data_15740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15740 _Entry.Title ; Structure ensemble Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments, 1H-15N RDCs and 1H-1H nOe restraints for protein K7 from the Vaccinia virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-22 _Entry.Accession_date 2008-04-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Arnout Kalverda . P. . 15740 2 Gary Thompson . S. . 15740 3 Andre Vogel . . . 15740 4 Martina 'Schr der' . . . 15740 5 Andrew Bowie . G. . 15740 6 Amir Khan . R. . 15740 7 Steve Homans . W. . 15740 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Bowie group, School of Biochemistry and Immunology, Trinity College, Dublin, Ireland' . 15740 . . 'Khan group, School of Biochemistry and Immunology, Trinity College Dublin, Dublin, Ireland' . 15740 1 . 'Homans group, Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, UK' . 15740 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 15740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15740 RDCs 1 15740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 15740 '15N chemical shifts' 145 15740 '1H chemical shifts' 941 15740 'residual dipolar couplings' 70 15740 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 3 . . 2010-06-02 2008-04-22 update BMRB 'edit assembly name' 15740 2 . . 2009-02-23 2008-04-22 update BMRB 'complete entry citation' 15740 1 . . 2008-11-11 2008-04-22 original author 'original release' 15740 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K36 'BMRB Entry Tracking System' 15740 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15740 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18845156 _Citation.Full_citation . _Citation.Title 'Poxvirus K7 protein adopts a Bcl-2 fold: Biochemical mapping of its interactions with human DEAD box RNA helicase DDX3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 385 _Citation.Journal_issue 3 _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 843 _Citation.Page_last 853 _Citation.Year 2009 _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 Arnout Kalverda . P. . 15740 1 2 Gary Thompson . S. . 15740 1 3 Andre Vogel . . . 15740 1 4 Martina Schroeder . . . 15740 1 5 Andrew Bowie . G. . 15740 1 6 Amir Khan . R. . 15740 1 7 Steve Homans . W. . 15740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15740 _Assembly.ID 1 _Assembly.Name 'protein K7 from the Vaccinia virus' _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 K7 1 $K7 A . yes native no no . . . 15740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K7 _Entity.Sf_category entity _Entity.Sf_framecode K7 _Entity.Entry_ID 15740 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K7 _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 ; GAMEDAVFYFVDDDKICSRD SIIDLIDEYITWRNHVIVFN KDITSCGRLYKELMKFDDVA IRYYGIDKINEIVEAMSEGD HYINFTKVHDQESLFATIGI CAKITEHWGYKKISESRFQS LGNITDLMTDDNINILILFL EKKLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; G A M E,8 D,9 A,10 V,11 F,12 ; _Entity.Polymer_author_seq_details 'The sequence matches the natural polymer from residue 4 onwards which is equivalent to residue 8 in the natural sequence The GAM n-terminal tag is an expression artifact' _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17489.023 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K36 . "Structure Ensemble Backbone And Side-Chain 1h, 13c, And 15n Chemical Shift Assignments, 1h-15n Rdcs And 1h-1h Noe Restraints Fo" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 2 no PDB 3JRV . "Structure Of Poxvirus K7 Protein In Complex With Rna Helicase Ddx3" . . . . . 97.93 149 97.89 97.89 1.47e-93 . . . . 15740 1 3 no DBJ BAA00293 . "ORF K7 [Vaccinia virus]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 4 no EMBL CAA48965 . "C4R [Variola virus]" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 5 no EMBL CAA64114 . "M6R protein [Cowpox virus]" . . . . . 97.93 161 97.18 98.59 4.69e-94 . . . . 15740 1 6 no EMBL CAB54624 . "P4R protein [Variola minor virus]" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 7 no EMBL CAM58208 . "17.5k hypothetical protein [Vaccinia virus Ankara]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 8 no EMBL CRL86498 . "CPXV046 protein [Cowpox virus]" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 9 no GB AAA48013 . "putative K7R [Vaccinia virus Copenhagen]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 10 no GB AAA60772 . "homolog of vaccinia virus CDS K7R; putative [Variola major virus]" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 11 no GB AAB96484 . "putative 17.5k protein [Vaccinia virus]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 12 no GB AAF33890 . "TK8R [Vaccinia virus Tian Tan]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 13 no GB AAO89318 . "unknown [Vaccinia virus WR]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 14 no PRF 2015436AB . "C4R gene" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 15 no REF NP_042068 . "unchracterized protein [Variola virus]" . . . . . 97.93 149 97.18 98.59 3.70e-94 . . . . 15740 1 16 no REF YP_232921 . "hypothetical protein VACWR039 [Vaccinia virus]" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 17 no SP P68466 . "RecName: Full=Protein K7" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 18 no SP P68467 . "RecName: Full=Protein K7" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 19 no SP Q76ZX2 . "RecName: Full=Protein K7" . . . . . 97.93 149 100.00 100.00 1.38e-96 . . . . 15740 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'immune evasion' 15740 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 5 GLY . 15740 1 2 6 ALA . 15740 1 3 7 MET . 15740 1 4 8 GLU . 15740 1 5 9 ASP . 15740 1 6 10 ALA . 15740 1 7 11 VAL . 15740 1 8 12 PHE . 15740 1 9 13 TYR . 15740 1 10 14 PHE . 15740 1 11 15 VAL . 15740 1 12 16 ASP . 15740 1 13 17 ASP . 15740 1 14 18 ASP . 15740 1 15 19 LYS . 15740 1 16 20 ILE . 15740 1 17 21 CYS . 15740 1 18 22 SER . 15740 1 19 23 ARG . 15740 1 20 24 ASP . 15740 1 21 25 SER . 15740 1 22 26 ILE . 15740 1 23 27 ILE . 15740 1 24 28 ASP . 15740 1 25 29 LEU . 15740 1 26 30 ILE . 15740 1 27 31 ASP . 15740 1 28 32 GLU . 15740 1 29 33 TYR . 15740 1 30 34 ILE . 15740 1 31 35 THR . 15740 1 32 36 TRP . 15740 1 33 37 ARG . 15740 1 34 38 ASN . 15740 1 35 39 HIS . 15740 1 36 40 VAL . 15740 1 37 41 ILE . 15740 1 38 42 VAL . 15740 1 39 43 PHE . 15740 1 40 44 ASN . 15740 1 41 45 LYS . 15740 1 42 46 ASP . 15740 1 43 47 ILE . 15740 1 44 48 THR . 15740 1 45 49 SER . 15740 1 46 50 CYS . 15740 1 47 51 GLY . 15740 1 48 52 ARG . 15740 1 49 53 LEU . 15740 1 50 54 TYR . 15740 1 51 55 LYS . 15740 1 52 56 GLU . 15740 1 53 57 LEU . 15740 1 54 58 MET . 15740 1 55 59 LYS . 15740 1 56 60 PHE . 15740 1 57 61 ASP . 15740 1 58 62 ASP . 15740 1 59 63 VAL . 15740 1 60 64 ALA . 15740 1 61 65 ILE . 15740 1 62 66 ARG . 15740 1 63 67 TYR . 15740 1 64 68 TYR . 15740 1 65 69 GLY . 15740 1 66 70 ILE . 15740 1 67 71 ASP . 15740 1 68 72 LYS . 15740 1 69 73 ILE . 15740 1 70 74 ASN . 15740 1 71 75 GLU . 15740 1 72 76 ILE . 15740 1 73 77 VAL . 15740 1 74 78 GLU . 15740 1 75 79 ALA . 15740 1 76 80 MET . 15740 1 77 81 SER . 15740 1 78 82 GLU . 15740 1 79 83 GLY . 15740 1 80 84 ASP . 15740 1 81 85 HIS . 15740 1 82 86 TYR . 15740 1 83 87 ILE . 15740 1 84 88 ASN . 15740 1 85 89 PHE . 15740 1 86 90 THR . 15740 1 87 91 LYS . 15740 1 88 92 VAL . 15740 1 89 93 HIS . 15740 1 90 94 ASP . 15740 1 91 95 GLN . 15740 1 92 96 GLU . 15740 1 93 97 SER . 15740 1 94 98 LEU . 15740 1 95 99 PHE . 15740 1 96 100 ALA . 15740 1 97 101 THR . 15740 1 98 102 ILE . 15740 1 99 103 GLY . 15740 1 100 104 ILE . 15740 1 101 105 CYS . 15740 1 102 106 ALA . 15740 1 103 107 LYS . 15740 1 104 108 ILE . 15740 1 105 109 THR . 15740 1 106 110 GLU . 15740 1 107 111 HIS . 15740 1 108 112 TRP . 15740 1 109 113 GLY . 15740 1 110 114 TYR . 15740 1 111 115 LYS . 15740 1 112 116 LYS . 15740 1 113 117 ILE . 15740 1 114 118 SER . 15740 1 115 119 GLU . 15740 1 116 120 SER . 15740 1 117 121 ARG . 15740 1 118 122 PHE . 15740 1 119 123 GLN . 15740 1 120 124 SER . 15740 1 121 125 LEU . 15740 1 122 126 GLY . 15740 1 123 127 ASN . 15740 1 124 128 ILE . 15740 1 125 129 THR . 15740 1 126 130 ASP . 15740 1 127 131 LEU . 15740 1 128 132 MET . 15740 1 129 133 THR . 15740 1 130 134 ASP . 15740 1 131 135 ASP . 15740 1 132 136 ASN . 15740 1 133 137 ILE . 15740 1 134 138 ASN . 15740 1 135 139 ILE . 15740 1 136 140 LEU . 15740 1 137 141 ILE . 15740 1 138 142 LEU . 15740 1 139 143 PHE . 15740 1 140 144 LEU . 15740 1 141 145 GLU . 15740 1 142 146 LYS . 15740 1 143 147 LYS . 15740 1 144 148 LEU . 15740 1 145 149 ASN . 15740 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15740 1 . ALA 2 2 15740 1 . MET 3 3 15740 1 . GLU 4 4 15740 1 . ASP 5 5 15740 1 . ALA 6 6 15740 1 . VAL 7 7 15740 1 . PHE 8 8 15740 1 . TYR 9 9 15740 1 . PHE 10 10 15740 1 . VAL 11 11 15740 1 . ASP 12 12 15740 1 . ASP 13 13 15740 1 . ASP 14 14 15740 1 . LYS 15 15 15740 1 . ILE 16 16 15740 1 . CYS 17 17 15740 1 . SER 18 18 15740 1 . ARG 19 19 15740 1 . ASP 20 20 15740 1 . SER 21 21 15740 1 . ILE 22 22 15740 1 . ILE 23 23 15740 1 . ASP 24 24 15740 1 . LEU 25 25 15740 1 . ILE 26 26 15740 1 . ASP 27 27 15740 1 . GLU 28 28 15740 1 . TYR 29 29 15740 1 . ILE 30 30 15740 1 . THR 31 31 15740 1 . TRP 32 32 15740 1 . ARG 33 33 15740 1 . ASN 34 34 15740 1 . HIS 35 35 15740 1 . VAL 36 36 15740 1 . ILE 37 37 15740 1 . VAL 38 38 15740 1 . PHE 39 39 15740 1 . ASN 40 40 15740 1 . LYS 41 41 15740 1 . ASP 42 42 15740 1 . ILE 43 43 15740 1 . THR 44 44 15740 1 . SER 45 45 15740 1 . CYS 46 46 15740 1 . GLY 47 47 15740 1 . ARG 48 48 15740 1 . LEU 49 49 15740 1 . TYR 50 50 15740 1 . LYS 51 51 15740 1 . GLU 52 52 15740 1 . LEU 53 53 15740 1 . MET 54 54 15740 1 . LYS 55 55 15740 1 . PHE 56 56 15740 1 . ASP 57 57 15740 1 . ASP 58 58 15740 1 . VAL 59 59 15740 1 . ALA 60 60 15740 1 . ILE 61 61 15740 1 . ARG 62 62 15740 1 . TYR 63 63 15740 1 . TYR 64 64 15740 1 . GLY 65 65 15740 1 . ILE 66 66 15740 1 . ASP 67 67 15740 1 . LYS 68 68 15740 1 . ILE 69 69 15740 1 . ASN 70 70 15740 1 . GLU 71 71 15740 1 . ILE 72 72 15740 1 . VAL 73 73 15740 1 . GLU 74 74 15740 1 . ALA 75 75 15740 1 . MET 76 76 15740 1 . SER 77 77 15740 1 . GLU 78 78 15740 1 . GLY 79 79 15740 1 . ASP 80 80 15740 1 . HIS 81 81 15740 1 . TYR 82 82 15740 1 . ILE 83 83 15740 1 . ASN 84 84 15740 1 . PHE 85 85 15740 1 . THR 86 86 15740 1 . LYS 87 87 15740 1 . VAL 88 88 15740 1 . HIS 89 89 15740 1 . ASP 90 90 15740 1 . GLN 91 91 15740 1 . GLU 92 92 15740 1 . SER 93 93 15740 1 . LEU 94 94 15740 1 . PHE 95 95 15740 1 . ALA 96 96 15740 1 . THR 97 97 15740 1 . ILE 98 98 15740 1 . GLY 99 99 15740 1 . ILE 100 100 15740 1 . CYS 101 101 15740 1 . ALA 102 102 15740 1 . LYS 103 103 15740 1 . ILE 104 104 15740 1 . THR 105 105 15740 1 . GLU 106 106 15740 1 . HIS 107 107 15740 1 . TRP 108 108 15740 1 . GLY 109 109 15740 1 . TYR 110 110 15740 1 . LYS 111 111 15740 1 . LYS 112 112 15740 1 . ILE 113 113 15740 1 . SER 114 114 15740 1 . GLU 115 115 15740 1 . SER 116 116 15740 1 . ARG 117 117 15740 1 . PHE 118 118 15740 1 . GLN 119 119 15740 1 . SER 120 120 15740 1 . LEU 121 121 15740 1 . GLY 122 122 15740 1 . ASN 123 123 15740 1 . ILE 124 124 15740 1 . THR 125 125 15740 1 . ASP 126 126 15740 1 . LEU 127 127 15740 1 . MET 128 128 15740 1 . THR 129 129 15740 1 . ASP 130 130 15740 1 . ASP 131 131 15740 1 . ASN 132 132 15740 1 . ILE 133 133 15740 1 . ASN 134 134 15740 1 . ILE 135 135 15740 1 . LEU 136 136 15740 1 . ILE 137 137 15740 1 . LEU 138 138 15740 1 . PHE 139 139 15740 1 . LEU 140 140 15740 1 . GLU 141 141 15740 1 . LYS 142 142 15740 1 . LYS 143 143 15740 1 . LEU 144 144 15740 1 . ASN 145 145 15740 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 15740 _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 $K7 . 10245 virus . 'Vaccinia Virus' 'Vaccinia Virus' . . Viruses . Vaccinia Virus 'WR Western Reserve' . . . . . . . . . . . . . . . K7R . . . . 15740 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 15740 _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 $K7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15 . . . 'the pET15 vector was modified to replace the thrombin cleavage site with an rTEV cleavage site' . . 15740 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_K7D8_UCN _Sample.Sf_category sample _Sample.Sf_framecode K7D8_UCN _Sample.Entry_ID 15740 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K7D8 '[U-13C; U-15N]' . . 1 $K7 . . 0.8 . . mM . . . . 15740 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15740 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15740 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15740 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15740 1 6 D2O . . . . . . . 10 . . % . . . . 15740 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15740 1 stop_ save_ save_K7D8_UN _Sample.Sf_category sample _Sample.Sf_framecode K7D8_UN _Sample.Entry_ID 15740 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K7D8 [U-15N] . . 1 $K7 . . 0.8 . . mM . . . . 15740 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15740 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15740 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15740 2 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15740 2 6 D2O . . . . . . . 10 . . % . . . . 15740 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15740 2 stop_ save_ save_K7D8_UN_PF1 _Sample.Sf_category sample _Sample.Sf_framecode K7D8_UN_PF1 _Sample.Entry_ID 15740 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K7D8 [U-15N] . . 1 $K7 . . 0.8 . . mM . . . . 15740 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15740 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15740 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15740 3 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15740 3 6 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/ml . . . . 15740 3 7 D2O . . . . . . . 10 . . % . . . . 15740 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15740 3 stop_ save_ ####################### # Sample conditions # ####################### save_K7R_CONDITIONS_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode K7R_CONDITIONS_1 _Sample_condition_list.Entry_ID 15740 _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' 122.5 . mM 15740 1 pH 7.0 0.05 pH 15740 1 pressure 1 . atm 15740 1 temperature 298 . K 15740 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15740 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian ; Varian, Inc. Corporate Headquarters 3120 Hansen Way Palo Alto, CA 9 ; custserv@varianinc.com 15740 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'nmr data collection' 15740 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15740 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.5 Rev 2006.184.15.37' _Software.Details 'Nmrpipe used for data nmr processing DC module used to calculate RDC Da & Dr parameters' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Frank Delaglio NIH Laboratory of Chemical Physics, NIDDK, NIH Building 31. Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA ; delaglio@nih.gov 15740 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'determination of RDC Da & Dr parameters' 15740 2 processing 15740 2 stop_ save_ save_ccpn_analysis _Software.Sf_category software _Software.Sf_framecode ccpn_analysis _Software.Entry_ID 15740 _Software.ID 3 _Software.Name ccpn_analysis _Software.Version 1.0.9-1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN ; Sanger Building Department of Biochemistry University of Cambridge 80 Tennis Court Road Old Addenbrookes Site Cambridge CB2 1GA ; ccpn@mole.bio.cam.ac.uk 15740 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15740 3 'peak picking' 15740 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15740 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.17 _Software.Details 'PASD/MARVIN protcol' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' ; Marius Clore, John Kuszewski, & Charles D. Schwieters, NIH Laboratory of Chemical Physics, NIDDK, NIH ; xplor-nih@nmr.cit.nih.gov 15740 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15740 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15740 _Software.ID 5 _Software.Name ARIA _Software.Version 2.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' ; Michael Nilges Institut Pasteur 25-28 rue du Dr Roux 75015 Paris FRANCE ; nilges@pasteur.fr 15740 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15740 5 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15740 _Software.ID 6 _Software.Name NMRView _Software.Version 5.22 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' ; One Moon Scientific Inc EDC III 211 Warren St Newark, NJ 07103-3568 ; info@onemoonscientific.com 15740 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'rdc data analysis' 15740 6 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 15740 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15740 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15740 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15740 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 cryoprobe . . 15740 1 2 spectrometer_2 Varian INOVA . 600 . . . 15740 1 3 spectrometer_3 Varian INOVA . 500 . . . 15740 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 15740 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of TALOS dihedral, 1H-1H nOe and residual dipolar coupling restraints' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $K7D8_UN isotropic . . 1 $K7R_CONDITIONS_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15740 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 3 '3D HNCA' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15740 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15740 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15740 1 6 '3D HNCO' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 7 '3D HNHA' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $K7D8_UN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15740 1 10 '2D 1H-13C constant time aromatic selected HSQC' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 11 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 12 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 13 '2D HB(CBCGCD)HD' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15740 1 14 '2D HB(CBCGCDCE)HE' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15740 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 16 '2D j modulated 1H-15N HSQC' no . . . . . . . . . . 2 $K7D8_UN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 17 '2D 1H-(13C)-1H aromatic optimised 13C filtered (HSQC) NOESY' no . . . . . . . . . . 1 $K7D8_UCN isotropic . . 1 $K7R_CONDITIONS_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15740 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_K7D8_REF_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode K7D8_REF_1 _Chem_shift_reference.Entry_ID 15740 _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 15740 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15740 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15740 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_K7D8_SHIFT_LIST_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode K7D8_SHIFT_LIST_1 _Assigned_chem_shift_list.Entry_ID 15740 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $K7R_CONDITIONS_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $K7D8_REF_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.0113 _Assigned_chem_shift_list.Chem_shift_13C_err 0.0447 _Assigned_chem_shift_list.Chem_shift_15N_err 0.0780 _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 'derived from mean standard deviations of shifts measured from multiple peaks' _Assigned_chem_shift_list.Details ; standard deviations of estimated errors are 1H 0.012 15N 0.036 13C 0.05 ; _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' . . . 15740 1 2 '2D 1H-13C HSQC' . . . 15740 1 3 '3D HNCA' . . . 15740 1 4 '3D HN(CO)CA' . . . 15740 1 5 '3D CBCA(CO)NH' . . . 15740 1 6 '3D HNCO' . . . 15740 1 7 '3D HNHA' . . . 15740 1 8 '3D 1H-15N NOESY' . . . 15740 1 10 '2D 1H-13C constant time aromatic selected HSQC' . . . 15740 1 11 '3D H(C)CH-TOCSY' . . . 15740 1 12 '3D (H)CCH-TOCSY' . . . 15740 1 13 '2D HB(CBCGCD)HD' . . . 15740 1 14 '2D HB(CBCGCDCE)HE' . . . 15740 1 15 '3D 1H-13C NOESY' . . . 15740 1 17 '2D 1H-(13C)-1H aromatic optimised 13C filtered (HSQC) NOESY' . . . 15740 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $ccpn_analysis . . 15740 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 2 2 ALA C C 13 178.150 0.0447 . 1 . . . . 6 ALA C . 15740 1 2 . 1 1 2 2 ALA CA C 13 52.860 0.0447 . 1 . . . . 6 ALA CA . 15740 1 3 . 1 1 2 2 ALA CB C 13 19.498 0.0447 . 1 . . . . 6 ALA CB . 15740 1 4 . 1 1 3 3 MET H H 1 8.597 0.0070 . 1 . . . . 7 MET H . 15740 1 5 . 1 1 3 3 MET C C 13 176.691 0.0447 . 1 . . . . 7 MET C . 15740 1 6 . 1 1 3 3 MET CA C 13 56.345 0.0447 . 1 . . . . 7 MET CA . 15740 1 7 . 1 1 3 3 MET CB C 13 32.799 0.0447 . 1 . . . . 7 MET CB . 15740 1 8 . 1 1 3 3 MET N N 15 119.862 0.0160 . 1 . . . . 7 MET N . 15740 1 9 . 1 1 4 4 GLU H H 1 8.577 0.0070 . 1 . . . . 8 GLU H . 15740 1 10 . 1 1 4 4 GLU HA H 1 3.668 0.0080 . 1 . . . . 8 GLU HA . 15740 1 11 . 1 1 4 4 GLU HB2 H 1 1.869 0.0150 . 1 . . . . 8 GLU HB2 . 15740 1 12 . 1 1 4 4 GLU HB3 H 1 1.852 0.0230 . 1 . . . . 8 GLU HB3 . 15740 1 13 . 1 1 4 4 GLU HG2 H 1 2.180 0.0050 . 1 . . . . 8 GLU HG2 . 15740 1 14 . 1 1 4 4 GLU HG3 H 1 2.051 0.0050 . 1 . . . . 8 GLU HG3 . 15740 1 15 . 1 1 4 4 GLU C C 13 176.292 0.0447 . 1 . . . . 8 GLU C . 15740 1 16 . 1 1 4 4 GLU CA C 13 57.913 0.0960 . 1 . . . . 8 GLU CA . 15740 1 17 . 1 1 4 4 GLU CB C 13 29.539 0.0590 . 1 . . . . 8 GLU CB . 15740 1 18 . 1 1 4 4 GLU CG C 13 36.195 0.0720 . 1 . . . . 8 GLU CG . 15740 1 19 . 1 1 4 4 GLU N N 15 121.084 0.0250 . 1 . . . . 8 GLU N . 15740 1 20 . 1 1 5 5 ASP H H 1 8.012 0.0050 . 1 . . . . 9 ASP H . 15740 1 21 . 1 1 5 5 ASP HA H 1 4.527 0.0100 . 1 . . . . 9 ASP HA . 15740 1 22 . 1 1 5 5 ASP HB2 H 1 2.597 0.0250 . 1 . . . . 9 ASP HB2 . 15740 1 23 . 1 1 5 5 ASP HB3 H 1 2.578 0.0090 . 1 . . . . 9 ASP HB3 . 15740 1 24 . 1 1 5 5 ASP C C 13 175.569 0.0447 . 1 . . . . 9 ASP C . 15740 1 25 . 1 1 5 5 ASP CA C 13 53.885 0.0980 . 1 . . . . 9 ASP CA . 15740 1 26 . 1 1 5 5 ASP CB C 13 40.556 0.1070 . 1 . . . . 9 ASP CB . 15740 1 27 . 1 1 5 5 ASP N N 15 118.922 0.0330 . 1 . . . . 9 ASP N . 15740 1 28 . 1 1 6 6 ALA H H 1 7.521 0.0050 . 1 . . . . 10 ALA H . 15740 1 29 . 1 1 6 6 ALA HA H 1 3.987 0.0070 . 1 . . . . 10 ALA HA . 15740 1 30 . 1 1 6 6 ALA HB1 H 1 1.102 0.0030 . 1 . . . . 10 ALA HB1 . 15740 1 31 . 1 1 6 6 ALA HB2 H 1 1.102 0.0030 . 1 . . . . 10 ALA HB2 . 15740 1 32 . 1 1 6 6 ALA HB3 H 1 1.102 0.0030 . 1 . . . . 10 ALA HB3 . 15740 1 33 . 1 1 6 6 ALA C C 13 175.823 0.0447 . 1 . . . . 10 ALA C . 15740 1 34 . 1 1 6 6 ALA CA C 13 52.498 0.0660 . 1 . . . . 10 ALA CA . 15740 1 35 . 1 1 6 6 ALA CB C 13 19.609 0.0380 . 1 . . . . 10 ALA CB . 15740 1 36 . 1 1 6 6 ALA N N 15 123.502 0.0390 . 1 . . . . 10 ALA N . 15740 1 37 . 1 1 7 7 VAL H H 1 7.678 0.0040 . 1 . . . . 11 VAL H . 15740 1 38 . 1 1 7 7 VAL HA H 1 3.733 0.0050 . 1 . . . . 11 VAL HA . 15740 1 39 . 1 1 7 7 VAL HB H 1 1.523 0.0040 . 1 . . . . 11 VAL HB . 15740 1 40 . 1 1 7 7 VAL HG11 H 1 0.663 0.0080 . 1 . . . . 11 VAL HG11 . 15740 1 41 . 1 1 7 7 VAL HG12 H 1 0.663 0.0080 . 1 . . . . 11 VAL HG12 . 15740 1 42 . 1 1 7 7 VAL HG13 H 1 0.663 0.0080 . 1 . . . . 11 VAL HG13 . 15740 1 43 . 1 1 7 7 VAL HG21 H 1 0.269 0.0040 . 1 . . . . 11 VAL HG21 . 15740 1 44 . 1 1 7 7 VAL HG22 H 1 0.269 0.0040 . 1 . . . . 11 VAL HG22 . 15740 1 45 . 1 1 7 7 VAL HG23 H 1 0.269 0.0040 . 1 . . . . 11 VAL HG23 . 15740 1 46 . 1 1 7 7 VAL C C 13 173.870 0.0447 . 1 . . . . 11 VAL C . 15740 1 47 . 1 1 7 7 VAL CA C 13 61.404 0.0820 . 1 . . . . 11 VAL CA . 15740 1 48 . 1 1 7 7 VAL CB C 13 33.433 0.1570 . 1 . . . . 11 VAL CB . 15740 1 49 . 1 1 7 7 VAL CG1 C 13 20.732 0.0870 . 1 . . . . 11 VAL CG1 . 15740 1 50 . 1 1 7 7 VAL CG2 C 13 20.404 0.1040 . 1 . . . . 11 VAL CG2 . 15740 1 51 . 1 1 7 7 VAL N N 15 120.853 0.0170 . 1 . . . . 11 VAL N . 15740 1 52 . 1 1 8 8 PHE H H 1 8.076 0.0020 . 1 . . . . 12 PHE H . 15740 1 53 . 1 1 8 8 PHE HA H 1 4.416 0.0020 . 1 . . . . 12 PHE HA . 15740 1 54 . 1 1 8 8 PHE HB2 H 1 3.016 0.0150 . 1 . . . . 12 PHE HB2 . 15740 1 55 . 1 1 8 8 PHE HB3 H 1 2.642 0.0020 . 1 . . . . 12 PHE HB3 . 15740 1 56 . 1 1 8 8 PHE HD1 H 1 7.259 0.0130 . 3 . . . . 12 PHE HD1 . 15740 1 57 . 1 1 8 8 PHE HD2 H 1 7.259 0.0130 . 3 . . . . 12 PHE HD2 . 15740 1 58 . 1 1 8 8 PHE HE1 H 1 6.882 0.0180 . 3 . . . . 12 PHE HE1 . 15740 1 59 . 1 1 8 8 PHE HE2 H 1 6.882 0.0180 . 3 . . . . 12 PHE HE2 . 15740 1 60 . 1 1 8 8 PHE HZ H 1 6.672 0.0120 . 1 . . . . 12 PHE HZ . 15740 1 61 . 1 1 8 8 PHE C C 13 175.600 0.0447 . 1 . . . . 12 PHE C . 15740 1 62 . 1 1 8 8 PHE CA C 13 56.764 0.0020 . 1 . . . . 12 PHE CA . 15740 1 63 . 1 1 8 8 PHE CB C 13 39.973 0.0780 . 1 . . . . 12 PHE CB . 15740 1 64 . 1 1 8 8 PHE CD1 C 13 132.709 0.0447 . 3 . . . . 12 PHE CD1 . 15740 1 65 . 1 1 8 8 PHE CD2 C 13 132.709 0.0447 . 3 . . . . 12 PHE CD2 . 15740 1 66 . 1 1 8 8 PHE CE1 C 13 131.691 0.0447 . 3 . . . . 12 PHE CE1 . 15740 1 67 . 1 1 8 8 PHE CE2 C 13 131.691 0.0447 . 3 . . . . 12 PHE CE2 . 15740 1 68 . 1 1 8 8 PHE CZ C 13 132.598 0.0447 . 1 . . . . 12 PHE CZ . 15740 1 69 . 1 1 8 8 PHE N N 15 125.255 0.0260 . 1 . . . . 12 PHE N . 15740 1 70 . 1 1 9 9 TYR H H 1 10.825 0.0070 . 1 . . . . 13 TYR H . 15740 1 71 . 1 1 9 9 TYR HA H 1 3.978 0.0060 . 1 . . . . 13 TYR HA . 15740 1 72 . 1 1 9 9 TYR HB2 H 1 2.301 0.0060 . 1 . . . . 13 TYR HB2 . 15740 1 73 . 1 1 9 9 TYR HB3 H 1 2.132 0.0030 . 1 . . . . 13 TYR HB3 . 15740 1 74 . 1 1 9 9 TYR C C 13 178.584 0.0447 . 1 . . . . 13 TYR C . 15740 1 75 . 1 1 9 9 TYR CA C 13 61.178 0.0800 . 1 . . . . 13 TYR CA . 15740 1 76 . 1 1 9 9 TYR CB C 13 38.676 0.0670 . 1 . . . . 13 TYR CB . 15740 1 77 . 1 1 9 9 TYR N N 15 125.540 0.0290 . 1 . . . . 13 TYR N . 15740 1 78 . 1 1 10 10 PHE H H 1 10.520 0.0050 . 1 . . . . 14 PHE H . 15740 1 79 . 1 1 10 10 PHE HA H 1 4.830 0.0060 . 1 . . . . 14 PHE HA . 15740 1 80 . 1 1 10 10 PHE HB2 H 1 3.396 0.0090 . 1 . . . . 14 PHE HB2 . 15740 1 81 . 1 1 10 10 PHE HB3 H 1 3.072 0.1540 . 1 . . . . 14 PHE HB3 . 15740 1 82 . 1 1 10 10 PHE HD1 H 1 7.463 0.0070 . 3 . . . . 14 PHE HD1 . 15740 1 83 . 1 1 10 10 PHE HD2 H 1 7.463 0.0070 . 3 . . . . 14 PHE HD2 . 15740 1 84 . 1 1 10 10 PHE HE1 H 1 7.288 0.0110 . 3 . . . . 14 PHE HE1 . 15740 1 85 . 1 1 10 10 PHE HE2 H 1 7.288 0.0110 . 3 . . . . 14 PHE HE2 . 15740 1 86 . 1 1 10 10 PHE HZ H 1 7.298 0.0070 . 1 . . . . 14 PHE HZ . 15740 1 87 . 1 1 10 10 PHE C C 13 176.440 0.0447 . 1 . . . . 14 PHE C . 15740 1 88 . 1 1 10 10 PHE CA C 13 57.728 0.0220 . 1 . . . . 14 PHE CA . 15740 1 89 . 1 1 10 10 PHE CB C 13 40.566 0.1600 . 1 . . . . 14 PHE CB . 15740 1 90 . 1 1 10 10 PHE CD1 C 13 132.575 0.0447 . 3 . . . . 14 PHE CD1 . 15740 1 91 . 1 1 10 10 PHE CD2 C 13 132.575 0.0447 . 3 . . . . 14 PHE CD2 . 15740 1 92 . 1 1 10 10 PHE CE1 C 13 130.854 0.0447 . 3 . . . . 14 PHE CE1 . 15740 1 93 . 1 1 10 10 PHE CE2 C 13 130.854 0.0447 . 3 . . . . 14 PHE CE2 . 15740 1 94 . 1 1 10 10 PHE CZ C 13 129.503 0.0447 . 1 . . . . 14 PHE CZ . 15740 1 95 . 1 1 10 10 PHE N N 15 119.054 0.0420 . 1 . . . . 14 PHE N . 15740 1 96 . 1 1 11 11 VAL H H 1 6.222 0.0050 . 1 . . . . 15 VAL H . 15740 1 97 . 1 1 11 11 VAL HA H 1 1.579 0.0090 . 1 . . . . 15 VAL HA . 15740 1 98 . 1 1 11 11 VAL HB H 1 1.292 0.0060 . 1 . . . . 15 VAL HB . 15740 1 99 . 1 1 11 11 VAL HG11 H 1 0.647 0.0040 . 1 . . . . 15 VAL HG11 . 15740 1 100 . 1 1 11 11 VAL HG12 H 1 0.647 0.0040 . 1 . . . . 15 VAL HG12 . 15740 1 101 . 1 1 11 11 VAL HG13 H 1 0.647 0.0040 . 1 . . . . 15 VAL HG13 . 15740 1 102 . 1 1 11 11 VAL HG21 H 1 0.267 0.0050 . 1 . . . . 15 VAL HG21 . 15740 1 103 . 1 1 11 11 VAL HG22 H 1 0.267 0.0050 . 1 . . . . 15 VAL HG22 . 15740 1 104 . 1 1 11 11 VAL HG23 H 1 0.267 0.0050 . 1 . . . . 15 VAL HG23 . 15740 1 105 . 1 1 11 11 VAL C C 13 172.957 0.0447 . 1 . . . . 15 VAL C . 15740 1 106 . 1 1 11 11 VAL CA C 13 62.956 0.0470 . 1 . . . . 15 VAL CA . 15740 1 107 . 1 1 11 11 VAL CB C 13 31.558 0.0590 . 1 . . . . 15 VAL CB . 15740 1 108 . 1 1 11 11 VAL CG1 C 13 18.838 0.0320 . 1 . . . . 15 VAL CG1 . 15740 1 109 . 1 1 11 11 VAL CG2 C 13 21.255 0.0490 . 1 . . . . 15 VAL CG2 . 15740 1 110 . 1 1 11 11 VAL N N 15 118.935 0.0200 . 1 . . . . 15 VAL N . 15740 1 111 . 1 1 12 12 ASP H H 1 7.981 0.0040 . 1 . . . . 16 ASP H . 15740 1 112 . 1 1 12 12 ASP HA H 1 4.730 0.0110 . 1 . . . . 16 ASP HA . 15740 1 113 . 1 1 12 12 ASP HB2 H 1 2.720 0.0110 . 1 . . . . 16 ASP HB2 . 15740 1 114 . 1 1 12 12 ASP HB3 H 1 2.318 0.0050 . 1 . . . . 16 ASP HB3 . 15740 1 115 . 1 1 12 12 ASP C C 13 176.661 0.0447 . 1 . . . . 16 ASP C . 15740 1 116 . 1 1 12 12 ASP CA C 13 54.000 0.0270 . 1 . . . . 16 ASP CA . 15740 1 117 . 1 1 12 12 ASP CB C 13 41.835 0.0940 . 1 . . . . 16 ASP CB . 15740 1 118 . 1 1 12 12 ASP N N 15 117.385 0.0370 . 1 . . . . 16 ASP N . 15740 1 119 . 1 1 13 13 ASP H H 1 7.413 0.0110 . 1 . . . . 17 ASP H . 15740 1 120 . 1 1 13 13 ASP HA H 1 4.440 0.0050 . 1 . . . . 17 ASP HA . 15740 1 121 . 1 1 13 13 ASP HB2 H 1 2.965 0.0090 . 1 . . . . 17 ASP HB2 . 15740 1 122 . 1 1 13 13 ASP HB3 H 1 2.736 0.0140 . 1 . . . . 17 ASP HB3 . 15740 1 123 . 1 1 13 13 ASP C C 13 177.147 0.0447 . 1 . . . . 17 ASP C . 15740 1 124 . 1 1 13 13 ASP CA C 13 56.086 0.0860 . 1 . . . . 17 ASP CA . 15740 1 125 . 1 1 13 13 ASP CB C 13 40.997 0.1700 . 1 . . . . 17 ASP CB . 15740 1 126 . 1 1 13 13 ASP N N 15 122.077 0.0180 . 1 . . . . 17 ASP N . 15740 1 127 . 1 1 14 14 ASP H H 1 9.039 0.0060 . 1 . . . . 18 ASP H . 15740 1 128 . 1 1 14 14 ASP HA H 1 4.891 0.0090 . 1 . . . . 18 ASP HA . 15740 1 129 . 1 1 14 14 ASP HB2 H 1 2.913 0.0160 . 1 . . . . 18 ASP HB2 . 15740 1 130 . 1 1 14 14 ASP HB3 H 1 2.558 0.0050 . 1 . . . . 18 ASP HB3 . 15740 1 131 . 1 1 14 14 ASP C C 13 173.757 0.0447 . 1 . . . . 18 ASP C . 15740 1 132 . 1 1 14 14 ASP CA C 13 54.274 0.0500 . 1 . . . . 18 ASP CA . 15740 1 133 . 1 1 14 14 ASP CB C 13 42.662 0.0770 . 1 . . . . 18 ASP CB . 15740 1 134 . 1 1 14 14 ASP N N 15 120.699 0.0350 . 1 . . . . 18 ASP N . 15740 1 135 . 1 1 15 15 LYS H H 1 7.377 0.0050 . 1 . . . . 19 LYS H . 15740 1 136 . 1 1 15 15 LYS HA H 1 4.645 0.0060 . 1 . . . . 19 LYS HA . 15740 1 137 . 1 1 15 15 LYS HB2 H 1 1.883 0.0040 . 1 . . . . 19 LYS HB2 . 15740 1 138 . 1 1 15 15 LYS HB3 H 1 1.753 0.0080 . 1 . . . . 19 LYS HB3 . 15740 1 139 . 1 1 15 15 LYS HD2 H 1 1.688 0.0220 . 1 . . . . 19 LYS HD2 . 15740 1 140 . 1 1 15 15 LYS HD3 H 1 1.687 0.0230 . 1 . . . . 19 LYS HD3 . 15740 1 141 . 1 1 15 15 LYS HE2 H 1 2.997 0.0110 . 1 . . . . 19 LYS HE2 . 15740 1 142 . 1 1 15 15 LYS HE3 H 1 2.998 0.0130 . 1 . . . . 19 LYS HE3 . 15740 1 143 . 1 1 15 15 LYS HG2 H 1 1.381 0.0060 . 1 . . . . 19 LYS HG2 . 15740 1 144 . 1 1 15 15 LYS HG3 H 1 1.380 0.0060 . 1 . . . . 19 LYS HG3 . 15740 1 145 . 1 1 15 15 LYS C C 13 175.073 0.0447 . 1 . . . . 19 LYS C . 15740 1 146 . 1 1 15 15 LYS CA C 13 53.927 0.0430 . 1 . . . . 19 LYS CA . 15740 1 147 . 1 1 15 15 LYS CB C 13 35.354 0.0480 . 1 . . . . 19 LYS CB . 15740 1 148 . 1 1 15 15 LYS CD C 13 28.972 0.1280 . 1 . . . . 19 LYS CD . 15740 1 149 . 1 1 15 15 LYS CE C 13 42.188 0.0530 . 1 . . . . 19 LYS CE . 15740 1 150 . 1 1 15 15 LYS CG C 13 24.219 0.1080 . 1 . . . . 19 LYS CG . 15740 1 151 . 1 1 15 15 LYS N N 15 117.160 0.0200 . 1 . . . . 19 LYS N . 15740 1 152 . 1 1 16 16 ILE H H 1 8.442 0.0050 . 1 . . . . 20 ILE H . 15740 1 153 . 1 1 16 16 ILE HA H 1 3.848 0.0140 . 1 . . . . 20 ILE HA . 15740 1 154 . 1 1 16 16 ILE HB H 1 1.584 0.0100 . 1 . . . . 20 ILE HB . 15740 1 155 . 1 1 16 16 ILE HD11 H 1 0.889 0.0090 . 1 . . . . 20 ILE HD11 . 15740 1 156 . 1 1 16 16 ILE HD12 H 1 0.889 0.0090 . 1 . . . . 20 ILE HD12 . 15740 1 157 . 1 1 16 16 ILE HD13 H 1 0.889 0.0090 . 1 . . . . 20 ILE HD13 . 15740 1 158 . 1 1 16 16 ILE HG12 H 1 1.600 0.0080 . 1 . . . . 20 ILE HG12 . 15740 1 159 . 1 1 16 16 ILE HG13 H 1 1.572 0.0290 . 1 . . . . 20 ILE HG13 . 15740 1 160 . 1 1 16 16 ILE HG21 H 1 0.903 0.0100 . 1 . . . . 20 ILE HG21 . 15740 1 161 . 1 1 16 16 ILE HG22 H 1 0.903 0.0100 . 1 . . . . 20 ILE HG22 . 15740 1 162 . 1 1 16 16 ILE HG23 H 1 0.903 0.0100 . 1 . . . . 20 ILE HG23 . 15740 1 163 . 1 1 16 16 ILE C C 13 173.320 0.0447 . 1 . . . . 20 ILE C . 15740 1 164 . 1 1 16 16 ILE CA C 13 60.825 0.0790 . 1 . . . . 20 ILE CA . 15740 1 165 . 1 1 16 16 ILE CB C 13 39.471 0.0550 . 1 . . . . 20 ILE CB . 15740 1 166 . 1 1 16 16 ILE CD1 C 13 16.210 0.0650 . 1 . . . . 20 ILE CD1 . 15740 1 167 . 1 1 16 16 ILE CG1 C 13 28.508 0.1320 . 1 . . . . 20 ILE CG1 . 15740 1 168 . 1 1 16 16 ILE CG2 C 13 17.310 0.0860 . 1 . . . . 20 ILE CG2 . 15740 1 169 . 1 1 16 16 ILE N N 15 119.222 0.0280 . 1 . . . . 20 ILE N . 15740 1 170 . 1 1 17 17 CYS H H 1 6.458 0.0100 . 1 . . . . 21 CYS H . 15740 1 171 . 1 1 17 17 CYS HA H 1 4.798 0.0130 . 1 . . . . 21 CYS HA . 15740 1 172 . 1 1 17 17 CYS HB2 H 1 3.280 0.0060 . 1 . . . . 21 CYS HB2 . 15740 1 173 . 1 1 17 17 CYS HB3 H 1 2.615 0.0050 . 1 . . . . 21 CYS HB3 . 15740 1 174 . 1 1 17 17 CYS C C 13 172.811 0.0447 . 1 . . . . 21 CYS C . 15740 1 175 . 1 1 17 17 CYS CA C 13 55.104 0.0180 . 1 . . . . 21 CYS CA . 15740 1 176 . 1 1 17 17 CYS CB C 13 30.790 0.0580 . 1 . . . . 21 CYS CB . 15740 1 177 . 1 1 17 17 CYS N N 15 119.997 0.0400 . 1 . . . . 21 CYS N . 15740 1 178 . 1 1 18 18 SER H H 1 8.390 0.0060 . 1 . . . . 22 SER H . 15740 1 179 . 1 1 18 18 SER HA H 1 4.327 0.0060 . 1 . . . . 22 SER HA . 15740 1 180 . 1 1 18 18 SER HB2 H 1 4.123 0.0040 . 1 . . . . 22 SER HB2 . 15740 1 181 . 1 1 18 18 SER HB3 H 1 3.883 0.0090 . 1 . . . . 22 SER HB3 . 15740 1 182 . 1 1 18 18 SER C C 13 176.303 0.0447 . 1 . . . . 22 SER C . 15740 1 183 . 1 1 18 18 SER CA C 13 57.950 0.0660 . 1 . . . . 22 SER CA . 15740 1 184 . 1 1 18 18 SER CB C 13 63.969 0.0510 . 1 . . . . 22 SER CB . 15740 1 185 . 1 1 18 18 SER N N 15 112.622 0.0160 . 1 . . . . 22 SER N . 15740 1 186 . 1 1 19 19 ARG H H 1 8.966 0.0150 . 1 . . . . 23 ARG H . 15740 1 187 . 1 1 19 19 ARG HA H 1 3.855 0.0100 . 1 . . . . 23 ARG HA . 15740 1 188 . 1 1 19 19 ARG HB2 H 1 1.914 0.0160 . 1 . . . . 23 ARG HB2 . 15740 1 189 . 1 1 19 19 ARG HB3 H 1 1.749 0.0090 . 1 . . . . 23 ARG HB3 . 15740 1 190 . 1 1 19 19 ARG HD2 H 1 3.225 0.0120 . 1 . . . . 23 ARG HD2 . 15740 1 191 . 1 1 19 19 ARG HD3 H 1 3.223 0.0120 . 1 . . . . 23 ARG HD3 . 15740 1 192 . 1 1 19 19 ARG HG2 H 1 1.677 0.0180 . 1 . . . . 23 ARG HG2 . 15740 1 193 . 1 1 19 19 ARG HG3 H 1 1.602 0.0710 . 1 . . . . 23 ARG HG3 . 15740 1 194 . 1 1 19 19 ARG C C 13 177.897 0.0447 . 1 . . . . 23 ARG C . 15740 1 195 . 1 1 19 19 ARG CA C 13 59.742 0.0660 . 1 . . . . 23 ARG CA . 15740 1 196 . 1 1 19 19 ARG CB C 13 29.718 0.1620 . 1 . . . . 23 ARG CB . 15740 1 197 . 1 1 19 19 ARG CD C 13 43.284 0.2240 . 1 . . . . 23 ARG CD . 15740 1 198 . 1 1 19 19 ARG CG C 13 27.575 0.0920 . 1 . . . . 23 ARG CG . 15740 1 199 . 1 1 19 19 ARG N N 15 125.291 0.0270 . 1 . . . . 23 ARG N . 15740 1 200 . 1 1 20 20 ASP H H 1 8.224 0.0050 . 1 . . . . 24 ASP H . 15740 1 201 . 1 1 20 20 ASP HA H 1 4.472 0.0130 . 1 . . . . 24 ASP HA . 15740 1 202 . 1 1 20 20 ASP HB2 H 1 2.759 0.0410 . 1 . . . . 24 ASP HB2 . 15740 1 203 . 1 1 20 20 ASP HB3 H 1 2.673 0.0330 . 1 . . . . 24 ASP HB3 . 15740 1 204 . 1 1 20 20 ASP C C 13 176.883 0.0447 . 1 . . . . 24 ASP C . 15740 1 205 . 1 1 20 20 ASP CA C 13 55.989 0.2310 . 1 . . . . 24 ASP CA . 15740 1 206 . 1 1 20 20 ASP CB C 13 40.154 0.1880 . 1 . . . . 24 ASP CB . 15740 1 207 . 1 1 20 20 ASP N N 15 115.435 0.0330 . 1 . . . . 24 ASP N . 15740 1 208 . 1 1 21 21 SER H H 1 7.865 0.0070 . 1 . . . . 25 SER H . 15740 1 209 . 1 1 21 21 SER HA H 1 4.841 0.0110 . 1 . . . . 25 SER HA . 15740 1 210 . 1 1 21 21 SER HB2 H 1 4.367 0.0090 . 1 . . . . 25 SER HB2 . 15740 1 211 . 1 1 21 21 SER HB3 H 1 3.831 0.0110 . 1 . . . . 25 SER HB3 . 15740 1 212 . 1 1 21 21 SER C C 13 173.468 0.0447 . 1 . . . . 25 SER C . 15740 1 213 . 1 1 21 21 SER CA C 13 59.347 0.0610 . 1 . . . . 25 SER CA . 15740 1 214 . 1 1 21 21 SER CB C 13 65.714 0.0380 . 1 . . . . 25 SER CB . 15740 1 215 . 1 1 21 21 SER N N 15 115.102 0.0190 . 1 . . . . 25 SER N . 15740 1 216 . 1 1 22 22 ILE H H 1 7.228 0.0060 . 1 . . . . 26 ILE H . 15740 1 217 . 1 1 22 22 ILE HA H 1 3.567 0.0090 . 1 . . . . 26 ILE HA . 15740 1 218 . 1 1 22 22 ILE HB H 1 2.139 0.0100 . 1 . . . . 26 ILE HB . 15740 1 219 . 1 1 22 22 ILE HD11 H 1 0.539 0.0070 . 1 . . . . 26 ILE HD11 . 15740 1 220 . 1 1 22 22 ILE HD12 H 1 0.539 0.0070 . 1 . . . . 26 ILE HD12 . 15740 1 221 . 1 1 22 22 ILE HD13 H 1 0.539 0.0070 . 1 . . . . 26 ILE HD13 . 15740 1 222 . 1 1 22 22 ILE HG12 H 1 1.657 0.0520 . 1 . . . . 26 ILE HG12 . 15740 1 223 . 1 1 22 22 ILE HG13 H 1 1.389 0.0100 . 1 . . . . 26 ILE HG13 . 15740 1 224 . 1 1 22 22 ILE HG21 H 1 0.846 0.0080 . 1 . . . . 26 ILE HG21 . 15740 1 225 . 1 1 22 22 ILE HG22 H 1 0.846 0.0080 . 1 . . . . 26 ILE HG22 . 15740 1 226 . 1 1 22 22 ILE HG23 H 1 0.846 0.0080 . 1 . . . . 26 ILE HG23 . 15740 1 227 . 1 1 22 22 ILE C C 13 176.303 0.0447 . 1 . . . . 26 ILE C . 15740 1 228 . 1 1 22 22 ILE CA C 13 62.100 0.0750 . 1 . . . . 26 ILE CA . 15740 1 229 . 1 1 22 22 ILE CB C 13 35.152 0.0630 . 1 . . . . 26 ILE CB . 15740 1 230 . 1 1 22 22 ILE CD1 C 13 9.760 0.0460 . 1 . . . . 26 ILE CD1 . 15740 1 231 . 1 1 22 22 ILE CG1 C 13 27.957 0.0900 . 1 . . . . 26 ILE CG1 . 15740 1 232 . 1 1 22 22 ILE CG2 C 13 19.378 0.0550 . 1 . . . . 26 ILE CG2 . 15740 1 233 . 1 1 22 22 ILE N N 15 121.947 0.0260 . 1 . . . . 26 ILE N . 15740 1 234 . 1 1 23 23 ILE H H 1 8.298 0.0040 . 1 . . . . 27 ILE H . 15740 1 235 . 1 1 23 23 ILE HA H 1 3.426 0.0100 . 1 . . . . 27 ILE HA . 15740 1 236 . 1 1 23 23 ILE HB H 1 1.853 0.0070 . 1 . . . . 27 ILE HB . 15740 1 237 . 1 1 23 23 ILE HD11 H 1 0.966 0.0190 . 1 . . . . 27 ILE HD11 . 15740 1 238 . 1 1 23 23 ILE HD12 H 1 0.966 0.0190 . 1 . . . . 27 ILE HD12 . 15740 1 239 . 1 1 23 23 ILE HD13 H 1 0.966 0.0190 . 1 . . . . 27 ILE HD13 . 15740 1 240 . 1 1 23 23 ILE HG12 H 1 1.677 0.0050 . 1 . . . . 27 ILE HG12 . 15740 1 241 . 1 1 23 23 ILE HG13 H 1 0.899 0.1900 . 1 . . . . 27 ILE HG13 . 15740 1 242 . 1 1 23 23 ILE HG21 H 1 0.866 0.0070 . 1 . . . . 27 ILE HG21 . 15740 1 243 . 1 1 23 23 ILE HG22 H 1 0.866 0.0070 . 1 . . . . 27 ILE HG22 . 15740 1 244 . 1 1 23 23 ILE HG23 H 1 0.866 0.0070 . 1 . . . . 27 ILE HG23 . 15740 1 245 . 1 1 23 23 ILE C C 13 176.769 0.0447 . 1 . . . . 27 ILE C . 15740 1 246 . 1 1 23 23 ILE CA C 13 67.055 0.0670 . 1 . . . . 27 ILE CA . 15740 1 247 . 1 1 23 23 ILE CB C 13 36.835 0.0760 . 1 . . . . 27 ILE CB . 15740 1 248 . 1 1 23 23 ILE CD1 C 13 13.786 0.0440 . 1 . . . . 27 ILE CD1 . 15740 1 249 . 1 1 23 23 ILE CG1 C 13 30.861 0.0950 . 1 . . . . 27 ILE CG1 . 15740 1 250 . 1 1 23 23 ILE CG2 C 13 17.577 0.0490 . 1 . . . . 27 ILE CG2 . 15740 1 251 . 1 1 23 23 ILE N N 15 120.369 0.0940 . 1 . . . . 27 ILE N . 15740 1 252 . 1 1 24 24 ASP H H 1 7.634 0.0030 . 1 . . . . 28 ASP H . 15740 1 253 . 1 1 24 24 ASP HA H 1 4.445 0.0070 . 1 . . . . 28 ASP HA . 15740 1 254 . 1 1 24 24 ASP HB2 H 1 2.970 0.0150 . 1 . . . . 28 ASP HB2 . 15740 1 255 . 1 1 24 24 ASP HB3 H 1 2.968 0.0140 . 1 . . . . 28 ASP HB3 . 15740 1 256 . 1 1 24 24 ASP C C 13 178.957 0.0447 . 1 . . . . 28 ASP C . 15740 1 257 . 1 1 24 24 ASP CA C 13 57.580 0.1330 . 1 . . . . 28 ASP CA . 15740 1 258 . 1 1 24 24 ASP CB C 13 40.086 0.0720 . 1 . . . . 28 ASP CB . 15740 1 259 . 1 1 24 24 ASP N N 15 119.261 0.0270 . 1 . . . . 28 ASP N . 15740 1 260 . 1 1 25 25 LEU H H 1 8.510 0.0080 . 1 . . . . 29 LEU H . 15740 1 261 . 1 1 25 25 LEU HA H 1 4.057 0.0080 . 1 . . . . 29 LEU HA . 15740 1 262 . 1 1 25 25 LEU HB2 H 1 2.084 0.0130 . 1 . . . . 29 LEU HB2 . 15740 1 263 . 1 1 25 25 LEU HB3 H 1 0.928 0.0070 . 1 . . . . 29 LEU HB3 . 15740 1 264 . 1 1 25 25 LEU HD11 H 1 0.800 0.0160 . 1 . . . . 29 LEU HD11 . 15740 1 265 . 1 1 25 25 LEU HD12 H 1 0.800 0.0160 . 1 . . . . 29 LEU HD12 . 15740 1 266 . 1 1 25 25 LEU HD13 H 1 0.800 0.0160 . 1 . . . . 29 LEU HD13 . 15740 1 267 . 1 1 25 25 LEU HD21 H 1 0.730 0.0190 . 1 . . . . 29 LEU HD21 . 15740 1 268 . 1 1 25 25 LEU HD22 H 1 0.730 0.0190 . 1 . . . . 29 LEU HD22 . 15740 1 269 . 1 1 25 25 LEU HD23 H 1 0.730 0.0190 . 1 . . . . 29 LEU HD23 . 15740 1 270 . 1 1 25 25 LEU HG H 1 1.216 0.0100 . 1 . . . . 29 LEU HG . 15740 1 271 . 1 1 25 25 LEU C C 13 176.868 0.0447 . 1 . . . . 29 LEU C . 15740 1 272 . 1 1 25 25 LEU CA C 13 58.429 0.0970 . 1 . . . . 29 LEU CA . 15740 1 273 . 1 1 25 25 LEU CB C 13 40.318 0.1190 . 1 . . . . 29 LEU CB . 15740 1 274 . 1 1 25 25 LEU CD1 C 13 23.895 0.0620 . 1 . . . . 29 LEU CD1 . 15740 1 275 . 1 1 25 25 LEU CD2 C 13 26.098 0.0800 . 1 . . . . 29 LEU CD2 . 15740 1 276 . 1 1 25 25 LEU CG C 13 27.736 0.0520 . 1 . . . . 29 LEU CG . 15740 1 277 . 1 1 25 25 LEU N N 15 121.633 0.0420 . 1 . . . . 29 LEU N . 15740 1 278 . 1 1 26 26 ILE H H 1 7.992 0.0100 . 1 . . . . 30 ILE H . 15740 1 279 . 1 1 26 26 ILE HA H 1 3.786 0.0100 . 1 . . . . 30 ILE HA . 15740 1 280 . 1 1 26 26 ILE HB H 1 2.116 0.0130 . 1 . . . . 30 ILE HB . 15740 1 281 . 1 1 26 26 ILE HD11 H 1 0.684 0.0100 . 1 . . . . 30 ILE HD11 . 15740 1 282 . 1 1 26 26 ILE HD12 H 1 0.684 0.0100 . 1 . . . . 30 ILE HD12 . 15740 1 283 . 1 1 26 26 ILE HD13 H 1 0.684 0.0100 . 1 . . . . 30 ILE HD13 . 15740 1 284 . 1 1 26 26 ILE HG12 H 1 1.824 0.1430 . 1 . . . . 30 ILE HG12 . 15740 1 285 . 1 1 26 26 ILE HG13 H 1 1.361 0.0210 . 1 . . . . 30 ILE HG13 . 15740 1 286 . 1 1 26 26 ILE HG21 H 1 0.911 0.0180 . 1 . . . . 30 ILE HG21 . 15740 1 287 . 1 1 26 26 ILE HG22 H 1 0.911 0.0180 . 1 . . . . 30 ILE HG22 . 15740 1 288 . 1 1 26 26 ILE HG23 H 1 0.911 0.0180 . 1 . . . . 30 ILE HG23 . 15740 1 289 . 1 1 26 26 ILE C C 13 177.342 0.0447 . 1 . . . . 30 ILE C . 15740 1 290 . 1 1 26 26 ILE CA C 13 62.511 0.1060 . 1 . . . . 30 ILE CA . 15740 1 291 . 1 1 26 26 ILE CB C 13 35.228 0.1000 . 1 . . . . 30 ILE CB . 15740 1 292 . 1 1 26 26 ILE CD1 C 13 8.965 0.0350 . 1 . . . . 30 ILE CD1 . 15740 1 293 . 1 1 26 26 ILE CG1 C 13 26.697 0.1120 . 1 . . . . 30 ILE CG1 . 15740 1 294 . 1 1 26 26 ILE CG2 C 13 17.481 0.1680 . 1 . . . . 30 ILE CG2 . 15740 1 295 . 1 1 26 26 ILE N N 15 117.624 0.0770 . 1 . . . . 30 ILE N . 15740 1 296 . 1 1 27 27 ASP H H 1 8.308 0.0100 . 1 . . . . 31 ASP H . 15740 1 297 . 1 1 27 27 ASP HA H 1 4.438 0.0070 . 1 . . . . 31 ASP HA . 15740 1 298 . 1 1 27 27 ASP HB2 H 1 2.920 0.0170 . 1 . . . . 31 ASP HB2 . 15740 1 299 . 1 1 27 27 ASP HB3 H 1 2.804 0.0070 . 1 . . . . 31 ASP HB3 . 15740 1 300 . 1 1 27 27 ASP C C 13 178.921 0.0447 . 1 . . . . 31 ASP C . 15740 1 301 . 1 1 27 27 ASP CA C 13 57.893 0.2060 . 1 . . . . 31 ASP CA . 15740 1 302 . 1 1 27 27 ASP CB C 13 42.630 0.1070 . 1 . . . . 31 ASP CB . 15740 1 303 . 1 1 27 27 ASP N N 15 118.533 0.0700 . 1 . . . . 31 ASP N . 15740 1 304 . 1 1 28 28 GLU H H 1 8.740 0.0040 . 1 . . . . 32 GLU H . 15740 1 305 . 1 1 28 28 GLU HA H 1 4.434 0.0040 . 1 . . . . 32 GLU HA . 15740 1 306 . 1 1 28 28 GLU HB2 H 1 2.615 0.0080 . 1 . . . . 32 GLU HB2 . 15740 1 307 . 1 1 28 28 GLU HB3 H 1 2.615 0.0080 . 1 . . . . 32 GLU HB3 . 15740 1 308 . 1 1 28 28 GLU HG2 H 1 3.233 0.0060 . 1 . . . . 32 GLU HG2 . 15740 1 309 . 1 1 28 28 GLU HG3 H 1 2.794 0.0070 . 1 . . . . 32 GLU HG3 . 15740 1 310 . 1 1 28 28 GLU C C 13 177.507 0.0447 . 1 . . . . 32 GLU C . 15740 1 311 . 1 1 28 28 GLU CA C 13 59.751 0.0820 . 1 . . . . 32 GLU CA . 15740 1 312 . 1 1 28 28 GLU CB C 13 29.603 0.0530 . 1 . . . . 32 GLU CB . 15740 1 313 . 1 1 28 28 GLU CG C 13 37.755 0.0730 . 1 . . . . 32 GLU CG . 15740 1 314 . 1 1 28 28 GLU N N 15 118.703 0.0430 . 1 . . . . 32 GLU N . 15740 1 315 . 1 1 29 29 TYR H H 1 9.120 0.0050 . 1 . . . . 33 TYR H . 15740 1 316 . 1 1 29 29 TYR HA H 1 4.142 0.0250 . 1 . . . . 33 TYR HA . 15740 1 317 . 1 1 29 29 TYR HB2 H 1 2.954 0.0150 . 1 . . . . 33 TYR HB2 . 15740 1 318 . 1 1 29 29 TYR HB3 H 1 2.618 0.0110 . 1 . . . . 33 TYR HB3 . 15740 1 319 . 1 1 29 29 TYR HD1 H 1 5.794 0.0190 . 3 . . . . 33 TYR HD1 . 15740 1 320 . 1 1 29 29 TYR HD2 H 1 5.794 0.0190 . 3 . . . . 33 TYR HD2 . 15740 1 321 . 1 1 29 29 TYR HE1 H 1 6.679 0.0050 . 3 . . . . 33 TYR HE1 . 15740 1 322 . 1 1 29 29 TYR HE2 H 1 6.679 0.0050 . 3 . . . . 33 TYR HE2 . 15740 1 323 . 1 1 29 29 TYR C C 13 176.800 0.0447 . 1 . . . . 33 TYR C . 15740 1 324 . 1 1 29 29 TYR CA C 13 60.791 0.0650 . 1 . . . . 33 TYR CA . 15740 1 325 . 1 1 29 29 TYR CB C 13 38.781 0.1420 . 1 . . . . 33 TYR CB . 15740 1 326 . 1 1 29 29 TYR CD1 C 13 133.562 0.0447 . 3 . . . . 33 TYR CD1 . 15740 1 327 . 1 1 29 29 TYR CD2 C 13 133.562 0.0447 . 3 . . . . 33 TYR CD2 . 15740 1 328 . 1 1 29 29 TYR CE1 C 13 118.102 0.0447 . 3 . . . . 33 TYR CE1 . 15740 1 329 . 1 1 29 29 TYR CE2 C 13 118.102 0.0447 . 3 . . . . 33 TYR CE2 . 15740 1 330 . 1 1 29 29 TYR N N 15 124.071 0.0350 . 1 . . . . 33 TYR N . 15740 1 331 . 1 1 30 30 ILE H H 1 8.245 0.0060 . 1 . . . . 34 ILE H . 15740 1 332 . 1 1 30 30 ILE HA H 1 3.330 0.0020 . 1 . . . . 34 ILE HA . 15740 1 333 . 1 1 30 30 ILE HB H 1 2.219 0.0090 . 1 . . . . 34 ILE HB . 15740 1 334 . 1 1 30 30 ILE HD11 H 1 0.863 0.0130 . 1 . . . . 34 ILE HD11 . 15740 1 335 . 1 1 30 30 ILE HD12 H 1 0.863 0.0130 . 1 . . . . 34 ILE HD12 . 15740 1 336 . 1 1 30 30 ILE HD13 H 1 0.863 0.0130 . 1 . . . . 34 ILE HD13 . 15740 1 337 . 1 1 30 30 ILE HG12 H 1 1.660 0.0170 . 1 . . . . 34 ILE HG12 . 15740 1 338 . 1 1 30 30 ILE HG13 H 1 1.658 0.0150 . 1 . . . . 34 ILE HG13 . 15740 1 339 . 1 1 30 30 ILE HG21 H 1 0.899 0.0140 . 1 . . . . 34 ILE HG21 . 15740 1 340 . 1 1 30 30 ILE HG22 H 1 0.899 0.0140 . 1 . . . . 34 ILE HG22 . 15740 1 341 . 1 1 30 30 ILE HG23 H 1 0.899 0.0140 . 1 . . . . 34 ILE HG23 . 15740 1 342 . 1 1 30 30 ILE C C 13 179.166 0.0447 . 1 . . . . 34 ILE C . 15740 1 343 . 1 1 30 30 ILE CA C 13 64.267 0.0540 . 1 . . . . 34 ILE CA . 15740 1 344 . 1 1 30 30 ILE CB C 13 37.332 0.0950 . 1 . . . . 34 ILE CB . 15740 1 345 . 1 1 30 30 ILE CD1 C 13 12.227 0.0447 . 1 . . . . 34 ILE CD1 . 15740 1 346 . 1 1 30 30 ILE CG1 C 13 28.774 0.0510 . 1 . . . . 34 ILE CG1 . 15740 1 347 . 1 1 30 30 ILE CG2 C 13 18.676 0.0260 . 1 . . . . 34 ILE CG2 . 15740 1 348 . 1 1 30 30 ILE N N 15 118.293 0.0330 . 1 . . . . 34 ILE N . 15740 1 349 . 1 1 31 31 THR H H 1 7.852 0.0080 . 1 . . . . 35 THR H . 15740 1 350 . 1 1 31 31 THR HA H 1 4.178 0.0110 . 1 . . . . 35 THR HA . 15740 1 351 . 1 1 31 31 THR HB H 1 4.807 0.0150 . 1 . . . . 35 THR HB . 15740 1 352 . 1 1 31 31 THR HG21 H 1 1.451 0.0030 . 1 . . . . 35 THR HG21 . 15740 1 353 . 1 1 31 31 THR HG22 H 1 1.451 0.0030 . 1 . . . . 35 THR HG22 . 15740 1 354 . 1 1 31 31 THR HG23 H 1 1.451 0.0030 . 1 . . . . 35 THR HG23 . 15740 1 355 . 1 1 31 31 THR C C 13 176.845 0.0447 . 1 . . . . 35 THR C . 15740 1 356 . 1 1 31 31 THR CA C 13 67.433 0.0370 . 1 . . . . 35 THR CA . 15740 1 357 . 1 1 31 31 THR CB C 13 67.912 0.0050 . 1 . . . . 35 THR CB . 15740 1 358 . 1 1 31 31 THR CG2 C 13 21.961 0.0447 . 1 . . . . 35 THR CG2 . 15740 1 359 . 1 1 31 31 THR N N 15 118.552 0.1120 . 1 . . . . 35 THR N . 15740 1 360 . 1 1 32 32 TRP H H 1 9.751 0.0060 . 1 . . . . 36 TRP H . 15740 1 361 . 1 1 32 32 TRP HA H 1 3.827 0.0070 . 1 . . . . 36 TRP HA . 15740 1 362 . 1 1 32 32 TRP HB2 H 1 3.616 0.0140 . 1 . . . . 36 TRP HB2 . 15740 1 363 . 1 1 32 32 TRP HB3 H 1 3.114 0.0120 . 1 . . . . 36 TRP HB3 . 15740 1 364 . 1 1 32 32 TRP HD1 H 1 5.393 0.0080 . 1 . . . . 36 TRP HD1 . 15740 1 365 . 1 1 32 32 TRP HE1 H 1 9.926 0.0030 . 1 . . . . 36 TRP HE1 . 15740 1 366 . 1 1 32 32 TRP HE3 H 1 7.124 0.0130 . 1 . . . . 36 TRP HE3 . 15740 1 367 . 1 1 32 32 TRP HH2 H 1 7.643 0.0090 . 1 . . . . 36 TRP HH2 . 15740 1 368 . 1 1 32 32 TRP HZ2 H 1 7.185 0.0070 . 1 . . . . 36 TRP HZ2 . 15740 1 369 . 1 1 32 32 TRP HZ3 H 1 7.205 0.0020 . 1 . . . . 36 TRP HZ3 . 15740 1 370 . 1 1 32 32 TRP C C 13 176.770 0.0447 . 1 . . . . 36 TRP C . 15740 1 371 . 1 1 32 32 TRP CA C 13 62.599 0.0930 . 1 . . . . 36 TRP CA . 15740 1 372 . 1 1 32 32 TRP CB C 13 27.434 0.0860 . 1 . . . . 36 TRP CB . 15740 1 373 . 1 1 32 32 TRP CD1 C 13 124.981 0.0447 . 1 . . . . 36 TRP CD1 . 15740 1 374 . 1 1 32 32 TRP CE3 C 13 119.990 0.0447 . 1 . . . . 36 TRP CE3 . 15740 1 375 . 1 1 32 32 TRP CH2 C 13 125.821 0.0447 . 1 . . . . 36 TRP CH2 . 15740 1 376 . 1 1 32 32 TRP CZ2 C 13 113.942 0.0447 . 1 . . . . 36 TRP CZ2 . 15740 1 377 . 1 1 32 32 TRP CZ3 C 13 121.590 0.0447 . 1 . . . . 36 TRP CZ3 . 15740 1 378 . 1 1 32 32 TRP N N 15 128.584 0.0510 . 1 . . . . 36 TRP N . 15740 1 379 . 1 1 32 32 TRP NE1 N 15 130.108 0.0280 . 1 . . . . 36 TRP NE1 . 15740 1 380 . 1 1 33 33 ARG H H 1 7.943 0.0070 . 1 . . . . 37 ARG H . 15740 1 381 . 1 1 33 33 ARG HA H 1 3.589 0.0050 . 1 . . . . 37 ARG HA . 15740 1 382 . 1 1 33 33 ARG HB2 H 1 1.879 0.0020 . 1 . . . . 37 ARG HB2 . 15740 1 383 . 1 1 33 33 ARG HB3 H 1 1.673 0.0220 . 1 . . . . 37 ARG HB3 . 15740 1 384 . 1 1 33 33 ARG HG2 H 1 1.352 0.0040 . 1 . . . . 37 ARG HG2 . 15740 1 385 . 1 1 33 33 ARG HG3 H 1 1.225 0.0170 . 1 . . . . 37 ARG HG3 . 15740 1 386 . 1 1 33 33 ARG C C 13 178.125 0.0447 . 1 . . . . 37 ARG C . 15740 1 387 . 1 1 33 33 ARG CA C 13 55.701 0.0260 . 1 . . . . 37 ARG CA . 15740 1 388 . 1 1 33 33 ARG CB C 13 26.949 0.0670 . 1 . . . . 37 ARG CB . 15740 1 389 . 1 1 33 33 ARG CG C 13 26.498 0.0090 . 1 . . . . 37 ARG CG . 15740 1 390 . 1 1 33 33 ARG N N 15 114.915 0.0300 . 1 . . . . 37 ARG N . 15740 1 391 . 1 1 34 34 ASN H H 1 7.089 0.0080 . 1 . . . . 38 ASN H . 15740 1 392 . 1 1 34 34 ASN HA H 1 4.376 0.0100 . 1 . . . . 38 ASN HA . 15740 1 393 . 1 1 34 34 ASN HB2 H 1 3.133 0.0130 . 1 . . . . 38 ASN HB2 . 15740 1 394 . 1 1 34 34 ASN HB3 H 1 3.129 0.0120 . 1 . . . . 38 ASN HB3 . 15740 1 395 . 1 1 34 34 ASN HD21 H 1 7.715 0.0120 . 1 . . . . 38 ASN HD21 . 15740 1 396 . 1 1 34 34 ASN HD22 H 1 7.625 0.0113 . 1 . . . . 38 ASN HD22 . 15740 1 397 . 1 1 34 34 ASN C C 13 175.591 0.0447 . 1 . . . . 38 ASN C . 15740 1 398 . 1 1 34 34 ASN CA C 13 57.311 0.0280 . 1 . . . . 38 ASN CA . 15740 1 399 . 1 1 34 34 ASN CB C 13 41.434 0.0480 . 1 . . . . 38 ASN CB . 15740 1 400 . 1 1 34 34 ASN N N 15 115.709 0.0360 . 1 . . . . 38 ASN N . 15740 1 401 . 1 1 34 34 ASN ND2 N 15 110.709 0.0670 . 1 . . . . 38 ASN ND2 . 15740 1 402 . 1 1 35 35 HIS H H 1 8.722 0.0070 . 1 . . . . 39 HIS H . 15740 1 403 . 1 1 35 35 HIS HA H 1 4.090 0.0050 . 1 . . . . 39 HIS HA . 15740 1 404 . 1 1 35 35 HIS HB2 H 1 3.377 0.0210 . 1 . . . . 39 HIS HB2 . 15740 1 405 . 1 1 35 35 HIS HB3 H 1 3.367 0.0160 . 1 . . . . 39 HIS HB3 . 15740 1 406 . 1 1 35 35 HIS HD2 H 1 6.883 0.0140 . 1 . . . . 39 HIS HD2 . 15740 1 407 . 1 1 35 35 HIS C C 13 176.973 0.0447 . 1 . . . . 39 HIS C . 15740 1 408 . 1 1 35 35 HIS CA C 13 60.692 0.1050 . 1 . . . . 39 HIS CA . 15740 1 409 . 1 1 35 35 HIS CB C 13 31.338 0.0900 . 1 . . . . 39 HIS CB . 15740 1 410 . 1 1 35 35 HIS CD2 C 13 120.470 0.0447 . 1 . . . . 39 HIS CD2 . 15740 1 411 . 1 1 35 35 HIS N N 15 122.161 0.0270 . 1 . . . . 39 HIS N . 15740 1 412 . 1 1 36 36 VAL H H 1 8.651 0.0050 . 1 . . . . 40 VAL H . 15740 1 413 . 1 1 36 36 VAL HA H 1 3.315 0.0130 . 1 . . . . 40 VAL HA . 15740 1 414 . 1 1 36 36 VAL HB H 1 1.448 0.0040 . 1 . . . . 40 VAL HB . 15740 1 415 . 1 1 36 36 VAL HG11 H 1 0.089 0.0190 . 1 . . . . 40 VAL HG11 . 15740 1 416 . 1 1 36 36 VAL HG12 H 1 0.089 0.0190 . 1 . . . . 40 VAL HG12 . 15740 1 417 . 1 1 36 36 VAL HG13 H 1 0.089 0.0190 . 1 . . . . 40 VAL HG13 . 15740 1 418 . 1 1 36 36 VAL HG21 H 1 0.046 0.0140 . 1 . . . . 40 VAL HG21 . 15740 1 419 . 1 1 36 36 VAL HG22 H 1 0.046 0.0140 . 1 . . . . 40 VAL HG22 . 15740 1 420 . 1 1 36 36 VAL HG23 H 1 0.046 0.0140 . 1 . . . . 40 VAL HG23 . 15740 1 421 . 1 1 36 36 VAL C C 13 177.248 0.0447 . 1 . . . . 40 VAL C . 15740 1 422 . 1 1 36 36 VAL CA C 13 65.216 0.0900 . 1 . . . . 40 VAL CA . 15740 1 423 . 1 1 36 36 VAL CB C 13 30.974 0.0640 . 1 . . . . 40 VAL CB . 15740 1 424 . 1 1 36 36 VAL CG1 C 13 20.443 0.0650 . 1 . . . . 40 VAL CG1 . 15740 1 425 . 1 1 36 36 VAL CG2 C 13 19.536 0.0300 . 1 . . . . 40 VAL CG2 . 15740 1 426 . 1 1 36 36 VAL N N 15 112.753 0.0460 . 1 . . . . 40 VAL N . 15740 1 427 . 1 1 37 37 ILE H H 1 6.690 0.0070 . 1 . . . . 41 ILE H . 15740 1 428 . 1 1 37 37 ILE HA H 1 3.826 0.0120 . 1 . . . . 41 ILE HA . 15740 1 429 . 1 1 37 37 ILE HB H 1 1.927 0.0130 . 1 . . . . 41 ILE HB . 15740 1 430 . 1 1 37 37 ILE HD11 H 1 0.545 0.0050 . 1 . . . . 41 ILE HD11 . 15740 1 431 . 1 1 37 37 ILE HD12 H 1 0.545 0.0050 . 1 . . . . 41 ILE HD12 . 15740 1 432 . 1 1 37 37 ILE HD13 H 1 0.545 0.0050 . 1 . . . . 41 ILE HD13 . 15740 1 433 . 1 1 37 37 ILE HG12 H 1 1.723 0.0100 . 1 . . . . 41 ILE HG12 . 15740 1 434 . 1 1 37 37 ILE HG13 H 1 1.230 0.0070 . 1 . . . . 41 ILE HG13 . 15740 1 435 . 1 1 37 37 ILE HG21 H 1 0.202 0.0090 . 1 . . . . 41 ILE HG21 . 15740 1 436 . 1 1 37 37 ILE HG22 H 1 0.202 0.0090 . 1 . . . . 41 ILE HG22 . 15740 1 437 . 1 1 37 37 ILE HG23 H 1 0.202 0.0090 . 1 . . . . 41 ILE HG23 . 15740 1 438 . 1 1 37 37 ILE C C 13 179.209 0.0447 . 1 . . . . 41 ILE C . 15740 1 439 . 1 1 37 37 ILE CA C 13 60.426 0.0700 . 1 . . . . 41 ILE CA . 15740 1 440 . 1 1 37 37 ILE CB C 13 36.465 0.1350 . 1 . . . . 41 ILE CB . 15740 1 441 . 1 1 37 37 ILE CD1 C 13 8.242 0.0390 . 1 . . . . 41 ILE CD1 . 15740 1 442 . 1 1 37 37 ILE CG1 C 13 26.535 0.0720 . 1 . . . . 41 ILE CG1 . 15740 1 443 . 1 1 37 37 ILE CG2 C 13 16.209 0.0550 . 1 . . . . 41 ILE CG2 . 15740 1 444 . 1 1 37 37 ILE N N 15 117.578 0.0280 . 1 . . . . 41 ILE N . 15740 1 445 . 1 1 38 38 VAL H H 1 7.893 0.0090 . 1 . . . . 42 VAL H . 15740 1 446 . 1 1 38 38 VAL HA H 1 3.233 0.0080 . 1 . . . . 42 VAL HA . 15740 1 447 . 1 1 38 38 VAL HB H 1 1.437 0.0100 . 1 . . . . 42 VAL HB . 15740 1 448 . 1 1 38 38 VAL HG11 H 1 0.783 0.0090 . 1 . . . . 42 VAL HG11 . 15740 1 449 . 1 1 38 38 VAL HG12 H 1 0.783 0.0090 . 1 . . . . 42 VAL HG12 . 15740 1 450 . 1 1 38 38 VAL HG13 H 1 0.783 0.0090 . 1 . . . . 42 VAL HG13 . 15740 1 451 . 1 1 38 38 VAL HG21 H 1 0.005 0.0060 . 1 . . . . 42 VAL HG21 . 15740 1 452 . 1 1 38 38 VAL HG22 H 1 0.005 0.0060 . 1 . . . . 42 VAL HG22 . 15740 1 453 . 1 1 38 38 VAL HG23 H 1 0.005 0.0060 . 1 . . . . 42 VAL HG23 . 15740 1 454 . 1 1 38 38 VAL C C 13 177.430 0.0447 . 1 . . . . 42 VAL C . 15740 1 455 . 1 1 38 38 VAL CA C 13 66.434 0.0960 . 1 . . . . 42 VAL CA . 15740 1 456 . 1 1 38 38 VAL CB C 13 32.005 0.1230 . 1 . . . . 42 VAL CB . 15740 1 457 . 1 1 38 38 VAL CG1 C 13 23.273 0.0520 . 1 . . . . 42 VAL CG1 . 15740 1 458 . 1 1 38 38 VAL CG2 C 13 20.827 0.0630 . 1 . . . . 42 VAL CG2 . 15740 1 459 . 1 1 38 38 VAL N N 15 120.518 0.0330 . 1 . . . . 42 VAL N . 15740 1 460 . 1 1 39 39 PHE H H 1 7.975 0.0060 . 1 . . . . 43 PHE H . 15740 1 461 . 1 1 39 39 PHE HA H 1 4.527 0.0080 . 1 . . . . 43 PHE HA . 15740 1 462 . 1 1 39 39 PHE HB2 H 1 3.310 0.0090 . 1 . . . . 43 PHE HB2 . 15740 1 463 . 1 1 39 39 PHE HB3 H 1 2.150 0.0080 . 1 . . . . 43 PHE HB3 . 15740 1 464 . 1 1 39 39 PHE HD1 H 1 6.870 0.0080 . 3 . . . . 43 PHE HD1 . 15740 1 465 . 1 1 39 39 PHE HD2 H 1 6.870 0.0080 . 3 . . . . 43 PHE HD2 . 15740 1 466 . 1 1 39 39 PHE HE1 H 1 7.148 0.0080 . 3 . . . . 43 PHE HE1 . 15740 1 467 . 1 1 39 39 PHE HE2 H 1 7.148 0.0080 . 3 . . . . 43 PHE HE2 . 15740 1 468 . 1 1 39 39 PHE C C 13 174.283 0.0447 . 1 . . . . 43 PHE C . 15740 1 469 . 1 1 39 39 PHE CA C 13 57.898 0.0560 . 1 . . . . 43 PHE CA . 15740 1 470 . 1 1 39 39 PHE CB C 13 37.989 0.0730 . 1 . . . . 43 PHE CB . 15740 1 471 . 1 1 39 39 PHE CD1 C 13 130.585 0.0447 . 3 . . . . 43 PHE CD1 . 15740 1 472 . 1 1 39 39 PHE CD2 C 13 130.585 0.0447 . 3 . . . . 43 PHE CD2 . 15740 1 473 . 1 1 39 39 PHE CE1 C 13 133.427 0.0447 . 3 . . . . 43 PHE CE1 . 15740 1 474 . 1 1 39 39 PHE CE2 C 13 133.427 0.0447 . 3 . . . . 43 PHE CE2 . 15740 1 475 . 1 1 39 39 PHE N N 15 112.836 0.0160 . 1 . . . . 43 PHE N . 15740 1 476 . 1 1 40 40 ASN H H 1 7.356 0.0070 . 1 . . . . 44 ASN H . 15740 1 477 . 1 1 40 40 ASN HA H 1 4.403 0.0060 . 1 . . . . 44 ASN HA . 15740 1 478 . 1 1 40 40 ASN HB2 H 1 3.051 0.0070 . 1 . . . . 44 ASN HB2 . 15740 1 479 . 1 1 40 40 ASN HB3 H 1 2.649 0.0070 . 1 . . . . 44 ASN HB3 . 15740 1 480 . 1 1 40 40 ASN HD21 H 1 7.521 0.0110 . 1 . . . . 44 ASN HD21 . 15740 1 481 . 1 1 40 40 ASN HD22 H 1 6.761 0.0070 . 1 . . . . 44 ASN HD22 . 15740 1 482 . 1 1 40 40 ASN C C 13 174.779 0.0447 . 1 . . . . 44 ASN C . 15740 1 483 . 1 1 40 40 ASN CA C 13 54.281 0.1020 . 1 . . . . 44 ASN CA . 15740 1 484 . 1 1 40 40 ASN CB C 13 37.101 0.0920 . 1 . . . . 44 ASN CB . 15740 1 485 . 1 1 40 40 ASN N N 15 118.028 0.0210 . 1 . . . . 44 ASN N . 15740 1 486 . 1 1 40 40 ASN ND2 N 15 112.281 0.0540 . 1 . . . . 44 ASN ND2 . 15740 1 487 . 1 1 41 41 LYS H H 1 8.497 0.0080 . 1 . . . . 45 LYS H . 15740 1 488 . 1 1 41 41 LYS HA H 1 4.484 0.0150 . 1 . . . . 45 LYS HA . 15740 1 489 . 1 1 41 41 LYS HB2 H 1 2.010 0.0130 . 1 . . . . 45 LYS HB2 . 15740 1 490 . 1 1 41 41 LYS HB3 H 1 1.444 0.0040 . 1 . . . . 45 LYS HB3 . 15740 1 491 . 1 1 41 41 LYS HD2 H 1 1.687 0.0070 . 1 . . . . 45 LYS HD2 . 15740 1 492 . 1 1 41 41 LYS HD3 H 1 1.685 0.0070 . 1 . . . . 45 LYS HD3 . 15740 1 493 . 1 1 41 41 LYS HG2 H 1 1.447 0.0070 . 1 . . . . 45 LYS HG2 . 15740 1 494 . 1 1 41 41 LYS HG3 H 1 1.298 0.0050 . 1 . . . . 45 LYS HG3 . 15740 1 495 . 1 1 41 41 LYS C C 13 175.247 0.0447 . 1 . . . . 45 LYS C . 15740 1 496 . 1 1 41 41 LYS CA C 13 54.464 0.0640 . 1 . . . . 45 LYS CA . 15740 1 497 . 1 1 41 41 LYS CB C 13 33.926 0.1020 . 1 . . . . 45 LYS CB . 15740 1 498 . 1 1 41 41 LYS CD C 13 28.877 0.0920 . 1 . . . . 45 LYS CD . 15740 1 499 . 1 1 41 41 LYS CE C 13 41.937 0.0110 . 1 . . . . 45 LYS CE . 15740 1 500 . 1 1 41 41 LYS CG C 13 24.983 0.1200 . 1 . . . . 45 LYS CG . 15740 1 501 . 1 1 41 41 LYS N N 15 117.508 0.0240 . 1 . . . . 45 LYS N . 15740 1 502 . 1 1 42 42 ASP H H 1 8.294 0.0080 . 1 . . . . 46 ASP H . 15740 1 503 . 1 1 42 42 ASP HA H 1 4.634 0.0040 . 1 . . . . 46 ASP HA . 15740 1 504 . 1 1 42 42 ASP HB2 H 1 2.974 0.0050 . 1 . . . . 46 ASP HB2 . 15740 1 505 . 1 1 42 42 ASP HB3 H 1 2.661 0.0030 . 1 . . . . 46 ASP HB3 . 15740 1 506 . 1 1 42 42 ASP C C 13 177.852 0.0447 . 1 . . . . 46 ASP C . 15740 1 507 . 1 1 42 42 ASP CA C 13 53.484 0.0260 . 1 . . . . 46 ASP CA . 15740 1 508 . 1 1 42 42 ASP CB C 13 41.170 0.0390 . 1 . . . . 46 ASP CB . 15740 1 509 . 1 1 42 42 ASP N N 15 118.746 0.0420 . 1 . . . . 46 ASP N . 15740 1 510 . 1 1 43 43 ILE H H 1 8.629 0.0110 . 1 . . . . 47 ILE H . 15740 1 511 . 1 1 43 43 ILE HA H 1 4.137 0.0060 . 1 . . . . 47 ILE HA . 15740 1 512 . 1 1 43 43 ILE HB H 1 1.832 0.0110 . 1 . . . . 47 ILE HB . 15740 1 513 . 1 1 43 43 ILE HD11 H 1 0.843 0.0200 . 1 . . . . 47 ILE HD11 . 15740 1 514 . 1 1 43 43 ILE HD12 H 1 0.843 0.0200 . 1 . . . . 47 ILE HD12 . 15740 1 515 . 1 1 43 43 ILE HD13 H 1 0.843 0.0200 . 1 . . . . 47 ILE HD13 . 15740 1 516 . 1 1 43 43 ILE HG12 H 1 1.488 0.0080 . 1 . . . . 47 ILE HG12 . 15740 1 517 . 1 1 43 43 ILE HG13 H 1 1.488 0.0080 . 1 . . . . 47 ILE HG13 . 15740 1 518 . 1 1 43 43 ILE HG21 H 1 0.907 0.0160 . 1 . . . . 47 ILE HG21 . 15740 1 519 . 1 1 43 43 ILE HG22 H 1 0.907 0.0160 . 1 . . . . 47 ILE HG22 . 15740 1 520 . 1 1 43 43 ILE HG23 H 1 0.907 0.0160 . 1 . . . . 47 ILE HG23 . 15740 1 521 . 1 1 43 43 ILE C C 13 174.813 0.0447 . 1 . . . . 47 ILE C . 15740 1 522 . 1 1 43 43 ILE CA C 13 63.056 0.0890 . 1 . . . . 47 ILE CA . 15740 1 523 . 1 1 43 43 ILE CB C 13 38.926 0.3450 . 1 . . . . 47 ILE CB . 15740 1 524 . 1 1 43 43 ILE CD1 C 13 14.478 0.0870 . 1 . . . . 47 ILE CD1 . 15740 1 525 . 1 1 43 43 ILE CG1 C 13 29.085 0.1200 . 1 . . . . 47 ILE CG1 . 15740 1 526 . 1 1 43 43 ILE CG2 C 13 17.295 0.1000 . 1 . . . . 47 ILE CG2 . 15740 1 527 . 1 1 43 43 ILE N N 15 128.962 0.0220 . 1 . . . . 47 ILE N . 15740 1 528 . 1 1 44 44 THR H H 1 8.392 0.0070 . 1 . . . . 48 THR H . 15740 1 529 . 1 1 44 44 THR HA H 1 4.417 0.0080 . 1 . . . . 48 THR HA . 15740 1 530 . 1 1 44 44 THR HB H 1 4.419 0.0090 . 1 . . . . 48 THR HB . 15740 1 531 . 1 1 44 44 THR HG21 H 1 1.283 0.0040 . 1 . . . . 48 THR HG21 . 15740 1 532 . 1 1 44 44 THR HG22 H 1 1.283 0.0040 . 1 . . . . 48 THR HG22 . 15740 1 533 . 1 1 44 44 THR HG23 H 1 1.283 0.0040 . 1 . . . . 48 THR HG23 . 15740 1 534 . 1 1 44 44 THR C C 13 176.169 0.0447 . 1 . . . . 48 THR C . 15740 1 535 . 1 1 44 44 THR CA C 13 62.556 0.0950 . 1 . . . . 48 THR CA . 15740 1 536 . 1 1 44 44 THR CB C 13 69.404 0.0800 . 1 . . . . 48 THR CB . 15740 1 537 . 1 1 44 44 THR CG2 C 13 22.061 0.0540 . 1 . . . . 48 THR CG2 . 15740 1 538 . 1 1 44 44 THR N N 15 109.128 0.0250 . 1 . . . . 48 THR N . 15740 1 539 . 1 1 45 45 SER H H 1 7.724 0.0260 . 1 . . . . 49 SER H . 15740 1 540 . 1 1 45 45 SER HA H 1 4.702 0.0070 . 1 . . . . 49 SER HA . 15740 1 541 . 1 1 45 45 SER HB2 H 1 4.130 0.0040 . 1 . . . . 49 SER HB2 . 15740 1 542 . 1 1 45 45 SER HB3 H 1 3.919 0.0080 . 1 . . . . 49 SER HB3 . 15740 1 543 . 1 1 45 45 SER C C 13 173.100 0.0447 . 1 . . . . 49 SER C . 15740 1 544 . 1 1 45 45 SER CA C 13 56.877 0.0560 . 1 . . . . 49 SER CA . 15740 1 545 . 1 1 45 45 SER CB C 13 62.068 0.0750 . 1 . . . . 49 SER CB . 15740 1 546 . 1 1 45 45 SER N N 15 119.282 0.0950 . 1 . . . . 49 SER N . 15740 1 547 . 1 1 46 46 CYS H H 1 7.778 0.0230 . 1 . . . . 50 CYS H . 15740 1 548 . 1 1 46 46 CYS HA H 1 4.703 0.0110 . 1 . . . . 50 CYS HA . 15740 1 549 . 1 1 46 46 CYS HB2 H 1 2.902 0.0110 . 1 . . . . 50 CYS HB2 . 15740 1 550 . 1 1 46 46 CYS HB3 H 1 2.727 0.0140 . 1 . . . . 50 CYS HB3 . 15740 1 551 . 1 1 46 46 CYS C C 13 173.876 0.0447 . 1 . . . . 50 CYS C . 15740 1 552 . 1 1 46 46 CYS CA C 13 55.950 0.0660 . 1 . . . . 50 CYS CA . 15740 1 553 . 1 1 46 46 CYS CB C 13 29.158 0.0740 . 1 . . . . 50 CYS CB . 15740 1 554 . 1 1 46 46 CYS N N 15 119.060 0.0480 . 1 . . . . 50 CYS N . 15740 1 555 . 1 1 47 47 GLY H H 1 8.950 0.0070 . 1 . . . . 51 GLY H . 15740 1 556 . 1 1 47 47 GLY HA2 H 1 4.362 0.0070 . 1 . . . . 51 GLY HA2 . 15740 1 557 . 1 1 47 47 GLY HA3 H 1 3.370 0.0020 . 1 . . . . 51 GLY HA3 . 15740 1 558 . 1 1 47 47 GLY C C 13 173.681 0.0447 . 1 . . . . 51 GLY C . 15740 1 559 . 1 1 47 47 GLY CA C 13 43.892 0.0690 . 1 . . . . 51 GLY CA . 15740 1 560 . 1 1 47 47 GLY N N 15 106.960 0.0340 . 1 . . . . 51 GLY N . 15740 1 561 . 1 1 48 48 ARG H H 1 9.161 0.0050 . 1 . . . . 52 ARG H . 15740 1 562 . 1 1 48 48 ARG HA H 1 3.793 0.0100 . 1 . . . . 52 ARG HA . 15740 1 563 . 1 1 48 48 ARG HB2 H 1 1.924 0.0120 . 1 . . . . 52 ARG HB2 . 15740 1 564 . 1 1 48 48 ARG HB3 H 1 1.737 0.0110 . 1 . . . . 52 ARG HB3 . 15740 1 565 . 1 1 48 48 ARG HD2 H 1 3.224 0.0100 . 1 . . . . 52 ARG HD2 . 15740 1 566 . 1 1 48 48 ARG HD3 H 1 3.224 0.0100 . 1 . . . . 52 ARG HD3 . 15740 1 567 . 1 1 48 48 ARG HG2 H 1 1.938 0.0090 . 1 . . . . 52 ARG HG2 . 15740 1 568 . 1 1 48 48 ARG HG3 H 1 1.606 0.0050 . 1 . . . . 52 ARG HG3 . 15740 1 569 . 1 1 48 48 ARG C C 13 178.653 0.0447 . 1 . . . . 52 ARG C . 15740 1 570 . 1 1 48 48 ARG CA C 13 59.763 0.0830 . 1 . . . . 52 ARG CA . 15740 1 571 . 1 1 48 48 ARG CB C 13 31.042 0.1190 . 1 . . . . 52 ARG CB . 15740 1 572 . 1 1 48 48 ARG CD C 13 43.533 0.0430 . 1 . . . . 52 ARG CD . 15740 1 573 . 1 1 48 48 ARG CG C 13 28.209 0.0960 . 1 . . . . 52 ARG CG . 15740 1 574 . 1 1 48 48 ARG N N 15 115.139 0.0270 . 1 . . . . 52 ARG N . 15740 1 575 . 1 1 49 49 LEU H H 1 7.917 0.0090 . 1 . . . . 53 LEU H . 15740 1 576 . 1 1 49 49 LEU HA H 1 3.913 0.0130 . 1 . . . . 53 LEU HA . 15740 1 577 . 1 1 49 49 LEU HB2 H 1 2.101 0.0090 . 1 . . . . 53 LEU HB2 . 15740 1 578 . 1 1 49 49 LEU HB3 H 1 0.996 0.0090 . 1 . . . . 53 LEU HB3 . 15740 1 579 . 1 1 49 49 LEU HD11 H 1 1.006 0.0090 . 1 . . . . 53 LEU HD11 . 15740 1 580 . 1 1 49 49 LEU HD12 H 1 1.006 0.0090 . 1 . . . . 53 LEU HD12 . 15740 1 581 . 1 1 49 49 LEU HD13 H 1 1.006 0.0090 . 1 . . . . 53 LEU HD13 . 15740 1 582 . 1 1 49 49 LEU HD21 H 1 0.729 0.0150 . 1 . . . . 53 LEU HD21 . 15740 1 583 . 1 1 49 49 LEU HD22 H 1 0.729 0.0150 . 1 . . . . 53 LEU HD22 . 15740 1 584 . 1 1 49 49 LEU HD23 H 1 0.729 0.0150 . 1 . . . . 53 LEU HD23 . 15740 1 585 . 1 1 49 49 LEU HG H 1 1.411 0.0080 . 1 . . . . 53 LEU HG . 15740 1 586 . 1 1 49 49 LEU C C 13 177.031 0.0447 . 1 . . . . 53 LEU C . 15740 1 587 . 1 1 49 49 LEU CA C 13 58.943 0.0870 . 1 . . . . 53 LEU CA . 15740 1 588 . 1 1 49 49 LEU CB C 13 40.963 0.1330 . 1 . . . . 53 LEU CB . 15740 1 589 . 1 1 49 49 LEU CD1 C 13 26.348 0.0880 . 1 . . . . 53 LEU CD1 . 15740 1 590 . 1 1 49 49 LEU CD2 C 13 23.931 0.0550 . 1 . . . . 53 LEU CD2 . 15740 1 591 . 1 1 49 49 LEU CG C 13 27.356 0.1090 . 1 . . . . 53 LEU CG . 15740 1 592 . 1 1 49 49 LEU N N 15 119.133 0.0710 . 1 . . . . 53 LEU N . 15740 1 593 . 1 1 50 50 TYR H H 1 9.544 0.0060 . 1 . . . . 54 TYR H . 15740 1 594 . 1 1 50 50 TYR HA H 1 3.778 0.0090 . 1 . . . . 54 TYR HA . 15740 1 595 . 1 1 50 50 TYR HB2 H 1 2.983 0.0190 . 1 . . . . 54 TYR HB2 . 15740 1 596 . 1 1 50 50 TYR HB3 H 1 2.670 0.0210 . 1 . . . . 54 TYR HB3 . 15740 1 597 . 1 1 50 50 TYR C C 13 179.171 0.0447 . 1 . . . . 54 TYR C . 15740 1 598 . 1 1 50 50 TYR CA C 13 60.815 0.0920 . 1 . . . . 54 TYR CA . 15740 1 599 . 1 1 50 50 TYR CB C 13 37.528 0.1060 . 1 . . . . 54 TYR CB . 15740 1 600 . 1 1 50 50 TYR N N 15 122.028 0.0300 . 1 . . . . 54 TYR N . 15740 1 601 . 1 1 51 51 LYS H H 1 8.087 0.0060 . 1 . . . . 55 LYS H . 15740 1 602 . 1 1 51 51 LYS HA H 1 3.926 0.0080 . 1 . . . . 55 LYS HA . 15740 1 603 . 1 1 51 51 LYS HB2 H 1 1.785 0.0180 . 1 . . . . 55 LYS HB2 . 15740 1 604 . 1 1 51 51 LYS HB3 H 1 1.765 0.0210 . 1 . . . . 55 LYS HB3 . 15740 1 605 . 1 1 51 51 LYS HD2 H 1 1.666 0.0120 . 1 . . . . 55 LYS HD2 . 15740 1 606 . 1 1 51 51 LYS HD3 H 1 1.633 0.0410 . 1 . . . . 55 LYS HD3 . 15740 1 607 . 1 1 51 51 LYS HE2 H 1 2.941 0.0060 . 1 . . . . 55 LYS HE2 . 15740 1 608 . 1 1 51 51 LYS HE3 H 1 2.941 0.0050 . 1 . . . . 55 LYS HE3 . 15740 1 609 . 1 1 51 51 LYS HG2 H 1 1.415 0.0170 . 1 . . . . 55 LYS HG2 . 15740 1 610 . 1 1 51 51 LYS HG3 H 1 1.326 0.0260 . 1 . . . . 55 LYS HG3 . 15740 1 611 . 1 1 51 51 LYS C C 13 179.729 0.0447 . 1 . . . . 55 LYS C . 15740 1 612 . 1 1 51 51 LYS CA C 13 60.684 0.1290 . 1 . . . . 55 LYS CA . 15740 1 613 . 1 1 51 51 LYS CB C 13 32.475 0.0870 . 1 . . . . 55 LYS CB . 15740 1 614 . 1 1 51 51 LYS CD C 13 28.927 0.1040 . 1 . . . . 55 LYS CD . 15740 1 615 . 1 1 51 51 LYS CE C 13 42.131 0.0300 . 1 . . . . 55 LYS CE . 15740 1 616 . 1 1 51 51 LYS CG C 13 24.692 0.0720 . 1 . . . . 55 LYS CG . 15740 1 617 . 1 1 51 51 LYS N N 15 116.306 0.0350 . 1 . . . . 55 LYS N . 15740 1 618 . 1 1 52 52 GLU H H 1 7.880 0.0160 . 1 . . . . 56 GLU H . 15740 1 619 . 1 1 52 52 GLU HA H 1 3.787 0.0140 . 1 . . . . 56 GLU HA . 15740 1 620 . 1 1 52 52 GLU HB2 H 1 1.912 0.0250 . 1 . . . . 56 GLU HB2 . 15740 1 621 . 1 1 52 52 GLU HB3 H 1 1.798 0.0310 . 1 . . . . 56 GLU HB3 . 15740 1 622 . 1 1 52 52 GLU HG2 H 1 2.320 0.0060 . 1 . . . . 56 GLU HG2 . 15740 1 623 . 1 1 52 52 GLU HG3 H 1 2.306 0.0140 . 1 . . . . 56 GLU HG3 . 15740 1 624 . 1 1 52 52 GLU C C 13 179.156 0.0447 . 1 . . . . 56 GLU C . 15740 1 625 . 1 1 52 52 GLU CA C 13 58.583 0.0650 . 1 . . . . 56 GLU CA . 15740 1 626 . 1 1 52 52 GLU CB C 13 28.583 0.1720 . 1 . . . . 56 GLU CB . 15740 1 627 . 1 1 52 52 GLU CG C 13 36.075 0.0470 . 1 . . . . 56 GLU CG . 15740 1 628 . 1 1 52 52 GLU N N 15 119.040 0.0500 . 1 . . . . 56 GLU N . 15740 1 629 . 1 1 53 53 LEU H H 1 7.222 0.0080 . 1 . . . . 57 LEU H . 15740 1 630 . 1 1 53 53 LEU HA H 1 2.646 0.0080 . 1 . . . . 57 LEU HA . 15740 1 631 . 1 1 53 53 LEU HB2 H 1 0.949 0.0100 . 1 . . . . 57 LEU HB2 . 15740 1 632 . 1 1 53 53 LEU HB3 H 1 -0.168 0.0060 . 1 . . . . 57 LEU HB3 . 15740 1 633 . 1 1 53 53 LEU HD11 H 1 0.263 0.0050 . 1 . . . . 57 LEU HD11 . 15740 1 634 . 1 1 53 53 LEU HD12 H 1 0.263 0.0050 . 1 . . . . 57 LEU HD12 . 15740 1 635 . 1 1 53 53 LEU HD13 H 1 0.263 0.0050 . 1 . . . . 57 LEU HD13 . 15740 1 636 . 1 1 53 53 LEU HD21 H 1 -0.004 0.0060 . 1 . . . . 57 LEU HD21 . 15740 1 637 . 1 1 53 53 LEU HD22 H 1 -0.004 0.0060 . 1 . . . . 57 LEU HD22 . 15740 1 638 . 1 1 53 53 LEU HD23 H 1 -0.004 0.0060 . 1 . . . . 57 LEU HD23 . 15740 1 639 . 1 1 53 53 LEU HG H 1 1.371 0.0060 . 1 . . . . 57 LEU HG . 15740 1 640 . 1 1 53 53 LEU C C 13 181.087 0.0447 . 1 . . . . 57 LEU C . 15740 1 641 . 1 1 53 53 LEU CA C 13 56.682 0.0910 . 1 . . . . 57 LEU CA . 15740 1 642 . 1 1 53 53 LEU CB C 13 39.043 0.0530 . 1 . . . . 57 LEU CB . 15740 1 643 . 1 1 53 53 LEU CD1 C 13 22.800 0.0510 . 1 . . . . 57 LEU CD1 . 15740 1 644 . 1 1 53 53 LEU CD2 C 13 25.360 0.0660 . 1 . . . . 57 LEU CD2 . 15740 1 645 . 1 1 53 53 LEU CG C 13 25.449 0.3360 . 1 . . . . 57 LEU CG . 15740 1 646 . 1 1 53 53 LEU N N 15 118.969 0.0210 . 1 . . . . 57 LEU N . 15740 1 647 . 1 1 54 54 MET H H 1 8.301 0.0050 . 1 . . . . 58 MET H . 15740 1 648 . 1 1 54 54 MET HA H 1 4.111 0.0050 . 1 . . . . 58 MET HA . 15740 1 649 . 1 1 54 54 MET HB2 H 1 2.225 0.0150 . 1 . . . . 58 MET HB2 . 15740 1 650 . 1 1 54 54 MET HB3 H 1 2.212 0.0160 . 1 . . . . 58 MET HB3 . 15740 1 651 . 1 1 54 54 MET HE1 H 1 2.285 0.0080 . 1 . . . . 58 MET HE1 . 15740 1 652 . 1 1 54 54 MET HE2 H 1 2.285 0.0080 . 1 . . . . 58 MET HE2 . 15740 1 653 . 1 1 54 54 MET HE3 H 1 2.285 0.0080 . 1 . . . . 58 MET HE3 . 15740 1 654 . 1 1 54 54 MET HG2 H 1 3.108 0.0100 . 1 . . . . 58 MET HG2 . 15740 1 655 . 1 1 54 54 MET HG3 H 1 2.907 0.0140 . 1 . . . . 58 MET HG3 . 15740 1 656 . 1 1 54 54 MET C C 13 178.886 0.0447 . 1 . . . . 58 MET C . 15740 1 657 . 1 1 54 54 MET CA C 13 59.528 0.0560 . 1 . . . . 58 MET CA . 15740 1 658 . 1 1 54 54 MET CB C 13 33.848 0.1020 . 1 . . . . 58 MET CB . 15740 1 659 . 1 1 54 54 MET CE C 13 17.737 0.0390 . 1 . . . . 58 MET CE . 15740 1 660 . 1 1 54 54 MET CG C 13 33.794 0.0500 . 1 . . . . 58 MET CG . 15740 1 661 . 1 1 54 54 MET N N 15 120.176 0.0950 . 1 . . . . 58 MET N . 15740 1 662 . 1 1 55 55 LYS H H 1 7.116 0.0070 . 1 . . . . 59 LYS H . 15740 1 663 . 1 1 55 55 LYS HA H 1 4.283 0.0080 . 1 . . . . 59 LYS HA . 15740 1 664 . 1 1 55 55 LYS HB2 H 1 2.044 0.0150 . 1 . . . . 59 LYS HB2 . 15740 1 665 . 1 1 55 55 LYS HB3 H 1 2.042 0.0120 . 1 . . . . 59 LYS HB3 . 15740 1 666 . 1 1 55 55 LYS HD2 H 1 1.770 0.0090 . 1 . . . . 59 LYS HD2 . 15740 1 667 . 1 1 55 55 LYS HD3 H 1 1.770 0.0100 . 1 . . . . 59 LYS HD3 . 15740 1 668 . 1 1 55 55 LYS HE2 H 1 2.963 0.0210 . 1 . . . . 59 LYS HE2 . 15740 1 669 . 1 1 55 55 LYS HE3 H 1 2.804 0.0110 . 1 . . . . 59 LYS HE3 . 15740 1 670 . 1 1 55 55 LYS HG2 H 1 1.788 0.0130 . 1 . . . . 59 LYS HG2 . 15740 1 671 . 1 1 55 55 LYS HG3 H 1 1.471 0.0080 . 1 . . . . 59 LYS HG3 . 15740 1 672 . 1 1 55 55 LYS C C 13 179.560 0.0447 . 1 . . . . 59 LYS C . 15740 1 673 . 1 1 55 55 LYS CA C 13 58.664 0.0820 . 1 . . . . 59 LYS CA . 15740 1 674 . 1 1 55 55 LYS CB C 13 31.256 0.0730 . 1 . . . . 59 LYS CB . 15740 1 675 . 1 1 55 55 LYS CD C 13 29.434 0.0710 . 1 . . . . 59 LYS CD . 15740 1 676 . 1 1 55 55 LYS CE C 13 42.395 0.0990 . 1 . . . . 59 LYS CE . 15740 1 677 . 1 1 55 55 LYS CG C 13 25.730 0.0740 . 1 . . . . 59 LYS CG . 15740 1 678 . 1 1 55 55 LYS N N 15 118.609 0.0320 . 1 . . . . 59 LYS N . 15740 1 679 . 1 1 56 56 PHE H H 1 7.876 0.0080 . 1 . . . . 60 PHE H . 15740 1 680 . 1 1 56 56 PHE HA H 1 4.703 0.0160 . 1 . . . . 60 PHE HA . 15740 1 681 . 1 1 56 56 PHE HB2 H 1 3.810 0.0130 . 1 . . . . 60 PHE HB2 . 15740 1 682 . 1 1 56 56 PHE HB3 H 1 3.191 0.0190 . 1 . . . . 60 PHE HB3 . 15740 1 683 . 1 1 56 56 PHE HD1 H 1 6.716 0.0080 . 3 . . . . 60 PHE HD1 . 15740 1 684 . 1 1 56 56 PHE HD2 H 1 6.716 0.0080 . 3 . . . . 60 PHE HD2 . 15740 1 685 . 1 1 56 56 PHE HE1 H 1 6.467 0.0050 . 3 . . . . 60 PHE HE1 . 15740 1 686 . 1 1 56 56 PHE HE2 H 1 6.467 0.0050 . 3 . . . . 60 PHE HE2 . 15740 1 687 . 1 1 56 56 PHE HZ H 1 5.715 0.0060 . 1 . . . . 60 PHE HZ . 15740 1 688 . 1 1 56 56 PHE C C 13 178.307 0.0447 . 1 . . . . 60 PHE C . 15740 1 689 . 1 1 56 56 PHE CA C 13 56.102 0.0650 . 1 . . . . 60 PHE CA . 15740 1 690 . 1 1 56 56 PHE CB C 13 34.701 0.0770 . 1 . . . . 60 PHE CB . 15740 1 691 . 1 1 56 56 PHE CD1 C 13 128.054 0.0447 . 3 . . . . 60 PHE CD1 . 15740 1 692 . 1 1 56 56 PHE CD2 C 13 128.054 0.0447 . 3 . . . . 60 PHE CD2 . 15740 1 693 . 1 1 56 56 PHE CE1 C 13 130.958 0.0447 . 3 . . . . 60 PHE CE1 . 15740 1 694 . 1 1 56 56 PHE CE2 C 13 130.958 0.0447 . 3 . . . . 60 PHE CE2 . 15740 1 695 . 1 1 56 56 PHE CZ C 13 126.644 0.0447 . 1 . . . . 60 PHE CZ . 15740 1 696 . 1 1 56 56 PHE N N 15 118.978 0.0470 . 1 . . . . 60 PHE N . 15740 1 697 . 1 1 57 57 ASP H H 1 8.303 0.0110 . 1 . . . . 61 ASP H . 15740 1 698 . 1 1 57 57 ASP HA H 1 4.093 0.0100 . 1 . . . . 61 ASP HA . 15740 1 699 . 1 1 57 57 ASP HB2 H 1 2.998 0.0050 . 1 . . . . 61 ASP HB2 . 15740 1 700 . 1 1 57 57 ASP HB3 H 1 2.595 0.0060 . 1 . . . . 61 ASP HB3 . 15740 1 701 . 1 1 57 57 ASP C C 13 178.088 0.0447 . 1 . . . . 61 ASP C . 15740 1 702 . 1 1 57 57 ASP CA C 13 58.597 0.0140 . 1 . . . . 61 ASP CA . 15740 1 703 . 1 1 57 57 ASP CB C 13 39.811 0.0450 . 1 . . . . 61 ASP CB . 15740 1 704 . 1 1 57 57 ASP N N 15 124.193 0.0200 . 1 . . . . 61 ASP N . 15740 1 705 . 1 1 58 58 ASP H H 1 7.406 0.0060 . 1 . . . . 62 ASP H . 15740 1 706 . 1 1 58 58 ASP HA H 1 4.523 0.0040 . 1 . . . . 62 ASP HA . 15740 1 707 . 1 1 58 58 ASP HB2 H 1 2.872 0.0180 . 1 . . . . 62 ASP HB2 . 15740 1 708 . 1 1 58 58 ASP HB3 H 1 2.747 0.0050 . 1 . . . . 62 ASP HB3 . 15740 1 709 . 1 1 58 58 ASP C C 13 179.219 0.0447 . 1 . . . . 62 ASP C . 15740 1 710 . 1 1 58 58 ASP CA C 13 57.078 0.0500 . 1 . . . . 62 ASP CA . 15740 1 711 . 1 1 58 58 ASP CB C 13 40.775 0.0470 . 1 . . . . 62 ASP CB . 15740 1 712 . 1 1 58 58 ASP N N 15 116.698 0.0200 . 1 . . . . 62 ASP N . 15740 1 713 . 1 1 59 59 VAL H H 1 7.194 0.0060 . 1 . . . . 63 VAL H . 15740 1 714 . 1 1 59 59 VAL HA H 1 3.691 0.0160 . 1 . . . . 63 VAL HA . 15740 1 715 . 1 1 59 59 VAL HB H 1 2.213 0.0090 . 1 . . . . 63 VAL HB . 15740 1 716 . 1 1 59 59 VAL HG11 H 1 1.230 0.0100 . 1 . . . . 63 VAL HG11 . 15740 1 717 . 1 1 59 59 VAL HG12 H 1 1.230 0.0100 . 1 . . . . 63 VAL HG12 . 15740 1 718 . 1 1 59 59 VAL HG13 H 1 1.230 0.0100 . 1 . . . . 63 VAL HG13 . 15740 1 719 . 1 1 59 59 VAL HG21 H 1 1.022 0.0090 . 1 . . . . 63 VAL HG21 . 15740 1 720 . 1 1 59 59 VAL HG22 H 1 1.022 0.0090 . 1 . . . . 63 VAL HG22 . 15740 1 721 . 1 1 59 59 VAL HG23 H 1 1.022 0.0090 . 1 . . . . 63 VAL HG23 . 15740 1 722 . 1 1 59 59 VAL C C 13 177.961 0.0447 . 1 . . . . 63 VAL C . 15740 1 723 . 1 1 59 59 VAL CA C 13 66.150 0.1210 . 1 . . . . 63 VAL CA . 15740 1 724 . 1 1 59 59 VAL CB C 13 31.128 0.1070 . 1 . . . . 63 VAL CB . 15740 1 725 . 1 1 59 59 VAL CG1 C 13 22.362 0.0420 . 1 . . . . 63 VAL CG1 . 15740 1 726 . 1 1 59 59 VAL CG2 C 13 21.923 0.0550 . 1 . . . . 63 VAL CG2 . 15740 1 727 . 1 1 59 59 VAL N N 15 120.684 0.0320 . 1 . . . . 63 VAL N . 15740 1 728 . 1 1 60 60 ALA H H 1 8.232 0.0070 . 1 . . . . 64 ALA H . 15740 1 729 . 1 1 60 60 ALA HA H 1 4.255 0.0110 . 1 . . . . 64 ALA HA . 15740 1 730 . 1 1 60 60 ALA HB1 H 1 1.831 0.0090 . 1 . . . . 64 ALA HB1 . 15740 1 731 . 1 1 60 60 ALA HB2 H 1 1.831 0.0090 . 1 . . . . 64 ALA HB2 . 15740 1 732 . 1 1 60 60 ALA HB3 H 1 1.831 0.0090 . 1 . . . . 64 ALA HB3 . 15740 1 733 . 1 1 60 60 ALA C C 13 179.282 0.0447 . 1 . . . . 64 ALA C . 15740 1 734 . 1 1 60 60 ALA CA C 13 56.078 0.0210 . 1 . . . . 64 ALA CA . 15740 1 735 . 1 1 60 60 ALA CB C 13 17.666 0.0600 . 1 . . . . 64 ALA CB . 15740 1 736 . 1 1 60 60 ALA N N 15 121.352 0.0300 . 1 . . . . 64 ALA N . 15740 1 737 . 1 1 61 61 ILE H H 1 7.945 0.0080 . 1 . . . . 65 ILE H . 15740 1 738 . 1 1 61 61 ILE HA H 1 3.520 0.0080 . 1 . . . . 65 ILE HA . 15740 1 739 . 1 1 61 61 ILE HB H 1 1.978 0.0090 . 1 . . . . 65 ILE HB . 15740 1 740 . 1 1 61 61 ILE HD11 H 1 0.945 0.0120 . 1 . . . . 65 ILE HD11 . 15740 1 741 . 1 1 61 61 ILE HD12 H 1 0.945 0.0120 . 1 . . . . 65 ILE HD12 . 15740 1 742 . 1 1 61 61 ILE HD13 H 1 0.945 0.0120 . 1 . . . . 65 ILE HD13 . 15740 1 743 . 1 1 61 61 ILE HG12 H 1 1.850 0.0100 . 1 . . . . 65 ILE HG12 . 15740 1 744 . 1 1 61 61 ILE HG13 H 1 1.099 0.0050 . 1 . . . . 65 ILE HG13 . 15740 1 745 . 1 1 61 61 ILE HG21 H 1 0.948 0.0120 . 1 . . . . 65 ILE HG21 . 15740 1 746 . 1 1 61 61 ILE HG22 H 1 0.948 0.0120 . 1 . . . . 65 ILE HG22 . 15740 1 747 . 1 1 61 61 ILE HG23 H 1 0.948 0.0120 . 1 . . . . 65 ILE HG23 . 15740 1 748 . 1 1 61 61 ILE C C 13 178.194 0.0447 . 1 . . . . 65 ILE C . 15740 1 749 . 1 1 61 61 ILE CA C 13 65.920 0.0890 . 1 . . . . 65 ILE CA . 15740 1 750 . 1 1 61 61 ILE CB C 13 38.008 0.0350 . 1 . . . . 65 ILE CB . 15740 1 751 . 1 1 61 61 ILE CD1 C 13 13.280 0.0840 . 1 . . . . 65 ILE CD1 . 15740 1 752 . 1 1 61 61 ILE CG1 C 13 29.563 0.1030 . 1 . . . . 65 ILE CG1 . 15740 1 753 . 1 1 61 61 ILE CG2 C 13 17.400 0.0447 . 1 . . . . 65 ILE CG2 . 15740 1 754 . 1 1 61 61 ILE N N 15 117.889 0.0540 . 1 . . . . 65 ILE N . 15740 1 755 . 1 1 62 62 ARG H H 1 7.747 0.0070 . 1 . . . . 66 ARG H . 15740 1 756 . 1 1 62 62 ARG HA H 1 4.107 0.0070 . 1 . . . . 66 ARG HA . 15740 1 757 . 1 1 62 62 ARG HB2 H 1 1.968 0.0060 . 1 . . . . 66 ARG HB2 . 15740 1 758 . 1 1 62 62 ARG HB3 H 1 1.967 0.0070 . 1 . . . . 66 ARG HB3 . 15740 1 759 . 1 1 62 62 ARG HD2 H 1 3.242 0.0050 . 1 . . . . 66 ARG HD2 . 15740 1 760 . 1 1 62 62 ARG HD3 H 1 3.243 0.0060 . 1 . . . . 66 ARG HD3 . 15740 1 761 . 1 1 62 62 ARG HG2 H 1 1.757 0.0120 . 1 . . . . 66 ARG HG2 . 15740 1 762 . 1 1 62 62 ARG HG3 H 1 1.755 0.0140 . 1 . . . . 66 ARG HG3 . 15740 1 763 . 1 1 62 62 ARG C C 13 177.418 0.0447 . 1 . . . . 66 ARG C . 15740 1 764 . 1 1 62 62 ARG CA C 13 59.038 0.0740 . 1 . . . . 66 ARG CA . 15740 1 765 . 1 1 62 62 ARG CB C 13 30.223 0.0810 . 1 . . . . 66 ARG CB . 15740 1 766 . 1 1 62 62 ARG CD C 13 43.599 0.0900 . 1 . . . . 66 ARG CD . 15740 1 767 . 1 1 62 62 ARG CG C 13 27.627 0.0960 . 1 . . . . 66 ARG CG . 15740 1 768 . 1 1 62 62 ARG N N 15 119.087 0.0390 . 1 . . . . 66 ARG N . 15740 1 769 . 1 1 63 63 TYR H H 1 8.631 0.0090 . 1 . . . . 67 TYR H . 15740 1 770 . 1 1 63 63 TYR HA H 1 4.046 0.0080 . 1 . . . . 67 TYR HA . 15740 1 771 . 1 1 63 63 TYR HB2 H 1 2.904 0.0060 . 1 . . . . 67 TYR HB2 . 15740 1 772 . 1 1 63 63 TYR HB3 H 1 2.547 0.0110 . 1 . . . . 67 TYR HB3 . 15740 1 773 . 1 1 63 63 TYR HD1 H 1 6.039 0.0090 . 3 . . . . 67 TYR HD1 . 15740 1 774 . 1 1 63 63 TYR HD2 H 1 6.039 0.0090 . 3 . . . . 67 TYR HD2 . 15740 1 775 . 1 1 63 63 TYR HE1 H 1 6.455 0.0130 . 3 . . . . 67 TYR HE1 . 15740 1 776 . 1 1 63 63 TYR HE2 H 1 6.455 0.0130 . 3 . . . . 67 TYR HE2 . 15740 1 777 . 1 1 63 63 TYR C C 13 177.240 0.0447 . 1 . . . . 67 TYR C . 15740 1 778 . 1 1 63 63 TYR CA C 13 61.200 0.0850 . 1 . . . . 67 TYR CA . 15740 1 779 . 1 1 63 63 TYR CB C 13 40.694 0.0530 . 1 . . . . 67 TYR CB . 15740 1 780 . 1 1 63 63 TYR CD1 C 13 132.882 0.0447 . 3 . . . . 67 TYR CD1 . 15740 1 781 . 1 1 63 63 TYR CD2 C 13 132.882 0.0447 . 3 . . . . 67 TYR CD2 . 15740 1 782 . 1 1 63 63 TYR CE1 C 13 117.552 0.0447 . 3 . . . . 67 TYR CE1 . 15740 1 783 . 1 1 63 63 TYR CE2 C 13 117.552 0.0447 . 3 . . . . 67 TYR CE2 . 15740 1 784 . 1 1 63 63 TYR N N 15 120.221 0.0400 . 1 . . . . 67 TYR N . 15740 1 785 . 1 1 64 64 TYR H H 1 8.598 0.0080 . 1 . . . . 68 TYR H . 15740 1 786 . 1 1 64 64 TYR HA H 1 4.389 0.0290 . 1 . . . . 68 TYR HA . 15740 1 787 . 1 1 64 64 TYR HB2 H 1 2.946 0.0270 . 1 . . . . 68 TYR HB2 . 15740 1 788 . 1 1 64 64 TYR HB3 H 1 2.915 0.0140 . 1 . . . . 68 TYR HB3 . 15740 1 789 . 1 1 64 64 TYR HD1 H 1 7.294 0.0070 . 3 . . . . 68 TYR HD1 . 15740 1 790 . 1 1 64 64 TYR HD2 H 1 7.294 0.0070 . 3 . . . . 68 TYR HD2 . 15740 1 791 . 1 1 64 64 TYR HE1 H 1 6.821 0.0110 . 3 . . . . 68 TYR HE1 . 15740 1 792 . 1 1 64 64 TYR HE2 H 1 6.821 0.0110 . 3 . . . . 68 TYR HE2 . 15740 1 793 . 1 1 64 64 TYR C C 13 177.492 0.0447 . 1 . . . . 68 TYR C . 15740 1 794 . 1 1 64 64 TYR CA C 13 60.521 0.0620 . 1 . . . . 68 TYR CA . 15740 1 795 . 1 1 64 64 TYR CB C 13 39.814 0.1550 . 1 . . . . 68 TYR CB . 15740 1 796 . 1 1 64 64 TYR CD1 C 13 132.957 0.0447 . 3 . . . . 68 TYR CD1 . 15740 1 797 . 1 1 64 64 TYR CD2 C 13 132.957 0.0447 . 3 . . . . 68 TYR CD2 . 15740 1 798 . 1 1 64 64 TYR CE1 C 13 118.611 0.0447 . 3 . . . . 68 TYR CE1 . 15740 1 799 . 1 1 64 64 TYR CE2 C 13 118.611 0.0447 . 3 . . . . 68 TYR CE2 . 15740 1 800 . 1 1 64 64 TYR N N 15 114.134 0.0200 . 1 . . . . 68 TYR N . 15740 1 801 . 1 1 65 65 GLY H H 1 7.556 0.0050 . 1 . . . . 69 GLY H . 15740 1 802 . 1 1 65 65 GLY HA2 H 1 4.509 0.0070 . 1 . . . . 69 GLY HA2 . 15740 1 803 . 1 1 65 65 GLY HA3 H 1 4.006 0.0040 . 1 . . . . 69 GLY HA3 . 15740 1 804 . 1 1 65 65 GLY C C 13 174.417 0.0447 . 1 . . . . 69 GLY C . 15740 1 805 . 1 1 65 65 GLY CA C 13 44.358 0.0730 . 1 . . . . 69 GLY CA . 15740 1 806 . 1 1 65 65 GLY N N 15 108.374 0.0520 . 1 . . . . 69 GLY N . 15740 1 807 . 1 1 66 66 ILE H H 1 8.592 0.0060 . 1 . . . . 70 ILE H . 15740 1 808 . 1 1 66 66 ILE HA H 1 3.880 0.0060 . 1 . . . . 70 ILE HA . 15740 1 809 . 1 1 66 66 ILE HB H 1 1.827 0.0080 . 1 . . . . 70 ILE HB . 15740 1 810 . 1 1 66 66 ILE HD11 H 1 0.930 0.0090 . 1 . . . . 70 ILE HD11 . 15740 1 811 . 1 1 66 66 ILE HD12 H 1 0.930 0.0090 . 1 . . . . 70 ILE HD12 . 15740 1 812 . 1 1 66 66 ILE HD13 H 1 0.930 0.0090 . 1 . . . . 70 ILE HD13 . 15740 1 813 . 1 1 66 66 ILE HG12 H 1 1.491 0.0070 . 1 . . . . 70 ILE HG12 . 15740 1 814 . 1 1 66 66 ILE HG13 H 1 1.326 0.0050 . 1 . . . . 70 ILE HG13 . 15740 1 815 . 1 1 66 66 ILE HG21 H 1 0.931 0.0120 . 1 . . . . 70 ILE HG21 . 15740 1 816 . 1 1 66 66 ILE HG22 H 1 0.931 0.0120 . 1 . . . . 70 ILE HG22 . 15740 1 817 . 1 1 66 66 ILE HG23 H 1 0.931 0.0120 . 1 . . . . 70 ILE HG23 . 15740 1 818 . 1 1 66 66 ILE C C 13 176.306 0.0447 . 1 . . . . 70 ILE C . 15740 1 819 . 1 1 66 66 ILE CA C 13 63.311 0.0670 . 1 . . . . 70 ILE CA . 15740 1 820 . 1 1 66 66 ILE CB C 13 38.523 0.0770 . 1 . . . . 70 ILE CB . 15740 1 821 . 1 1 66 66 ILE CD1 C 13 13.417 0.0940 . 1 . . . . 70 ILE CD1 . 15740 1 822 . 1 1 66 66 ILE CG1 C 13 28.880 0.0800 . 1 . . . . 70 ILE CG1 . 15740 1 823 . 1 1 66 66 ILE CG2 C 13 17.384 0.1280 . 1 . . . . 70 ILE CG2 . 15740 1 824 . 1 1 66 66 ILE N N 15 122.699 0.0250 . 1 . . . . 70 ILE N . 15740 1 825 . 1 1 67 67 ASP H H 1 8.411 0.0060 . 1 . . . . 71 ASP H . 15740 1 826 . 1 1 67 67 ASP HA H 1 4.457 0.0070 . 1 . . . . 71 ASP HA . 15740 1 827 . 1 1 67 67 ASP HB2 H 1 2.703 0.0050 . 1 . . . . 71 ASP HB2 . 15740 1 828 . 1 1 67 67 ASP HB3 H 1 2.587 0.0110 . 1 . . . . 71 ASP HB3 . 15740 1 829 . 1 1 67 67 ASP C C 13 178.292 0.0447 . 1 . . . . 71 ASP C . 15740 1 830 . 1 1 67 67 ASP CA C 13 56.660 0.1960 . 1 . . . . 71 ASP CA . 15740 1 831 . 1 1 67 67 ASP CB C 13 39.924 0.0920 . 1 . . . . 71 ASP CB . 15740 1 832 . 1 1 67 67 ASP N N 15 119.577 0.0240 . 1 . . . . 71 ASP N . 15740 1 833 . 1 1 68 68 LYS H H 1 7.829 0.0120 . 1 . . . . 72 LYS H . 15740 1 834 . 1 1 68 68 LYS HA H 1 4.259 0.0060 . 1 . . . . 72 LYS HA . 15740 1 835 . 1 1 68 68 LYS HB2 H 1 1.896 0.0180 . 1 . . . . 72 LYS HB2 . 15740 1 836 . 1 1 68 68 LYS HB3 H 1 1.888 0.0090 . 1 . . . . 72 LYS HB3 . 15740 1 837 . 1 1 68 68 LYS HD2 H 1 1.811 0.0200 . 1 . . . . 72 LYS HD2 . 15740 1 838 . 1 1 68 68 LYS HD3 H 1 1.810 0.0220 . 1 . . . . 72 LYS HD3 . 15740 1 839 . 1 1 68 68 LYS HE2 H 1 2.966 0.0120 . 1 . . . . 72 LYS HE2 . 15740 1 840 . 1 1 68 68 LYS HE3 H 1 2.965 0.0110 . 1 . . . . 72 LYS HE3 . 15740 1 841 . 1 1 68 68 LYS HG2 H 1 1.561 0.0110 . 1 . . . . 72 LYS HG2 . 15740 1 842 . 1 1 68 68 LYS HG3 H 1 1.450 0.0010 . 1 . . . . 72 LYS HG3 . 15740 1 843 . 1 1 68 68 LYS C C 13 178.259 0.0447 . 1 . . . . 72 LYS C . 15740 1 844 . 1 1 68 68 LYS CA C 13 56.807 0.3090 . 1 . . . . 72 LYS CA . 15740 1 845 . 1 1 68 68 LYS CB C 13 31.718 0.1230 . 1 . . . . 72 LYS CB . 15740 1 846 . 1 1 68 68 LYS CD C 13 27.729 0.2770 . 1 . . . . 72 LYS CD . 15740 1 847 . 1 1 68 68 LYS CE C 13 41.873 0.0030 . 1 . . . . 72 LYS CE . 15740 1 848 . 1 1 68 68 LYS CG C 13 24.516 0.0840 . 1 . . . . 72 LYS CG . 15740 1 849 . 1 1 68 68 LYS N N 15 120.734 0.0300 . 1 . . . . 72 LYS N . 15740 1 850 . 1 1 69 69 ILE H H 1 7.912 0.0080 . 1 . . . . 73 ILE H . 15740 1 851 . 1 1 69 69 ILE HA H 1 3.453 0.0110 . 1 . . . . 73 ILE HA . 15740 1 852 . 1 1 69 69 ILE HB H 1 1.971 0.0090 . 1 . . . . 73 ILE HB . 15740 1 853 . 1 1 69 69 ILE HD11 H 1 0.744 0.0170 . 1 . . . . 73 ILE HD11 . 15740 1 854 . 1 1 69 69 ILE HD12 H 1 0.744 0.0170 . 1 . . . . 73 ILE HD12 . 15740 1 855 . 1 1 69 69 ILE HD13 H 1 0.744 0.0170 . 1 . . . . 73 ILE HD13 . 15740 1 856 . 1 1 69 69 ILE HG12 H 1 1.626 0.0100 . 1 . . . . 73 ILE HG12 . 15740 1 857 . 1 1 69 69 ILE HG13 H 1 1.036 0.0130 . 1 . . . . 73 ILE HG13 . 15740 1 858 . 1 1 69 69 ILE HG21 H 1 0.782 0.0150 . 1 . . . . 73 ILE HG21 . 15740 1 859 . 1 1 69 69 ILE HG22 H 1 0.782 0.0150 . 1 . . . . 73 ILE HG22 . 15740 1 860 . 1 1 69 69 ILE HG23 H 1 0.782 0.0150 . 1 . . . . 73 ILE HG23 . 15740 1 861 . 1 1 69 69 ILE C C 13 176.524 0.0447 . 1 . . . . 73 ILE C . 15740 1 862 . 1 1 69 69 ILE CA C 13 65.186 0.0780 . 1 . . . . 73 ILE CA . 15740 1 863 . 1 1 69 69 ILE CB C 13 36.854 0.1170 . 1 . . . . 73 ILE CB . 15740 1 864 . 1 1 69 69 ILE CD1 C 13 13.382 0.1150 . 1 . . . . 73 ILE CD1 . 15740 1 865 . 1 1 69 69 ILE CG1 C 13 28.837 0.0700 . 1 . . . . 73 ILE CG1 . 15740 1 866 . 1 1 69 69 ILE CG2 C 13 16.575 0.0250 . 1 . . . . 73 ILE CG2 . 15740 1 867 . 1 1 69 69 ILE N N 15 118.918 0.0590 . 1 . . . . 73 ILE N . 15740 1 868 . 1 1 70 70 ASN H H 1 8.117 0.0090 . 1 . . . . 74 ASN H . 15740 1 869 . 1 1 70 70 ASN HA H 1 4.264 0.0060 . 1 . . . . 74 ASN HA . 15740 1 870 . 1 1 70 70 ASN HB2 H 1 2.810 0.0190 . 1 . . . . 74 ASN HB2 . 15740 1 871 . 1 1 70 70 ASN HB3 H 1 2.757 0.0280 . 1 . . . . 74 ASN HB3 . 15740 1 872 . 1 1 70 70 ASN HD21 H 1 7.694 0.0160 . 1 . . . . 74 ASN HD21 . 15740 1 873 . 1 1 70 70 ASN HD22 H 1 6.771 0.0050 . 1 . . . . 74 ASN HD22 . 15740 1 874 . 1 1 70 70 ASN C C 13 177.480 0.0447 . 1 . . . . 74 ASN C . 15740 1 875 . 1 1 70 70 ASN CA C 13 56.184 0.0480 . 1 . . . . 74 ASN CA . 15740 1 876 . 1 1 70 70 ASN CB C 13 37.412 0.0430 . 1 . . . . 74 ASN CB . 15740 1 877 . 1 1 70 70 ASN N N 15 117.367 0.0260 . 1 . . . . 74 ASN N . 15740 1 878 . 1 1 70 70 ASN ND2 N 15 112.268 0.0460 . 1 . . . . 74 ASN ND2 . 15740 1 879 . 1 1 71 71 GLU H H 1 7.744 0.0060 . 1 . . . . 75 GLU H . 15740 1 880 . 1 1 71 71 GLU HA H 1 3.956 0.0060 . 1 . . . . 75 GLU HA . 15740 1 881 . 1 1 71 71 GLU HB2 H 1 2.141 0.0050 . 1 . . . . 75 GLU HB2 . 15740 1 882 . 1 1 71 71 GLU HB3 H 1 2.140 0.0050 . 1 . . . . 75 GLU HB3 . 15740 1 883 . 1 1 71 71 GLU HG2 H 1 2.346 0.0110 . 1 . . . . 75 GLU HG2 . 15740 1 884 . 1 1 71 71 GLU HG3 H 1 2.335 0.0190 . 1 . . . . 75 GLU HG3 . 15740 1 885 . 1 1 71 71 GLU C C 13 179.171 0.0447 . 1 . . . . 75 GLU C . 15740 1 886 . 1 1 71 71 GLU CA C 13 59.254 0.0670 . 1 . . . . 75 GLU CA . 15740 1 887 . 1 1 71 71 GLU CB C 13 29.843 0.0190 . 1 . . . . 75 GLU CB . 15740 1 888 . 1 1 71 71 GLU CG C 13 36.092 0.0620 . 1 . . . . 75 GLU CG . 15740 1 889 . 1 1 71 71 GLU N N 15 120.312 0.0280 . 1 . . . . 75 GLU N . 15740 1 890 . 1 1 72 72 ILE H H 1 8.135 0.0060 . 1 . . . . 76 ILE H . 15740 1 891 . 1 1 72 72 ILE HA H 1 3.453 0.0040 . 1 . . . . 76 ILE HA . 15740 1 892 . 1 1 72 72 ILE HB H 1 1.636 0.0140 . 1 . . . . 76 ILE HB . 15740 1 893 . 1 1 72 72 ILE HD11 H 1 0.441 0.0110 . 1 . . . . 76 ILE HD11 . 15740 1 894 . 1 1 72 72 ILE HD12 H 1 0.441 0.0110 . 1 . . . . 76 ILE HD12 . 15740 1 895 . 1 1 72 72 ILE HD13 H 1 0.441 0.0110 . 1 . . . . 76 ILE HD13 . 15740 1 896 . 1 1 72 72 ILE HG12 H 1 0.736 0.0080 . 1 . . . . 76 ILE HG12 . 15740 1 897 . 1 1 72 72 ILE HG13 H 1 0.735 0.0080 . 1 . . . . 76 ILE HG13 . 15740 1 898 . 1 1 72 72 ILE HG21 H 1 0.578 0.0130 . 1 . . . . 76 ILE HG21 . 15740 1 899 . 1 1 72 72 ILE HG22 H 1 0.578 0.0130 . 1 . . . . 76 ILE HG22 . 15740 1 900 . 1 1 72 72 ILE HG23 H 1 0.578 0.0130 . 1 . . . . 76 ILE HG23 . 15740 1 901 . 1 1 72 72 ILE C C 13 177.819 0.0447 . 1 . . . . 76 ILE C . 15740 1 902 . 1 1 72 72 ILE CA C 13 65.180 0.0760 . 1 . . . . 76 ILE CA . 15740 1 903 . 1 1 72 72 ILE CB C 13 38.134 0.0830 . 1 . . . . 76 ILE CB . 15740 1 904 . 1 1 72 72 ILE CD1 C 13 13.511 0.0340 . 1 . . . . 76 ILE CD1 . 15740 1 905 . 1 1 72 72 ILE CG1 C 13 28.800 0.0270 . 1 . . . . 76 ILE CG1 . 15740 1 906 . 1 1 72 72 ILE CG2 C 13 17.206 0.0420 . 1 . . . . 76 ILE CG2 . 15740 1 907 . 1 1 72 72 ILE N N 15 121.608 0.0250 . 1 . . . . 76 ILE N . 15740 1 908 . 1 1 73 73 VAL H H 1 8.402 0.0060 . 1 . . . . 77 VAL H . 15740 1 909 . 1 1 73 73 VAL HA H 1 3.299 0.0090 . 1 . . . . 77 VAL HA . 15740 1 910 . 1 1 73 73 VAL HB H 1 1.851 0.0060 . 1 . . . . 77 VAL HB . 15740 1 911 . 1 1 73 73 VAL HG11 H 1 0.691 0.0070 . 1 . . . . 77 VAL HG11 . 15740 1 912 . 1 1 73 73 VAL HG12 H 1 0.691 0.0070 . 1 . . . . 77 VAL HG12 . 15740 1 913 . 1 1 73 73 VAL HG13 H 1 0.691 0.0070 . 1 . . . . 77 VAL HG13 . 15740 1 914 . 1 1 73 73 VAL HG21 H 1 0.407 0.0080 . 1 . . . . 77 VAL HG21 . 15740 1 915 . 1 1 73 73 VAL HG22 H 1 0.407 0.0080 . 1 . . . . 77 VAL HG22 . 15740 1 916 . 1 1 73 73 VAL HG23 H 1 0.407 0.0080 . 1 . . . . 77 VAL HG23 . 15740 1 917 . 1 1 73 73 VAL C C 13 178.484 0.0447 . 1 . . . . 77 VAL C . 15740 1 918 . 1 1 73 73 VAL CA C 13 66.738 0.1090 . 1 . . . . 77 VAL CA . 15740 1 919 . 1 1 73 73 VAL CB C 13 31.242 0.0790 . 1 . . . . 77 VAL CB . 15740 1 920 . 1 1 73 73 VAL CG1 C 13 22.337 0.0550 . 1 . . . . 77 VAL CG1 . 15740 1 921 . 1 1 73 73 VAL CG2 C 13 20.918 0.0410 . 1 . . . . 77 VAL CG2 . 15740 1 922 . 1 1 73 73 VAL N N 15 118.269 0.0330 . 1 . . . . 77 VAL N . 15740 1 923 . 1 1 74 74 GLU H H 1 7.745 0.0070 . 1 . . . . 78 GLU H . 15740 1 924 . 1 1 74 74 GLU HA H 1 3.951 0.0080 . 1 . . . . 78 GLU HA . 15740 1 925 . 1 1 74 74 GLU HB2 H 1 1.997 0.0210 . 1 . . . . 78 GLU HB2 . 15740 1 926 . 1 1 74 74 GLU HB3 H 1 1.995 0.0200 . 1 . . . . 78 GLU HB3 . 15740 1 927 . 1 1 74 74 GLU HG2 H 1 2.304 0.0100 . 1 . . . . 78 GLU HG2 . 15740 1 928 . 1 1 74 74 GLU HG3 H 1 2.157 0.0300 . 1 . . . . 78 GLU HG3 . 15740 1 929 . 1 1 74 74 GLU C C 13 178.994 0.0447 . 1 . . . . 78 GLU C . 15740 1 930 . 1 1 74 74 GLU CA C 13 59.145 0.1040 . 1 . . . . 78 GLU CA . 15740 1 931 . 1 1 74 74 GLU CB C 13 29.705 0.3720 . 1 . . . . 78 GLU CB . 15740 1 932 . 1 1 74 74 GLU CG C 13 36.101 0.0470 . 1 . . . . 78 GLU CG . 15740 1 933 . 1 1 74 74 GLU N N 15 118.405 0.0690 . 1 . . . . 78 GLU N . 15740 1 934 . 1 1 75 75 ALA H H 1 7.909 0.0070 . 1 . . . . 79 ALA H . 15740 1 935 . 1 1 75 75 ALA HA H 1 4.209 0.0090 . 1 . . . . 79 ALA HA . 15740 1 936 . 1 1 75 75 ALA HB1 H 1 1.372 0.0060 . 1 . . . . 79 ALA HB1 . 15740 1 937 . 1 1 75 75 ALA HB2 H 1 1.372 0.0060 . 1 . . . . 79 ALA HB2 . 15740 1 938 . 1 1 75 75 ALA HB3 H 1 1.372 0.0060 . 1 . . . . 79 ALA HB3 . 15740 1 939 . 1 1 75 75 ALA C C 13 180.170 0.0447 . 1 . . . . 79 ALA C . 15740 1 940 . 1 1 75 75 ALA CA C 13 54.594 0.0260 . 1 . . . . 79 ALA CA . 15740 1 941 . 1 1 75 75 ALA CB C 13 18.287 0.0310 . 1 . . . . 79 ALA CB . 15740 1 942 . 1 1 75 75 ALA N N 15 122.171 0.0390 . 1 . . . . 79 ALA N . 15740 1 943 . 1 1 76 76 MET H H 1 8.247 0.0220 . 1 . . . . 80 MET H . 15740 1 944 . 1 1 76 76 MET HA H 1 4.523 0.0140 . 1 . . . . 80 MET HA . 15740 1 945 . 1 1 76 76 MET HB2 H 1 2.145 0.0220 . 1 . . . . 80 MET HB2 . 15740 1 946 . 1 1 76 76 MET HB3 H 1 2.078 0.0240 . 1 . . . . 80 MET HB3 . 15740 1 947 . 1 1 76 76 MET HE1 H 1 2.063 0.0180 . 1 . . . . 80 MET HE1 . 15740 1 948 . 1 1 76 76 MET HE2 H 1 2.063 0.0180 . 1 . . . . 80 MET HE2 . 15740 1 949 . 1 1 76 76 MET HE3 H 1 2.063 0.0180 . 1 . . . . 80 MET HE3 . 15740 1 950 . 1 1 76 76 MET HG2 H 1 2.593 0.0120 . 1 . . . . 80 MET HG2 . 15740 1 951 . 1 1 76 76 MET HG3 H 1 2.592 0.0110 . 1 . . . . 80 MET HG3 . 15740 1 952 . 1 1 76 76 MET C C 13 178.511 0.0447 . 1 . . . . 80 MET C . 15740 1 953 . 1 1 76 76 MET CA C 13 56.417 0.1160 . 1 . . . . 80 MET CA . 15740 1 954 . 1 1 76 76 MET CB C 13 32.750 0.0110 . 1 . . . . 80 MET CB . 15740 1 955 . 1 1 76 76 MET CE C 13 17.124 0.0390 . 1 . . . . 80 MET CE . 15740 1 956 . 1 1 76 76 MET CG C 13 32.586 0.0270 . 1 . . . . 80 MET CG . 15740 1 957 . 1 1 76 76 MET N N 15 115.846 0.0450 . 1 . . . . 80 MET N . 15740 1 958 . 1 1 77 77 SER H H 1 8.143 0.0080 . 1 . . . . 81 SER H . 15740 1 959 . 1 1 77 77 SER HA H 1 4.466 0.0180 . 1 . . . . 81 SER HA . 15740 1 960 . 1 1 77 77 SER HB2 H 1 4.065 0.0110 . 1 . . . . 81 SER HB2 . 15740 1 961 . 1 1 77 77 SER HB3 H 1 4.058 0.0100 . 1 . . . . 81 SER HB3 . 15740 1 962 . 1 1 77 77 SER C C 13 174.636 0.0447 . 1 . . . . 81 SER C . 15740 1 963 . 1 1 77 77 SER CA C 13 60.585 0.1880 . 1 . . . . 81 SER CA . 15740 1 964 . 1 1 77 77 SER CB C 13 63.592 0.0340 . 1 . . . . 81 SER CB . 15740 1 965 . 1 1 77 77 SER N N 15 116.256 0.0260 . 1 . . . . 81 SER N . 15740 1 966 . 1 1 78 78 GLU H H 1 7.908 0.0070 . 1 . . . . 82 GLU H . 15740 1 967 . 1 1 78 78 GLU HA H 1 4.417 0.0040 . 1 . . . . 82 GLU HA . 15740 1 968 . 1 1 78 78 GLU HB2 H 1 2.186 0.0240 . 1 . . . . 82 GLU HB2 . 15740 1 969 . 1 1 78 78 GLU HB3 H 1 2.187 0.0230 . 1 . . . . 82 GLU HB3 . 15740 1 970 . 1 1 78 78 GLU C C 13 176.815 0.0447 . 1 . . . . 82 GLU C . 15740 1 971 . 1 1 78 78 GLU CA C 13 56.422 0.0280 . 1 . . . . 82 GLU CA . 15740 1 972 . 1 1 78 78 GLU CB C 13 30.544 0.0390 . 1 . . . . 82 GLU CB . 15740 1 973 . 1 1 78 78 GLU N N 15 119.814 0.1630 . 1 . . . . 82 GLU N . 15740 1 974 . 1 1 79 79 GLY H H 1 7.935 0.0080 . 1 . . . . 83 GLY H . 15740 1 975 . 1 1 79 79 GLY HA2 H 1 4.056 0.0060 . 1 . . . . 83 GLY HA2 . 15740 1 976 . 1 1 79 79 GLY HA3 H 1 3.871 0.0040 . 1 . . . . 83 GLY HA3 . 15740 1 977 . 1 1 79 79 GLY C C 13 173.664 0.0447 . 1 . . . . 83 GLY C . 15740 1 978 . 1 1 79 79 GLY CA C 13 45.513 0.0980 . 1 . . . . 83 GLY CA . 15740 1 979 . 1 1 79 79 GLY N N 15 107.958 0.0270 . 1 . . . . 83 GLY N . 15740 1 980 . 1 1 80 80 ASP H H 1 8.119 0.0090 . 1 . . . . 84 ASP H . 15740 1 981 . 1 1 80 80 ASP HA H 1 4.614 0.0070 . 1 . . . . 84 ASP HA . 15740 1 982 . 1 1 80 80 ASP HB2 H 1 2.592 0.0050 . 1 . . . . 84 ASP HB2 . 15740 1 983 . 1 1 80 80 ASP HB3 H 1 2.590 0.0030 . 1 . . . . 84 ASP HB3 . 15740 1 984 . 1 1 80 80 ASP C C 13 175.343 0.0447 . 1 . . . . 84 ASP C . 15740 1 985 . 1 1 80 80 ASP CA C 13 54.206 0.0150 . 1 . . . . 84 ASP CA . 15740 1 986 . 1 1 80 80 ASP CB C 13 41.271 0.0990 . 1 . . . . 84 ASP CB . 15740 1 987 . 1 1 80 80 ASP N N 15 119.395 0.0420 . 1 . . . . 84 ASP N . 15740 1 988 . 1 1 81 81 HIS H H 1 7.995 0.0180 . 1 . . . . 85 HIS H . 15740 1 989 . 1 1 81 81 HIS HA H 1 4.628 0.0030 . 1 . . . . 85 HIS HA . 15740 1 990 . 1 1 81 81 HIS HB2 H 1 2.994 0.0440 . 1 . . . . 85 HIS HB2 . 15740 1 991 . 1 1 81 81 HIS HB3 H 1 2.969 0.0060 . 1 . . . . 85 HIS HB3 . 15740 1 992 . 1 1 81 81 HIS C C 13 173.890 0.0447 . 1 . . . . 85 HIS C . 15740 1 993 . 1 1 81 81 HIS CA C 13 55.719 0.0750 . 1 . . . . 85 HIS CA . 15740 1 994 . 1 1 81 81 HIS CB C 13 31.217 0.0690 . 1 . . . . 85 HIS CB . 15740 1 995 . 1 1 81 81 HIS N N 15 118.952 0.0730 . 1 . . . . 85 HIS N . 15740 1 996 . 1 1 82 82 TYR H H 1 7.928 0.0160 . 1 . . . . 86 TYR H . 15740 1 997 . 1 1 82 82 TYR HA H 1 4.548 0.0080 . 1 . . . . 86 TYR HA . 15740 1 998 . 1 1 82 82 TYR HB3 H 1 2.787 0.0020 . 1 . . . . 86 TYR HB3 . 15740 1 999 . 1 1 82 82 TYR HD1 H 1 6.981 0.0140 . 3 . . . . 86 TYR HD1 . 15740 1 1000 . 1 1 82 82 TYR HD2 H 1 6.981 0.0140 . 3 . . . . 86 TYR HD2 . 15740 1 1001 . 1 1 82 82 TYR HE1 H 1 6.755 0.0140 . 3 . . . . 86 TYR HE1 . 15740 1 1002 . 1 1 82 82 TYR HE2 H 1 6.755 0.0140 . 3 . . . . 86 TYR HE2 . 15740 1 1003 . 1 1 82 82 TYR C C 13 175.318 0.0447 . 1 . . . . 86 TYR C . 15740 1 1004 . 1 1 82 82 TYR CA C 13 57.840 0.0950 . 1 . . . . 86 TYR CA . 15740 1 1005 . 1 1 82 82 TYR CB C 13 40.003 0.0260 . 1 . . . . 86 TYR CB . 15740 1 1006 . 1 1 82 82 TYR CD1 C 13 133.085 0.0447 . 3 . . . . 86 TYR CD1 . 15740 1 1007 . 1 1 82 82 TYR CD2 C 13 133.085 0.0447 . 3 . . . . 86 TYR CD2 . 15740 1 1008 . 1 1 82 82 TYR CE1 C 13 118.190 0.0447 . 3 . . . . 86 TYR CE1 . 15740 1 1009 . 1 1 82 82 TYR CE2 C 13 118.190 0.0447 . 3 . . . . 86 TYR CE2 . 15740 1 1010 . 1 1 82 82 TYR N N 15 120.714 0.1540 . 1 . . . . 86 TYR N . 15740 1 1011 . 1 1 83 83 ILE H H 1 8.181 0.0050 . 1 . . . . 87 ILE H . 15740 1 1012 . 1 1 83 83 ILE HA H 1 3.884 0.0113 . 1 . . . . 87 ILE HA . 15740 1 1013 . 1 1 83 83 ILE HB H 1 1.455 0.0090 . 1 . . . . 87 ILE HB . 15740 1 1014 . 1 1 83 83 ILE HD11 H 1 0.784 0.0230 . 1 . . . . 87 ILE HD11 . 15740 1 1015 . 1 1 83 83 ILE HD12 H 1 0.784 0.0230 . 1 . . . . 87 ILE HD12 . 15740 1 1016 . 1 1 83 83 ILE HD13 H 1 0.784 0.0230 . 1 . . . . 87 ILE HD13 . 15740 1 1017 . 1 1 83 83 ILE HG12 H 1 1.407 0.0113 . 1 . . . . 87 ILE HG12 . 15740 1 1018 . 1 1 83 83 ILE HG13 H 1 1.033 0.0030 . 1 . . . . 87 ILE HG13 . 15740 1 1019 . 1 1 83 83 ILE HG21 H 1 0.513 0.0180 . 1 . . . . 87 ILE HG21 . 15740 1 1020 . 1 1 83 83 ILE HG22 H 1 0.513 0.0180 . 1 . . . . 87 ILE HG22 . 15740 1 1021 . 1 1 83 83 ILE HG23 H 1 0.513 0.0180 . 1 . . . . 87 ILE HG23 . 15740 1 1022 . 1 1 83 83 ILE CA C 13 60.419 0.0160 . 1 . . . . 87 ILE CA . 15740 1 1023 . 1 1 83 83 ILE CB C 13 38.562 0.0447 . 1 . . . . 87 ILE CB . 15740 1 1024 . 1 1 83 83 ILE CD1 C 13 13.215 0.0447 . 1 . . . . 87 ILE CD1 . 15740 1 1025 . 1 1 83 83 ILE CG1 C 13 27.407 0.1320 . 1 . . . . 87 ILE CG1 . 15740 1 1026 . 1 1 83 83 ILE CG2 C 13 17.580 0.0447 . 1 . . . . 87 ILE CG2 . 15740 1 1027 . 1 1 83 83 ILE N N 15 122.019 0.0440 . 1 . . . . 87 ILE N . 15740 1 1028 . 1 1 84 84 ASN C C 13 176.003 0.0447 . 1 . . . . 88 ASN C . 15740 1 1029 . 1 1 84 84 ASN CA C 13 51.922 0.0447 . 1 . . . . 88 ASN CA . 15740 1 1030 . 1 1 84 84 ASN CB C 13 38.610 0.0447 . 1 . . . . 88 ASN CB . 15740 1 1031 . 1 1 85 85 PHE H H 1 8.805 0.0190 . 1 . . . . 89 PHE H . 15740 1 1032 . 1 1 85 85 PHE HA H 1 4.643 0.0070 . 1 . . . . 89 PHE HA . 15740 1 1033 . 1 1 85 85 PHE HB2 H 1 3.185 0.0113 . 1 . . . . 89 PHE HB2 . 15740 1 1034 . 1 1 85 85 PHE HB3 H 1 2.992 0.0113 . 1 . . . . 89 PHE HB3 . 15740 1 1035 . 1 1 85 85 PHE HD1 H 1 7.261 0.0113 . 3 . . . . 89 PHE HD1 . 15740 1 1036 . 1 1 85 85 PHE HD2 H 1 7.261 0.0113 . 3 . . . . 89 PHE HD2 . 15740 1 1037 . 1 1 85 85 PHE C C 13 176.851 0.0447 . 1 . . . . 89 PHE C . 15740 1 1038 . 1 1 85 85 PHE CA C 13 57.794 0.0530 . 1 . . . . 89 PHE CA . 15740 1 1039 . 1 1 85 85 PHE CB C 13 38.804 0.0610 . 1 . . . . 89 PHE CB . 15740 1 1040 . 1 1 85 85 PHE CD1 C 13 132.254 0.0447 . 3 . . . . 89 PHE CD1 . 15740 1 1041 . 1 1 85 85 PHE CD2 C 13 132.254 0.0447 . 3 . . . . 89 PHE CD2 . 15740 1 1042 . 1 1 85 85 PHE N N 15 124.543 0.0300 . 1 . . . . 89 PHE N . 15740 1 1043 . 1 1 86 86 THR H H 1 8.137 0.0050 . 1 . . . . 90 THR H . 15740 1 1044 . 1 1 86 86 THR HA H 1 4.373 0.0050 . 1 . . . . 90 THR HA . 15740 1 1045 . 1 1 86 86 THR HB H 1 4.760 0.0020 . 1 . . . . 90 THR HB . 15740 1 1046 . 1 1 86 86 THR HG21 H 1 1.305 0.0180 . 1 . . . . 90 THR HG21 . 15740 1 1047 . 1 1 86 86 THR HG22 H 1 1.305 0.0180 . 1 . . . . 90 THR HG22 . 15740 1 1048 . 1 1 86 86 THR HG23 H 1 1.305 0.0180 . 1 . . . . 90 THR HG23 . 15740 1 1049 . 1 1 86 86 THR C C 13 174.856 0.0447 . 1 . . . . 90 THR C . 15740 1 1050 . 1 1 86 86 THR CA C 13 63.357 0.0460 . 1 . . . . 90 THR CA . 15740 1 1051 . 1 1 86 86 THR CB C 13 69.529 0.0447 . 1 . . . . 90 THR CB . 15740 1 1052 . 1 1 86 86 THR N N 15 109.885 0.0300 . 1 . . . . 90 THR N . 15740 1 1053 . 1 1 87 87 LYS H H 1 7.526 0.0250 . 1 . . . . 91 LYS H . 15740 1 1054 . 1 1 87 87 LYS HA H 1 4.366 0.0130 . 1 . . . . 91 LYS HA . 15740 1 1055 . 1 1 87 87 LYS HB2 H 1 1.983 0.0150 . 1 . . . . 91 LYS HB2 . 15740 1 1056 . 1 1 87 87 LYS HB3 H 1 1.748 0.0150 . 1 . . . . 91 LYS HB3 . 15740 1 1057 . 1 1 87 87 LYS C C 13 175.916 0.0447 . 1 . . . . 91 LYS C . 15740 1 1058 . 1 1 87 87 LYS CA C 13 55.649 0.0580 . 1 . . . . 91 LYS CA . 15740 1 1059 . 1 1 87 87 LYS CB C 13 32.174 0.0440 . 1 . . . . 91 LYS CB . 15740 1 1060 . 1 1 87 87 LYS N N 15 119.432 0.0460 . 1 . . . . 91 LYS N . 15740 1 1061 . 1 1 88 88 VAL H H 1 7.409 0.0220 . 1 . . . . 92 VAL H . 15740 1 1062 . 1 1 88 88 VAL HA H 1 3.725 0.0100 . 1 . . . . 92 VAL HA . 15740 1 1063 . 1 1 88 88 VAL HB H 1 2.055 0.0060 . 1 . . . . 92 VAL HB . 15740 1 1064 . 1 1 88 88 VAL HG11 H 1 0.935 0.0113 . 1 . . . . 92 VAL HG11 . 15740 1 1065 . 1 1 88 88 VAL HG12 H 1 0.935 0.0113 . 1 . . . . 92 VAL HG12 . 15740 1 1066 . 1 1 88 88 VAL HG13 H 1 0.935 0.0113 . 1 . . . . 92 VAL HG13 . 15740 1 1067 . 1 1 88 88 VAL HG21 H 1 0.847 0.0190 . 1 . . . . 92 VAL HG21 . 15740 1 1068 . 1 1 88 88 VAL HG22 H 1 0.847 0.0190 . 1 . . . . 92 VAL HG22 . 15740 1 1069 . 1 1 88 88 VAL HG23 H 1 0.847 0.0190 . 1 . . . . 92 VAL HG23 . 15740 1 1070 . 1 1 88 88 VAL CA C 13 63.763 0.0130 . 1 . . . . 92 VAL CA . 15740 1 1071 . 1 1 88 88 VAL CB C 13 31.820 0.0447 . 1 . . . . 92 VAL CB . 15740 1 1072 . 1 1 88 88 VAL CG1 C 13 21.979 0.0447 . 1 . . . . 92 VAL CG1 . 15740 1 1073 . 1 1 88 88 VAL CG2 C 13 21.326 0.0447 . 1 . . . . 92 VAL CG2 . 15740 1 1074 . 1 1 88 88 VAL N N 15 121.767 0.0470 . 1 . . . . 92 VAL N . 15740 1 1075 . 1 1 89 89 HIS HA H 1 5.021 0.0100 . 1 . . . . 93 HIS HA . 15740 1 1076 . 1 1 89 89 HIS HB2 H 1 3.117 0.0113 . 1 . . . . 93 HIS HB2 . 15740 1 1077 . 1 1 89 89 HIS HB3 H 1 3.102 0.0113 . 1 . . . . 93 HIS HB3 . 15740 1 1078 . 1 1 89 89 HIS C C 13 173.723 0.0447 . 1 . . . . 93 HIS C . 15740 1 1079 . 1 1 89 89 HIS CA C 13 55.205 0.0447 . 1 . . . . 93 HIS CA . 15740 1 1080 . 1 1 89 89 HIS CB C 13 32.129 0.0090 . 1 . . . . 93 HIS CB . 15740 1 1081 . 1 1 90 90 ASP H H 1 7.430 0.0260 . 1 . . . . 94 ASP H . 15740 1 1082 . 1 1 90 90 ASP HA H 1 4.450 0.0100 . 1 . . . . 94 ASP HA . 15740 1 1083 . 1 1 90 90 ASP HB2 H 1 2.827 0.0240 . 1 . . . . 94 ASP HB2 . 15740 1 1084 . 1 1 90 90 ASP HB3 H 1 2.824 0.0170 . 1 . . . . 94 ASP HB3 . 15740 1 1085 . 1 1 90 90 ASP C C 13 174.032 0.0447 . 1 . . . . 94 ASP C . 15740 1 1086 . 1 1 90 90 ASP CA C 13 52.337 0.0680 . 1 . . . . 94 ASP CA . 15740 1 1087 . 1 1 90 90 ASP CB C 13 41.959 0.2420 . 1 . . . . 94 ASP CB . 15740 1 1088 . 1 1 90 90 ASP N N 15 117.359 0.1030 . 1 . . . . 94 ASP N . 15740 1 1089 . 1 1 91 91 GLN H H 1 8.391 0.0240 . 1 . . . . 95 GLN H . 15740 1 1090 . 1 1 91 91 GLN HA H 1 3.080 0.0130 . 1 . . . . 95 GLN HA . 15740 1 1091 . 1 1 91 91 GLN HB2 H 1 1.744 0.0070 . 1 . . . . 95 GLN HB2 . 15740 1 1092 . 1 1 91 91 GLN HB3 H 1 1.541 0.0040 . 1 . . . . 95 GLN HB3 . 15740 1 1093 . 1 1 91 91 GLN HE21 H 1 7.308 0.0020 . 1 . . . . 95 GLN HE21 . 15740 1 1094 . 1 1 91 91 GLN HE22 H 1 6.965 0.0020 . 1 . . . . 95 GLN HE22 . 15740 1 1095 . 1 1 91 91 GLN HG2 H 1 0.968 0.0090 . 1 . . . . 95 GLN HG2 . 15740 1 1096 . 1 1 91 91 GLN HG3 H 1 0.965 0.0090 . 1 . . . . 95 GLN HG3 . 15740 1 1097 . 1 1 91 91 GLN C C 13 174.882 0.0447 . 1 . . . . 95 GLN C . 15740 1 1098 . 1 1 91 91 GLN CA C 13 59.882 0.0740 . 1 . . . . 95 GLN CA . 15740 1 1099 . 1 1 91 91 GLN CB C 13 29.243 0.0770 . 1 . . . . 95 GLN CB . 15740 1 1100 . 1 1 91 91 GLN CG C 13 34.285 0.0350 . 1 . . . . 95 GLN CG . 15740 1 1101 . 1 1 91 91 GLN N N 15 118.582 0.2390 . 1 . . . . 95 GLN N . 15740 1 1102 . 1 1 91 91 GLN NE2 N 15 113.158 0.0550 . 1 . . . . 95 GLN NE2 . 15740 1 1103 . 1 1 92 92 GLU H H 1 7.785 0.0040 . 1 . . . . 96 GLU H . 15740 1 1104 . 1 1 92 92 GLU HA H 1 3.486 0.0070 . 1 . . . . 96 GLU HA . 15740 1 1105 . 1 1 92 92 GLU HB2 H 1 1.848 0.0100 . 1 . . . . 96 GLU HB2 . 15740 1 1106 . 1 1 92 92 GLU HB3 H 1 1.755 0.0110 . 1 . . . . 96 GLU HB3 . 15740 1 1107 . 1 1 92 92 GLU HG2 H 1 1.994 0.0300 . 1 . . . . 96 GLU HG2 . 15740 1 1108 . 1 1 92 92 GLU HG3 H 1 1.987 0.0310 . 1 . . . . 96 GLU HG3 . 15740 1 1109 . 1 1 92 92 GLU C C 13 177.649 0.0447 . 1 . . . . 96 GLU C . 15740 1 1110 . 1 1 92 92 GLU CA C 13 59.807 0.0670 . 1 . . . . 96 GLU CA . 15740 1 1111 . 1 1 92 92 GLU CB C 13 29.356 0.1180 . 1 . . . . 96 GLU CB . 15740 1 1112 . 1 1 92 92 GLU CG C 13 36.376 0.2050 . 1 . . . . 96 GLU CG . 15740 1 1113 . 1 1 92 92 GLU N N 15 117.525 0.0470 . 1 . . . . 96 GLU N . 15740 1 1114 . 1 1 93 93 SER H H 1 8.235 0.0130 . 1 . . . . 97 SER H . 15740 1 1115 . 1 1 93 93 SER HA H 1 3.101 0.0090 . 1 . . . . 97 SER HA . 15740 1 1116 . 1 1 93 93 SER HB2 H 1 3.762 0.0280 . 1 . . . . 97 SER HB2 . 15740 1 1117 . 1 1 93 93 SER HB3 H 1 3.725 0.0160 . 1 . . . . 97 SER HB3 . 15740 1 1118 . 1 1 93 93 SER C C 13 177.764 0.0447 . 1 . . . . 97 SER C . 15740 1 1119 . 1 1 93 93 SER CA C 13 61.588 0.0350 . 1 . . . . 97 SER CA . 15740 1 1120 . 1 1 93 93 SER CB C 13 62.337 0.1370 . 1 . . . . 97 SER CB . 15740 1 1121 . 1 1 93 93 SER N N 15 112.286 0.0260 . 1 . . . . 97 SER N . 15740 1 1122 . 1 1 94 94 LEU H H 1 8.101 0.0160 . 1 . . . . 98 LEU H . 15740 1 1123 . 1 1 94 94 LEU HA H 1 3.801 0.0290 . 1 . . . . 98 LEU HA . 15740 1 1124 . 1 1 94 94 LEU HB2 H 1 1.741 0.0070 . 1 . . . . 98 LEU HB2 . 15740 1 1125 . 1 1 94 94 LEU HB3 H 1 1.111 0.0080 . 1 . . . . 98 LEU HB3 . 15740 1 1126 . 1 1 94 94 LEU HD11 H 1 0.835 0.0110 . 1 . . . . 98 LEU HD11 . 15740 1 1127 . 1 1 94 94 LEU HD12 H 1 0.835 0.0110 . 1 . . . . 98 LEU HD12 . 15740 1 1128 . 1 1 94 94 LEU HD13 H 1 0.835 0.0110 . 1 . . . . 98 LEU HD13 . 15740 1 1129 . 1 1 94 94 LEU HD21 H 1 0.834 0.0110 . 1 . . . . 98 LEU HD21 . 15740 1 1130 . 1 1 94 94 LEU HD22 H 1 0.834 0.0110 . 1 . . . . 98 LEU HD22 . 15740 1 1131 . 1 1 94 94 LEU HD23 H 1 0.834 0.0110 . 1 . . . . 98 LEU HD23 . 15740 1 1132 . 1 1 94 94 LEU HG H 1 0.834 0.0180 . 1 . . . . 98 LEU HG . 15740 1 1133 . 1 1 94 94 LEU C C 13 177.587 0.0447 . 1 . . . . 98 LEU C . 15740 1 1134 . 1 1 94 94 LEU CA C 13 58.756 0.0680 . 1 . . . . 98 LEU CA . 15740 1 1135 . 1 1 94 94 LEU CB C 13 40.436 0.0470 . 1 . . . . 98 LEU CB . 15740 1 1136 . 1 1 94 94 LEU CD1 C 13 22.452 0.0740 . 1 . . . . 98 LEU CD1 . 15740 1 1137 . 1 1 94 94 LEU CD2 C 13 22.455 0.0760 . 1 . . . . 98 LEU CD2 . 15740 1 1138 . 1 1 94 94 LEU CG C 13 27.106 0.0447 . 1 . . . . 98 LEU CG . 15740 1 1139 . 1 1 94 94 LEU N N 15 127.493 0.0220 . 1 . . . . 98 LEU N . 15740 1 1140 . 1 1 95 95 PHE H H 1 8.190 0.0050 . 1 . . . . 99 PHE H . 15740 1 1141 . 1 1 95 95 PHE HA H 1 3.736 0.0080 . 1 . . . . 99 PHE HA . 15740 1 1142 . 1 1 95 95 PHE HB2 H 1 2.713 0.0100 . 1 . . . . 99 PHE HB2 . 15740 1 1143 . 1 1 95 95 PHE HB3 H 1 1.914 0.0100 . 1 . . . . 99 PHE HB3 . 15740 1 1144 . 1 1 95 95 PHE HD1 H 1 6.222 0.0080 . 3 . . . . 99 PHE HD1 . 15740 1 1145 . 1 1 95 95 PHE HD2 H 1 6.222 0.0080 . 3 . . . . 99 PHE HD2 . 15740 1 1146 . 1 1 95 95 PHE HE1 H 1 6.047 0.0090 . 3 . . . . 99 PHE HE1 . 15740 1 1147 . 1 1 95 95 PHE HE2 H 1 6.047 0.0090 . 3 . . . . 99 PHE HE2 . 15740 1 1148 . 1 1 95 95 PHE HZ H 1 6.338 0.0080 . 1 . . . . 99 PHE HZ . 15740 1 1149 . 1 1 95 95 PHE C C 13 178.307 0.0447 . 1 . . . . 99 PHE C . 15740 1 1150 . 1 1 95 95 PHE CA C 13 56.881 0.0900 . 1 . . . . 99 PHE CA . 15740 1 1151 . 1 1 95 95 PHE CB C 13 35.373 0.0740 . 1 . . . . 99 PHE CB . 15740 1 1152 . 1 1 95 95 PHE CD1 C 13 129.133 0.0447 . 3 . . . . 99 PHE CD1 . 15740 1 1153 . 1 1 95 95 PHE CD2 C 13 129.133 0.0447 . 3 . . . . 99 PHE CD2 . 15740 1 1154 . 1 1 95 95 PHE CE1 C 13 129.826 0.0447 . 3 . . . . 99 PHE CE1 . 15740 1 1155 . 1 1 95 95 PHE CE2 C 13 129.826 0.0447 . 3 . . . . 99 PHE CE2 . 15740 1 1156 . 1 1 95 95 PHE CZ C 13 127.506 0.0447 . 1 . . . . 99 PHE CZ . 15740 1 1157 . 1 1 95 95 PHE N N 15 119.810 0.0260 . 1 . . . . 99 PHE N . 15740 1 1158 . 1 1 96 96 ALA H H 1 8.626 0.0070 . 1 . . . . 100 ALA H . 15740 1 1159 . 1 1 96 96 ALA HA H 1 3.775 0.0140 . 1 . . . . 100 ALA HA . 15740 1 1160 . 1 1 96 96 ALA HB1 H 1 1.032 0.0070 . 1 . . . . 100 ALA HB1 . 15740 1 1161 . 1 1 96 96 ALA HB2 H 1 1.032 0.0070 . 1 . . . . 100 ALA HB2 . 15740 1 1162 . 1 1 96 96 ALA HB3 H 1 1.032 0.0070 . 1 . . . . 100 ALA HB3 . 15740 1 1163 . 1 1 96 96 ALA C C 13 178.903 0.0447 . 1 . . . . 100 ALA C . 15740 1 1164 . 1 1 96 96 ALA CA C 13 55.091 0.0730 . 1 . . . . 100 ALA CA . 15740 1 1165 . 1 1 96 96 ALA CB C 13 19.557 0.0670 . 1 . . . . 100 ALA CB . 15740 1 1166 . 1 1 96 96 ALA N N 15 120.269 0.0350 . 1 . . . . 100 ALA N . 15740 1 1167 . 1 1 97 97 THR H H 1 7.821 0.0080 . 1 . . . . 101 THR H . 15740 1 1168 . 1 1 97 97 THR HA H 1 4.218 0.0070 . 1 . . . . 101 THR HA . 15740 1 1169 . 1 1 97 97 THR HB H 1 3.771 0.0260 . 1 . . . . 101 THR HB . 15740 1 1170 . 1 1 97 97 THR HG21 H 1 1.227 0.0170 . 1 . . . . 101 THR HG21 . 15740 1 1171 . 1 1 97 97 THR HG22 H 1 1.227 0.0170 . 1 . . . . 101 THR HG22 . 15740 1 1172 . 1 1 97 97 THR HG23 H 1 1.227 0.0170 . 1 . . . . 101 THR HG23 . 15740 1 1173 . 1 1 97 97 THR C C 13 176.306 0.0447 . 1 . . . . 101 THR C . 15740 1 1174 . 1 1 97 97 THR CA C 13 67.227 0.0670 . 1 . . . . 101 THR CA . 15740 1 1175 . 1 1 97 97 THR CB C 13 67.721 0.0630 . 1 . . . . 101 THR CB . 15740 1 1176 . 1 1 97 97 THR CG2 C 13 22.337 0.0520 . 1 . . . . 101 THR CG2 . 15740 1 1177 . 1 1 97 97 THR N N 15 115.142 0.0210 . 1 . . . . 101 THR N . 15740 1 1178 . 1 1 98 98 ILE H H 1 8.233 0.0050 . 1 . . . . 102 ILE H . 15740 1 1179 . 1 1 98 98 ILE HA H 1 3.550 0.0050 . 1 . . . . 102 ILE HA . 15740 1 1180 . 1 1 98 98 ILE HB H 1 2.055 0.0210 . 1 . . . . 102 ILE HB . 15740 1 1181 . 1 1 98 98 ILE HD11 H 1 0.861 0.0190 . 1 . . . . 102 ILE HD11 . 15740 1 1182 . 1 1 98 98 ILE HD12 H 1 0.861 0.0190 . 1 . . . . 102 ILE HD12 . 15740 1 1183 . 1 1 98 98 ILE HD13 H 1 0.861 0.0190 . 1 . . . . 102 ILE HD13 . 15740 1 1184 . 1 1 98 98 ILE HG21 H 1 1.150 0.0130 . 1 . . . . 102 ILE HG21 . 15740 1 1185 . 1 1 98 98 ILE HG22 H 1 1.150 0.0130 . 1 . . . . 102 ILE HG22 . 15740 1 1186 . 1 1 98 98 ILE HG23 H 1 1.150 0.0130 . 1 . . . . 102 ILE HG23 . 15740 1 1187 . 1 1 98 98 ILE C C 13 177.258 0.0447 . 1 . . . . 102 ILE C . 15740 1 1188 . 1 1 98 98 ILE CA C 13 67.418 0.0390 . 1 . . . . 102 ILE CA . 15740 1 1189 . 1 1 98 98 ILE CB C 13 37.974 0.1350 . 1 . . . . 102 ILE CB . 15740 1 1190 . 1 1 98 98 ILE CD1 C 13 13.660 0.0800 . 1 . . . . 102 ILE CD1 . 15740 1 1191 . 1 1 98 98 ILE CG2 C 13 16.775 0.0710 . 1 . . . . 102 ILE CG2 . 15740 1 1192 . 1 1 98 98 ILE N N 15 123.611 0.0350 . 1 . . . . 102 ILE N . 15740 1 1193 . 1 1 99 99 GLY H H 1 8.463 0.0070 . 1 . . . . 103 GLY H . 15740 1 1194 . 1 1 99 99 GLY HA2 H 1 4.222 0.0100 . 1 . . . . 103 GLY HA2 . 15740 1 1195 . 1 1 99 99 GLY HA3 H 1 3.685 0.0050 . 1 . . . . 103 GLY HA3 . 15740 1 1196 . 1 1 99 99 GLY C C 13 175.465 0.0447 . 1 . . . . 103 GLY C . 15740 1 1197 . 1 1 99 99 GLY CA C 13 46.862 0.0590 . 1 . . . . 103 GLY CA . 15740 1 1198 . 1 1 99 99 GLY N N 15 104.365 0.0260 . 1 . . . . 103 GLY N . 15740 1 1199 . 1 1 100 100 ILE H H 1 8.846 0.0050 . 1 . . . . 104 ILE H . 15740 1 1200 . 1 1 100 100 ILE HA H 1 3.974 0.0070 . 1 . . . . 104 ILE HA . 15740 1 1201 . 1 1 100 100 ILE HB H 1 2.013 0.0220 . 1 . . . . 104 ILE HB . 15740 1 1202 . 1 1 100 100 ILE HD11 H 1 0.436 0.0090 . 1 . . . . 104 ILE HD11 . 15740 1 1203 . 1 1 100 100 ILE HD12 H 1 0.436 0.0090 . 1 . . . . 104 ILE HD12 . 15740 1 1204 . 1 1 100 100 ILE HD13 H 1 0.436 0.0090 . 1 . . . . 104 ILE HD13 . 15740 1 1205 . 1 1 100 100 ILE HG12 H 1 1.230 0.0240 . 1 . . . . 104 ILE HG12 . 15740 1 1206 . 1 1 100 100 ILE HG13 H 1 1.224 0.0210 . 1 . . . . 104 ILE HG13 . 15740 1 1207 . 1 1 100 100 ILE HG21 H 1 1.186 0.0160 . 1 . . . . 104 ILE HG21 . 15740 1 1208 . 1 1 100 100 ILE HG22 H 1 1.186 0.0160 . 1 . . . . 104 ILE HG22 . 15740 1 1209 . 1 1 100 100 ILE HG23 H 1 1.186 0.0160 . 1 . . . . 104 ILE HG23 . 15740 1 1210 . 1 1 100 100 ILE C C 13 177.216 0.0447 . 1 . . . . 104 ILE C . 15740 1 1211 . 1 1 100 100 ILE CA C 13 64.139 0.0810 . 1 . . . . 104 ILE CA . 15740 1 1212 . 1 1 100 100 ILE CB C 13 37.167 0.0720 . 1 . . . . 104 ILE CB . 15740 1 1213 . 1 1 100 100 ILE CD1 C 13 13.520 0.0470 . 1 . . . . 104 ILE CD1 . 15740 1 1214 . 1 1 100 100 ILE CG1 C 13 30.604 0.0200 . 1 . . . . 104 ILE CG1 . 15740 1 1215 . 1 1 100 100 ILE CG2 C 13 17.821 0.0300 . 1 . . . . 104 ILE CG2 . 15740 1 1216 . 1 1 100 100 ILE N N 15 121.398 0.0220 . 1 . . . . 104 ILE N . 15740 1 1217 . 1 1 101 101 CYS H H 1 8.018 0.0090 . 1 . . . . 105 CYS H . 15740 1 1218 . 1 1 101 101 CYS HA H 1 3.975 0.0090 . 1 . . . . 105 CYS HA . 15740 1 1219 . 1 1 101 101 CYS HB2 H 1 3.437 0.0090 . 1 . . . . 105 CYS HB2 . 15740 1 1220 . 1 1 101 101 CYS HB3 H 1 2.493 0.0040 . 1 . . . . 105 CYS HB3 . 15740 1 1221 . 1 1 101 101 CYS C C 13 176.004 0.0447 . 1 . . . . 105 CYS C . 15740 1 1222 . 1 1 101 101 CYS CA C 13 65.440 0.0640 . 1 . . . . 105 CYS CA . 15740 1 1223 . 1 1 101 101 CYS CB C 13 26.596 0.0620 . 1 . . . . 105 CYS CB . 15740 1 1224 . 1 1 101 101 CYS N N 15 121.193 0.2340 . 1 . . . . 105 CYS N . 15740 1 1225 . 1 1 102 102 ALA H H 1 8.005 0.0080 . 1 . . . . 106 ALA H . 15740 1 1226 . 1 1 102 102 ALA HA H 1 3.922 0.0120 . 1 . . . . 106 ALA HA . 15740 1 1227 . 1 1 102 102 ALA HB1 H 1 1.579 0.0120 . 1 . . . . 106 ALA HB1 . 15740 1 1228 . 1 1 102 102 ALA HB2 H 1 1.579 0.0120 . 1 . . . . 106 ALA HB2 . 15740 1 1229 . 1 1 102 102 ALA HB3 H 1 1.579 0.0120 . 1 . . . . 106 ALA HB3 . 15740 1 1230 . 1 1 102 102 ALA C C 13 178.321 0.0447 . 1 . . . . 106 ALA C . 15740 1 1231 . 1 1 102 102 ALA CA C 13 54.865 0.0690 . 1 . . . . 106 ALA CA . 15740 1 1232 . 1 1 102 102 ALA CB C 13 18.834 0.0490 . 1 . . . . 106 ALA CB . 15740 1 1233 . 1 1 102 102 ALA N N 15 121.678 0.0350 . 1 . . . . 106 ALA N . 15740 1 1234 . 1 1 103 103 LYS H H 1 8.040 0.0140 . 1 . . . . 107 LYS H . 15740 1 1235 . 1 1 103 103 LYS HA H 1 3.950 0.0080 . 1 . . . . 107 LYS HA . 15740 1 1236 . 1 1 103 103 LYS HB2 H 1 1.950 0.0060 . 1 . . . . 107 LYS HB2 . 15740 1 1237 . 1 1 103 103 LYS HB3 H 1 1.946 0.0030 . 1 . . . . 107 LYS HB3 . 15740 1 1238 . 1 1 103 103 LYS HG2 H 1 1.675 0.0120 . 1 . . . . 107 LYS HG2 . 15740 1 1239 . 1 1 103 103 LYS C C 13 180.363 0.0447 . 1 . . . . 107 LYS C . 15740 1 1240 . 1 1 103 103 LYS CA C 13 58.548 0.0180 . 1 . . . . 107 LYS CA . 15740 1 1241 . 1 1 103 103 LYS CB C 13 31.121 0.0230 . 1 . . . . 107 LYS CB . 15740 1 1242 . 1 1 103 103 LYS N N 15 115.228 0.0350 . 1 . . . . 107 LYS N . 15740 1 1243 . 1 1 104 104 ILE H H 1 8.531 0.0070 . 1 . . . . 108 ILE H . 15740 1 1244 . 1 1 104 104 ILE HA H 1 3.318 0.0090 . 1 . . . . 108 ILE HA . 15740 1 1245 . 1 1 104 104 ILE HB H 1 1.658 0.0140 . 1 . . . . 108 ILE HB . 15740 1 1246 . 1 1 104 104 ILE HD11 H 1 0.679 0.0130 . 1 . . . . 108 ILE HD11 . 15740 1 1247 . 1 1 104 104 ILE HD12 H 1 0.679 0.0130 . 1 . . . . 108 ILE HD12 . 15740 1 1248 . 1 1 104 104 ILE HD13 H 1 0.679 0.0130 . 1 . . . . 108 ILE HD13 . 15740 1 1249 . 1 1 104 104 ILE HG12 H 1 1.690 0.0170 . 1 . . . . 108 ILE HG12 . 15740 1 1250 . 1 1 104 104 ILE HG13 H 1 0.581 0.0210 . 1 . . . . 108 ILE HG13 . 15740 1 1251 . 1 1 104 104 ILE HG21 H 1 -0.087 0.0060 . 1 . . . . 108 ILE HG21 . 15740 1 1252 . 1 1 104 104 ILE HG22 H 1 -0.087 0.0060 . 1 . . . . 108 ILE HG22 . 15740 1 1253 . 1 1 104 104 ILE HG23 H 1 -0.087 0.0060 . 1 . . . . 108 ILE HG23 . 15740 1 1254 . 1 1 104 104 ILE C C 13 176.525 0.0447 . 1 . . . . 108 ILE C . 15740 1 1255 . 1 1 104 104 ILE CA C 13 65.509 0.2000 . 1 . . . . 108 ILE CA . 15740 1 1256 . 1 1 104 104 ILE CB C 13 37.471 0.0690 . 1 . . . . 108 ILE CB . 15740 1 1257 . 1 1 104 104 ILE CD1 C 13 15.442 0.0160 . 1 . . . . 108 ILE CD1 . 15740 1 1258 . 1 1 104 104 ILE CG1 C 13 30.247 0.0820 . 1 . . . . 108 ILE CG1 . 15740 1 1259 . 1 1 104 104 ILE CG2 C 13 16.975 0.0300 . 1 . . . . 108 ILE CG2 . 15740 1 1260 . 1 1 104 104 ILE N N 15 121.821 0.0340 . 1 . . . . 108 ILE N . 15740 1 1261 . 1 1 105 105 THR H H 1 8.038 0.0110 . 1 . . . . 109 THR H . 15740 1 1262 . 1 1 105 105 THR HA H 1 3.958 0.0210 . 1 . . . . 109 THR HA . 15740 1 1263 . 1 1 105 105 THR HB H 1 4.222 0.0010 . 1 . . . . 109 THR HB . 15740 1 1264 . 1 1 105 105 THR HG21 H 1 1.175 0.0110 . 1 . . . . 109 THR HG21 . 15740 1 1265 . 1 1 105 105 THR HG22 H 1 1.175 0.0110 . 1 . . . . 109 THR HG22 . 15740 1 1266 . 1 1 105 105 THR HG23 H 1 1.175 0.0110 . 1 . . . . 109 THR HG23 . 15740 1 1267 . 1 1 105 105 THR C C 13 178.953 0.0447 . 1 . . . . 109 THR C . 15740 1 1268 . 1 1 105 105 THR CA C 13 65.734 0.2520 . 1 . . . . 109 THR CA . 15740 1 1269 . 1 1 105 105 THR CB C 13 67.875 0.1400 . 1 . . . . 109 THR CB . 15740 1 1270 . 1 1 105 105 THR CG2 C 13 23.088 0.0480 . 1 . . . . 109 THR CG2 . 15740 1 1271 . 1 1 105 105 THR N N 15 112.244 0.0370 . 1 . . . . 109 THR N . 15740 1 1272 . 1 1 106 106 GLU H H 1 8.233 0.0060 . 1 . . . . 110 GLU H . 15740 1 1273 . 1 1 106 106 GLU HA H 1 3.945 0.0100 . 1 . . . . 110 GLU HA . 15740 1 1274 . 1 1 106 106 GLU HB2 H 1 2.155 0.0030 . 1 . . . . 110 GLU HB2 . 15740 1 1275 . 1 1 106 106 GLU HB3 H 1 2.144 0.0160 . 1 . . . . 110 GLU HB3 . 15740 1 1276 . 1 1 106 106 GLU HG2 H 1 2.188 0.0030 . 1 . . . . 110 GLU HG2 . 15740 1 1277 . 1 1 106 106 GLU HG3 H 1 2.110 0.0110 . 1 . . . . 110 GLU HG3 . 15740 1 1278 . 1 1 106 106 GLU C C 13 177.202 0.0447 . 1 . . . . 110 GLU C . 15740 1 1279 . 1 1 106 106 GLU CA C 13 60.191 0.2590 . 1 . . . . 110 GLU CA . 15740 1 1280 . 1 1 106 106 GLU CB C 13 31.052 0.0280 . 1 . . . . 110 GLU CB . 15740 1 1281 . 1 1 106 106 GLU CG C 13 37.815 0.0410 . 1 . . . . 110 GLU CG . 15740 1 1282 . 1 1 106 106 GLU N N 15 125.301 0.0380 . 1 . . . . 110 GLU N . 15740 1 1283 . 1 1 107 107 HIS H H 1 7.903 0.0070 . 1 . . . . 111 HIS H . 15740 1 1284 . 1 1 107 107 HIS HA H 1 4.447 0.0080 . 1 . . . . 111 HIS HA . 15740 1 1285 . 1 1 107 107 HIS HB2 H 1 3.353 0.0080 . 1 . . . . 111 HIS HB2 . 15740 1 1286 . 1 1 107 107 HIS HB3 H 1 3.090 0.0050 . 1 . . . . 111 HIS HB3 . 15740 1 1287 . 1 1 107 107 HIS HD2 H 1 6.654 0.0113 . 1 . . . . 111 HIS HD2 . 15740 1 1288 . 1 1 107 107 HIS C C 13 178.808 0.0447 . 1 . . . . 111 HIS C . 15740 1 1289 . 1 1 107 107 HIS CA C 13 60.326 0.0580 . 1 . . . . 111 HIS CA . 15740 1 1290 . 1 1 107 107 HIS CB C 13 29.872 0.0740 . 1 . . . . 111 HIS CB . 15740 1 1291 . 1 1 107 107 HIS N N 15 120.172 0.0390 . 1 . . . . 111 HIS N . 15740 1 1292 . 1 1 108 108 TRP H H 1 8.561 0.0090 . 1 . . . . 112 TRP H . 15740 1 1293 . 1 1 108 108 TRP HA H 1 4.449 0.0080 . 1 . . . . 112 TRP HA . 15740 1 1294 . 1 1 108 108 TRP HB2 H 1 3.390 0.0120 . 1 . . . . 112 TRP HB2 . 15740 1 1295 . 1 1 108 108 TRP HB3 H 1 3.209 0.0090 . 1 . . . . 112 TRP HB3 . 15740 1 1296 . 1 1 108 108 TRP HD1 H 1 7.101 0.0160 . 1 . . . . 112 TRP HD1 . 15740 1 1297 . 1 1 108 108 TRP HE1 H 1 9.959 0.0020 . 1 . . . . 112 TRP HE1 . 15740 1 1298 . 1 1 108 108 TRP HE3 H 1 7.321 0.0113 . 1 . . . . 112 TRP HE3 . 15740 1 1299 . 1 1 108 108 TRP HH2 H 1 6.952 0.0090 . 1 . . . . 112 TRP HH2 . 15740 1 1300 . 1 1 108 108 TRP HZ2 H 1 7.327 0.0070 . 1 . . . . 112 TRP HZ2 . 15740 1 1301 . 1 1 108 108 TRP HZ3 H 1 6.828 0.0113 . 1 . . . . 112 TRP HZ3 . 15740 1 1302 . 1 1 108 108 TRP C C 13 178.863 0.0447 . 1 . . . . 112 TRP C . 15740 1 1303 . 1 1 108 108 TRP CA C 13 58.632 0.1220 . 1 . . . . 112 TRP CA . 15740 1 1304 . 1 1 108 108 TRP CB C 13 28.195 0.0620 . 1 . . . . 112 TRP CB . 15740 1 1305 . 1 1 108 108 TRP CD1 C 13 124.188 0.0447 . 1 . . . . 112 TRP CD1 . 15740 1 1306 . 1 1 108 108 TRP CE3 C 13 120.416 0.0447 . 1 . . . . 112 TRP CE3 . 15740 1 1307 . 1 1 108 108 TRP CH2 C 13 124.694 0.0447 . 1 . . . . 112 TRP CH2 . 15740 1 1308 . 1 1 108 108 TRP CZ2 C 13 114.421 0.0447 . 1 . . . . 112 TRP CZ2 . 15740 1 1309 . 1 1 108 108 TRP CZ3 C 13 121.601 0.0447 . 1 . . . . 112 TRP CZ3 . 15740 1 1310 . 1 1 108 108 TRP N N 15 118.661 0.0290 . 1 . . . . 112 TRP N . 15740 1 1311 . 1 1 108 108 TRP NE1 N 15 127.252 0.0220 . 1 . . . . 112 TRP NE1 . 15740 1 1312 . 1 1 109 109 GLY H H 1 8.196 0.0130 . 1 . . . . 113 GLY H . 15740 1 1313 . 1 1 109 109 GLY HA2 H 1 3.812 0.0070 . 1 . . . . 113 GLY HA2 . 15740 1 1314 . 1 1 109 109 GLY HA3 H 1 3.476 0.0070 . 1 . . . . 113 GLY HA3 . 15740 1 1315 . 1 1 109 109 GLY C C 13 176.664 0.0447 . 1 . . . . 113 GLY C . 15740 1 1316 . 1 1 109 109 GLY CA C 13 47.455 0.0670 . 1 . . . . 113 GLY CA . 15740 1 1317 . 1 1 109 109 GLY N N 15 108.482 0.0320 . 1 . . . . 113 GLY N . 15740 1 1318 . 1 1 110 110 TYR H H 1 8.111 0.0060 . 1 . . . . 114 TYR H . 15740 1 1319 . 1 1 110 110 TYR HA H 1 4.230 0.0050 . 1 . . . . 114 TYR HA . 15740 1 1320 . 1 1 110 110 TYR HB2 H 1 3.057 0.0180 . 1 . . . . 114 TYR HB2 . 15740 1 1321 . 1 1 110 110 TYR HB3 H 1 3.037 0.0150 . 1 . . . . 114 TYR HB3 . 15740 1 1322 . 1 1 110 110 TYR HD1 H 1 7.181 0.0090 . 3 . . . . 114 TYR HD1 . 15740 1 1323 . 1 1 110 110 TYR HD2 H 1 7.181 0.0090 . 3 . . . . 114 TYR HD2 . 15740 1 1324 . 1 1 110 110 TYR HE1 H 1 6.754 0.0140 . 3 . . . . 114 TYR HE1 . 15740 1 1325 . 1 1 110 110 TYR HE2 H 1 6.754 0.0140 . 3 . . . . 114 TYR HE2 . 15740 1 1326 . 1 1 110 110 TYR C C 13 177.749 0.0447 . 1 . . . . 114 TYR C . 15740 1 1327 . 1 1 110 110 TYR CA C 13 61.386 0.0630 . 1 . . . . 114 TYR CA . 15740 1 1328 . 1 1 110 110 TYR CB C 13 38.029 0.0340 . 1 . . . . 114 TYR CB . 15740 1 1329 . 1 1 110 110 TYR CD1 C 13 133.456 0.0447 . 3 . . . . 114 TYR CD1 . 15740 1 1330 . 1 1 110 110 TYR CD2 C 13 133.456 0.0447 . 3 . . . . 114 TYR CD2 . 15740 1 1331 . 1 1 110 110 TYR CE1 C 13 118.184 0.0447 . 3 . . . . 114 TYR CE1 . 15740 1 1332 . 1 1 110 110 TYR CE2 C 13 118.184 0.0447 . 3 . . . . 114 TYR CE2 . 15740 1 1333 . 1 1 110 110 TYR N N 15 122.819 0.0270 . 1 . . . . 114 TYR N . 15740 1 1334 . 1 1 111 111 LYS H H 1 7.732 0.0080 . 1 . . . . 115 LYS H . 15740 1 1335 . 1 1 111 111 LYS HA H 1 4.246 0.0070 . 1 . . . . 115 LYS HA . 15740 1 1336 . 1 1 111 111 LYS HB2 H 1 2.009 0.0070 . 1 . . . . 115 LYS HB2 . 15740 1 1337 . 1 1 111 111 LYS HB3 H 1 1.830 0.0310 . 1 . . . . 115 LYS HB3 . 15740 1 1338 . 1 1 111 111 LYS HG2 H 1 1.360 0.0260 . 1 . . . . 115 LYS HG2 . 15740 1 1339 . 1 1 111 111 LYS HG3 H 1 1.320 0.0220 . 1 . . . . 115 LYS HG3 . 15740 1 1340 . 1 1 111 111 LYS C C 13 175.324 0.0447 . 1 . . . . 115 LYS C . 15740 1 1341 . 1 1 111 111 LYS CA C 13 55.991 0.0180 . 1 . . . . 115 LYS CA . 15740 1 1342 . 1 1 111 111 LYS CB C 13 32.439 0.0970 . 1 . . . . 115 LYS CB . 15740 1 1343 . 1 1 111 111 LYS CG C 13 24.770 0.0440 . 1 . . . . 115 LYS CG . 15740 1 1344 . 1 1 111 111 LYS N N 15 118.176 0.0970 . 1 . . . . 115 LYS N . 15740 1 1345 . 1 1 112 112 LYS H H 1 7.954 0.0080 . 1 . . . . 116 LYS H . 15740 1 1346 . 1 1 112 112 LYS HA H 1 3.814 0.0030 . 1 . . . . 116 LYS HA . 15740 1 1347 . 1 1 112 112 LYS HB2 H 1 2.027 0.0050 . 1 . . . . 116 LYS HB2 . 15740 1 1348 . 1 1 112 112 LYS HB3 H 1 1.866 0.0200 . 1 . . . . 116 LYS HB3 . 15740 1 1349 . 1 1 112 112 LYS HG2 H 1 1.335 0.0150 . 1 . . . . 116 LYS HG2 . 15740 1 1350 . 1 1 112 112 LYS HG3 H 1 1.316 0.0040 . 1 . . . . 116 LYS HG3 . 15740 1 1351 . 1 1 112 112 LYS C C 13 175.681 0.0447 . 1 . . . . 116 LYS C . 15740 1 1352 . 1 1 112 112 LYS CA C 13 57.084 0.0490 . 1 . . . . 116 LYS CA . 15740 1 1353 . 1 1 112 112 LYS CB C 13 29.776 0.2090 . 1 . . . . 116 LYS CB . 15740 1 1354 . 1 1 112 112 LYS CG C 13 25.091 0.0060 . 1 . . . . 116 LYS CG . 15740 1 1355 . 1 1 112 112 LYS N N 15 115.495 0.0300 . 1 . . . . 116 LYS N . 15740 1 1356 . 1 1 113 113 ILE H H 1 8.026 0.0070 . 1 . . . . 117 ILE H . 15740 1 1357 . 1 1 113 113 ILE HA H 1 4.100 0.0050 . 1 . . . . 117 ILE HA . 15740 1 1358 . 1 1 113 113 ILE HB H 1 1.715 0.0140 . 1 . . . . 117 ILE HB . 15740 1 1359 . 1 1 113 113 ILE HD11 H 1 0.747 0.0140 . 1 . . . . 117 ILE HD11 . 15740 1 1360 . 1 1 113 113 ILE HD12 H 1 0.747 0.0140 . 1 . . . . 117 ILE HD12 . 15740 1 1361 . 1 1 113 113 ILE HD13 H 1 0.747 0.0140 . 1 . . . . 117 ILE HD13 . 15740 1 1362 . 1 1 113 113 ILE HG12 H 1 1.414 0.0070 . 1 . . . . 117 ILE HG12 . 15740 1 1363 . 1 1 113 113 ILE HG13 H 1 1.027 0.0090 . 1 . . . . 117 ILE HG13 . 15740 1 1364 . 1 1 113 113 ILE HG21 H 1 0.622 0.0170 . 1 . . . . 117 ILE HG21 . 15740 1 1365 . 1 1 113 113 ILE HG22 H 1 0.622 0.0170 . 1 . . . . 117 ILE HG22 . 15740 1 1366 . 1 1 113 113 ILE HG23 H 1 0.622 0.0170 . 1 . . . . 117 ILE HG23 . 15740 1 1367 . 1 1 113 113 ILE C C 13 175.539 0.0447 . 1 . . . . 117 ILE C . 15740 1 1368 . 1 1 113 113 ILE CA C 13 60.831 0.1090 . 1 . . . . 117 ILE CA . 15740 1 1369 . 1 1 113 113 ILE CB C 13 38.574 0.1130 . 1 . . . . 117 ILE CB . 15740 1 1370 . 1 1 113 113 ILE CD1 C 13 13.209 0.0840 . 1 . . . . 117 ILE CD1 . 15740 1 1371 . 1 1 113 113 ILE CG1 C 13 27.220 0.1090 . 1 . . . . 117 ILE CG1 . 15740 1 1372 . 1 1 113 113 ILE CG2 C 13 16.929 0.0510 . 1 . . . . 117 ILE CG2 . 15740 1 1373 . 1 1 113 113 ILE N N 15 120.779 0.0380 . 1 . . . . 117 ILE N . 15740 1 1374 . 1 1 114 114 SER H H 1 8.245 0.0050 . 1 . . . . 118 SER H . 15740 1 1375 . 1 1 114 114 SER HA H 1 4.763 0.0040 . 1 . . . . 118 SER HA . 15740 1 1376 . 1 1 114 114 SER HB2 H 1 3.823 0.0480 . 1 . . . . 118 SER HB2 . 15740 1 1377 . 1 1 114 114 SER HB3 H 1 3.747 0.0010 . 1 . . . . 118 SER HB3 . 15740 1 1378 . 1 1 114 114 SER C C 13 174.365 0.0447 . 1 . . . . 118 SER C . 15740 1 1379 . 1 1 114 114 SER CA C 13 58.128 0.0410 . 1 . . . . 118 SER CA . 15740 1 1380 . 1 1 114 114 SER CB C 13 64.236 0.0430 . 1 . . . . 118 SER CB . 15740 1 1381 . 1 1 114 114 SER N N 15 119.830 0.0310 . 1 . . . . 118 SER N . 15740 1 1382 . 1 1 115 115 GLU H H 1 7.994 0.0050 . 1 . . . . 119 GLU H . 15740 1 1383 . 1 1 115 115 GLU C C 13 176.038 0.0447 . 1 . . . . 119 GLU C . 15740 1 1384 . 1 1 115 115 GLU CA C 13 56.391 0.0860 . 1 . . . . 119 GLU CA . 15740 1 1385 . 1 1 115 115 GLU N N 15 122.453 0.0550 . 1 . . . . 119 GLU N . 15740 1 1386 . 1 1 116 116 SER H H 1 8.304 0.0050 . 1 . . . . 120 SER H . 15740 1 1387 . 1 1 116 116 SER HA H 1 4.457 0.0060 . 1 . . . . 120 SER HA . 15740 1 1388 . 1 1 116 116 SER HB2 H 1 3.811 0.0040 . 1 . . . . 120 SER HB2 . 15740 1 1389 . 1 1 116 116 SER HB3 H 1 3.808 0.0070 . 1 . . . . 120 SER HB3 . 15740 1 1390 . 1 1 116 116 SER C C 13 174.477 0.0447 . 1 . . . . 120 SER C . 15740 1 1391 . 1 1 116 116 SER CA C 13 58.698 0.0650 . 1 . . . . 120 SER CA . 15740 1 1392 . 1 1 116 116 SER CB C 13 64.029 0.1040 . 1 . . . . 120 SER CB . 15740 1 1393 . 1 1 116 116 SER N N 15 116.803 0.0350 . 1 . . . . 120 SER N . 15740 1 1394 . 1 1 117 117 ARG H H 1 8.099 0.0070 . 1 . . . . 121 ARG H . 15740 1 1395 . 1 1 117 117 ARG CA C 13 56.154 0.0447 . 1 . . . . 121 ARG CA . 15740 1 1396 . 1 1 117 117 ARG N N 15 121.111 0.0250 . 1 . . . . 121 ARG N . 15740 1 1397 . 1 1 121 121 LEU C C 13 176.150 0.0447 . 1 . . . . 125 LEU C . 15740 1 1398 . 1 1 122 122 GLY H H 1 7.712 0.0110 . 1 . . . . 126 GLY H . 15740 1 1399 . 1 1 122 122 GLY HA2 H 1 4.035 0.0040 . 1 . . . . 126 GLY HA2 . 15740 1 1400 . 1 1 122 122 GLY HA3 H 1 3.695 0.0200 . 1 . . . . 126 GLY HA3 . 15740 1 1401 . 1 1 122 122 GLY C C 13 172.372 0.0447 . 1 . . . . 126 GLY C . 15740 1 1402 . 1 1 122 122 GLY CA C 13 44.897 0.0570 . 1 . . . . 126 GLY CA . 15740 1 1403 . 1 1 122 122 GLY N N 15 104.771 0.0740 . 1 . . . . 126 GLY N . 15740 1 1404 . 1 1 123 123 ASN H H 1 8.748 0.0280 . 1 . . . . 127 ASN H . 15740 1 1405 . 1 1 123 123 ASN CA C 13 52.701 0.0447 . 1 . . . . 127 ASN CA . 15740 1 1406 . 1 1 123 123 ASN N N 15 118.312 0.0860 . 1 . . . . 127 ASN N . 15740 1 1407 . 1 1 124 124 ILE C C 13 177.132 0.0447 . 1 . . . . 128 ILE C . 15740 1 1408 . 1 1 125 125 THR H H 1 8.027 0.0100 . 1 . . . . 129 THR H . 15740 1 1409 . 1 1 125 125 THR HA H 1 3.782 0.0090 . 1 . . . . 129 THR HA . 15740 1 1410 . 1 1 125 125 THR HB H 1 4.219 0.0030 . 1 . . . . 129 THR HB . 15740 1 1411 . 1 1 125 125 THR HG21 H 1 1.242 0.0030 . 1 . . . . 129 THR HG21 . 15740 1 1412 . 1 1 125 125 THR HG22 H 1 1.242 0.0030 . 1 . . . . 129 THR HG22 . 15740 1 1413 . 1 1 125 125 THR HG23 H 1 1.242 0.0030 . 1 . . . . 129 THR HG23 . 15740 1 1414 . 1 1 125 125 THR C C 13 175.560 0.0447 . 1 . . . . 129 THR C . 15740 1 1415 . 1 1 125 125 THR CA C 13 65.403 0.0610 . 1 . . . . 129 THR CA . 15740 1 1416 . 1 1 125 125 THR CB C 13 68.072 0.0840 . 1 . . . . 129 THR CB . 15740 1 1417 . 1 1 125 125 THR CG2 C 13 22.240 0.0760 . 1 . . . . 129 THR CG2 . 15740 1 1418 . 1 1 125 125 THR N N 15 114.358 0.0280 . 1 . . . . 129 THR N . 15740 1 1419 . 1 1 126 126 ASP H H 1 7.682 0.0270 . 1 . . . . 130 ASP H . 15740 1 1420 . 1 1 126 126 ASP HB2 H 1 3.075 0.0110 . 1 . . . . 130 ASP HB2 . 15740 1 1421 . 1 1 126 126 ASP HB3 H 1 3.064 0.0170 . 1 . . . . 130 ASP HB3 . 15740 1 1422 . 1 1 126 126 ASP C C 13 176.838 0.0447 . 1 . . . . 130 ASP C . 15740 1 1423 . 1 1 126 126 ASP CA C 13 56.218 0.0630 . 1 . . . . 130 ASP CA . 15740 1 1424 . 1 1 126 126 ASP CB C 13 41.047 0.0330 . 1 . . . . 130 ASP CB . 15740 1 1425 . 1 1 126 126 ASP N N 15 119.519 0.1230 . 1 . . . . 130 ASP N . 15740 1 1426 . 1 1 127 127 LEU H H 1 6.996 0.0180 . 1 . . . . 131 LEU H . 15740 1 1427 . 1 1 127 127 LEU HA H 1 4.280 0.0070 . 1 . . . . 131 LEU HA . 15740 1 1428 . 1 1 127 127 LEU HB2 H 1 1.713 0.0180 . 1 . . . . 131 LEU HB2 . 15740 1 1429 . 1 1 127 127 LEU HB3 H 1 1.685 0.0160 . 1 . . . . 131 LEU HB3 . 15740 1 1430 . 1 1 127 127 LEU HD11 H 1 0.846 0.0070 . 1 . . . . 131 LEU HD11 . 15740 1 1431 . 1 1 127 127 LEU HD12 H 1 0.846 0.0070 . 1 . . . . 131 LEU HD12 . 15740 1 1432 . 1 1 127 127 LEU HD13 H 1 0.846 0.0070 . 1 . . . . 131 LEU HD13 . 15740 1 1433 . 1 1 127 127 LEU HD21 H 1 0.544 0.0070 . 1 . . . . 131 LEU HD21 . 15740 1 1434 . 1 1 127 127 LEU HD22 H 1 0.544 0.0070 . 1 . . . . 131 LEU HD22 . 15740 1 1435 . 1 1 127 127 LEU HD23 H 1 0.544 0.0070 . 1 . . . . 131 LEU HD23 . 15740 1 1436 . 1 1 127 127 LEU HG H 1 1.427 0.0190 . 1 . . . . 131 LEU HG . 15740 1 1437 . 1 1 127 127 LEU C C 13 176.889 0.0447 . 1 . . . . 131 LEU C . 15740 1 1438 . 1 1 127 127 LEU CA C 13 56.125 0.0710 . 1 . . . . 131 LEU CA . 15740 1 1439 . 1 1 127 127 LEU CB C 13 42.658 0.1430 . 1 . . . . 131 LEU CB . 15740 1 1440 . 1 1 127 127 LEU CD1 C 13 23.316 0.1050 . 1 . . . . 131 LEU CD1 . 15740 1 1441 . 1 1 127 127 LEU CD2 C 13 25.159 0.0440 . 1 . . . . 131 LEU CD2 . 15740 1 1442 . 1 1 127 127 LEU CG C 13 27.267 0.2580 . 1 . . . . 131 LEU CG . 15740 1 1443 . 1 1 127 127 LEU N N 15 118.069 0.0210 . 1 . . . . 131 LEU N . 15740 1 1444 . 1 1 128 128 MET H H 1 7.940 0.0070 . 1 . . . . 132 MET H . 15740 1 1445 . 1 1 128 128 MET HA H 1 4.808 0.0070 . 1 . . . . 132 MET HA . 15740 1 1446 . 1 1 128 128 MET HB2 H 1 1.980 0.0250 . 1 . . . . 132 MET HB2 . 15740 1 1447 . 1 1 128 128 MET HB3 H 1 1.729 0.0090 . 1 . . . . 132 MET HB3 . 15740 1 1448 . 1 1 128 128 MET HE1 H 1 1.717 0.0110 . 1 . . . . 132 MET HE1 . 15740 1 1449 . 1 1 128 128 MET HE2 H 1 1.717 0.0110 . 1 . . . . 132 MET HE2 . 15740 1 1450 . 1 1 128 128 MET HE3 H 1 1.717 0.0110 . 1 . . . . 132 MET HE3 . 15740 1 1451 . 1 1 128 128 MET HG2 H 1 2.432 0.0080 . 1 . . . . 132 MET HG2 . 15740 1 1452 . 1 1 128 128 MET HG3 H 1 2.425 0.0220 . 1 . . . . 132 MET HG3 . 15740 1 1453 . 1 1 128 128 MET C C 13 175.383 0.0447 . 1 . . . . 132 MET C . 15740 1 1454 . 1 1 128 128 MET CA C 13 51.493 0.0600 . 1 . . . . 132 MET CA . 15740 1 1455 . 1 1 128 128 MET CB C 13 27.764 0.1810 . 1 . . . . 132 MET CB . 15740 1 1456 . 1 1 128 128 MET CE C 13 15.960 0.0560 . 1 . . . . 132 MET CE . 15740 1 1457 . 1 1 128 128 MET CG C 13 31.170 0.0290 . 1 . . . . 132 MET CG . 15740 1 1458 . 1 1 128 128 MET N N 15 117.684 0.0840 . 1 . . . . 132 MET N . 15740 1 1459 . 1 1 129 129 THR H H 1 7.412 0.0110 . 1 . . . . 133 THR H . 15740 1 1460 . 1 1 129 129 THR HA H 1 4.309 0.0080 . 1 . . . . 133 THR HA . 15740 1 1461 . 1 1 129 129 THR HB H 1 4.716 0.0090 . 1 . . . . 133 THR HB . 15740 1 1462 . 1 1 129 129 THR HG21 H 1 1.326 0.0050 . 1 . . . . 133 THR HG21 . 15740 1 1463 . 1 1 129 129 THR HG22 H 1 1.326 0.0050 . 1 . . . . 133 THR HG22 . 15740 1 1464 . 1 1 129 129 THR HG23 H 1 1.326 0.0050 . 1 . . . . 133 THR HG23 . 15740 1 1465 . 1 1 129 129 THR C C 13 174.874 0.0447 . 1 . . . . 133 THR C . 15740 1 1466 . 1 1 129 129 THR CA C 13 60.592 0.0750 . 1 . . . . 133 THR CA . 15740 1 1467 . 1 1 129 129 THR CB C 13 70.864 0.0520 . 1 . . . . 133 THR CB . 15740 1 1468 . 1 1 129 129 THR CG2 C 13 22.282 0.0700 . 1 . . . . 133 THR CG2 . 15740 1 1469 . 1 1 129 129 THR N N 15 110.890 0.0370 . 1 . . . . 133 THR N . 15740 1 1470 . 1 1 130 130 ASP H H 1 8.939 0.0040 . 1 . . . . 134 ASP H . 15740 1 1471 . 1 1 130 130 ASP HA H 1 4.271 0.0140 . 1 . . . . 134 ASP HA . 15740 1 1472 . 1 1 130 130 ASP HB2 H 1 2.606 0.0100 . 1 . . . . 134 ASP HB2 . 15740 1 1473 . 1 1 130 130 ASP HB3 H 1 2.606 0.0090 . 1 . . . . 134 ASP HB3 . 15740 1 1474 . 1 1 130 130 ASP C C 13 178.404 0.0447 . 1 . . . . 134 ASP C . 15740 1 1475 . 1 1 130 130 ASP CA C 13 58.739 0.0960 . 1 . . . . 134 ASP CA . 15740 1 1476 . 1 1 130 130 ASP CB C 13 40.428 0.0600 . 1 . . . . 134 ASP CB . 15740 1 1477 . 1 1 130 130 ASP N N 15 121.017 0.0280 . 1 . . . . 134 ASP N . 15740 1 1478 . 1 1 131 131 ASP H H 1 8.346 0.0140 . 1 . . . . 135 ASP H . 15740 1 1479 . 1 1 131 131 ASP HA H 1 4.403 0.0120 . 1 . . . . 135 ASP HA . 15740 1 1480 . 1 1 131 131 ASP HB2 H 1 2.593 0.0070 . 1 . . . . 135 ASP HB2 . 15740 1 1481 . 1 1 131 131 ASP HB3 H 1 2.440 0.0030 . 1 . . . . 135 ASP HB3 . 15740 1 1482 . 1 1 131 131 ASP C C 13 178.255 0.0447 . 1 . . . . 135 ASP C . 15740 1 1483 . 1 1 131 131 ASP CA C 13 57.189 0.1560 . 1 . . . . 135 ASP CA . 15740 1 1484 . 1 1 131 131 ASP CB C 13 40.549 0.0460 . 1 . . . . 135 ASP CB . 15740 1 1485 . 1 1 131 131 ASP N N 15 116.432 0.0160 . 1 . . . . 135 ASP N . 15740 1 1486 . 1 1 132 132 ASN H H 1 7.526 0.0080 . 1 . . . . 136 ASN H . 15740 1 1487 . 1 1 132 132 ASN HA H 1 4.617 0.0030 . 1 . . . . 136 ASN HA . 15740 1 1488 . 1 1 132 132 ASN HB2 H 1 3.038 0.0140 . 1 . . . . 136 ASN HB2 . 15740 1 1489 . 1 1 132 132 ASN HB3 H 1 2.594 0.0270 . 1 . . . . 136 ASN HB3 . 15740 1 1490 . 1 1 132 132 ASN HD21 H 1 8.247 0.0140 . 1 . . . . 136 ASN HD21 . 15740 1 1491 . 1 1 132 132 ASN HD22 H 1 6.470 0.0050 . 1 . . . . 136 ASN HD22 . 15740 1 1492 . 1 1 132 132 ASN C C 13 177.993 0.0447 . 1 . . . . 136 ASN C . 15740 1 1493 . 1 1 132 132 ASN CA C 13 55.310 0.0190 . 1 . . . . 136 ASN CA . 15740 1 1494 . 1 1 132 132 ASN CB C 13 37.158 0.1370 . 1 . . . . 136 ASN CB . 15740 1 1495 . 1 1 132 132 ASN N N 15 120.964 0.0250 . 1 . . . . 136 ASN N . 15740 1 1496 . 1 1 132 132 ASN ND2 N 15 108.709 0.0320 . 1 . . . . 136 ASN ND2 . 15740 1 1497 . 1 1 133 133 ILE H H 1 8.963 0.0070 . 1 . . . . 137 ILE H . 15740 1 1498 . 1 1 133 133 ILE HA H 1 3.361 0.0040 . 1 . . . . 137 ILE HA . 15740 1 1499 . 1 1 133 133 ILE HB H 1 1.956 0.0100 . 1 . . . . 137 ILE HB . 15740 1 1500 . 1 1 133 133 ILE HD11 H 1 0.861 0.0050 . 1 . . . . 137 ILE HD11 . 15740 1 1501 . 1 1 133 133 ILE HD12 H 1 0.861 0.0050 . 1 . . . . 137 ILE HD12 . 15740 1 1502 . 1 1 133 133 ILE HD13 H 1 0.861 0.0050 . 1 . . . . 137 ILE HD13 . 15740 1 1503 . 1 1 133 133 ILE HG12 H 1 1.644 0.0230 . 1 . . . . 137 ILE HG12 . 15740 1 1504 . 1 1 133 133 ILE HG13 H 1 0.690 0.0120 . 1 . . . . 137 ILE HG13 . 15740 1 1505 . 1 1 133 133 ILE HG21 H 1 0.867 0.0090 . 1 . . . . 137 ILE HG21 . 15740 1 1506 . 1 1 133 133 ILE HG22 H 1 0.867 0.0090 . 1 . . . . 137 ILE HG22 . 15740 1 1507 . 1 1 133 133 ILE HG23 H 1 0.867 0.0090 . 1 . . . . 137 ILE HG23 . 15740 1 1508 . 1 1 133 133 ILE C C 13 177.294 0.0447 . 1 . . . . 137 ILE C . 15740 1 1509 . 1 1 133 133 ILE CA C 13 66.802 0.0700 . 1 . . . . 137 ILE CA . 15740 1 1510 . 1 1 133 133 ILE CB C 13 38.229 0.1630 . 1 . . . . 137 ILE CB . 15740 1 1511 . 1 1 133 133 ILE CD1 C 13 13.761 0.0780 . 1 . . . . 137 ILE CD1 . 15740 1 1512 . 1 1 133 133 ILE CG1 C 13 30.579 0.0410 . 1 . . . . 137 ILE CG1 . 15740 1 1513 . 1 1 133 133 ILE CG2 C 13 17.495 0.0550 . 1 . . . . 137 ILE CG2 . 15740 1 1514 . 1 1 133 133 ILE N N 15 122.493 0.0250 . 1 . . . . 137 ILE N . 15740 1 1515 . 1 1 134 134 ASN H H 1 7.793 0.0070 . 1 . . . . 138 ASN H . 15740 1 1516 . 1 1 134 134 ASN HA H 1 4.441 0.0160 . 1 . . . . 138 ASN HA . 15740 1 1517 . 1 1 134 134 ASN HB2 H 1 2.971 0.0140 . 1 . . . . 138 ASN HB2 . 15740 1 1518 . 1 1 134 134 ASN HB3 H 1 2.880 0.0150 . 1 . . . . 138 ASN HB3 . 15740 1 1519 . 1 1 134 134 ASN HD21 H 1 7.803 0.0060 . 1 . . . . 138 ASN HD21 . 15740 1 1520 . 1 1 134 134 ASN HD22 H 1 6.974 0.0040 . 1 . . . . 138 ASN HD22 . 15740 1 1521 . 1 1 134 134 ASN C C 13 177.413 0.0447 . 1 . . . . 138 ASN C . 15740 1 1522 . 1 1 134 134 ASN CA C 13 56.424 0.0480 . 1 . . . . 138 ASN CA . 15740 1 1523 . 1 1 134 134 ASN CB C 13 37.817 0.0740 . 1 . . . . 138 ASN CB . 15740 1 1524 . 1 1 134 134 ASN N N 15 117.059 0.0470 . 1 . . . . 138 ASN N . 15740 1 1525 . 1 1 134 134 ASN ND2 N 15 113.475 0.0440 . 1 . . . . 138 ASN ND2 . 15740 1 1526 . 1 1 135 135 ILE H H 1 7.821 0.0130 . 1 . . . . 139 ILE H . 15740 1 1527 . 1 1 135 135 ILE HA H 1 3.652 0.0040 . 1 . . . . 139 ILE HA . 15740 1 1528 . 1 1 135 135 ILE HB H 1 1.886 0.0110 . 1 . . . . 139 ILE HB . 15740 1 1529 . 1 1 135 135 ILE HD11 H 1 0.691 0.0080 . 1 . . . . 139 ILE HD11 . 15740 1 1530 . 1 1 135 135 ILE HD12 H 1 0.691 0.0080 . 1 . . . . 139 ILE HD12 . 15740 1 1531 . 1 1 135 135 ILE HD13 H 1 0.691 0.0080 . 1 . . . . 139 ILE HD13 . 15740 1 1532 . 1 1 135 135 ILE HG12 H 1 1.904 0.0160 . 1 . . . . 139 ILE HG12 . 15740 1 1533 . 1 1 135 135 ILE HG13 H 1 0.981 0.0300 . 1 . . . . 139 ILE HG13 . 15740 1 1534 . 1 1 135 135 ILE HG21 H 1 0.703 0.0100 . 1 . . . . 139 ILE HG21 . 15740 1 1535 . 1 1 135 135 ILE HG22 H 1 0.703 0.0100 . 1 . . . . 139 ILE HG22 . 15740 1 1536 . 1 1 135 135 ILE HG23 H 1 0.703 0.0100 . 1 . . . . 139 ILE HG23 . 15740 1 1537 . 1 1 135 135 ILE C C 13 178.971 0.0447 . 1 . . . . 139 ILE C . 15740 1 1538 . 1 1 135 135 ILE CA C 13 65.446 0.0520 . 1 . . . . 139 ILE CA . 15740 1 1539 . 1 1 135 135 ILE CB C 13 38.059 0.0890 . 1 . . . . 139 ILE CB . 15740 1 1540 . 1 1 135 135 ILE CD1 C 13 12.465 0.0350 . 1 . . . . 139 ILE CD1 . 15740 1 1541 . 1 1 135 135 ILE CG1 C 13 29.103 0.0450 . 1 . . . . 139 ILE CG1 . 15740 1 1542 . 1 1 135 135 ILE CG2 C 13 17.663 0.0290 . 1 . . . . 139 ILE CG2 . 15740 1 1543 . 1 1 135 135 ILE N N 15 118.660 0.1020 . 1 . . . . 139 ILE N . 15740 1 1544 . 1 1 136 136 LEU H H 1 7.962 0.0060 . 1 . . . . 140 LEU H . 15740 1 1545 . 1 1 136 136 LEU HA H 1 4.309 0.0080 . 1 . . . . 140 LEU HA . 15740 1 1546 . 1 1 136 136 LEU HB2 H 1 1.991 0.0200 . 1 . . . . 140 LEU HB2 . 15740 1 1547 . 1 1 136 136 LEU HB3 H 1 1.622 0.0110 . 1 . . . . 140 LEU HB3 . 15740 1 1548 . 1 1 136 136 LEU HD11 H 1 0.976 0.0130 . 1 . . . . 140 LEU HD11 . 15740 1 1549 . 1 1 136 136 LEU HD12 H 1 0.976 0.0130 . 1 . . . . 140 LEU HD12 . 15740 1 1550 . 1 1 136 136 LEU HD13 H 1 0.976 0.0130 . 1 . . . . 140 LEU HD13 . 15740 1 1551 . 1 1 136 136 LEU HD21 H 1 0.857 0.0090 . 1 . . . . 140 LEU HD21 . 15740 1 1552 . 1 1 136 136 LEU HD22 H 1 0.857 0.0090 . 1 . . . . 140 LEU HD22 . 15740 1 1553 . 1 1 136 136 LEU HD23 H 1 0.857 0.0090 . 1 . . . . 140 LEU HD23 . 15740 1 1554 . 1 1 136 136 LEU HG H 1 1.630 0.0100 . 1 . . . . 140 LEU HG . 15740 1 1555 . 1 1 136 136 LEU C C 13 178.030 0.0447 . 1 . . . . 140 LEU C . 15740 1 1556 . 1 1 136 136 LEU CA C 13 58.770 0.0760 . 1 . . . . 140 LEU CA . 15740 1 1557 . 1 1 136 136 LEU CB C 13 42.438 0.0570 . 1 . . . . 140 LEU CB . 15740 1 1558 . 1 1 136 136 LEU CD1 C 13 24.704 0.0590 . 1 . . . . 140 LEU CD1 . 15740 1 1559 . 1 1 136 136 LEU CD2 C 13 26.974 0.0650 . 1 . . . . 140 LEU CD2 . 15740 1 1560 . 1 1 136 136 LEU CG C 13 27.113 0.1060 . 1 . . . . 140 LEU CG . 15740 1 1561 . 1 1 136 136 LEU N N 15 120.114 0.0320 . 1 . . . . 140 LEU N . 15740 1 1562 . 1 1 137 137 ILE H H 1 8.929 0.0120 . 1 . . . . 141 ILE H . 15740 1 1563 . 1 1 137 137 ILE HA H 1 3.711 0.0150 . 1 . . . . 141 ILE HA . 15740 1 1564 . 1 1 137 137 ILE HB H 1 1.886 0.0120 . 1 . . . . 141 ILE HB . 15740 1 1565 . 1 1 137 137 ILE HD11 H 1 0.864 0.0100 . 1 . . . . 141 ILE HD11 . 15740 1 1566 . 1 1 137 137 ILE HD12 H 1 0.864 0.0100 . 1 . . . . 141 ILE HD12 . 15740 1 1567 . 1 1 137 137 ILE HD13 H 1 0.864 0.0100 . 1 . . . . 141 ILE HD13 . 15740 1 1568 . 1 1 137 137 ILE HG12 H 1 1.672 0.0100 . 1 . . . . 141 ILE HG12 . 15740 1 1569 . 1 1 137 137 ILE HG13 H 1 1.212 0.0160 . 1 . . . . 141 ILE HG13 . 15740 1 1570 . 1 1 137 137 ILE HG21 H 1 0.990 0.0020 . 1 . . . . 141 ILE HG21 . 15740 1 1571 . 1 1 137 137 ILE HG22 H 1 0.990 0.0020 . 1 . . . . 141 ILE HG22 . 15740 1 1572 . 1 1 137 137 ILE HG23 H 1 0.990 0.0020 . 1 . . . . 141 ILE HG23 . 15740 1 1573 . 1 1 137 137 ILE C C 13 177.081 0.0447 . 1 . . . . 141 ILE C . 15740 1 1574 . 1 1 137 137 ILE CA C 13 65.672 0.0460 . 1 . . . . 141 ILE CA . 15740 1 1575 . 1 1 137 137 ILE CB C 13 37.761 0.0630 . 1 . . . . 141 ILE CB . 15740 1 1576 . 1 1 137 137 ILE CD1 C 13 13.664 0.0510 . 1 . . . . 141 ILE CD1 . 15740 1 1577 . 1 1 137 137 ILE CG1 C 13 29.601 0.0910 . 1 . . . . 141 ILE CG1 . 15740 1 1578 . 1 1 137 137 ILE CG2 C 13 17.279 0.0290 . 1 . . . . 141 ILE CG2 . 15740 1 1579 . 1 1 137 137 ILE N N 15 119.012 0.0710 . 1 . . . . 141 ILE N . 15740 1 1580 . 1 1 138 138 LEU H H 1 8.108 0.0050 . 1 . . . . 142 LEU H . 15740 1 1581 . 1 1 138 138 LEU HA H 1 4.111 0.0050 . 1 . . . . 142 LEU HA . 15740 1 1582 . 1 1 138 138 LEU HB2 H 1 1.875 0.0090 . 1 . . . . 142 LEU HB2 . 15740 1 1583 . 1 1 138 138 LEU HB3 H 1 1.561 0.0060 . 1 . . . . 142 LEU HB3 . 15740 1 1584 . 1 1 138 138 LEU HD11 H 1 0.913 0.0090 . 1 . . . . 142 LEU HD11 . 15740 1 1585 . 1 1 138 138 LEU HD12 H 1 0.913 0.0090 . 1 . . . . 142 LEU HD12 . 15740 1 1586 . 1 1 138 138 LEU HD13 H 1 0.913 0.0090 . 1 . . . . 142 LEU HD13 . 15740 1 1587 . 1 1 138 138 LEU HD21 H 1 0.906 0.0080 . 1 . . . . 142 LEU HD21 . 15740 1 1588 . 1 1 138 138 LEU HD22 H 1 0.906 0.0080 . 1 . . . . 142 LEU HD22 . 15740 1 1589 . 1 1 138 138 LEU HD23 H 1 0.906 0.0080 . 1 . . . . 142 LEU HD23 . 15740 1 1590 . 1 1 138 138 LEU HG H 1 1.837 0.0060 . 1 . . . . 142 LEU HG . 15740 1 1591 . 1 1 138 138 LEU C C 13 179.914 0.0447 . 1 . . . . 142 LEU C . 15740 1 1592 . 1 1 138 138 LEU CA C 13 58.008 0.0670 . 1 . . . . 142 LEU CA . 15740 1 1593 . 1 1 138 138 LEU CB C 13 41.826 0.0420 . 1 . . . . 142 LEU CB . 15740 1 1594 . 1 1 138 138 LEU CD1 C 13 23.426 0.0410 . 1 . . . . 142 LEU CD1 . 15740 1 1595 . 1 1 138 138 LEU CD2 C 13 25.039 0.0270 . 1 . . . . 142 LEU CD2 . 15740 1 1596 . 1 1 138 138 LEU CG C 13 27.176 0.0970 . 1 . . . . 142 LEU CG . 15740 1 1597 . 1 1 138 138 LEU N N 15 119.950 0.0490 . 1 . . . . 142 LEU N . 15740 1 1598 . 1 1 139 139 PHE H H 1 7.708 0.0130 . 1 . . . . 143 PHE H . 15740 1 1599 . 1 1 139 139 PHE HA H 1 4.324 0.0040 . 1 . . . . 143 PHE HA . 15740 1 1600 . 1 1 139 139 PHE HB2 H 1 3.496 0.0070 . 1 . . . . 143 PHE HB2 . 15740 1 1601 . 1 1 139 139 PHE HB3 H 1 3.381 0.0170 . 1 . . . . 143 PHE HB3 . 15740 1 1602 . 1 1 139 139 PHE HD1 H 1 7.193 0.0080 . 3 . . . . 143 PHE HD1 . 15740 1 1603 . 1 1 139 139 PHE HD2 H 1 7.193 0.0080 . 3 . . . . 143 PHE HD2 . 15740 1 1604 . 1 1 139 139 PHE HE1 H 1 7.041 0.0120 . 3 . . . . 143 PHE HE1 . 15740 1 1605 . 1 1 139 139 PHE HE2 H 1 7.041 0.0120 . 3 . . . . 143 PHE HE2 . 15740 1 1606 . 1 1 139 139 PHE C C 13 177.501 0.0447 . 1 . . . . 143 PHE C . 15740 1 1607 . 1 1 139 139 PHE CA C 13 61.497 0.0510 . 1 . . . . 143 PHE CA . 15740 1 1608 . 1 1 139 139 PHE CB C 13 40.588 0.1030 . 1 . . . . 143 PHE CB . 15740 1 1609 . 1 1 139 139 PHE CD1 C 13 130.856 0.0447 . 3 . . . . 143 PHE CD1 . 15740 1 1610 . 1 1 139 139 PHE CD2 C 13 130.856 0.0447 . 3 . . . . 143 PHE CD2 . 15740 1 1611 . 1 1 139 139 PHE CE1 C 13 133.337 0.0447 . 3 . . . . 143 PHE CE1 . 15740 1 1612 . 1 1 139 139 PHE CE2 C 13 133.337 0.0447 . 3 . . . . 143 PHE CE2 . 15740 1 1613 . 1 1 139 139 PHE N N 15 118.183 0.0450 . 1 . . . . 143 PHE N . 15740 1 1614 . 1 1 140 140 LEU H H 1 8.791 0.0100 . 1 . . . . 144 LEU H . 15740 1 1615 . 1 1 140 140 LEU HA H 1 3.747 0.0080 . 1 . . . . 144 LEU HA . 15740 1 1616 . 1 1 140 140 LEU HB2 H 1 1.999 0.0160 . 1 . . . . 144 LEU HB2 . 15740 1 1617 . 1 1 140 140 LEU HB3 H 1 1.138 0.0090 . 1 . . . . 144 LEU HB3 . 15740 1 1618 . 1 1 140 140 LEU HD11 H 1 0.676 0.0130 . 1 . . . . 144 LEU HD11 . 15740 1 1619 . 1 1 140 140 LEU HD12 H 1 0.676 0.0130 . 1 . . . . 144 LEU HD12 . 15740 1 1620 . 1 1 140 140 LEU HD13 H 1 0.676 0.0130 . 1 . . . . 144 LEU HD13 . 15740 1 1621 . 1 1 140 140 LEU HD21 H 1 0.701 0.0120 . 1 . . . . 144 LEU HD21 . 15740 1 1622 . 1 1 140 140 LEU HD22 H 1 0.701 0.0120 . 1 . . . . 144 LEU HD22 . 15740 1 1623 . 1 1 140 140 LEU HD23 H 1 0.701 0.0120 . 1 . . . . 144 LEU HD23 . 15740 1 1624 . 1 1 140 140 LEU HG H 1 2.089 0.0350 . 1 . . . . 144 LEU HG . 15740 1 1625 . 1 1 140 140 LEU C C 13 179.072 0.0447 . 1 . . . . 144 LEU C . 15740 1 1626 . 1 1 140 140 LEU CA C 13 57.649 0.0880 . 1 . . . . 144 LEU CA . 15740 1 1627 . 1 1 140 140 LEU CB C 13 42.132 0.0560 . 1 . . . . 144 LEU CB . 15740 1 1628 . 1 1 140 140 LEU CD1 C 13 25.553 0.0470 . 1 . . . . 144 LEU CD1 . 15740 1 1629 . 1 1 140 140 LEU CD2 C 13 21.649 0.0300 . 1 . . . . 144 LEU CD2 . 15740 1 1630 . 1 1 140 140 LEU CG C 13 26.731 0.0580 . 1 . . . . 144 LEU CG . 15740 1 1631 . 1 1 140 140 LEU N N 15 118.407 0.0230 . 1 . . . . 144 LEU N . 15740 1 1632 . 1 1 141 141 GLU H H 1 8.911 0.0060 . 1 . . . . 145 GLU H . 15740 1 1633 . 1 1 141 141 GLU HA H 1 3.856 0.0140 . 1 . . . . 145 GLU HA . 15740 1 1634 . 1 1 141 141 GLU HB2 H 1 2.183 0.0090 . 1 . . . . 145 GLU HB2 . 15740 1 1635 . 1 1 141 141 GLU HB3 H 1 1.973 0.0070 . 1 . . . . 145 GLU HB3 . 15740 1 1636 . 1 1 141 141 GLU HG2 H 1 2.440 0.0060 . 1 . . . . 145 GLU HG2 . 15740 1 1637 . 1 1 141 141 GLU HG3 H 1 2.183 0.0090 . 1 . . . . 145 GLU HG3 . 15740 1 1638 . 1 1 141 141 GLU C C 13 178.725 0.0447 . 1 . . . . 145 GLU C . 15740 1 1639 . 1 1 141 141 GLU CA C 13 59.720 0.0700 . 1 . . . . 145 GLU CA . 15740 1 1640 . 1 1 141 141 GLU CB C 13 29.574 0.0640 . 1 . . . . 145 GLU CB . 15740 1 1641 . 1 1 141 141 GLU CG C 13 36.937 0.0850 . 1 . . . . 145 GLU CG . 15740 1 1642 . 1 1 141 141 GLU N N 15 119.190 0.0330 . 1 . . . . 145 GLU N . 15740 1 1643 . 1 1 142 142 LYS H H 1 7.068 0.0090 . 1 . . . . 146 LYS H . 15740 1 1644 . 1 1 142 142 LYS HA H 1 4.093 0.0080 . 1 . . . . 146 LYS HA . 15740 1 1645 . 1 1 142 142 LYS HB2 H 1 1.865 0.0080 . 1 . . . . 146 LYS HB2 . 15740 1 1646 . 1 1 142 142 LYS HB3 H 1 1.864 0.0060 . 1 . . . . 146 LYS HB3 . 15740 1 1647 . 1 1 142 142 LYS HG2 H 1 1.579 0.0030 . 1 . . . . 146 LYS HG2 . 15740 1 1648 . 1 1 142 142 LYS HG3 H 1 1.452 0.0050 . 1 . . . . 146 LYS HG3 . 15740 1 1649 . 1 1 142 142 LYS C C 13 178.701 0.0447 . 1 . . . . 146 LYS C . 15740 1 1650 . 1 1 142 142 LYS CA C 13 58.032 0.0920 . 1 . . . . 146 LYS CA . 15740 1 1651 . 1 1 142 142 LYS CB C 13 32.122 0.0730 . 1 . . . . 146 LYS CB . 15740 1 1652 . 1 1 142 142 LYS CG C 13 24.916 0.0630 . 1 . . . . 146 LYS CG . 15740 1 1653 . 1 1 142 142 LYS N N 15 116.174 0.1780 . 1 . . . . 146 LYS N . 15740 1 1654 . 1 1 143 143 LYS H H 1 7.431 0.0100 . 1 . . . . 147 LYS H . 15740 1 1655 . 1 1 143 143 LYS HA H 1 4.054 0.0070 . 1 . . . . 147 LYS HA . 15740 1 1656 . 1 1 143 143 LYS HB2 H 1 1.542 0.0280 . 1 . . . . 147 LYS HB2 . 15740 1 1657 . 1 1 143 143 LYS HB3 H 1 1.541 0.0310 . 1 . . . . 147 LYS HB3 . 15740 1 1658 . 1 1 143 143 LYS HD2 H 1 1.341 0.0080 . 1 . . . . 147 LYS HD2 . 15740 1 1659 . 1 1 143 143 LYS HD3 H 1 1.340 0.0080 . 1 . . . . 147 LYS HD3 . 15740 1 1660 . 1 1 143 143 LYS HE2 H 1 2.823 0.0010 . 1 . . . . 147 LYS HE2 . 15740 1 1661 . 1 1 143 143 LYS HE3 H 1 2.655 0.0020 . 1 . . . . 147 LYS HE3 . 15740 1 1662 . 1 1 143 143 LYS HG2 H 1 0.877 0.0180 . 1 . . . . 147 LYS HG2 . 15740 1 1663 . 1 1 143 143 LYS HG3 H 1 0.873 0.0140 . 1 . . . . 147 LYS HG3 . 15740 1 1664 . 1 1 143 143 LYS C C 13 178.113 0.0447 . 1 . . . . 147 LYS C . 15740 1 1665 . 1 1 143 143 LYS CA C 13 55.786 0.0720 . 1 . . . . 147 LYS CA . 15740 1 1666 . 1 1 143 143 LYS CB C 13 32.373 0.1350 . 1 . . . . 147 LYS CB . 15740 1 1667 . 1 1 143 143 LYS CD C 13 26.944 0.0660 . 1 . . . . 147 LYS CD . 15740 1 1668 . 1 1 143 143 LYS CE C 13 41.842 0.0620 . 1 . . . . 147 LYS CE . 15740 1 1669 . 1 1 143 143 LYS CG C 13 22.701 0.0210 . 1 . . . . 147 LYS CG . 15740 1 1670 . 1 1 143 143 LYS N N 15 115.998 0.0290 . 1 . . . . 147 LYS N . 15740 1 1671 . 1 1 144 144 LEU H H 1 7.880 0.0060 . 1 . . . . 148 LEU H . 15740 1 1672 . 1 1 144 144 LEU HA H 1 4.441 0.0030 . 1 . . . . 148 LEU HA . 15740 1 1673 . 1 1 144 144 LEU HB2 H 1 1.667 0.0180 . 1 . . . . 148 LEU HB2 . 15740 1 1674 . 1 1 144 144 LEU HB3 H 1 1.665 0.0170 . 1 . . . . 148 LEU HB3 . 15740 1 1675 . 1 1 144 144 LEU HD11 H 1 0.663 0.0120 . 1 . . . . 148 LEU HD11 . 15740 1 1676 . 1 1 144 144 LEU HD12 H 1 0.663 0.0120 . 1 . . . . 148 LEU HD12 . 15740 1 1677 . 1 1 144 144 LEU HD13 H 1 0.663 0.0120 . 1 . . . . 148 LEU HD13 . 15740 1 1678 . 1 1 144 144 LEU HD21 H 1 0.665 0.0110 . 1 . . . . 148 LEU HD21 . 15740 1 1679 . 1 1 144 144 LEU HD22 H 1 0.665 0.0110 . 1 . . . . 148 LEU HD22 . 15740 1 1680 . 1 1 144 144 LEU HD23 H 1 0.665 0.0110 . 1 . . . . 148 LEU HD23 . 15740 1 1681 . 1 1 144 144 LEU HG H 1 1.551 0.0060 . 1 . . . . 148 LEU HG . 15740 1 1682 . 1 1 144 144 LEU C C 13 176.164 0.0447 . 1 . . . . 148 LEU C . 15740 1 1683 . 1 1 144 144 LEU CA C 13 54.530 0.0640 . 1 . . . . 148 LEU CA . 15740 1 1684 . 1 1 144 144 LEU CB C 13 41.775 0.0410 . 1 . . . . 148 LEU CB . 15740 1 1685 . 1 1 144 144 LEU CD1 C 13 26.790 0.0690 . 1 . . . . 148 LEU CD1 . 15740 1 1686 . 1 1 144 144 LEU CD2 C 13 22.543 0.0720 . 1 . . . . 148 LEU CD2 . 15740 1 1687 . 1 1 144 144 LEU CG C 13 26.857 0.0580 . 1 . . . . 148 LEU CG . 15740 1 1688 . 1 1 144 144 LEU N N 15 117.654 0.0350 . 1 . . . . 148 LEU N . 15740 1 1689 . 1 1 145 145 ASN H H 1 7.499 0.0140 . 1 . . . . 149 ASN H . 15740 1 1690 . 1 1 145 145 ASN HA H 1 4.468 0.0210 . 1 . . . . 149 ASN HA . 15740 1 1691 . 1 1 145 145 ASN HB2 H 1 2.786 0.0060 . 1 . . . . 149 ASN HB2 . 15740 1 1692 . 1 1 145 145 ASN HB3 H 1 2.785 0.0060 . 1 . . . . 149 ASN HB3 . 15740 1 1693 . 1 1 145 145 ASN HD21 H 1 7.582 0.0030 . 1 . . . . 149 ASN HD21 . 15740 1 1694 . 1 1 145 145 ASN HD22 H 1 6.900 0.0030 . 1 . . . . 149 ASN HD22 . 15740 1 1695 . 1 1 145 145 ASN CA C 13 54.981 0.0150 . 1 . . . . 149 ASN CA . 15740 1 1696 . 1 1 145 145 ASN CB C 13 40.030 0.0720 . 1 . . . . 149 ASN CB . 15740 1 1697 . 1 1 145 145 ASN N N 15 124.579 0.0210 . 1 . . . . 149 ASN N . 15740 1 1698 . 1 1 145 145 ASN ND2 N 15 112.804 0.0180 . 1 . . . . 149 ASN ND2 . 15740 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15740 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $K7R_CONDITIONS_1 _RDC_list.Spectrometer_frequency_1H 750 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details '1H-15N J modulated hsqc spectra with an without 12mg/ml phage' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 16 '2D j modulated 1H-15N HSQC' . . . 15740 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 6 $NMRView . . 15740 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 17 17 CYS H H 1 . . 1 1 17 17 CYS N N 15 . -10.870 . . 0.259 . . . . 21 CYS HN . 21 CYS N 15740 1 2 DNH . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER N N 15 . 5.150 . . 0.163 . . . . 22 SER HN . 22 SER N 15740 1 3 DNH . 1 1 20 20 ASP H H 1 . . 1 1 20 20 ASP N N 15 . -3.980 . . 0.653 . . . . 24 ASP HN . 24 ASP N 15740 1 4 DNH . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER N N 15 . -9.690 . . 0.194 . . . . 25 SER HN . 25 SER N 15740 1 5 DNH . 1 1 22 22 ILE H H 1 . . 1 1 22 22 ILE N N 15 . 8.760 . . 0.160 . . . . 26 ILE HN . 26 ILE N 15740 1 6 DNH . 1 1 24 24 ASP H H 1 . . 1 1 24 24 ASP N N 15 . -4.030 . . 0.177 . . . . 28 ASP HN . 28 ASP N 15740 1 7 DNH . 1 1 25 25 LEU H H 1 . . 1 1 25 25 LEU N N 15 . -8.190 . . 0.166 . . . . 29 LEU HN . 29 LEU N 15740 1 8 DNH . 1 1 27 27 ASP H H 1 . . 1 1 27 27 ASP N N 15 . -6.080 . . 0.214 . . . . 31 ASP HN . 31 ASP N 15740 1 9 DNH . 1 1 28 28 GLU H H 1 . . 1 1 28 28 GLU N N 15 . -3.520 . . 0.378 . . . . 32 GLU HN . 32 GLU N 15740 1 10 DNH . 1 1 29 29 TYR H H 1 . . 1 1 29 29 TYR N N 15 . -5.610 . . 0.306 . . . . 33 TYR HN . 33 TYR N 15740 1 11 DNH . 1 1 30 30 ILE H H 1 . . 1 1 30 30 ILE N N 15 . -4.080 . . 0.485 . . . . 34 ILE HN . 34 ILE N 15740 1 12 DNH . 1 1 32 32 TRP H H 1 . . 1 1 32 32 TRP N N 15 . -2.920 . . 0.455 . . . . 36 TRP HN . 36 TRP N 15740 1 13 DNH . 1 1 34 34 ASN H H 1 . . 1 1 34 34 ASN N N 15 . -6.250 . . 0.304 . . . . 38 ASN HN . 38 ASN N 15740 1 14 DNH . 1 1 35 35 HIS H H 1 . . 1 1 35 35 HIS N N 15 . -4.440 . . 0.438 . . . . 39 HIS HN . 39 HIS N 15740 1 15 DNH . 1 1 36 36 VAL H H 1 . . 1 1 36 36 VAL N N 15 . 0.900 . . 0.553 . . . . 40 VAL HN . 40 VAL N 15740 1 16 DNH . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE N N 15 . -2.120 . . 0.200 . . . . 41 ILE HN . 41 ILE N 15740 1 17 DNH . 1 1 39 39 PHE H H 1 . . 1 1 39 39 PHE N N 15 . 1.710 . . 0.242 . . . . 43 PHE HN . 43 PHE N 15740 1 18 DNH . 1 1 50 50 TYR H H 1 . . 1 1 50 50 TYR N N 15 . -6.260 . . 0.337 . . . . 54 TYR HN . 54 TYR N 15740 1 19 DNH . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . -11.620 . . 0.231 . . . . 55 LYS HN . 55 LYS N 15740 1 20 DNH . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -6.130 . . 0.260 . . . . 57 LEU HN . 57 LEU N 15740 1 21 DNH . 1 1 55 55 LYS H H 1 . . 1 1 55 55 LYS N N 15 . -12.640 . . 0.206 . . . . 59 LYS HN . 59 LYS N 15740 1 22 DNH . 1 1 57 57 ASP H H 1 . . 1 1 57 57 ASP N N 15 . -8.410 . . 0.200 . . . . 61 ASP HN . 61 ASP N 15740 1 23 DNH . 1 1 58 58 ASP H H 1 . . 1 1 58 58 ASP N N 15 . -11.430 . . 0.200 . . . . 62 ASP HN . 62 ASP N 15740 1 24 DNH . 1 1 59 59 VAL H H 1 . . 1 1 59 59 VAL N N 15 . -3.510 . . 0.185 . . . . 63 VAL HN . 63 VAL N 15740 1 25 DNH . 1 1 60 60 ALA H H 1 . . 1 1 60 60 ALA N N 15 . -5.280 . . 0.208 . . . . 64 ALA HN . 64 ALA N 15740 1 26 DNH . 1 1 62 62 ARG H H 1 . . 1 1 62 62 ARG N N 15 . -11.240 . . 0.179 . . . . 66 ARG HN . 66 ARG N 15740 1 27 DNH . 1 1 64 64 TYR H H 1 . . 1 1 64 64 TYR N N 15 . -6.410 . . 0.280 . . . . 68 TYR HN . 68 TYR N 15740 1 28 DNH . 1 1 65 65 GLY H H 1 . . 1 1 65 65 GLY N N 15 . -11.830 . . 0.243 . . . . 69 GLY HN . 69 GLY N 15740 1 29 DNH . 1 1 66 66 ILE H H 1 . . 1 1 66 66 ILE N N 15 . 13.480 . . 0.202 . . . . 70 ILE HN . 70 ILE N 15740 1 30 DNH . 1 1 67 67 ASP H H 1 . . 1 1 67 67 ASP N N 15 . 12.590 . . 0.151 . . . . 71 ASP HN . 71 ASP N 15740 1 31 DNH . 1 1 68 68 LYS H H 1 . . 1 1 68 68 LYS N N 15 . 9.830 . . 0.179 . . . . 72 LYS HN . 72 LYS N 15740 1 32 DNH . 1 1 70 70 ASN H H 1 . . 1 1 70 70 ASN N N 15 . 12.610 . . 0.169 . . . . 74 ASN HN . 74 ASN N 15740 1 33 DNH . 1 1 71 71 GLU H H 1 . . 1 1 71 71 GLU N N 15 . 13.820 . . 0.133 . . . . 75 GLU HN . 75 GLU N 15740 1 34 DNH . 1 1 73 73 VAL H H 1 . . 1 1 73 73 VAL N N 15 . 12.830 . . 0.274 . . . . 77 VAL HN . 77 VAL N 15740 1 35 DNH . 1 1 75 75 ALA H H 1 . . 1 1 75 75 ALA N N 15 . 13.850 . . 0.256 . . . . 79 ALA HN . 79 ALA N 15740 1 36 DNH . 1 1 76 76 MET H H 1 . . 1 1 76 76 MET N N 15 . 12.880 . . 0.839 . . . . 80 MET HN . 80 MET N 15740 1 37 DNH . 1 1 77 77 SER H H 1 . . 1 1 77 77 SER N N 15 . 3.870 . . 0.539 . . . . 81 SER HN . 81 SER N 15740 1 38 DNH . 1 1 79 79 GLY H H 1 . . 1 1 79 79 GLY N N 15 . 2.530 . . 0.798 . . . . 83 GLY HN . 83 GLY N 15740 1 39 DNH . 1 1 91 91 GLN H H 1 . . 1 1 91 91 GLN N N 15 . 6.320 . . 0.307 . . . . 95 GLN HN . 95 GLN N 15740 1 40 DNH . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . 6.190 . . 0.253 . . . . 96 GLU HN . 96 GLU N 15740 1 41 DNH . 1 1 93 93 SER H H 1 . . 1 1 93 93 SER N N 15 . 2.250 . . 0.298 . . . . 97 SER HN . 97 SER N 15740 1 42 DNH . 1 1 94 94 LEU H H 1 . . 1 1 94 94 LEU N N 15 . 7.090 . . 0.595 . . . . 98 LEU HN . 98 LEU N 15740 1 43 DNH . 1 1 95 95 PHE H H 1 . . 1 1 95 95 PHE N N 15 . 11.160 . . 0.286 . . . . 99 PHE HN . 99 PHE N 15740 1 44 DNH . 1 1 97 97 THR H H 1 . . 1 1 97 97 THR N N 15 . 1.260 . . 0.207 . . . . 101 THR HN . 101 THR N 15740 1 45 DNH . 1 1 98 98 ILE H H 1 . . 1 1 98 98 ILE N N 15 . 9.080 . . 0.448 . . . . 102 ILE HN . 102 ILE N 15740 1 46 DNH . 1 1 99 99 GLY H H 1 . . 1 1 99 99 GLY N N 15 . 8.310 . . 0.308 . . . . 103 GLY HN . 103 GLY N 15740 1 47 DNH . 1 1 100 100 ILE H H 1 . . 1 1 100 100 ILE N N 15 . 2.040 . . 0.211 . . . . 104 ILE HN . 104 ILE N 15740 1 48 DNH . 1 1 101 101 CYS H H 1 . . 1 1 101 101 CYS N N 15 . 2.240 . . 0.306 . . . . 105 CYS HN . 105 CYS N 15740 1 49 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . 9.390 . . 0.259 . . . . 106 ALA HN . 106 ALA N 15740 1 50 DNH . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS N N 15 . 5.410 . . 0.294 . . . . 107 LYS HN . 107 LYS N 15740 1 51 DNH . 1 1 104 104 ILE H H 1 . . 1 1 104 104 ILE N N 15 . 3.460 . . 0.676 . . . . 108 ILE HN . 108 ILE N 15740 1 52 DNH . 1 1 105 105 THR H H 1 . . 1 1 105 105 THR N N 15 . 8.270 . . 0.539 . . . . 109 THR HN . 109 THR N 15740 1 53 DNH . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU N N 15 . 1.720 . . 1.070 . . . . 110 GLU HN . 110 GLU N 15740 1 54 DNH . 1 1 108 108 TRP H H 1 . . 1 1 108 108 TRP N N 15 . 9.220 . . 0.586 . . . . 112 TRP HN . 112 TRP N 15740 1 55 DNH . 1 1 109 109 GLY H H 1 . . 1 1 109 109 GLY N N 15 . 2.970 . . 0.697 . . . . 113 GLY HN . 113 GLY N 15740 1 56 DNH . 1 1 110 110 TYR H H 1 . . 1 1 110 110 TYR N N 15 . 7.180 . . 0.728 . . . . 114 TYR HN . 114 TYR N 15740 1 57 DNH . 1 1 130 130 ASP H H 1 . . 1 1 130 130 ASP N N 15 . 4.520 . . 0.194 . . . . 134 ASP HN . 134 ASP N 15740 1 58 DNH . 1 1 131 131 ASP H H 1 . . 1 1 131 131 ASP N N 15 . 0.850 . . 0.151 . . . . 135 ASP HN . 135 ASP N 15740 1 59 DNH . 1 1 132 132 ASN H H 1 . . 1 1 132 132 ASN N N 15 . 10.330 . . 0.189 . . . . 136 ASN HN . 136 ASN N 15740 1 60 DNH . 1 1 133 133 ILE H H 1 . . 1 1 133 133 ILE N N 15 . 4.240 . . 0.248 . . . . 137 ILE HN . 137 ILE N 15740 1 61 DNH . 1 1 134 134 ASN H H 1 . . 1 1 134 134 ASN N N 15 . 0.140 . . 0.182 . . . . 138 ASN HN . 138 ASN N 15740 1 62 DNH . 1 1 136 136 LEU H H 1 . . 1 1 136 136 LEU N N 15 . 7.740 . . 0.181 . . . . 140 LEU HN . 140 LEU N 15740 1 63 DNH . 1 1 137 137 ILE H H 1 . . 1 1 137 137 ILE N N 15 . 2.010 . . 0.146 . . . . 141 ILE HN . 141 ILE N 15740 1 64 DNH . 1 1 138 138 LEU H H 1 . . 1 1 138 138 LEU N N 15 . -1.610 . . 0.161 . . . . 142 LEU HN . 142 LEU N 15740 1 65 DNH . 1 1 139 139 PHE H H 1 . . 1 1 139 139 PHE N N 15 . 5.860 . . 0.142 . . . . 143 PHE HN . 143 PHE N 15740 1 66 DNH . 1 1 140 140 LEU H H 1 . . 1 1 140 140 LEU N N 15 . 6.120 . . 0.226 . . . . 144 LEU HN . 144 LEU N 15740 1 67 DNH . 1 1 141 141 GLU H H 1 . . 1 1 141 141 GLU N N 15 . -0.590 . . 0.123 . . . . 145 GLU HN . 145 GLU N 15740 1 68 DNH . 1 1 142 142 LYS H H 1 . . 1 1 142 142 LYS N N 15 . -4.540 . . 0.123 . . . . 146 LYS HN . 146 LYS N 15740 1 69 DNH . 1 1 143 143 LYS H H 1 . . 1 1 143 143 LYS N N 15 . 5.640 . . 0.149 . . . . 147 LYS HN . 147 LYS N 15740 1 70 DNH . 1 1 144 144 LEU H H 1 . . 1 1 144 144 LEU N N 15 . -0.330 . . 0.143 . . . . 148 LEU HN . 148 LEU N 15740 1 stop_ save_