ILE HG12 H 1 0.84 0.03 . 2 . . . A 85 ILE HG12 . 17431 1 509 . 1 1 56 56 ILE HG13 H 1 1.59 0.03 . 2 . . . A 85 ILE HG13 . 17431 1 510 . 1 1 56 56 ILE HG21 H 1 0.84 0.03 . 1 . . . A 85 ILE HG21 . 17431 1 511 . 1 1 56 56 ILE HG22 H 1 0.84 0.03 . 1 . . . A 85 ILE HG22 . 17431 1 512 . 1 1 56 56 ILE HG23 H 1 0.84 0.03 . 1 . . . A 85 ILE HG23 . 17431 1 513 . 1 1 56 56 ILE HD11 H 1 0.77 0.03 . 1 . . . A 85 ILE HD11 . 17431 1 514 . 1 1 56 56 ILE HD12 H 1 0.77 0.03 . 1 . . . A 85 ILE HD12 . 17431 1 515 . 1 1 56 56 ILE HD13 H 1 0.77 0.03 . 1 . . . A 85 ILE HD13 . 17431 1 516 . 1 1 56 56 ILE C C 13 175.3 0.20 . 1 . . . A 85 ILE C . 17431 1 517 . 1 1 56 56 ILE CA C 13 66.7 0.20 . 1 . . . A 85 ILE CA . 17431 1 518 . 1 1 56 56 ILE CB C 13 34.9 0.20 . 1 . . . A 85 ILE CB . 17431 1 519 . 1 1 56 56 ILE CG1 C 13 30.7 0.20 . 1 . . . A 85 ILE CG1 . 17431 1 520 . 1 1 56 56 ILE CG2 C 13 17.7 0.20 . 1 . . . A 85 ILE CG2 . 17431 1 521 . 1 1 56 56 ILE CD1 C 13 12.5 0.20 . 1 . . . A 85 ILE CD1 . 17431 1 522 . 1 1 56 56 ILE N N 15 130.5 0.20 . 1 . . . A 85 ILE N . 17431 1 523 . 1 1 57 57 PRO HA H 1 4.08 0.03 . 1 . . . A 86 PRO HA . 17431 1 524 . 1 1 57 57 PRO HB2 H 1 1.70 0.03 . 2 . . . A 86 PRO HB2 . 17431 1 525 . 1 1 57 57 PRO HB3 H 1 2.31 0.03 . 2 . . . A 86 PRO HB3 . 17431 1 526 . 1 1 57 57 PRO HG2 H 1 1.89 0.03 . 2 . . . A 86 PRO HG2 . 17431 1 527 . 1 1 57 57 PRO HG3 H 1 2.13 0.03 . 2 . . . A 86 PRO HG3 . 17431 1 528 . 1 1 57 57 PRO HD2 H 1 3.65 0.03 . 2 . . . A 86 PRO HD2 . 17431 1 529 . 1 1 57 57 PRO HD3 H 1 3.99 0.03 . 2 . . . A 86 PRO HD3 . 17431 1 530 . 1 1 57 57 PRO C C 13 179.6 0.20 . 1 . . . A 86 PRO C . 17431 1 531 . 1 1 57 57 PRO CA C 13 66.8 0.20 . 1 . . . A 86 PRO CA . 17431 1 532 . 1 1 57 57 PRO CB C 13 31.2 0.20 . 1 . . . A 86 PRO CB . 17431 1 533 . 1 1 57 57 PRO CG C 13 28.3 0.20 . 1 . . . A 86 PRO CG . 17431 1 534 . 1 1 57 57 PRO CD C 13 49.6 0.20 . 1 . . . A 86 PRO CD . 17431 1 535 . 1 1 58 58 THR H H 1 7.96 0.03 . 1 . . . A 87 THR H . 17431 1 536 . 1 1 58 58 THR HA H 1 3.92 0.03 . 1 . . . A 87 THR HA . 17431 1 537 . 1 1 58 58 THR HB H 1 4.22 0.03 . 1 . . . A 87 THR HB . 17431 1 538 . 1 1 58 58 THR HG21 H 1 1.29 0.03 . 1 . . . A 87 THR HG21 . 17431 1 539 . 1 1 58 58 THR HG22 H 1 1.29 0.03 . 1 . . . A 87 THR HG22 . 17431 1 540 . 1 1 58 58 THR HG23 H 1 1.29 0.03 . 1 . . . A 87 THR HG23 . 17431 1 541 . 1 1 58 58 THR C C 13 175.3 0.20 . 1 . . . A 87 THR C . 17431 1 542 . 1 1 58 58 THR CA C 13 66.9 0.20 . 1 . . . A 87 THR CA . 17431 1 543 . 1 1 58 58 THR CB C 13 68.4 0.20 . 1 . . . A 87 THR CB . 17431 1 544 . 1 1 58 58 THR CG2 C 13 21.5 0.20 . 1 . . . A 87 THR CG2 . 17431 1 545 . 1 1 58 58 THR N N 15 116.3 0.20 . 1 . . . A 87 THR N . 17431 1 546 . 1 1 59 59 ALA H H 1 8.01 0.03 . 1 . . . A 88 ALA H . 17431 1 547 . 1 1 59 59 ALA HA H 1 3.74 0.03 . 1 . . . A 88 ALA HA . 17431 1 548 . 1 1 59 59 ALA HB1 H 1 1.31 0.03 . 1 . . . A 88 ALA HB1 . 17431 1 549 . 1 1 59 59 ALA HB2 H 1 1.31 0.03 . 1 . . . A 88 ALA HB2 . 17431 1 550 . 1 1 59 59 ALA HB3 H 1 1.31 0.03 . 1 . . . A 88 ALA HB3 . 17431 1 551 . 1 1 59 59 ALA C C 13 179.1 0.20 . 1 . . . A 88 ALA C . 17431 1 552 . 1 1 59 59 ALA CA C 13 56.0 0.20 . 1 . . . A 88 ALA CA . 17431 1 553 . 1 1 59 59 ALA CB C 13 17.9 0.20 . 1 . . . A 88 ALA CB . 17431 1 554 . 1 1 59 59 ALA N N 15 126.2 0.20 . 1 . . . A 88 ALA N . 17431 1 555 . 1 1 60 60 ARG H H 1 8.83 0.03 . 1 . . . A 89 ARG H . 17431 1 556 . 1 1 60 60 ARG HA H 1 3.60 0.03 . 1 . . . A 89 ARG HA . 17431 1 557 . 1 1 60 60 ARG HB2 H 1 1.82 0.03 . 2 . . . A 89 ARG HB2 . 17431 1 558 . 1 1 60 60 ARG HB3 H 1 1.91 0.03 . 2 . . . A 89 ARG HB3 . 17431 1 559 . 1 1 60 60 ARG HG2 H 1 1.37 0.03 . 2 . . . A 89 ARG HG2 . 17431 1 560 . 1 1 60 60 ARG HG3 H 1 1.59 0.03 . 2 . . . A 89 ARG HG3 . 17431 1 561 . 1 1 60 60 ARG HD2 H 1 3.06 0.03 . 2 . . . A 89 ARG HD2 . 17431 1 562 . 1 1 60 60 ARG HD3 H 1 3.14 0.03 . 2 . . . A 89 ARG HD3 . 17431 1 563 . 1 1 60 60 ARG C C 13 177.9 0.20 . 1 . . . A 89 ARG C . 17431 1 564 . 1 1 60 60 ARG CA C 13 60.5 0.20 . 1 . . . A 89 ARG CA . 17431 1 565 . 1 1 60 60 ARG CB C 13 31.1 0.20 . 1 . . . A 89 ARG CB . 17431 1 566 . 1 1 60 60 ARG CG C 13 29.2 0.20 . 1 . . . A 89 ARG CG . 17431 1 567 . 1 1 60 60 ARG CD C 13 44.1 0.20 . 1 . . . A 89 ARG CD . 17431 1 568 . 1 1 60 60 ARG N N 15 119.0 0.20 . 1 . . . A 89 ARG N . 17431 1 569 . 1 1 61 61 LYS H H 1 7.96 0.03 . 1 . . . A 90 LYS H . 17431 1 570 . 1 1 61 61 LYS HA H 1 4.46 0.03 . 1 . . . A 90 LYS HA . 17431 1 571 . 1 1 61 61 LYS HB2 H 1 1.95 0.03 . 2 . . . A 90 LYS HB2 . 17431 1 572 . 1 1 61 61 LYS HB3 H 1 2.02 0.03 . 2 . . . A 90 LYS HB3 . 17431 1 573 . 1 1 61 61 LYS HG2 H 1 1.48 0.03 . 2 . . . A 90 LYS HG2 . 17431 1 574 . 1 1 61 61 LYS HG3 H 1 1.56 0.03 . 2 . . . A 90 LYS HG3 . 17431 1 575 . 1 1 61 61 LYS HE2 H 1 2.94 0.03 . 1 . . . A 90 LYS HE2 . 17431 1 576 . 1 1 61 61 LYS HE3 H 1 2.94 0.03 . 1 . . . A 90 LYS HE3 . 17431 1 577 . 1 1 61 61 LYS C C 13 179.7 0.20 . 1 . . . A 90 LYS C . 17431 1 578 . 1 1 61 61 LYS CA C 13 58.8 0.20 . 1 . . . A 90 LYS CA . 17431 1 579 . 1 1 61 61 LYS CB C 13 32.1 0.20 . 1 . . . A 90 LYS CB . 17431 1 580 . 1 1 61 61 LYS CG C 13 25.0 0.20 . 1 . . . A 90 LYS CG . 17431 1 581 . 1 1 61 61 LYS CD C 13 29.2 0.20 . 1 . . . A 90 LYS CD . 17431 1 582 . 1 1 61 61 LYS CE C 13 42.0 0.20 . 1 . . . A 90 LYS CE . 17431 1 583 . 1 1 61 61 LYS N N 15 120.5 0.20 . 1 . . . A 90 LYS N . 17431 1 584 . 1 1 62 62 ARG H H 1 8.60 0.03 . 1 . . . A 91 ARG H . 17431 1 585 . 1 1 62 62 ARG HA H 1 3.99 0.03 . 1 . . . A 91 ARG HA . 17431 1 586 . 1 1 62 62 ARG HB2 H 1 1.90 0.03 . 2 . . . A 91 ARG HB2 . 17431 1 587 . 1 1 62 62 ARG HB3 H 1 2.07 0.03 . 2 . . . A 91 ARG HB3 . 17431 1 588 . 1 1 62 62 ARG HG2 H 1 1.81 0.03 . 2 . . . A 91 ARG HG2 . 17431 1 589 . 1 1 62 62 ARG HG3 H 1 1.97 0.03 . 2 . . . A 91 ARG HG3 . 17431 1 590 . 1 1 62 62 ARG HD2 H 1 3.34 0.03 . 1 . . . A 91 ARG HD2 . 17431 1 591 . 1 1 62 62 ARG HD3 H 1 3.34 0.03 . 1 . . . A 91 ARG HD3 . 17431 1 592 . 1 1 62 62 ARG C C 13 178.3 0.20 . 1 . . . A 91 ARG C . 17431 1 593 . 1 1 62 62 ARG CA C 13 59.8 0.20 . 1 . . . A 91 ARG CA . 17431 1 594 . 1 1 62 62 ARG CB C 13 29.3 0.20 . 1 . . . A 91 ARG CB . 17431 1 595 . 1 1 62 62 ARG CG C 13 28.5 0.20 . 1 . . . A 91 ARG CG . 17431 1 596 . 1 1 62 62 ARG CD C 13 43.6 0.20 . 1 . . . A 91 ARG CD . 17431 1 597 . 1 1 62 62 ARG N N 15 119.4 0.20 . 1 . . . A 91 ARG N . 17431 1 598 . 1 1 63 63 MET H H 1 8.14 0.03 . 1 . . . A 92 MET H . 17431 1 599 . 1 1 63 63 MET HA H 1 3.86 0.03 . 1 . . . A 92 MET HA . 17431 1 600 . 1 1 63 63 MET HB2 H 1 1.82 0.03 . 2 . . . A 92 MET HB2 . 17431 1 601 . 1 1 63 63 MET HB3 H 1 2.56 0.03 . 2 . . . A 92 MET HB3 . 17431 1 602 . 1 1 63 63 MET HG2 H 1 2.00 0.03 . 2 . . . A 92 MET HG2 . 17431 1 603 . 1 1 63 63 MET HG3 H 1 1.84 0.03 . 2 . . . A 92 MET HG3 . 17431 1 604 . 1 1 63 63 MET HE1 H 1 1.75 0.03 . 1 . . . A 92 MET HE1 . 17431 1 605 . 1 1 63 63 MET HE2 H 1 1.75 0.03 . 1 . . . A 92 MET HE2 . 17431 1 606 . 1 1 63 63 MET HE3 H 1 1.75 0.03 . 1 . . . A 92 MET HE3 . 17431 1 607 . 1 1 63 63 MET C C 13 177.7 0.20 . 1 . . . A 92 MET C . 17431 1 608 . 1 1 63 63 MET CA C 13 59.4 0.20 . 1 . . . A 92 MET CA . 17431 1 609 . 1 1 63 63 MET CB C 13 32.3 0.20 . 1 . . . A 92 MET CB . 17431 1 610 . 1 1 63 63 MET CG C 13 31.9 0.20 . 1 . . . A 92 MET CG . 17431 1 611 . 1 1 63 63 MET CE C 13 17.5 0.20 . 1 . . . A 92 MET CE . 17431 1 612 . 1 1 63 63 MET N N 15 121.3 0.20 . 1 . . . A 92 MET N . 17431 1 613 . 1 1 64 64 GLN H H 1 8.10 0.03 . 1 . . . A 93 GLN H . 17431 1 614 . 1 1 64 64 GLN HA H 1 3.60 0.03 . 1 . . . A 93 GLN HA . 17431 1 615 . 1 1 64 64 GLN HB2 H 1 2.23 0.03 . 2 . . . A 93 GLN HB2 . 17431 1 616 . 1 1 64 64 GLN HB3 H 1 2.54 0.03 . 2 . . . A 93 GLN HB3 . 17431 1 617 . 1 1 64 64 GLN HG2 H 1 1.98 0.03 . 2 . . . A 93 GLN HG2 . 17431 1 618 . 1 1 64 64 GLN HG3 H 1 2.40 0.03 . 2 . . . A 93 GLN HG3 . 17431 1 619 . 1 1 64 64 GLN HE21 H 1 7.12 0.03 . 2 . . . A 93 GLN HE21 . 17431 1 620 . 1 1 64 64 GLN C C 13 178.3 0.20 . 1 . . . A 93 GLN C . 17431 1 621 . 1 1 64 64 GLN CA C 13 60.6 0.20 . 1 . . . A 93 GLN CA . 17431 1 622 . 1 1 64 64 GLN CB C 13 30.1 0.20 . 1 . . . A 93 GLN CB . 17431 1 623 . 1 1 64 64 GLN CG C 13 35.7 0.20 . 1 . . . A 93 GLN CG . 17431 1 624 . 1 1 64 64 GLN N N 15 119.0 0.20 . 1 . . . A 93 GLN N . 17431 1 625 . 1 1 65 65 ILE H H 1 8.45 0.03 . 1 . . . A 94 ILE H . 17431 1 626 . 1 1 65 65 ILE HA H 1 3.69 0.03 . 1 . . . A 94 ILE HA . 17431 1 627 . 1 1 65 65 ILE HB H 1 1.95 0.03 . 1 . . . A 94 ILE HB . 17431 1 628 . 1 1 65 65 ILE HG12 H 1 1.16 0.03 . 2 . . . A 94 ILE HG12 . 17431 1 629 . 1 1 65 65 ILE HG13 H 1 1.74 0.03 . 2 . . . A 94 ILE HG13 . 17431 1 630 . 1 1 65 65 ILE HG21 H 1 0.92 0.03 . 1 . . . A 94 ILE HG21 . 17431 1 631 . 1 1 65 65 ILE HG22 H 1 0.92 0.03 . 1 . . . A 94 ILE HG22 . 17431 1 632 . 1 1 65 65 ILE HG23 H 1 0.92 0.03 . 1 . . . A 94 ILE HG23 . 17431 1 633 . 1 1 65 65 ILE HD11 H 1 0.84 0.03 . 1 . . . A 94 ILE HD11 . 17431 1 634 . 1 1 65 65 ILE HD12 H 1 0.84 0.03 . 1 . . . A 94 ILE HD12 . 17431 1 635 . 1 1 65 65 ILE HD13 H 1 0.84 0.03 . 1 . . . A 94 ILE HD13 . 17431 1 636 . 1 1 65 65 ILE C C 13 179.5 0.20 . 1 . . . A 94 ILE C . 17431 1 637 . 1 1 65 65 ILE CA C 13 64.9 0.20 . 1 . . . A 94 ILE CA . 17431 1 638 . 1 1 65 65 ILE CB C 13 38.0 0.20 . 1 . . . A 94 ILE CB . 17431 1 639 . 1 1 65 65 ILE CG1 C 13 29.1 0.20 . 1 . . . A 94 ILE CG1 . 17431 1 640 . 1 1 65 65 ILE CG2 C 13 17.2 0.20 . 1 . . . A 94 ILE CG2 . 17431 1 641 . 1 1 65 65 ILE CD1 C 13 13.1 0.20 . 1 . . . A 94 ILE CD1 . 17431 1 642 . 1 1 65 65 ILE N N 15 121.5 0.20 . 1 . . . A 94 ILE N . 17431 1 643 . 1 1 66 66 ASN H H 1 8.62 0.03 . 1 . . . A 95 ASN H . 17431 1 644 . 1 1 66 66 ASN HA H 1 4.53 0.03 . 1 . . . A 95 ASN HA . 17431 1 645 . 1 1 66 66 ASN HB2 H 1 2.80 0.03 . 2 . . . A 95 ASN HB2 . 17431 1 646 . 1 1 66 66 ASN HB3 H 1 2.88 0.03 . 2 . . . A 95 ASN HB3 . 17431 1 647 . 1 1 66 66 ASN HD21 H 1 6.90 0.03 . 2 . . . A 95 ASN HD21 . 17431 1 648 . 1 1 66 66 ASN HD22 H 1 8.05 0.03 . 2 . . . A 95 ASN HD22 . 17431 1 649 . 1 1 66 66 ASN C C 13 174.1 0.20 . 1 . . . A 95 ASN C . 17431 1 650 . 1 1 66 66 ASN CA C 13 55.9 0.20 . 1 . . . A 95 ASN CA . 17431 1 651 . 1 1 66 66 ASN CB C 13 37.0 0.20 . 1 . . . A 95 ASN CB . 17431 1 652 . 1 1 66 66 ASN N N 15 121.4 0.20 . 1 . . . A 95 ASN N . 17431 1 653 . 1 1 66 66 ASN ND2 N 15 111.5 0.20 . 1 . . . A 95 ASN ND2 . 17431 1 654 . 1 1 67 67 ALA H H 1 8.52 0.03 . 1 . . . A 96 ALA H . 17431 1 655 . 1 1 67 67 ALA HA H 1 4.09 0.03 . 1 . . . A 96 ALA HA . 17431 1 656 . 1 1 67 67 ALA HB1 H 1 1.37 0.03 . 1 . . . A 96 ALA HB1 . 17431 1 657 . 1 1 67 67 ALA HB2 H 1 1.37 0.03 . 1 . . . A 96 ALA HB2 . 17431 1 658 . 1 1 67 67 ALA HB3 H 1 1.37 0.03 . 1 . . . A 96 ALA HB3 . 17431 1 659 . 1 1 67 67 ALA C C 13 179.7 0.20 . 1 . . . A 96 ALA C . 17431 1 660 . 1 1 67 67 ALA CA C 13 54.9 0.20 . 1 . . . A 96 ALA CA . 17431 1 661 . 1 1 67 67 ALA CB C 13 17.6 0.20 . 1 . . . A 96 ALA CB . 17431 1 662 . 1 1 67 67 ALA N N 15 123.9 0.20 . 1 . . . A 96 ALA N . 17431 1 663 . 1 1 68 68 SER H H 1 8.30 0.03 . 1 . . . A 97 SER H . 17431 1 664 . 1 1 68 68 SER HA H 1 4.30 0.03 . 1 . . . A 97 SER HA . 17431 1 665 . 1 1 68 68 SER HB2 H 1 4.09 0.03 . 2 . . . A 97 SER HB2 . 17431 1 666 . 1 1 68 68 SER HB3 H 1 4.13 0.03 . 2 . . . A 97 SER HB3 . 17431 1 667 . 1 1 68 68 SER C C 13 178.9 0.20 . 1 . . . A 97 SER C . 17431 1 668 . 1 1 68 68 SER CA C 13 61.8 0.20 . 1 . . . A 97 SER CA . 17431 1 669 . 1 1 68 68 SER CB C 13 62.7 0.20 . 1 . . . A 97 SER CB . 17431 1 670 . 1 1 68 68 SER N N 15 116.6 0.20 . 1 . . . A 97 SER N . 17431 1 671 . 1 1 69 69 LYS H H 1 7.76 0.03 . 1 . . . A 98 LYS H . 17431 1 672 . 1 1 69 69 LYS HA H 1 4.21 0.03 . 1 . . . A 98 LYS HA . 17431 1 673 . 1 1 69 69 LYS HB2 H 1 2.04 0.03 . 2 . . . A 98 LYS HB2 . 17431 1 674 . 1 1 69 69 LYS HB3 H 1 2.05 0.03 . 2 . . . A 98 LYS HB3 . 17431 1 675 . 1 1 69 69 LYS HG2 H 1 1.75 0.03 . 2 . . . A 98 LYS HG2 . 17431 1 676 . 1 1 69 69 LYS HG3 H 1 1.54 0.03 . 2 . . . A 98 LYS HG3 . 17431 1 677 . 1 1 69 69 LYS HE2 H 1 2.98 0.03 . 1 . . . A 98 LYS HE2 . 17431 1 678 . 1 1 69 69 LYS HE3 H 1 2.98 0.03 . 1 . . . A 98 LYS HE3 . 17431 1 679 . 1 1 69 69 LYS C C 13 177.8 0.20 . 1 . . . A 98 LYS C . 17431 1 680 . 1 1 69 69 LYS CA C 13 59.1 0.20 . 1 . . . A 98 LYS CA . 17431 1 681 . 1 1 69 69 LYS CB C 13 32.3 0.20 . 1 . . . A 98 LYS CB . 17431 1 682 . 1 1 69 69 LYS CG C 13 25.7 0.20 . 1 . . . A 98 LYS CG . 17431 1 683 . 1 1 69 69 LYS CD C 13 29.5 0.20 . 1 . . . A 98 LYS CD . 17431 1 684 . 1 1 69 69 LYS CE C 13 42.3 0.20 . 1 . . . A 98 LYS CE . 17431 1 685 . 1 1 69 69 LYS N N 15 122.7 0.20 . 1 . . . A 98 LYS N . 17431 1 686 . 1 1 70 70 MET H H 1 7.37 0.03 . 1 . . . A 99 MET H . 17431 1 687 . 1 1 70 70 MET HA H 1 4.39 0.03 . 1 . . . A 99 MET HA . 17431 1 688 . 1 1 70 70 MET HB2 H 1 2.14 0.03 . 2 . . . A 99 MET HB2 . 17431 1 689 . 1 1 70 70 MET HB3 H 1 2.35 0.03 . 2 . . . A 99 MET HB3 . 17431 1 690 . 1 1 70 70 MET HG2 H 1 2.62 0.03 . 1 . . . A 99 MET HG2 . 17431 1 691 . 1 1 70 70 MET HG3 H 1 2.62 0.03 . 1 . . . A 99 MET HG3 . 17431 1 692 . 1 1 70 70 MET HE1 H 1 1.95 0.03 . 1 . . . A 99 MET HE1 . 17431 1 693 . 1 1 70 70 MET HE2 H 1 1.95 0.03 . 1 . . . A 99 MET HE2 . 17431 1 694 . 1 1 70 70 MET HE3 H 1 1.95 0.03 . 1 . . . A 99 MET HE3 . 17431 1 695 . 1 1 70 70 MET C C 13 174.2 0.20 . 1 . . . A 99 MET C . 17431 1 696 . 1 1 70 70 MET CA C 13 55.8 0.20 . 1 . . . A 99 MET CA . 17431 1 697 . 1 1 70 70 MET CB C 13 33.8 0.20 . 1 . . . A 99 MET CB . 17431 1 698 . 1 1 70 70 MET CG C 13 31.3 0.20 . 1 . . . A 99 MET CG . 17431 1 699 . 1 1 70 70 MET CE C 13 16.7 0.20 . 1 . . . A 99 MET CE . 17431 1 700 . 1 1 70 70 MET N N 15 117.3 0.20 . 1 . . . A 99 MET N . 17431 1 701 . 1 1 71 71 LYS H H 1 7.86 0.03 . 1 . . . A 100 LYS H . 17431 1 702 . 1 1 71 71 LYS HA H 1 3.89 0.03 . 1 . . . A 100 LYS HA . 17431 1 703 . 1 1 71 71 LYS HB2 H 1 2.00 0.03 . 2 . . . A 100 LYS HB2 . 17431 1 704 . 1 1 71 71 LYS HB3 H 1 2.24 0.03 . 2 . . . A 100 LYS HB3 . 17431 1 705 . 1 1 71 71 LYS HG2 H 1 1.37 0.03 . 1 . . . A 100 LYS HG2 . 17431 1 706 . 1 1 71 71 LYS HG3 H 1 1.37 0.03 . 1 . . . A 100 LYS HG3 . 17431 1 707 . 1 1 71 71 LYS HD2 H 1 1.51 0.03 . 1 . . . A 100 LYS HD2 . 17431 1 708 . 1 1 71 71 LYS HD3 H 1 1.51 0.03 . 1 . . . A 100 LYS HD3 . 17431 1 709 . 1 1 71 71 LYS HE2 H 1 3.06 0.03 . 2 . . . A 100 LYS HE2 . 17431 1 710 . 1 1 71 71 LYS HE3 H 1 3.07 0.03 . 2 . . . A 100 LYS HE3 . 17431 1 711 . 1 1 71 71 LYS C C 13 175.6 0.20 . 1 . . . A 100 LYS C . 17431 1 712 . 1 1 71 71 LYS CA C 13 57.5 0.20 . 1 . . . A 100 LYS CA . 17431 1 713 . 1 1 71 71 LYS CB C 13 28.1 0.20 . 1 . . . A 100 LYS CB . 17431 1 714 . 1 1 71 71 LYS CG C 13 25.2 0.20 . 1 . . . A 100 LYS CG . 17431 1 715 . 1 1 71 71 LYS CD C 13 29.0 0.20 . 1 . . . A 100 LYS CD . 17431 1 716 . 1 1 71 71 LYS CE C 13 42.4 0.20 . 1 . . . A 100 LYS CE . 17431 1 717 . 1 1 71 71 LYS N N 15 110.5 0.20 . 1 . . . A 100 LYS N . 17431 1 718 . 1 1 72 72 ALA H H 1 7.49 0.03 . 1 . . . A 101 ALA H . 17431 1 719 . 1 1 72 72 ALA HA H 1 4.24 0.03 . 1 . . . A 101 ALA HA . 17431 1 720 . 1 1 72 72 ALA HB1 H 1 1.53 0.03 . 1 . . . A 101 ALA HB1 . 17431 1 721 . 1 1 72 72 ALA HB2 H 1 1.53 0.03 . 1 . . . A 101 ALA HB2 . 17431 1 722 . 1 1 72 72 ALA HB3 H 1 1.53 0.03 . 1 . . . A 101 ALA HB3 . 17431 1 723 . 1 1 72 72 ALA C C 13 176.8 0.20 . 1 . . . A 101 ALA C . 17431 1 724 . 1 1 72 72 ALA CA C 13 51.7 0.20 . 1 . . . A 101 ALA CA . 17431 1 725 . 1 1 72 72 ALA CB C 13 22.4 0.20 . 1 . . . A 101 ALA CB . 17431 1 726 . 1 1 72 72 ALA N N 15 120.4 0.20 . 1 . . . A 101 ALA N . 17431 1 727 . 1 1 73 73 ASN H H 1 8.69 0.03 . 1 . . . A 102 ASN H . 17431 1 728 . 1 1 73 73 ASN HA H 1 4.89 0.03 . 1 . . . A 102 ASN HA . 17431 1 729 . 1 1 73 73 ASN HB2 H 1 2.86 0.03 . 2 . . . A 102 ASN HB2 . 17431 1 730 . 1 1 73 73 ASN HB3 H 1 3.35 0.03 . 2 . . . A 102 ASN HB3 . 17431 1 731 . 1 1 73 73 ASN HD21 H 1 7.51 0.03 . 2 . . . A 102 ASN HD21 . 17431 1 732 . 1 1 73 73 ASN HD22 H 1 7.52 0.03 . 2 . . . A 102 ASN HD22 . 17431 1 733 . 1 1 73 73 ASN C C 13 175.6 0.20 . 1 . . . A 102 ASN C . 17431 1 734 . 1 1 73 73 ASN CA C 13 52.0 0.20 . 1 . . . A 102 ASN CA . 17431 1 735 . 1 1 73 73 ASN CB C 13 38.5 0.20 . 1 . . . A 102 ASN CB . 17431 1 736 . 1 1 73 73 ASN N N 15 114.8 0.20 . 1 . . . A 102 ASN N . 17431 1 737 . 1 1 73 73 ASN ND2 N 15 109.0 0.20 . 1 . . . A 102 ASN ND2 . 17431 1 738 . 1 1 74 74 ALA H H 1 8.40 0.03 . 1 . . . A 103 ALA H . 17431 1 739 . 1 1 74 74 ALA HA H 1 5.31 0.03 . 1 . . . A 103 ALA HA . 17431 1 740 . 1 1 74 74 ALA HB1 H 1 1.50 0.03 . 1 . . . A 103 ALA HB1 . 17431 1 741 . 1 1 74 74 ALA HB2 H 1 1.50 0.03 . 1 . . . A 103 ALA HB2 . 17431 1 742 . 1 1 74 74 ALA HB3 H 1 1.50 0.03 . 1 . . . A 103 ALA HB3 . 17431 1 743 . 1 1 74 74 ALA C C 13 175.2 0.20 . 1 . . . A 103 ALA C . 17431 1 744 . 1 1 74 74 ALA CA C 13 51.6 0.20 . 1 . . . A 103 ALA CA . 17431 1 745 . 1 1 74 74 ALA CB C 13 23.1 0.20 . 1 . . . A 103 ALA CB . 17431 1 746 . 1 1 74 74 ALA N N 15 121.8 0.20 . 1 . . . A 103 ALA N . 17431 1 747 . 1 1 75 75 VAL H H 1 8.88 0.03 . 1 . . . A 104 VAL H . 17431 1 748 . 1 1 75 75 VAL HA H 1 4.88 0.03 . 1 . . . A 104 VAL HA . 17431 1 749 . 1 1 75 75 VAL HB H 1 1.60 0.03 . 1 . . . A 104 VAL HB . 17431 1 750 . 1 1 75 75 VAL HG11 H 1 0.61 0.03 . 2 . . . A 104 VAL HG11 . 17431 1 751 . 1 1 75 75 VAL HG12 H 1 0.61 0.03 . 2 . . . A 104 VAL HG12 . 17431 1 752 . 1 1 75 75 VAL HG13 H 1 0.61 0.03 . 2 . . . A 104 VAL HG13 . 17431 1 753 . 1 1 75 75 VAL HG21 H 1 0.59 0.03 . 2 . . . A 104 VAL HG21 . 17431 1 754 . 1 1 75 75 VAL HG22 H 1 0.59 0.03 . 2 . . . A 104 VAL HG22 . 17431 1 755 . 1 1 75 75 VAL HG23 H 1 0.59 0.03 . 2 . . . A 104 VAL HG23 . 17431 1 756 . 1 1 75 75 VAL C C 13 173.7 0.20 . 1 . . . A 104 VAL C . 17431 1 757 . 1 1 75 75 VAL CA C 13 59.8 0.20 . 1 . . . A 104 VAL CA . 17431 1 758 . 1 1 75 75 VAL CB C 13 36.9 0.20 . 1 . . . A 104 VAL CB . 17431 1 759 . 1 1 75 75 VAL CG1 C 13 21.5 0.20 . 2 . . . A 104 VAL CG1 . 17431 1 760 . 1 1 75 75 VAL CG2 C 13 23.0 0.20 . 2 . . . A 104 VAL CG2 . 17431 1 761 . 1 1 75 75 VAL N N 15 117.8 0.20 . 1 . . . A 104 VAL N . 17431 1 762 . 1 1 76 76 LEU H H 1 8.83 0.03 . 1 . . . A 105 LEU H . 17431 1 763 . 1 1 76 76 LEU HA H 1 4.83 0.03 . 1 . . . A 105 LEU HA . 17431 1 764 . 1 1 76 76 LEU HB2 H 1 1.00 0.03 . 2 . . . A 105 LEU HB2 . 17431 1 765 . 1 1 76 76 LEU HB3 H 1 1.69 0.03 . 2 . . . A 105 LEU HB3 . 17431 1 766 . 1 1 76 76 LEU HG H 1 1.22 0.03 . 1 . . . A 105 LEU HG . 17431 1 767 . 1 1 76 76 LEU HD11 H 1 0.51 0.03 . 2 . . . A 105 LEU HD11 . 17431 1 768 . 1 1 76 76 LEU HD12 H 1 0.51 0.03 . 2 . . . A 105 LEU HD12 . 17431 1 769 . 1 1 76 76 LEU HD13 H 1 0.51 0.03 . 2 . . . A 105 LEU HD13 . 17431 1 770 . 1 1 76 76 LEU HD21 H 1 0.78 0.03 . 2 . . . A 105 LEU HD21 . 17431 1 771 . 1 1 76 76 LEU HD22 H 1 0.78 0.03 . 2 . . . A 105 LEU HD22 . 17431 1 772 . 1 1 76 76 LEU HD23 H 1 0.78 0.03 . 2 . . . A 105 LEU HD23 . 17431 1 773 . 1 1 76 76 LEU C C 13 174.5 0.20 . 1 . . . A 105 LEU C . 17431 1 774 . 1 1 76 76 LEU CA C 13 53.1 0.20 . 1 . . . A 105 LEU CA . 17431 1 775 . 1 1 76 76 LEU CB C 13 43.1 0.20 . 1 . . . A 105 LEU CB . 17431 1 776 . 1 1 76 76 LEU CG C 13 27.1 0.20 . 1 . . . A 105 LEU CG . 17431 1 777 . 1 1 76 76 LEU CD1 C 13 22.2 0.20 . 2 . . . A 105 LEU CD1 . 17431 1 778 . 1 1 76 76 LEU CD2 C 13 25.8 0.20 . 2 . . . A 105 LEU CD2 . 17431 1 779 . 1 1 76 76 LEU N N 15 128.4 0.20 . 1 . . . A 105 LEU N . 17431 1 780 . 1 1 77 77 LEU H H 1 8.84 0.03 . 1 . . . A 106 LEU H . 17431 1 781 . 1 1 77 77 LEU HA H 1 3.85 0.03 . 1 . . . A 106 LEU HA . 17431 1 782 . 1 1 77 77 LEU HB2 H 1 1.06 0.03 . 2 . . . A 106 LEU HB2 . 17431 1 783 . 1 1 77 77 LEU HB3 H 1 1.83 0.03 . 2 . . . A 106 LEU HB3 . 17431 1 784 . 1 1 77 77 LEU HG H 1 1.34 0.03 . 1 . . . A 106 LEU HG . 17431 1 785 . 1 1 77 77 LEU HD11 H 1 0.86 0.03 . 2 . . . A 106 LEU HD11 . 17431 1 786 . 1 1 77 77 LEU HD12 H 1 0.86 0.03 . 2 . . . A 106 LEU HD12 . 17431 1 787 . 1 1 77 77 LEU HD13 H 1 0.86 0.03 . 2 . . . A 106 LEU HD13 . 17431 1 788 . 1 1 77 77 LEU HD21 H 1 0.81 0.03 . 2 . . . A 106 LEU HD21 . 17431 1 789 . 1 1 77 77 LEU HD22 H 1 0.81 0.03 . 2 . . . A 106 LEU HD22 . 17431 1 790 . 1 1 77 77 LEU HD23 H 1 0.81 0.03 . 2 . . . A 106 LEU HD23 . 17431 1 791 . 1 1 77 77 LEU C C 13 175.4 0.20 . 1 . . . A 106 LEU C . 17431 1 792 . 1 1 77 77 LEU CA C 13 56.0 0.20 . 1 . . . A 106 LEU CA . 17431 1 793 . 1 1 77 77 LEU CB C 13 44.0 0.20 . 1 . . . A 106 LEU CB . 17431 1 794 . 1 1 77 77 LEU CG C 13 27.2 0.20 . 1 . . . A 106 LEU CG . 17431 1 795 . 1 1 77 77 LEU CD1 C 13 24.8 0.20 . 2 . . . A 106 LEU CD1 . 17431 1 796 . 1 1 77 77 LEU CD2 C 13 26.4 0.20 . 2 . . . A 106 LEU CD2 . 17431 1 797 . 1 1 77 77 LEU N N 15 129.9 0.20 . 1 . . . A 106 LEU N . 17431 1 798 . 1 1 78 78 HIS H H 1 9.56 0.03 . 1 . . . A 107 HIS H . 17431 1 799 . 1 1 78 78 HIS HA H 1 4.97 0.03 . 1 . . . A 107 HIS HA . 17431 1 800 . 1 1 78 78 HIS HB2 H 1 3.07 0.03 . 2 . . . A 107 HIS HB2 . 17431 1 801 . 1 1 78 78 HIS HB3 H 1 3.16 0.03 . 2 . . . A 107 HIS HB3 . 17431 1 802 . 1 1 78 78 HIS HD2 H 1 6.76 0.03 . 1 . . . A 107 HIS HD2 . 17431 1 803 . 1 1 78 78 HIS HE1 H 1 7.69 0.03 . 1 . . . A 107 HIS HE1 . 17431 1 804 . 1 1 78 78 HIS C C 13 176.0 0.20 . 1 . . . A 107 HIS C . 17431 1 805 . 1 1 78 78 HIS CA C 13 57.1 0.20 . 1 . . . A 107 HIS CA . 17431 1 806 . 1 1 78 78 HIS CB C 13 31.0 0.20 . 1 . . . A 107 HIS CB . 17431 1 807 . 1 1 78 78 HIS CD2 C 13 119.0 0.20 . 1 . . . A 107 HIS CD2 . 17431 1 808 . 1 1 78 78 HIS CE1 C 13 139.1 0.20 . 1 . . . A 107 HIS CE1 . 17431 1 809 . 1 1 78 78 HIS N N 15 126.4 0.20 . 1 . . . A 107 HIS N . 17431 1 810 . 1 1 79 79 SER H H 1 7.80 0.03 . 1 . . . A 108 SER H . 17431 1 811 . 1 1 79 79 SER HA H 1 4.60 0.03 . 1 . . . A 108 SER HA . 17431 1 812 . 1 1 79 79 SER HB2 H 1 3.84 0.03 . 2 . . . A 108 SER HB2 . 17431 1 813 . 1 1 79 79 SER HB3 H 1 3.98 0.03 . 2 . . . A 108 SER HB3 . 17431 1 814 . 1 1 79 79 SER C C 13 173.5 0.20 . 1 . . . A 108 SER C . 17431 1 815 . 1 1 79 79 SER CA C 13 58.1 0.20 . 1 . . . A 108 SER CA . 17431 1 816 . 1 1 79 79 SER CB C 13 64.6 0.20 . 1 . . . A 108 SER CB . 17431 1 817 . 1 1 79 79 SER N N 15 108.6 0.20 . 1 . . . A 108 SER N . 17431 1 818 . 1 1 80 80 CYS H H 1 8.54 0.03 . 1 . . . A 109 CYS H . 17431 1 819 . 1 1 80 80 CYS HA H 1 5.90 0.03 . 1 . . . A 109 CYS HA . 17431 1 820 . 1 1 80 80 CYS HB2 H 1 2.58 0.03 . 2 . . . A 109 CYS HB2 . 17431 1 821 . 1 1 80 80 CYS HB3 H 1 3.24 0.03 . 2 . . . A 109 CYS HB3 . 17431 1 822 . 1 1 80 80 CYS C C 13 173.3 0.20 . 1 . . . A 109 CYS C . 17431 1 823 . 1 1 80 80 CYS CA C 13 56.5 0.20 . 1 . . . A 109 CYS CA . 17431 1 824 . 1 1 80 80 CYS CB C 13 48.8 0.20 . 1 . . . A 109 CYS CB . 17431 1 825 . 1 1 80 80 CYS N N 15 118.3 0.20 . 1 . . . A 109 CYS N . 17431 1 826 . 1 1 81 81 GLU H H 1 8.68 0.03 . 1 . . . A 110 GLU H . 17431 1 827 . 1 1 81 81 GLU HA H 1 4.74 0.03 . 1 . . . A 110 GLU HA . 17431 1 828 . 1 1 81 81 GLU HB2 H 1 1.91 0.03 . 2 . . . A 110 GLU HB2 . 17431 1 829 . 1 1 81 81 GLU HB3 H 1 2.06 0.03 . 2 . . . A 110 GLU HB3 . 17431 1 830 . 1 1 81 81 GLU HG2 H 1 2.14 0.03 . 2 . . . A 110 GLU HG2 . 17431 1 831 . 1 1 81 81 GLU HG3 H 1 2.23 0.03 . 2 . . . A 110 GLU HG3 . 17431 1 832 . 1 1 81 81 GLU C C 13 174.4 0.20 . 1 . . . A 110 GLU C . 17431 1 833 . 1 1 81 81 GLU CA C 13 54.8 0.20 . 1 . . . A 110 GLU CA . 17431 1 834 . 1 1 81 81 GLU CB C 13 34.0 0.20 . 1 . . . A 110 GLU CB . 17431 1 835 . 1 1 81 81 GLU CG C 13 35.4 0.20 . 1 . . . A 110 GLU CG . 17431 1 836 . 1 1 81 81 GLU N N 15 120.3 0.20 . 1 . . . A 110 GLU N . 17431 1 837 . 1 1 82 82 VAL H H 1 8.84 0.03 . 1 . . . A 111 VAL H . 17431 1 838 . 1 1 82 82 VAL HA H 1 4.95 0.03 . 1 . . . A 111 VAL HA . 17431 1 839 . 1 1 82 82 VAL HB H 1 1.97 0.03 . 1 . . . A 111 VAL HB . 17431 1 840 . 1 1 82 82 VAL HG11 H 1 0.90 0.03 . 2 . . . A 111 VAL HG11 . 17431 1 841 . 1 1 82 82 VAL HG12 H 1 0.90 0.03 . 2 . . . A 111 VAL HG12 . 17431 1 842 . 1 1 82 82 VAL HG13 H 1 0.90 0.03 . 2 . . . A 111 VAL HG13 . 17431 1 843 . 1 1 82 82 VAL HG21 H 1 0.85 0.03 . 2 . . . A 111 VAL HG21 . 17431 1 844 . 1 1 82 82 VAL HG22 H 1 0.85 0.03 . 2 . . . A 111 VAL HG22 . 17431 1 845 . 1 1 82 82 VAL HG23 H 1 0.85 0.03 . 2 . . . A 111 VAL HG23 . 17431 1 846 . 1 1 82 82 VAL C C 13 175.8 0.20 . 1 . . . A 111 VAL C . 17431 1 847 . 1 1 82 82 VAL CA C 13 61.8 0.20 . 1 . . . A 111 VAL CA . 17431 1 848 . 1 1 82 82 VAL CB C 13 32.3 0.20 . 1 . . . A 111 VAL CB . 17431 1 849 . 1 1 82 82 VAL CG1 C 13 21.5 0.20 . 2 . . . A 111 VAL CG1 . 17431 1 850 . 1 1 82 82 VAL CG2 C 13 22.1 0.20 . 2 . . . A 111 VAL CG2 . 17431 1 851 . 1 1 82 82 VAL N N 15 122.3 0.20 . 1 . . . A 111 VAL N . 17431 1 852 . 1 1 83 83 THR H H 1 9.21 0.03 . 1 . . . A 112 THR H . 17431 1 853 . 1 1 83 83 THR HA H 1 4.90 0.03 . 1 . . . A 112 THR HA . 17431 1 854 . 1 1 83 83 THR HB H 1 4.13 0.03 . 1 . . . A 112 THR HB . 17431 1 855 . 1 1 83 83 THR HG21 H 1 1.20 0.03 . 1 . . . A 112 THR HG21 . 17431 1 856 . 1 1 83 83 THR HG22 H 1 1.20 0.03 . 1 . . . A 112 THR HG22 . 17431 1 857 . 1 1 83 83 THR HG23 H 1 1.20 0.03 . 1 . . . A 112 THR HG23 . 17431 1 858 . 1 1 83 83 THR C C 13 173.4 0.20 . 1 . . . A 112 THR C . 17431 1 859 . 1 1 83 83 THR CA C 13 59.6 0.20 . 1 . . . A 112 THR CA . 17431 1 860 . 1 1 83 83 THR CB C 13 71.5 0.20 . 1 . . . A 112 THR CB . 17431 1 861 . 1 1 83 83 THR CG2 C 13 20.5 0.20 . 1 . . . A 112 THR CG2 . 17431 1 862 . 1 1 83 83 THR N N 15 121.6 0.20 . 1 . . . A 112 THR N . 17431 1 863 . 1 1 84 84 SER HA H 1 4.91 0.03 . 1 . . . A 113 SER HA . 17431 1 864 . 1 1 84 84 SER HB2 H 1 3.74 0.03 . 2 . . . A 113 SER HB2 . 17431 1 865 . 1 1 84 84 SER HB3 H 1 3.89 0.03 . 2 . . . A 113 SER HB3 . 17431 1 866 . 1 1 84 84 SER C C 13 175.0 0.20 . 1 . . . A 113 SER C . 17431 1 867 . 1 1 84 84 SER CA C 13 57.9 0.20 . 1 . . . A 113 SER CA . 17431 1 868 . 1 1 84 84 SER CB C 13 65.0 0.20 . 1 . . . A 113 SER CB . 17431 1 869 . 1 1 85 85 GLY H H 1 8.55 0.03 . 1 . . . A 114 GLY H . 17431 1 870 . 1 1 85 85 GLY HA2 H 1 3.92 0.03 . 1 . . . A 114 GLY HA2 . 17431 1 871 . 1 1 85 85 GLY HA3 H 1 3.94 0.03 . 2 . . . A 114 GLY HA3 . 17431 1 872 . 1 1 85 85 GLY C C 13 175.0 0.20 . 1 . . . A 114 GLY C . 17431 1 873 . 1 1 85 85 GLY CA C 13 46.2 0.20 . 1 . . . A 114 GLY CA . 17431 1 874 . 1 1 85 85 GLY N N 15 109.6 0.20 . 1 . . . A 114 GLY N . 17431 1 875 . 1 1 86 86 THR H H 1 8.46 0.03 . 1 . . . A 115 THR H . 17431 1 876 . 1 1 86 86 THR HA H 1 4.55 0.03 . 1 . . . A 115 THR HA . 17431 1 877 . 1 1 86 86 THR HB H 1 4.15 0.03 . 1 . . . A 115 THR HB . 17431 1 878 . 1 1 86 86 THR HG21 H 1 1.04 0.03 . 1 . . . A 115 THR HG21 . 17431 1 879 . 1 1 86 86 THR HG22 H 1 1.04 0.03 . 1 . . . A 115 THR HG22 . 17431 1 880 . 1 1 86 86 THR HG23 H 1 1.04 0.03 . 1 . . . A 115 THR HG23 . 17431 1 881 . 1 1 86 86 THR C C 13 172.8 0.20 . 1 . . . A 115 THR C . 17431 1 882 . 1 1 86 86 THR CA C 13 59.9 0.20 . 1 . . . A 115 THR CA . 17431 1 883 . 1 1 86 86 THR CB C 13 68.5 0.20 . 1 . . . A 115 THR CB . 17431 1 884 . 1 1 86 86 THR CG2 C 13 22.0 0.20 . 1 . . . A 115 THR CG2 . 17431 1 885 . 1 1 86 86 THR N N 15 118.1 0.20 . 1 . . . A 115 THR N . 17431 1 886 . 1 1 87 87 PRO HA H 1 4.21 0.03 . 1 . . . A 116 PRO HA . 17431 1 887 . 1 1 87 87 PRO HB2 H 1 1.90 0.03 . 2 . . . A 116 PRO HB2 . 17431 1 888 . 1 1 87 87 PRO HB3 H 1 2.27 0.03 . 2 . . . A 116 PRO HB3 . 17431 1 889 . 1 1 87 87 PRO HG2 H 1 2.27 0.03 . 1 . . . A 116 PRO HG2 . 17431 1 890 . 1 1 87 87 PRO HG3 H 1 2.27 0.03 . 1 . . . A 116 PRO HG3 . 17431 1 891 . 1 1 87 87 PRO HD2 H 1 3.65 0.03 . 2 . . . A 116 PRO HD2 . 17431 1 892 . 1 1 87 87 PRO HD3 H 1 4.01 0.03 . 2 . . . A 116 PRO HD3 . 17431 1 893 . 1 1 87 87 PRO C C 13 177.6 0.20 . 1 . . . A 116 PRO C . 17431 1 894 . 1 1 87 87 PRO CA C 13 60.1 0.20 . 1 . . . A 116 PRO CA . 17431 1 895 . 1 1 87 87 PRO CB C 13 31.5 0.20 . 1 . . . A 116 PRO CB . 17431 1 896 . 1 1 87 87 PRO CG C 13 27.9 0.20 . 1 . . . A 116 PRO CG . 17431 1 897 . 1 1 87 87 PRO CD C 13 51.0 0.20 . 1 . . . A 116 PRO CD . 17431 1 898 . 1 1 88 88 GLY H H 1 8.65 0.03 . 1 . . . A 117 GLY H . 17431 1 899 . 1 1 88 88 GLY HA2 H 1 3.74 0.03 . 1 . . . A 117 GLY HA2 . 17431 1 900 . 1 1 88 88 GLY HA3 H 1 4.20 0.03 . 2 . . . A 117 GLY HA3 . 17431 1 901 . 1 1 88 88 GLY C C 13 174.6 0.20 . 1 . . . A 117 GLY C . 17431 1 902 . 1 1 88 88 GLY CA C 13 45.2 0.20 . 1 . . . A 117 GLY CA . 17431 1 903 . 1 1 88 88 GLY N N 15 111.3 0.20 . 1 . . . A 117 GLY N . 17431 1 904 . 1 1 89 89 CYS H H 1 7.73 0.03 . 1 . . . A 118 CYS H . 17431 1 905 . 1 1 89 89 CYS HA H 1 4.90 0.03 . 1 . . . A 118 CYS HA . 17431 1 906 . 1 1 89 89 CYS HB2 H 1 2.54 0.03 . 2 . . . A 118 CYS HB2 . 17431 1 907 . 1 1 89 89 CYS HB3 H 1 3.02 0.03 . 2 . . . A 118 CYS HB3 . 17431 1 908 . 1 1 89 89 CYS C C 13 173.0 0.20 . 1 . . . A 118 CYS C . 17431 1 909 . 1 1 89 89 CYS CA C 13 54.8 0.20 . 1 . . . A 118 CYS CA . 17431 1 910 . 1 1 89 89 CYS CB C 13 44.3 0.20 . 1 . . . A 118 CYS CB . 17431 1 911 . 1 1 89 89 CYS N N 15 115.5 0.20 . 1 . . . A 118 CYS N . 17431 1 912 . 1 1 90 90 TYR H H 1 8.74 0.03 . 1 . . . A 119 TYR H . 17431 1 913 . 1 1 90 90 TYR HA H 1 4.30 0.03 . 1 . . . A 119 TYR HA . 17431 1 914 . 1 1 90 90 TYR HB2 H 1 2.46 0.03 . 2 . . . A 119 TYR HB2 . 17431 1 915 . 1 1 90 90 TYR HB3 H 1 3.17 0.03 . 2 . . . A 119 TYR HB3 . 17431 1 916 . 1 1 90 90 TYR HD1 H 1 7.03 0.03 . 1 . . . A 119 TYR HD1 . 17431 1 917 . 1 1 90 90 TYR HD2 H 1 7.03 0.03 . 1 . . . A 119 TYR HD2 . 17431 1 918 . 1 1 90 90 TYR HE1 H 1 6.83 0.03 . 1 . . . A 119 TYR HE1 . 17431 1 919 . 1 1 90 90 TYR HE2 H 1 6.83 0.03 . 1 . . . A 119 TYR HE2 . 17431 1 920 . 1 1 90 90 TYR C C 13 178.1 0.20 . 1 . . . A 119 TYR C . 17431 1 921 . 1 1 90 90 TYR CA C 13 61.8 0.20 . 1 . . . A 119 TYR CA . 17431 1 922 . 1 1 90 90 TYR CB C 13 38.8 0.20 . 1 . . . A 119 TYR CB . 17431 1 923 . 1 1 90 90 TYR CD1 C 13 133.7 0.20 . 1 . . . A 119 TYR CD1 . 17431 1 924 . 1 1 90 90 TYR CD2 C 13 133.7 0.20 . 1 . . . A 119 TYR CD2 . 17431 1 925 . 1 1 90 90 TYR CE1 C 13 118.4 0.20 . 1 . . . A 119 TYR CE1 . 17431 1 926 . 1 1 90 90 TYR CE2 C 13 118.4 0.20 . 1 . . . A 119 TYR CE2 . 17431 1 927 . 1 1 90 90 TYR N N 15 130.7 0.20 . 1 . . . A 119 TYR N . 17431 1 928 . 1 1 91 91 ARG H H 1 7.96 0.03 . 1 . . . A 120 ARG H . 17431 1 929 . 1 1 91 91 ARG HA H 1 4.68 0.03 . 1 . . . A 120 ARG HA . 17431 1 930 . 1 1 91 91 ARG HB2 H 1 2.08 0.03 . 1 . . . A 120 ARG HB2 . 17431 1 931 . 1 1 91 91 ARG HB3 H 1 2.08 0.03 . 1 . . . A 120 ARG HB3 . 17431 1 932 . 1 1 91 91 ARG HG2 H 1 1.29 0.03 . 2 . . . A 120 ARG HG2 . 17431 1 933 . 1 1 91 91 ARG HG3 H 1 1.42 0.03 . 2 . . . A 120 ARG HG3 . 17431 1 934 . 1 1 91 91 ARG HD2 H 1 2.81 0.03 . 2 . . . A 120 ARG HD2 . 17431 1 935 . 1 1 91 91 ARG HD3 H 1 3.11 0.03 . 2 . . . A 120 ARG HD3 . 17431 1 936 . 1 1 91 91 ARG C C 13 174.4 0.20 . 1 . . . A 120 ARG C . 17431 1 937 . 1 1 91 91 ARG CA C 13 55.0 0.20 . 1 . . . A 120 ARG CA . 17431 1 938 . 1 1 91 91 ARG CB C 13 35.7 0.20 . 1 . . . A 120 ARG CB . 17431 1 939 . 1 1 91 91 ARG CG C 13 27.8 0.20 . 1 . . . A 120 ARG CG . 17431 1 940 . 1 1 91 91 ARG CD C 13 43.3 0.20 . 1 . . . A 120 ARG CD . 17431 1 941 . 1 1 91 91 ARG N N 15 114.3 0.20 . 1 . . . A 120 ARG N . 17431 1 942 . 1 1 92 92 GLN H H 1 8.85 0.03 . 1 . . . A 121 GLN H . 17431 1 943 . 1 1 92 92 GLN HA H 1 5.32 0.03 . 1 . . . A 121 GLN HA . 17431 1 944 . 1 1 92 92 GLN HB2 H 1 1.59 0.03 . 2 . . . A 121 GLN HB2 . 17431 1 945 . 1 1 92 92 GLN HB3 H 1 2.15 0.03 . 2 . . . A 121 GLN HB3 . 17431 1 946 . 1 1 92 92 GLN HG2 H 1 2.21 0.03 . 1 . . . A 121 GLN HG2 . 17431 1 947 . 1 1 92 92 GLN HG3 H 1 2.21 0.03 . 1 . . . A 121 GLN HG3 . 17431 1 948 . 1 1 92 92 GLN HE21 H 1 6.79 0.03 . 2 . . . A 121 GLN HE21 . 17431 1 949 . 1 1 92 92 GLN C C 13 174.3 0.20 . 1 . . . A 121 GLN C . 17431 1 950 . 1 1 92 92 GLN CA C 13 54.3 0.20 . 1 . . . A 121 GLN CA . 17431 1 951 . 1 1 92 92 GLN CB C 13 33.3 0.20 . 1 . . . A 121 GLN CB . 17431 1 952 . 1 1 92 92 GLN CG C 13 34.0 0.20 . 1 . . . A 121 GLN CG . 17431 1 953 . 1 1 92 92 GLN N N 15 122.7 0.20 . 1 . . . A 121 GLN N . 17431 1 954 . 1 1 93 93 ALA H H 1 9.31 0.03 . 1 . . . A 122 ALA H . 17431 1 955 . 1 1 93 93 ALA HA H 1 5.41 0.03 . 1 . . . A 122 ALA HA . 17431 1 956 . 1 1 93 93 ALA HB1 H 1 1.15 0.03 . 1 . . . A 122 ALA HB1 . 17431 1 957 . 1 1 93 93 ALA HB2 H 1 1.15 0.03 . 1 . . . A 122 ALA HB2 . 17431 1 958 . 1 1 93 93 ALA HB3 H 1 1.15 0.03 . 1 . . . A 122 ALA HB3 . 17431 1 959 . 1 1 93 93 ALA C C 13 176.1 0.20 . 1 . . . A 122 ALA C . 17431 1 960 . 1 1 93 93 ALA CA C 13 50.3 0.20 . 1 . . . A 122 ALA CA . 17431 1 961 . 1 1 93 93 ALA CB C 13 20.6 0.20 . 1 . . . A 122 ALA CB . 17431 1 962 . 1 1 93 93 ALA N N 15 129.0 0.20 . 1 . . . A 122 ALA N . 17431 1 963 . 1 1 94 94 VAL H H 1 9.06 0.03 . 1 . . . A 123 VAL H . 17431 1 964 . 1 1 94 94 VAL HA H 1 4.88 0.03 . 1 . . . A 123 VAL HA . 17431 1 965 . 1 1 94 94 VAL HB H 1 1.91 0.03 . 1 . . . A 123 VAL HB . 17431 1 966 . 1 1 94 94 VAL HG11 H 1 0.90 0.03 . 2 . . . A 123 VAL HG11 . 17431 1 967 . 1 1 94 94 VAL HG12 H 1 0.90 0.03 . 2 . . . A 123 VAL HG12 . 17431 1 968 . 1 1 94 94 VAL HG13 H 1 0.90 0.03 . 2 . . . A 123 VAL HG13 . 17431 1 969 . 1 1 94 94 VAL HG21 H 1 0.83 0.03 . 2 . . . A 123 VAL HG21 . 17431 1 970 . 1 1 94 94 VAL HG22 H 1 0.83 0.03 . 2 . . . A 123 VAL HG22 . 17431 1 971 . 1 1 94 94 VAL HG23 H 1 0.83 0.03 . 2 . . . A 123 VAL HG23 . 17431 1 972 . 1 1 94 94 VAL C C 13 176.3 0.20 . 1 . . . A 123 VAL C . 17431 1 973 . 1 1 94 94 VAL CA C 13 61.2 0.20 . 1 . . . A 123 VAL CA . 17431 1 974 . 1 1 94 94 VAL CB C 13 35.6 0.20 . 1 . . . A 123 VAL CB . 17431 1 975 . 1 1 94 94 VAL CG1 C 13 20.5 0.20 . 2 . . . A 123 VAL CG1 . 17431 1 976 . 1 1 94 94 VAL CG2 C 13 21.2 0.20 . 2 . . . A 123 VAL CG2 . 17431 1 977 . 1 1 94 94 VAL N N 15 121.6 0.20 . 1 . . . A 123 VAL N . 17431 1 978 . 1 1 95 95 CYS H H 1 9.13 0.03 . 1 . . . A 124 CYS H . 17431 1 979 . 1 1 95 95 CYS HA H 1 5.85 0.03 . 1 . . . A 124 CYS HA . 17431 1 980 . 1 1 95 95 CYS HB2 H 1 2.47 0.03 . 2 . . . A 124 CYS HB2 . 17431 1 981 . 1 1 95 95 CYS HB3 H 1 3.00 0.03 . 2 . . . A 124 CYS HB3 . 17431 1 982 . 1 1 95 95 CYS C C 13 172.2 0.20 . 1 . . . A 124 CYS C . 17431 1 983 . 1 1 95 95 CYS CA C 13 55.3 0.20 . 1 . . . A 124 CYS CA . 17431 1 984 . 1 1 95 95 CYS CB C 13 46.2 0.20 . 1 . . . A 124 CYS CB . 17431 1 985 . 1 1 95 95 CYS N N 15 126.7 0.20 . 1 . . . A 124 CYS N . 17431 1 986 . 1 1 96 96 ILE H H 1 8.92 0.03 . 1 . . . A 125 ILE H . 17431 1 987 . 1 1 96 96 ILE HA H 1 4.90 0.03 . 1 . . . A 125 ILE HA . 17431 1 988 . 1 1 96 96 ILE HB H 1 1.76 0.03 . 1 . . . A 125 ILE HB . 17431 1 989 . 1 1 96 96 ILE HG12 H 1 1.11 0.03 . 2 . . . A 125 ILE HG12 . 17431 1 990 . 1 1 96 96 ILE HG13 H 1 1.59 0.03 . 2 . . . A 125 ILE HG13 . 17431 1 991 . 1 1 96 96 ILE HG21 H 1 0.97 0.03 . 1 . . . A 125 ILE HG21 . 17431 1 992 . 1 1 96 96 ILE HG22 H 1 0.97 0.03 . 1 . . . A 125 ILE HG22 . 17431 1 993 . 1 1 96 96 ILE HG23 H 1 0.97 0.03 . 1 . . . A 125 ILE HG23 . 17431 1 994 . 1 1 96 96 ILE HD11 H 1 0.83 0.03 . 1 . . . A 125 ILE HD11 . 17431 1 995 . 1 1 96 96 ILE HD12 H 1 0.83 0.03 . 1 . . . A 125 ILE HD12 . 17431 1 996 . 1 1 96 96 ILE HD13 H 1 0.83 0.03 . 1 . . . A 125 ILE HD13 . 17431 1 997 . 1 1 96 96 ILE C C 13 174.8 0.20 . 1 . . . A 125 ILE C . 17431 1 998 . 1 1 96 96 ILE CA C 13 59.6 0.20 . 1 . . . A 125 ILE CA . 17431 1 999 . 1 1 96 96 ILE CB C 13 41.7 0.20 . 1 . . . A 125 ILE CB . 17431 1 1000 . 1 1 96 96 ILE CG1 C 13 28.0 0.20 . 1 . . . A 125 ILE CG1 . 17431 1 1001 . 1 1 96 96 ILE CG2 C 13 17.6 0.20 . 1 . . . A 125 ILE CG2 . 17431 1 1002 . 1 1 96 96 ILE CD1 C 13 13.4 0.20 . 1 . . . A 125 ILE CD1 . 17431 1 1003 . 1 1 96 96 ILE N N 15 121.7 0.20 . 1 . . . A 125 ILE N . 17431 1 1004 . 1 1 97 97 GLY H H 1 8.96 0.03 . 1 . . . A 126 GLY H . 17431 1 1005 . 1 1 97 97 GLY HA2 H 1 3.52 0.03 . 1 . . . A 126 GLY HA2 . 17431 1 1006 . 1 1 97 97 GLY HA3 H 1 4.49 0.03 . 2 . . . A 126 GLY HA3 . 17431 1 1007 . 1 1 97 97 GLY C C 13 172.0 0.20 . 1 . . . A 126 GLY C . 17431 1 1008 . 1 1 97 97 GLY CA C 13 45.6 0.20 . 1 . . . A 126 GLY CA . 17431 1 1009 . 1 1 97 97 GLY N N 15 114.4 0.20 . 1 . . . A 126 GLY N . 17431 1 1010 . 1 1 98 98 SER H H 1 8.69 0.03 . 1 . . . A 127 SER H . 17431 1 1011 . 1 1 98 98 SER HA H 1 4.93 0.03 . 1 . . . A 127 SER HA . 17431 1 1012 . 1 1 98 98 SER HB2 H 1 3.56 0.03 . 2 . . . A 127 SER HB2 . 17431 1 1013 . 1 1 98 98 SER HB3 H 1 3.91 0.03 . 2 . . . A 127 SER HB3 . 17431 1 1014 . 1 1 98 98 SER C C 13 173.1 0.20 . 1 . . . A 127 SER C . 17431 1 1015 . 1 1 98 98 SER CA C 13 58.2 0.20 . 1 . . . A 127 SER CA . 17431 1 1016 . 1 1 98 98 SER CB C 13 64.4 0.20 . 1 . . . A 127 SER CB . 17431 1 1017 . 1 1 98 98 SER N N 15 116.7 0.20 . 1 . . . A 127 SER N . 17431 1 1018 . 1 1 99 99 ALA H H 1 9.39 0.03 . 1 . . . A 128 ALA H . 17431 1 1019 . 1 1 99 99 ALA HA H 1 4.39 0.03 . 1 . . . A 128 ALA HA . 17431 1 1020 . 1 1 99 99 ALA HB1 H 1 1.36 0.03 . 1 . . . A 128 ALA HB1 . 17431 1 1021 . 1 1 99 99 ALA HB2 H 1 1.36 0.03 . 1 . . . A 128 ALA HB2 . 17431 1 1022 . 1 1 99 99 ALA HB3 H 1 1.36 0.03 . 1 . . . A 128 ALA HB3 . 17431 1 1023 . 1 1 99 99 ALA C C 13 174.6 0.20 . 1 . . . A 128 ALA C . 17431 1 1024 . 1 1 99 99 ALA CA C 13 51.9 0.20 . 1 . . . A 128 ALA CA . 17431 1 1025 . 1 1 99 99 ALA CB C 13 19.3 0.20 . 1 . . . A 128 ALA CB . 17431 1 1026 . 1 1 99 99 ALA N N 15 130.0 0.20 . 1 . . . A 128 ALA N . 17431 1 1027 . 1 1 100 100 LEU H H 1 8.85 0.03 . 1 . . . A 129 LEU H . 17431 1 1028 . 1 1 100 100 LEU HA H 1 5.48 0.03 . 1 . . . A 129 LEU HA . 17431 1 1029 . 1 1 100 100 LEU HB2 H 1 1.49 0.03 . 2 . . . A 129 LEU HB2 . 17431 1 1030 . 1 1 100 100 LEU HB3 H 1 1.15 0.03 . 2 . . . A 129 LEU HB3 . 17431 1 1031 . 1 1 100 100 LEU HG H 1 1.56 0.03 . 1 . . . A 129 LEU HG . 17431 1 1032 . 1 1 100 100 LEU HD11 H 1 0.57 0.03 . 2 . . . A 129 LEU HD11 . 17431 1 1033 . 1 1 100 100 LEU HD12 H 1 0.57 0.03 . 2 . . . A 129 LEU HD12 . 17431 1 1034 . 1 1 100 100 LEU HD13 H 1 0.57 0.03 . 2 . . . A 129 LEU HD13 . 17431 1 1035 . 1 1 100 100 LEU HD21 H 1 0.17 0.03 . 2 . . . A 129 LEU HD21 . 17431 1 1036 . 1 1 100 100 LEU HD22 H 1 0.17 0.03 . 2 . . . A 129 LEU HD22 . 17431 1 1037 . 1 1 100 100 LEU HD23 H 1 0.17 0.03 . 2 . . . A 129 LEU HD23 . 17431 1 1038 . 1 1 100 100 LEU C C 13 176.0 0.20 . 1 . . . A 129 LEU C . 17431 1 1039 . 1 1 100 100 LEU CA C 13 52.9 0.20 . 1 . . . A 129 LEU CA . 17431 1 1040 . 1 1 100 100 LEU CB C 13 46.2 0.20 . 1 . . . A 129 LEU CB . 17431 1 1041 . 1 1 100 100 LEU CG C 13 26.4 0.20 . 1 . . . A 129 LEU CG . 17431 1 1042 . 1 1 100 100 LEU CD1 C 13 22.6 0.20 . 2 . . . A 129 LEU CD1 . 17431 1 1043 . 1 1 100 100 LEU CD2 C 13 26.4 0.20 . 2 . . . A 129 LEU CD2 . 17431 1 1044 . 1 1 100 100 LEU N N 15 121.0 0.20 . 1 . . . A 129 LEU N . 17431 1 1045 . 1 1 101 101 ASN H H 1 8.86 0.03 . 1 . . . A 130 ASN H . 17431 1 1046 . 1 1 101 101 ASN HA H 1 5.25 0.03 . 1 . . . A 130 ASN HA . 17431 1 1047 . 1 1 101 101 ASN HB2 H 1 2.60 0.03 . 2 . . . A 130 ASN HB2 . 17431 1 1048 . 1 1 101 101 ASN HB3 H 1 2.88 0.03 . 2 . . . A 130 ASN HB3 . 17431 1 1049 . 1 1 101 101 ASN HD21 H 1 7.06 0.03 . 2 . . . A 130 ASN HD21 . 17431 1 1050 . 1 1 101 101 ASN C C 13 175.4 0.20 . 1 . . . A 130 ASN C . 17431 1 1051 . 1 1 101 101 ASN CA C 13 52.2 0.20 . 1 . . . A 130 ASN CA . 17431 1 1052 . 1 1 101 101 ASN CB C 13 40.6 0.20 . 1 . . . A 130 ASN CB . 17431 1 1053 . 1 1 101 101 ASN N N 15 118.3 0.20 . 1 . . . A 130 ASN N . 17431 1 1054 . 1 1 102 102 ILE H H 1 10.21 0.03 . 1 . . . A 131 ILE H . 17431 1 1055 . 1 1 102 102 ILE HA H 1 4.56 0.03 . 1 . . . A 131 ILE HA . 17431 1 1056 . 1 1 102 102 ILE HB H 1 1.83 0.03 . 1 . . . A 131 ILE HB . 17431 1 1057 . 1 1 102 102 ILE HG12 H 1 0.94 0.03 . 1 . . . A 131 ILE HG12 . 17431 1 1058 . 1 1 102 102 ILE HG13 H 1 0.94 0.03 . 1 . . . A 131 ILE HG13 . 17431 1 1059 . 1 1 102 102 ILE HG21 H 1 0.95 0.03 . 1 . . . A 131 ILE HG21 . 17431 1 1060 . 1 1 102 102 ILE HG22 H 1 0.95 0.03 . 1 . . . A 131 ILE HG22 . 17431 1 1061 . 1 1 102 102 ILE HG23 H 1 0.95 0.03 . 1 . . . A 131 ILE HG23 . 17431 1 1062 . 1 1 102 102 ILE HD11 H 1 0.63 0.03 . 1 . . . A 131 ILE HD11 . 17431 1 1063 . 1 1 102 102 ILE HD12 H 1 0.63 0.03 . 1 . . . A 131 ILE HD12 . 17431 1 1064 . 1 1 102 102 ILE HD13 H 1 0.63 0.03 . 1 . . . A 131 ILE HD13 . 17431 1 1065 . 1 1 102 102 ILE C C 13 176.9 0.20 . 1 . . . A 131 ILE C . 17431 1 1066 . 1 1 102 102 ILE CA C 13 61.5 0.20 . 1 . . . A 131 ILE CA . 17431 1 1067 . 1 1 102 102 ILE CB C 13 38.6 0.20 . 1 . . . A 131 ILE CB . 17431 1 1068 . 1 1 102 102 ILE CG1 C 13 27.9 0.20 . 1 . . . A 131 ILE CG1 . 17431 1 1069 . 1 1 102 102 ILE CG2 C 13 17.6 0.20 . 1 . . . A 131 ILE CG2 . 17431 1 1070 . 1 1 102 102 ILE CD1 C 13 14.5 0.20 . 1 . . . A 131 ILE CD1 . 17431 1 1071 . 1 1 102 102 ILE N N 15 129.1 0.20 . 1 . . . A 131 ILE N . 17431 1 1072 . 1 1 103 103 THR H H 1 8.40 0.03 . 1 . . . A 132 THR H . 17431 1 1073 . 1 1 103 103 THR HA H 1 4.36 0.03 . 1 . . . A 132 THR HA . 17431 1 1074 . 1 1 103 103 THR HB H 1 4.24 0.03 . 1 . . . A 132 THR HB . 17431 1 1075 . 1 1 103 103 THR HG21 H 1 1.20 0.03 . 1 . . . A 132 THR HG21 . 17431 1 1076 . 1 1 103 103 THR HG22 H 1 1.20 0.03 . 1 . . . A 132 THR HG22 . 17431 1 1077 . 1 1 103 103 THR HG23 H 1 1.20 0.03 . 1 . . . A 132 THR HG23 . 17431 1 1078 . 1 1 103 103 THR C C 13 173.7 0.20 . 1 . . . A 132 THR C . 17431 1 1079 . 1 1 103 103 THR CA C 13 62.2 0.20 . 1 . . . A 132 THR CA . 17431 1 1080 . 1 1 103 103 THR CB C 13 69.5 0.20 . 1 . . . A 132 THR CB . 17431 1 1081 . 1 1 103 103 THR CG2 C 13 21.7 0.20 . 1 . . . A 132 THR CG2 . 17431 1 1082 . 1 1 103 103 THR N N 15 122.5 0.20 . 1 . . . A 132 THR N . 17431 1 1083 . 1 1 104 104 ALA H H 1 8.17 0.03 . 1 . . . A 133 ALA H . 17431 1 1084 . 1 1 104 104 ALA HA H 1 4.39 0.03 . 1 . . . A 133 ALA HA . 17431 1 1085 . 1 1 104 104 ALA HB1 H 1 1.42 0.03 . 1 . . . A 133 ALA HB1 . 17431 1 1086 . 1 1 104 104 ALA HB2 H 1 1.42 0.03 . 1 . . . A 133 ALA HB2 . 17431 1 1087 . 1 1 104 104 ALA HB3 H 1 1.42 0.03 . 1 . . . A 133 ALA HB3 . 17431 1 1088 . 1 1 104 104 ALA C C 13 176.5 0.20 . 1 . . . A 133 ALA C . 17431 1 1089 . 1 1 104 104 ALA CA C 13 52.4 0.20 . 1 . . . A 133 ALA CA . 17431 1 1090 . 1 1 104 104 ALA CB C 13 19.8 0.20 . 1 . . . A 133 ALA CB . 17431 1 1091 . 1 1 104 104 ALA N N 15 126.7 0.20 . 1 . . . A 133 ALA N . 17431 1 1092 . 1 1 105 105 LYS H H 1 7.94 0.03 . 1 . . . A 134 LYS H . 17431 1 1093 . 1 1 105 105 LYS HA H 1 4.15 0.03 . 1 . . . A 134 LYS HA . 17431 1 1094 . 1 1 105 105 LYS HB2 H 1 1.73 0.03 . 2 . . . A 134 LYS HB2 . 17431 1 1095 . 1 1 105 105 LYS HB3 H 1 1.82 0.03 . 2 . . . A 134 LYS HB3 . 17431 1 1096 . 1 1 105 105 LYS HG2 H 1 1.41 0.03 . 2 . . . A 134 LYS HG2 . 17431 1 1097 . 1 1 105 105 LYS HG3 H 1 1.77 0.03 . 2 . . . A 134 LYS HG3 . 17431 1 1098 . 1 1 105 105 LYS C C 13 181.2 0.20 . 1 . . . A 134 LYS C . 17431 1 1099 . 1 1 105 105 LYS CA C 13 57.7 0.20 . 1 . . . A 134 LYS CA . 17431 1 1100 . 1 1 105 105 LYS CB C 13 33.8 0.20 . 1 . . . A 134 LYS CB . 17431 1 1101 . 1 1 105 105 LYS N N 15 125.8 0.20 . 1 . . . A 134 LYS N . 17431 1 stop_ save_