data_18989 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18989 _Entry.Title ; Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-30 _Entry.Accession_date 2013-01-30 _Entry.Last_release_date 2013-02-11 _Entry.Original_release_date 2013-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunhuang Yang . . . 18989 2 Theresa Ramelot . A. . 18989 3 Dan Lee . . . 18989 4 Colleen Ciccosanti . . . 18989 5 Ari Sapin . . . 18989 6 Haleema Janjua . . . 18989 7 Rajesh Nair . . . 18989 8 Burkhard Rost . . . 18989 9 Thomas Acton . B. . 18989 10 Rong Xiao . . . 18989 11 John Everett . K. . 18989 12 Gaetano Montelione . T. . 18989 13 Michael Kennedy . A. . 18989 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 18989 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18989 'Protein NMR' . 18989 'Protein Structure Initiative' . 18989 PSI-Biology . 18989 'Structural Genomics' . 18989 'Target CgR160' . 18989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 643 18989 '15N chemical shifts' 156 18989 '1H chemical shifts' 1043 18989 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-11 2013-01-30 original author . 18989 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M47 'BMRB Entry Tracking System' 18989 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 18989 1 2 Theresa Ramelot . A. . 18989 1 3 Dan Lee . . . 18989 1 4 Colleen Ciccosanti . . . 18989 1 5 Ari Sapin . . . 18989 1 6 Haleema Janjua . . . 18989 1 7 Rajesh Nair . . . 18989 1 8 Burkhard Rost . . . 18989 1 9 Thomas Acton . B. . 18989 1 10 Rong Xiao . . . 18989 1 11 John Everett . K. . 18989 1 12 Gaetano Montelione . T. . 18989 1 13 Michael Kennedy . A. . 18989 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NESG 18989 1 NMR 18989 1 'Polyketide_cyc-like protein Cgl2372' 18989 1 solution 18989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18989 _Assembly.ID 1 _Assembly.Name CgR160 _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 CgR160 1 $CgR160 A . yes native no no . . . 18989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CgR160 _Entity.Sf_category entity _Entity.Sf_framecode CgR160 _Entity.Entry_ID 18989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CgR160 _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 ; MPKSLTFEDSINIAAPINQV YALVSDITRTGEWSPVCEKC WWDEDEGPVVGAHFTGRNVT PERTWETRSEVIVAEPNRCF GWSVTDGNVKWIYSMEPLEE GTVLTESWEFTPKGQRFFHD KFGDKSIEEIEKRRLAAITG IPETLVAIQRILEVELEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18809.209 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M47 . "Solution Nmr Structure Of The Polyketide_cyc-like Protein Cgl2372 From Corynebacterium Glutamicum, Northeast Structural Genomic" . . . . . 100.00 163 100.00 100.00 5.94e-115 . . . . 18989 1 2 no DBJ BAB99766 . "Hypothetical protein [Corynebacterium glutamicum ATCC 13032]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 3 no DBJ BAF55259 . "hypothetical protein cgR_2255 [Corynebacterium glutamicum R]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 4 no EMBL CAF21038 . "conserved hypothetical protein [Corynebacterium glutamicum ATCC 13032]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 5 no EMBL CCH25510 . "hypothetical protein WA5_2290 [Corynebacterium glutamicum K051]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 6 no GB AGN19875 . "hypothetical protein C624_11520 [Corynebacterium glutamicum SCgG1]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 7 no GB AGN22900 . "hypothetical protein C629_11530 [Corynebacterium glutamicum SCgG2]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 8 no GB AGT06101 . "hypothetical protein cgp_2606 [Corynebacterium glutamicum MB001]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 9 no GB AIK85798 . "polyketide cyclase [Corynebacterium glutamicum]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 10 no GB AIK88583 . "polyketide cyclase [Corynebacterium glutamicum]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 11 no REF NP_601574 . "hypothetical protein NCgl2290 [Corynebacterium glutamicum ATCC 13032]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 12 no REF WP_003859290 . "MULTISPECIES: polyketide cyclase [Corynebacterium]" . . . . . 95.09 155 100.00 100.00 5.28e-108 . . . . 18989 1 13 no REF WP_040967737 . "polyketide cyclase [Corynebacterium glutamicum]" . . . . . 95.09 155 99.35 99.35 2.91e-107 . . . . 18989 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18989 1 2 2 PRO . 18989 1 3 3 LYS . 18989 1 4 4 SER . 18989 1 5 5 LEU . 18989 1 6 6 THR . 18989 1 7 7 PHE . 18989 1 8 8 GLU . 18989 1 9 9 ASP . 18989 1 10 10 SER . 18989 1 11 11 ILE . 18989 1 12 12 ASN . 18989 1 13 13 ILE . 18989 1 14 14 ALA . 18989 1 15 15 ALA . 18989 1 16 16 PRO . 18989 1 17 17 ILE . 18989 1 18 18 ASN . 18989 1 19 19 GLN . 18989 1 20 20 VAL . 18989 1 21 21 TYR . 18989 1 22 22 ALA . 18989 1 23 23 LEU . 18989 1 24 24 VAL . 18989 1 25 25 SER . 18989 1 26 26 ASP . 18989 1 27 27 ILE . 18989 1 28 28 THR . 18989 1 29 29 ARG . 18989 1 30 30 THR . 18989 1 31 31 GLY . 18989 1 32 32 GLU . 18989 1 33 33 TRP . 18989 1 34 34 SER . 18989 1 35 35 PRO . 18989 1 36 36 VAL . 18989 1 37 37 CYS . 18989 1 38 38 GLU . 18989 1 39 39 LYS . 18989 1 40 40 CYS . 18989 1 41 41 TRP . 18989 1 42 42 TRP . 18989 1 43 43 ASP . 18989 1 44 44 GLU . 18989 1 45 45 ASP . 18989 1 46 46 GLU . 18989 1 47 47 GLY . 18989 1 48 48 PRO . 18989 1 49 49 VAL . 18989 1 50 50 VAL . 18989 1 51 51 GLY . 18989 1 52 52 ALA . 18989 1 53 53 HIS . 18989 1 54 54 PHE . 18989 1 55 55 THR . 18989 1 56 56 GLY . 18989 1 57 57 ARG . 18989 1 58 58 ASN . 18989 1 59 59 VAL . 18989 1 60 60 THR . 18989 1 61 61 PRO . 18989 1 62 62 GLU . 18989 1 63 63 ARG . 18989 1 64 64 THR . 18989 1 65 65 TRP . 18989 1 66 66 GLU . 18989 1 67 67 THR . 18989 1 68 68 ARG . 18989 1 69 69 SER . 18989 1 70 70 GLU . 18989 1 71 71 VAL . 18989 1 72 72 ILE . 18989 1 73 73 VAL . 18989 1 74 74 ALA . 18989 1 75 75 GLU . 18989 1 76 76 PRO . 18989 1 77 77 ASN . 18989 1 78 78 ARG . 18989 1 79 79 CYS . 18989 1 80 80 PHE . 18989 1 81 81 GLY . 18989 1 82 82 TRP . 18989 1 83 83 SER . 18989 1 84 84 VAL . 18989 1 85 85 THR . 18989 1 86 86 ASP . 18989 1 87 87 GLY . 18989 1 88 88 ASN . 18989 1 89 89 VAL . 18989 1 90 90 LYS . 18989 1 91 91 TRP . 18989 1 92 92 ILE . 18989 1 93 93 TYR . 18989 1 94 94 SER . 18989 1 95 95 MET . 18989 1 96 96 GLU . 18989 1 97 97 PRO . 18989 1 98 98 LEU . 18989 1 99 99 GLU . 18989 1 100 100 GLU . 18989 1 101 101 GLY . 18989 1 102 102 THR . 18989 1 103 103 VAL . 18989 1 104 104 LEU . 18989 1 105 105 THR . 18989 1 106 106 GLU . 18989 1 107 107 SER . 18989 1 108 108 TRP . 18989 1 109 109 GLU . 18989 1 110 110 PHE . 18989 1 111 111 THR . 18989 1 112 112 PRO . 18989 1 113 113 LYS . 18989 1 114 114 GLY . 18989 1 115 115 GLN . 18989 1 116 116 ARG . 18989 1 117 117 PHE . 18989 1 118 118 PHE . 18989 1 119 119 HIS . 18989 1 120 120 ASP . 18989 1 121 121 LYS . 18989 1 122 122 PHE . 18989 1 123 123 GLY . 18989 1 124 124 ASP . 18989 1 125 125 LYS . 18989 1 126 126 SER . 18989 1 127 127 ILE . 18989 1 128 128 GLU . 18989 1 129 129 GLU . 18989 1 130 130 ILE . 18989 1 131 131 GLU . 18989 1 132 132 LYS . 18989 1 133 133 ARG . 18989 1 134 134 ARG . 18989 1 135 135 LEU . 18989 1 136 136 ALA . 18989 1 137 137 ALA . 18989 1 138 138 ILE . 18989 1 139 139 THR . 18989 1 140 140 GLY . 18989 1 141 141 ILE . 18989 1 142 142 PRO . 18989 1 143 143 GLU . 18989 1 144 144 THR . 18989 1 145 145 LEU . 18989 1 146 146 VAL . 18989 1 147 147 ALA . 18989 1 148 148 ILE . 18989 1 149 149 GLN . 18989 1 150 150 ARG . 18989 1 151 151 ILE . 18989 1 152 152 LEU . 18989 1 153 153 GLU . 18989 1 154 154 VAL . 18989 1 155 155 GLU . 18989 1 156 156 LEU . 18989 1 157 157 GLU . 18989 1 158 158 HIS . 18989 1 159 159 HIS . 18989 1 160 160 HIS . 18989 1 161 161 HIS . 18989 1 162 162 HIS . 18989 1 163 163 HIS . 18989 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18989 1 . PRO 2 2 18989 1 . LYS 3 3 18989 1 . SER 4 4 18989 1 . LEU 5 5 18989 1 . THR 6 6 18989 1 . PHE 7 7 18989 1 . GLU 8 8 18989 1 . ASP 9 9 18989 1 . SER 10 10 18989 1 . ILE 11 11 18989 1 . ASN 12 12 18989 1 . ILE 13 13 18989 1 . ALA 14 14 18989 1 . ALA 15 15 18989 1 . PRO 16 16 18989 1 . ILE 17 17 18989 1 . ASN 18 18 18989 1 . GLN 19 19 18989 1 . VAL 20 20 18989 1 . TYR 21 21 18989 1 . ALA 22 22 18989 1 . LEU 23 23 18989 1 . VAL 24 24 18989 1 . SER 25 25 18989 1 . ASP 26 26 18989 1 . ILE 27 27 18989 1 . THR 28 28 18989 1 . ARG 29 29 18989 1 . THR 30 30 18989 1 . GLY 31 31 18989 1 . GLU 32 32 18989 1 . TRP 33 33 18989 1 . SER 34 34 18989 1 . PRO 35 35 18989 1 . VAL 36 36 18989 1 . CYS 37 37 18989 1 . GLU 38 38 18989 1 . LYS 39 39 18989 1 . CYS 40 40 18989 1 . TRP 41 41 18989 1 . TRP 42 42 18989 1 . ASP 43 43 18989 1 . GLU 44 44 18989 1 . ASP 45 45 18989 1 . GLU 46 46 18989 1 . GLY 47 47 18989 1 . PRO 48 48 18989 1 . VAL 49 49 18989 1 . VAL 50 50 18989 1 . GLY 51 51 18989 1 . ALA 52 52 18989 1 . HIS 53 53 18989 1 . PHE 54 54 18989 1 . THR 55 55 18989 1 . GLY 56 56 18989 1 . ARG 57 57 18989 1 . ASN 58 58 18989 1 . VAL 59 59 18989 1 . THR 60 60 18989 1 . PRO 61 61 18989 1 . GLU 62 62 18989 1 . ARG 63 63 18989 1 . THR 64 64 18989 1 . TRP 65 65 18989 1 . GLU 66 66 18989 1 . THR 67 67 18989 1 . ARG 68 68 18989 1 . SER 69 69 18989 1 . GLU 70 70 18989 1 . VAL 71 71 18989 1 . ILE 72 72 18989 1 . VAL 73 73 18989 1 . ALA 74 74 18989 1 . GLU 75 75 18989 1 . PRO 76 76 18989 1 . ASN 77 77 18989 1 . ARG 78 78 18989 1 . CYS 79 79 18989 1 . PHE 80 80 18989 1 . GLY 81 81 18989 1 . TRP 82 82 18989 1 . SER 83 83 18989 1 . VAL 84 84 18989 1 . THR 85 85 18989 1 . ASP 86 86 18989 1 . GLY 87 87 18989 1 . ASN 88 88 18989 1 . VAL 89 89 18989 1 . LYS 90 90 18989 1 . TRP 91 91 18989 1 . ILE 92 92 18989 1 . TYR 93 93 18989 1 . SER 94 94 18989 1 . MET 95 95 18989 1 . GLU 96 96 18989 1 . PRO 97 97 18989 1 . LEU 98 98 18989 1 . GLU 99 99 18989 1 . GLU 100 100 18989 1 . GLY 101 101 18989 1 . THR 102 102 18989 1 . VAL 103 103 18989 1 . LEU 104 104 18989 1 . THR 105 105 18989 1 . GLU 106 106 18989 1 . SER 107 107 18989 1 . TRP 108 108 18989 1 . GLU 109 109 18989 1 . PHE 110 110 18989 1 . THR 111 111 18989 1 . PRO 112 112 18989 1 . LYS 113 113 18989 1 . GLY 114 114 18989 1 . GLN 115 115 18989 1 . ARG 116 116 18989 1 . PHE 117 117 18989 1 . PHE 118 118 18989 1 . HIS 119 119 18989 1 . ASP 120 120 18989 1 . LYS 121 121 18989 1 . PHE 122 122 18989 1 . GLY 123 123 18989 1 . ASP 124 124 18989 1 . LYS 125 125 18989 1 . SER 126 126 18989 1 . ILE 127 127 18989 1 . GLU 128 128 18989 1 . GLU 129 129 18989 1 . ILE 130 130 18989 1 . GLU 131 131 18989 1 . LYS 132 132 18989 1 . ARG 133 133 18989 1 . ARG 134 134 18989 1 . LEU 135 135 18989 1 . ALA 136 136 18989 1 . ALA 137 137 18989 1 . ILE 138 138 18989 1 . THR 139 139 18989 1 . GLY 140 140 18989 1 . ILE 141 141 18989 1 . PRO 142 142 18989 1 . GLU 143 143 18989 1 . THR 144 144 18989 1 . LEU 145 145 18989 1 . VAL 146 146 18989 1 . ALA 147 147 18989 1 . ILE 148 148 18989 1 . GLN 149 149 18989 1 . ARG 150 150 18989 1 . ILE 151 151 18989 1 . LEU 152 152 18989 1 . GLU 153 153 18989 1 . VAL 154 154 18989 1 . GLU 155 155 18989 1 . LEU 156 156 18989 1 . GLU 157 157 18989 1 . HIS 158 158 18989 1 . HIS 159 159 18989 1 . HIS 160 160 18989 1 . HIS 161 161 18989 1 . HIS 162 162 18989 1 . HIS 163 163 18989 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 18989 _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 $CgR160 . 1718 organism . 'Corynebacterium glutamicum' 'High GC Gram+' . . Bacteria . Corynebacterium glutamicum . . . . . . . . . . . . . . . . 'cg2606, Cgl2373' . . . . 18989 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 18989 _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 $CgR160 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . CgR160-21.8 . . . . . . 18989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18989 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.76 mM CgR160.003, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CgR160.003 '[U-100% 13C; U-100% 15N]' . . 1 $CgR160 . . 0.76 . . mM . . . . 18989 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18989 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18989 1 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18989 1 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18989 1 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18989 1 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18989 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18989 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18989 1 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18989 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18989 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.83 mM CgR160.005, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CgR160.0035 '[U-5% 13C; U-100% 15N]' . . 1 $CgR160 . . 0.83 . . mM . . . . 18989 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18989 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18989 2 4 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18989 2 5 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18989 2 6 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18989 2 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18989 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18989 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18989 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18989 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18989 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18989 1 pressure 1 . atm 18989 1 temperature 298 . K 18989 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18989 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18989 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18989 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18989 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18989 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18989 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18989 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18989 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18989 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18989 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18989 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18989 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18989 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18989 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18989 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18989 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18989 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18989 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18989 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18989 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18989 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18989 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18989 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18989 _Software.ID 9 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18989 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18989 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18989 _Software.ID 10 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18989 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18989 10 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18989 _Software.ID 11 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18989 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18989 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18989 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18989 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18989 12 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 18989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18989 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18989 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 18989 1 2 spectrometer_2 Varian INOVA . 600 . . . 18989 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 18989 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18989 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18989 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18989 1 14 '4D CC-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18989 1 15 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 16 '2D 1H-15N HSQC-Histidine' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 17 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 18 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 19 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18989 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18989 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18989 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18989 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18989 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18989 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 PRO HA H 1 4.40 0.02 . 1 . . . A 2 PRO HA . 18989 1 2 . 1 1 2 2 PRO HB2 H 1 2.45 0.02 . 2 . . . A 2 PRO HB2 . 18989 1 3 . 1 1 2 2 PRO HB3 H 1 1.97 0.02 . 2 . . . A 2 PRO HB3 . 18989 1 4 . 1 1 2 2 PRO HG2 H 1 2.03 0.02 . 2 . . . A 2 PRO HG2 . 18989 1 5 . 1 1 2 2 PRO HG3 H 1 1.94 0.02 . 2 . . . A 2 PRO HG3 . 18989 1 6 . 1 1 2 2 PRO HD2 H 1 3.37 0.02 . 2 . . . A 2 PRO HD2 . 18989 1 7 . 1 1 2 2 PRO HD3 H 1 3.37 0.02 . 2 . . . A 2 PRO HD3 . 18989 1 8 . 1 1 2 2 PRO CA C 13 62.4 0.2 . 1 . . . A 2 PRO CA . 18989 1 9 . 1 1 2 2 PRO CB C 13 32.8 0.2 . 1 . . . A 2 PRO CB . 18989 1 10 . 1 1 2 2 PRO CG C 13 26.7 0.2 . 1 . . . A 2 PRO CG . 18989 1 11 . 1 1 2 2 PRO CD C 13 49.5 0.2 . 1 . . . A 2 PRO CD . 18989 1 12 . 1 1 3 3 LYS HA H 1 4.48 0.02 . 1 . . . A 3 LYS HA . 18989 1 13 . 1 1 3 3 LYS HB2 H 1 1.88 0.02 . 2 . . . A 3 LYS HB2 . 18989 1 14 . 1 1 3 3 LYS HB3 H 1 1.78 0.02 . 2 . . . A 3 LYS HB3 . 18989 1 15 . 1 1 3 3 LYS HG2 H 1 1.46 0.02 . 2 . . . A 3 LYS HG2 . 18989 1 16 . 1 1 3 3 LYS HG3 H 1 1.46 0.02 . 2 . . . A 3 LYS HG3 . 18989 1 17 . 1 1 3 3 LYS HD2 H 1 1.69 0.02 . 2 . . . A 3 LYS HD2 . 18989 1 18 . 1 1 3 3 LYS HD3 H 1 1.69 0.02 . 2 . . . A 3 LYS HD3 . 18989 1 19 . 1 1 3 3 LYS HE2 H 1 3 0.02 . 2 . . . A 3 LYS HE2 . 18989 1 20 . 1 1 3 3 LYS HE3 H 1 3 0.02 . 2 . . . A 3 LYS HE3 . 18989 1 21 . 1 1 3 3 LYS C C 13 176.6 0.2 . 1 . . . A 3 LYS C . 18989 1 22 . 1 1 3 3 LYS CA C 13 55.9 0.2 . 1 . . . A 3 LYS CA . 18989 1 23 . 1 1 3 3 LYS CB C 13 34.2 0.2 . 1 . . . A 3 LYS CB . 18989 1 24 . 1 1 3 3 LYS CG C 13 24.6 0.2 . 1 . . . A 3 LYS CG . 18989 1 25 . 1 1 3 3 LYS CD C 13 29.2 0.2 . 1 . . . A 3 LYS CD . 18989 1 26 . 1 1 3 3 LYS CE C 13 42 0.2 . 1 . . . A 3 LYS CE . 18989 1 27 . 1 1 4 4 SER H H 1 8.72 0.02 . 1 . . . A 4 SER H . 18989 1 28 . 1 1 4 4 SER HA H 1 4.22 0.02 . 1 . . . A 4 SER HA . 18989 1 29 . 1 1 4 4 SER HB2 H 1 3.6 0.02 . 2 . . . A 4 SER HB2 . 18989 1 30 . 1 1 4 4 SER HB3 H 1 3.57 0.02 . 2 . . . A 4 SER HB3 . 18989 1 31 . 1 1 4 4 SER C C 13 174.1 0.2 . 1 . . . A 4 SER C . 18989 1 32 . 1 1 4 4 SER CA C 13 59.7 0.2 . 1 . . . A 4 SER CA . 18989 1 33 . 1 1 4 4 SER CB C 13 63.7 0.2 . 1 . . . A 4 SER CB . 18989 1 34 . 1 1 4 4 SER N N 15 117.8 0.2 . 1 . . . A 4 SER N . 18989 1 35 . 1 1 5 5 LEU H H 1 8.06 0.02 . 1 . . . A 5 LEU H . 18989 1 36 . 1 1 5 5 LEU HA H 1 4.8 0.02 . 1 . . . A 5 LEU HA . 18989 1 37 . 1 1 5 5 LEU HB2 H 1 1.77 0.02 . 2 . . . A 5 LEU HB2 . 18989 1 38 . 1 1 5 5 LEU HB3 H 1 1.68 0.02 . 2 . . . A 5 LEU HB3 . 18989 1 39 . 1 1 5 5 LEU HG H 1 1.7 0.02 . 1 . . . A 5 LEU HG . 18989 1 40 . 1 1 5 5 LEU HD11 H 1 0.87 0.02 . 2 . . . A 5 LEU HD11 . 18989 1 41 . 1 1 5 5 LEU HD12 H 1 0.87 0.02 . 2 . . . A 5 LEU HD12 . 18989 1 42 . 1 1 5 5 LEU HD13 H 1 0.87 0.02 . 2 . . . A 5 LEU HD13 . 18989 1 43 . 1 1 5 5 LEU HD21 H 1 0.94 0.02 . 2 . . . A 5 LEU HD21 . 18989 1 44 . 1 1 5 5 LEU HD22 H 1 0.94 0.02 . 2 . . . A 5 LEU HD22 . 18989 1 45 . 1 1 5 5 LEU HD23 H 1 0.94 0.02 . 2 . . . A 5 LEU HD23 . 18989 1 46 . 1 1 5 5 LEU C C 13 175.5 0.2 . 1 . . . A 5 LEU C . 18989 1 47 . 1 1 5 5 LEU CA C 13 54 0.2 . 1 . . . A 5 LEU CA . 18989 1 48 . 1 1 5 5 LEU CB C 13 43.2 0.2 . 1 . . . A 5 LEU CB . 18989 1 49 . 1 1 5 5 LEU CG C 13 27.1 0.2 . 1 . . . A 5 LEU CG . 18989 1 50 . 1 1 5 5 LEU CD1 C 13 25.9 0.2 . 2 . . . A 5 LEU CD1 . 18989 1 51 . 1 1 5 5 LEU CD2 C 13 23.6 0.2 . 2 . . . A 5 LEU CD2 . 18989 1 52 . 1 1 5 5 LEU N N 15 124.7 0.2 . 1 . . . A 5 LEU N . 18989 1 53 . 1 1 6 6 THR H H 1 8.29 0.02 . 1 . . . A 6 THR H . 18989 1 54 . 1 1 6 6 THR HA H 1 5.62 0.02 . 1 . . . A 6 THR HA . 18989 1 55 . 1 1 6 6 THR HB H 1 4.27 0.02 . 1 . . . A 6 THR HB . 18989 1 56 . 1 1 6 6 THR HG21 H 1 0.95 0.02 . 1 . . . A 6 THR HG21 . 18989 1 57 . 1 1 6 6 THR HG22 H 1 0.95 0.02 . 1 . . . A 6 THR HG22 . 18989 1 58 . 1 1 6 6 THR HG23 H 1 0.95 0.02 . 1 . . . A 6 THR HG23 . 18989 1 59 . 1 1 6 6 THR C C 13 174.5 0.2 . 1 . . . A 6 THR C . 18989 1 60 . 1 1 6 6 THR CA C 13 59.7 0.2 . 1 . . . A 6 THR CA . 18989 1 61 . 1 1 6 6 THR CB C 13 73 0.2 . 1 . . . A 6 THR CB . 18989 1 62 . 1 1 6 6 THR CG2 C 13 21.5 0.2 . 1 . . . A 6 THR CG2 . 18989 1 63 . 1 1 6 6 THR N N 15 111.2 0.2 . 1 . . . A 6 THR N . 18989 1 64 . 1 1 7 7 PHE H H 1 8.75 0.02 . 1 . . . A 7 PHE H . 18989 1 65 . 1 1 7 7 PHE HA H 1 4.75 0.02 . 1 . . . A 7 PHE HA . 18989 1 66 . 1 1 7 7 PHE HB2 H 1 3.53 0.02 . 2 . . . A 7 PHE HB2 . 18989 1 67 . 1 1 7 7 PHE HB3 H 1 2.59 0.02 . 2 . . . A 7 PHE HB3 . 18989 1 68 . 1 1 7 7 PHE HD1 H 1 7.23 0.02 . 3 . . . A 7 PHE HD1 . 18989 1 69 . 1 1 7 7 PHE HD2 H 1 7.23 0.02 . 3 . . . A 7 PHE HD2 . 18989 1 70 . 1 1 7 7 PHE C C 13 172.1 0.2 . 1 . . . A 7 PHE C . 18989 1 71 . 1 1 7 7 PHE CA C 13 59.3 0.2 . 1 . . . A 7 PHE CA . 18989 1 72 . 1 1 7 7 PHE CB C 13 43.5 0.2 . 1 . . . A 7 PHE CB . 18989 1 73 . 1 1 7 7 PHE N N 15 120.7 0.2 . 1 . . . A 7 PHE N . 18989 1 74 . 1 1 8 8 GLU H H 1 6.78 0.02 . 1 . . . A 8 GLU H . 18989 1 75 . 1 1 8 8 GLU HA H 1 5.38 0.02 . 1 . . . A 8 GLU HA . 18989 1 76 . 1 1 8 8 GLU HB2 H 1 1.92 0.02 . 2 . . . A 8 GLU HB2 . 18989 1 77 . 1 1 8 8 GLU HB3 H 1 1.71 0.02 . 2 . . . A 8 GLU HB3 . 18989 1 78 . 1 1 8 8 GLU HG2 H 1 1.94 0.02 . 2 . . . A 8 GLU HG2 . 18989 1 79 . 1 1 8 8 GLU HG3 H 1 1.81 0.02 . 2 . . . A 8 GLU HG3 . 18989 1 80 . 1 1 8 8 GLU C C 13 172.5 0.2 . 1 . . . A 8 GLU C . 18989 1 81 . 1 1 8 8 GLU CA C 13 54.5 0.2 . 1 . . . A 8 GLU CA . 18989 1 82 . 1 1 8 8 GLU CB C 13 33.5 0.2 . 1 . . . A 8 GLU CB . 18989 1 83 . 1 1 8 8 GLU CG C 13 34.9 0.2 . 1 . . . A 8 GLU CG . 18989 1 84 . 1 1 8 8 GLU N N 15 122.1 0.2 . 1 . . . A 8 GLU N . 18989 1 85 . 1 1 9 9 ASP H H 1 8.3 0.02 . 1 . . . A 9 ASP H . 18989 1 86 . 1 1 9 9 ASP HA H 1 4.82 0.02 . 1 . . . A 9 ASP HA . 18989 1 87 . 1 1 9 9 ASP HB2 H 1 2.67 0.02 . 2 . . . A 9 ASP HB2 . 18989 1 88 . 1 1 9 9 ASP HB3 H 1 2.49 0.02 . 2 . . . A 9 ASP HB3 . 18989 1 89 . 1 1 9 9 ASP C C 13 173.5 0.2 . 1 . . . A 9 ASP C . 18989 1 90 . 1 1 9 9 ASP CA C 13 53.1 0.2 . 1 . . . A 9 ASP CA . 18989 1 91 . 1 1 9 9 ASP CB C 13 45.1 0.2 . 1 . . . A 9 ASP CB . 18989 1 92 . 1 1 9 9 ASP N N 15 117.4 0.2 . 1 . . . A 9 ASP N . 18989 1 93 . 1 1 10 10 SER H H 1 8.57 0.02 . 1 . . . A 10 SER H . 18989 1 94 . 1 1 10 10 SER HA H 1 5.99 0.02 . 1 . . . A 10 SER HA . 18989 1 95 . 1 1 10 10 SER HB2 H 1 3.71 0.02 . 2 . . . A 10 SER HB2 . 18989 1 96 . 1 1 10 10 SER HB3 H 1 3.47 0.02 . 2 . . . A 10 SER HB3 . 18989 1 97 . 1 1 10 10 SER C C 13 172.6 0.2 . 1 . . . A 10 SER C . 18989 1 98 . 1 1 10 10 SER CA C 13 57.3 0.2 . 1 . . . A 10 SER CA . 18989 1 99 . 1 1 10 10 SER CB C 13 68.1 0.2 . 1 . . . A 10 SER CB . 18989 1 100 . 1 1 10 10 SER N N 15 113.6 0.2 . 1 . . . A 10 SER N . 18989 1 101 . 1 1 11 11 ILE H H 1 9.36 0.02 . 1 . . . A 11 ILE H . 18989 1 102 . 1 1 11 11 ILE HA H 1 4.52 0.02 . 1 . . . A 11 ILE HA . 18989 1 103 . 1 1 11 11 ILE HB H 1 1.61 0.02 . 1 . . . A 11 ILE HB . 18989 1 104 . 1 1 11 11 ILE HG12 H 1 1.71 0.02 . 2 . . . A 11 ILE HG12 . 18989 1 105 . 1 1 11 11 ILE HG13 H 1 1.22 0.02 . 2 . . . A 11 ILE HG13 . 18989 1 106 . 1 1 11 11 ILE HG21 H 1 0.9 0.02 . 1 . . . A 11 ILE HG21 . 18989 1 107 . 1 1 11 11 ILE HG22 H 1 0.9 0.02 . 1 . . . A 11 ILE HG22 . 18989 1 108 . 1 1 11 11 ILE HG23 H 1 0.9 0.02 . 1 . . . A 11 ILE HG23 . 18989 1 109 . 1 1 11 11 ILE HD11 H 1 0.82 0.02 . 1 . . . A 11 ILE HD11 . 18989 1 110 . 1 1 11 11 ILE HD12 H 1 0.82 0.02 . 1 . . . A 11 ILE HD12 . 18989 1 111 . 1 1 11 11 ILE HD13 H 1 0.82 0.02 . 1 . . . A 11 ILE HD13 . 18989 1 112 . 1 1 11 11 ILE C C 13 171.3 0.2 . 1 . . . A 11 ILE C . 18989 1 113 . 1 1 11 11 ILE CA C 13 61 0.2 . 1 . . . A 11 ILE CA . 18989 1 114 . 1 1 11 11 ILE CB C 13 43.4 0.2 . 1 . . . A 11 ILE CB . 18989 1 115 . 1 1 11 11 ILE CG1 C 13 30.2 0.2 . 1 . . . A 11 ILE CG1 . 18989 1 116 . 1 1 11 11 ILE CG2 C 13 17.2 0.2 . 1 . . . A 11 ILE CG2 . 18989 1 117 . 1 1 11 11 ILE CD1 C 13 15.2 0.2 . 1 . . . A 11 ILE CD1 . 18989 1 118 . 1 1 11 11 ILE N N 15 122.7 0.2 . 1 . . . A 11 ILE N . 18989 1 119 . 1 1 12 12 ASN H H 1 8.19 0.02 . 1 . . . A 12 ASN H . 18989 1 120 . 1 1 12 12 ASN HA H 1 5.28 0.02 . 1 . . . A 12 ASN HA . 18989 1 121 . 1 1 12 12 ASN HB2 H 1 2.71 0.02 . 2 . . . A 12 ASN HB2 . 18989 1 122 . 1 1 12 12 ASN HB3 H 1 2.66 0.02 . 2 . . . A 12 ASN HB3 . 18989 1 123 . 1 1 12 12 ASN HD21 H 1 7.29 0.02 . 2 . . . A 12 ASN HD21 . 18989 1 124 . 1 1 12 12 ASN HD22 H 1 6.55 0.02 . 2 . . . A 12 ASN HD22 . 18989 1 125 . 1 1 12 12 ASN C C 13 174.7 0.2 . 1 . . . A 12 ASN C . 18989 1 126 . 1 1 12 12 ASN CA C 13 52.3 0.2 . 1 . . . A 12 ASN CA . 18989 1 127 . 1 1 12 12 ASN CB C 13 38.6 0.2 . 1 . . . A 12 ASN CB . 18989 1 128 . 1 1 12 12 ASN N N 15 124.6 0.2 . 1 . . . A 12 ASN N . 18989 1 129 . 1 1 12 12 ASN ND2 N 15 109.6 0.2 . 1 . . . A 12 ASN ND2 . 18989 1 130 . 1 1 13 13 ILE H H 1 9.53 0.02 . 1 . . . A 13 ILE H . 18989 1 131 . 1 1 13 13 ILE HA H 1 4.45 0.02 . 1 . . . A 13 ILE HA . 18989 1 132 . 1 1 13 13 ILE HB H 1 1.6 0.02 . 1 . . . A 13 ILE HB . 18989 1 133 . 1 1 13 13 ILE HG12 H 1 1.75 0.02 . 2 . . . A 13 ILE HG12 . 18989 1 134 . 1 1 13 13 ILE HG13 H 1 0.66 0.02 . 2 . . . A 13 ILE HG13 . 18989 1 135 . 1 1 13 13 ILE HG21 H 1 0.95 0.02 . 1 . . . A 13 ILE HG21 . 18989 1 136 . 1 1 13 13 ILE HG22 H 1 0.95 0.02 . 1 . . . A 13 ILE HG22 . 18989 1 137 . 1 1 13 13 ILE HG23 H 1 0.95 0.02 . 1 . . . A 13 ILE HG23 . 18989 1 138 . 1 1 13 13 ILE HD11 H 1 0.69 0.02 . 1 . . . A 13 ILE HD11 . 18989 1 139 . 1 1 13 13 ILE HD12 H 1 0.69 0.02 . 1 . . . A 13 ILE HD12 . 18989 1 140 . 1 1 13 13 ILE HD13 H 1 0.69 0.02 . 1 . . . A 13 ILE HD13 . 18989 1 141 . 1 1 13 13 ILE C C 13 175.3 0.2 . 1 . . . A 13 ILE C . 18989 1 142 . 1 1 13 13 ILE CA C 13 60.3 0.2 . 1 . . . A 13 ILE CA . 18989 1 143 . 1 1 13 13 ILE CB C 13 41.6 0.2 . 1 . . . A 13 ILE CB . 18989 1 144 . 1 1 13 13 ILE CG1 C 13 28.4 0.2 . 1 . . . A 13 ILE CG1 . 18989 1 145 . 1 1 13 13 ILE CG2 C 13 19 0.2 . 1 . . . A 13 ILE CG2 . 18989 1 146 . 1 1 13 13 ILE CD1 C 13 15.3 0.2 . 1 . . . A 13 ILE CD1 . 18989 1 147 . 1 1 13 13 ILE N N 15 122.9 0.2 . 1 . . . A 13 ILE N . 18989 1 148 . 1 1 14 14 ALA H H 1 10.35 0.02 . 1 . . . A 14 ALA H . 18989 1 149 . 1 1 14 14 ALA HA H 1 4.7 0.02 . 1 . . . A 14 ALA HA . 18989 1 150 . 1 1 14 14 ALA HB1 H 1 1.26 0.02 . 1 . . . A 14 ALA HB1 . 18989 1 151 . 1 1 14 14 ALA HB2 H 1 1.26 0.02 . 1 . . . A 14 ALA HB2 . 18989 1 152 . 1 1 14 14 ALA HB3 H 1 1.26 0.02 . 1 . . . A 14 ALA HB3 . 18989 1 153 . 1 1 14 14 ALA C C 13 175.1 0.2 . 1 . . . A 14 ALA C . 18989 1 154 . 1 1 14 14 ALA CA C 13 51 0.2 . 1 . . . A 14 ALA CA . 18989 1 155 . 1 1 14 14 ALA CB C 13 16.3 0.2 . 1 . . . A 14 ALA CB . 18989 1 156 . 1 1 14 14 ALA N N 15 136.6 0.2 . 1 . . . A 14 ALA N . 18989 1 157 . 1 1 15 15 ALA H H 1 8.18 0.02 . 1 . . . A 15 ALA H . 18989 1 158 . 1 1 15 15 ALA HA H 1 4.76 0.02 . 1 . . . A 15 ALA HA . 18989 1 159 . 1 1 15 15 ALA HB1 H 1 1.11 0.02 . 1 . . . A 15 ALA HB1 . 18989 1 160 . 1 1 15 15 ALA HB2 H 1 1.11 0.02 . 1 . . . A 15 ALA HB2 . 18989 1 161 . 1 1 15 15 ALA HB3 H 1 1.11 0.02 . 1 . . . A 15 ALA HB3 . 18989 1 162 . 1 1 15 15 ALA CA C 13 50 0.2 . 1 . . . A 15 ALA CA . 18989 1 163 . 1 1 15 15 ALA CB C 13 21.1 0.2 . 1 . . . A 15 ALA CB . 18989 1 164 . 1 1 15 15 ALA N N 15 122.1 0.2 . 1 . . . A 15 ALA N . 18989 1 165 . 1 1 16 16 PRO HA H 1 4.61 0.02 . 1 . . . A 16 PRO HA . 18989 1 166 . 1 1 16 16 PRO HB2 H 1 2.47 0.02 . 2 . . . A 16 PRO HB2 . 18989 1 167 . 1 1 16 16 PRO HB3 H 1 2.1 0.02 . 2 . . . A 16 PRO HB3 . 18989 1 168 . 1 1 16 16 PRO HG2 H 1 2.09 0.02 . 2 . . . A 16 PRO HG2 . 18989 1 169 . 1 1 16 16 PRO HG3 H 1 2.03 0.02 . 2 . . . A 16 PRO HG3 . 18989 1 170 . 1 1 16 16 PRO HD2 H 1 3.83 0.02 . 2 . . . A 16 PRO HD2 . 18989 1 171 . 1 1 16 16 PRO HD3 H 1 3.53 0.02 . 2 . . . A 16 PRO HD3 . 18989 1 172 . 1 1 16 16 PRO C C 13 179.2 0.2 . 1 . . . A 16 PRO C . 18989 1 173 . 1 1 16 16 PRO CA C 13 62.1 0.2 . 1 . . . A 16 PRO CA . 18989 1 174 . 1 1 16 16 PRO CB C 13 33.1 0.2 . 1 . . . A 16 PRO CB . 18989 1 175 . 1 1 16 16 PRO CG C 13 28.1 0.2 . 1 . . . A 16 PRO CG . 18989 1 176 . 1 1 16 16 PRO CD C 13 50.9 0.2 . 1 . . . A 16 PRO CD . 18989 1 177 . 1 1 17 17 ILE H H 1 8.65 0.02 . 1 . . . A 17 ILE H . 18989 1 178 . 1 1 17 17 ILE HA H 1 3.99 0.02 . 1 . . . A 17 ILE HA . 18989 1 179 . 1 1 17 17 ILE HB H 1 1.78 0.02 . 1 . . . A 17 ILE HB . 18989 1 180 . 1 1 17 17 ILE HG12 H 1 1.35 0.02 . 2 . . . A 17 ILE HG12 . 18989 1 181 . 1 1 17 17 ILE HG13 H 1 0.99 0.02 . 2 . . . A 17 ILE HG13 . 18989 1 182 . 1 1 17 17 ILE HG21 H 1 1 0.02 . 1 . . . A 17 ILE HG21 . 18989 1 183 . 1 1 17 17 ILE HG22 H 1 1 0.02 . 1 . . . A 17 ILE HG22 . 18989 1 184 . 1 1 17 17 ILE HG23 H 1 1 0.02 . 1 . . . A 17 ILE HG23 . 18989 1 185 . 1 1 17 17 ILE HD11 H 1 0.8 0.02 . 1 . . . A 17 ILE HD11 . 18989 1 186 . 1 1 17 17 ILE HD12 H 1 0.8 0.02 . 1 . . . A 17 ILE HD12 . 18989 1 187 . 1 1 17 17 ILE HD13 H 1 0.8 0.02 . 1 . . . A 17 ILE HD13 . 18989 1 188 . 1 1 17 17 ILE C C 13 175.8 0.2 . 1 . . . A 17 ILE C . 18989 1 189 . 1 1 17 17 ILE CA C 13 65.7 0.2 . 1 . . . A 17 ILE CA . 18989 1 190 . 1 1 17 17 ILE CB C 13 38.7 0.2 . 1 . . . A 17 ILE CB . 18989 1 191 . 1 1 17 17 ILE CG1 C 13 29 0.2 . 1 . . . A 17 ILE CG1 . 18989 1 192 . 1 1 17 17 ILE CG2 C 13 16.2 0.2 . 1 . . . A 17 ILE CG2 . 18989 1 193 . 1 1 17 17 ILE CD1 C 13 15.6 0.2 . 1 . . . A 17 ILE CD1 . 18989 1 194 . 1 1 17 17 ILE N N 15 124.4 0.2 . 1 . . . A 17 ILE N . 18989 1 195 . 1 1 18 18 ASN H H 1 8.3 0.02 . 1 . . . A 18 ASN H . 18989 1 196 . 1 1 18 18 ASN HA H 1 4.69 0.02 . 1 . . . A 18 ASN HA . 18989 1 197 . 1 1 18 18 ASN HB2 H 1 2.82 0.02 . 2 . . . A 18 ASN HB2 . 18989 1 198 . 1 1 18 18 ASN HB3 H 1 2.73 0.02 . 2 . . . A 18 ASN HB3 . 18989 1 199 . 1 1 18 18 ASN HD21 H 1 7.8 0.02 . 2 . . . A 18 ASN HD21 . 18989 1 200 . 1 1 18 18 ASN HD22 H 1 7.04 0.02 . 2 . . . A 18 ASN HD22 . 18989 1 201 . 1 1 18 18 ASN C C 13 178.7 0.2 . 1 . . . A 18 ASN C . 18989 1 202 . 1 1 18 18 ASN CA C 13 55.8 0.2 . 1 . . . A 18 ASN CA . 18989 1 203 . 1 1 18 18 ASN CB C 13 37.1 0.2 . 1 . . . A 18 ASN CB . 18989 1 204 . 1 1 18 18 ASN N N 15 117.2 0.2 . 1 . . . A 18 ASN N . 18989 1 205 . 1 1 18 18 ASN ND2 N 15 114.3 0.2 . 1 . . . A 18 ASN ND2 . 18989 1 206 . 1 1 19 19 GLN H H 1 7.48 0.02 . 1 . . . A 19 GLN H . 18989 1 207 . 1 1 19 19 GLN HA H 1 4.12 0.02 . 1 . . . A 19 GLN HA . 18989 1 208 . 1 1 19 19 GLN HB2 H 1 2.07 0.02 . 2 . . . A 19 GLN HB2 . 18989 1 209 . 1 1 19 19 GLN HB3 H 1 2.01 0.02 . 2 . . . A 19 GLN HB3 . 18989 1 210 . 1 1 19 19 GLN HG2 H 1 2.41 0.02 . 2 . . . A 19 GLN HG2 . 18989 1 211 . 1 1 19 19 GLN HG3 H 1 2.33 0.02 . 2 . . . A 19 GLN HG3 . 18989 1 212 . 1 1 19 19 GLN HE21 H 1 7.55 0.02 . 2 . . . A 19 GLN HE21 . 18989 1 213 . 1 1 19 19 GLN HE22 H 1 6.65 0.02 . 2 . . . A 19 GLN HE22 . 18989 1 214 . 1 1 19 19 GLN C C 13 178.5 0.2 . 1 . . . A 19 GLN C . 18989 1 215 . 1 1 19 19 GLN CA C 13 58.3 0.2 . 1 . . . A 19 GLN CA . 18989 1 216 . 1 1 19 19 GLN CB C 13 28.3 0.2 . 1 . . . A 19 GLN CB . 18989 1 217 . 1 1 19 19 GLN CG C 13 34 0.2 . 1 . . . A 19 GLN CG . 18989 1 218 . 1 1 19 19 GLN N N 15 120.3 0.2 . 1 . . . A 19 GLN N . 18989 1 219 . 1 1 19 19 GLN NE2 N 15 110.3 0.2 . 1 . . . A 19 GLN NE2 . 18989 1 220 . 1 1 20 20 VAL H H 1 7.41 0.02 . 1 . . . A 20 VAL H . 18989 1 221 . 1 1 20 20 VAL HA H 1 3.45 0.02 . 1 . . . A 20 VAL HA . 18989 1 222 . 1 1 20 20 VAL HB H 1 2.29 0.02 . 1 . . . A 20 VAL HB . 18989 1 223 . 1 1 20 20 VAL HG11 H 1 0.75 0.02 . 2 . . . A 20 VAL HG11 . 18989 1 224 . 1 1 20 20 VAL HG12 H 1 0.75 0.02 . 2 . . . A 20 VAL HG12 . 18989 1 225 . 1 1 20 20 VAL HG13 H 1 0.75 0.02 . 2 . . . A 20 VAL HG13 . 18989 1 226 . 1 1 20 20 VAL HG21 H 1 0.81 0.02 . 2 . . . A 20 VAL HG21 . 18989 1 227 . 1 1 20 20 VAL HG22 H 1 0.81 0.02 . 2 . . . A 20 VAL HG22 . 18989 1 228 . 1 1 20 20 VAL HG23 H 1 0.81 0.02 . 2 . . . A 20 VAL HG23 . 18989 1 229 . 1 1 20 20 VAL C C 13 177.5 0.2 . 1 . . . A 20 VAL C . 18989 1 230 . 1 1 20 20 VAL CA C 13 66.2 0.2 . 1 . . . A 20 VAL CA . 18989 1 231 . 1 1 20 20 VAL CB C 13 30.9 0.2 . 1 . . . A 20 VAL CB . 18989 1 232 . 1 1 20 20 VAL CG1 C 13 23.5 0.2 . 2 . . . A 20 VAL CG1 . 18989 1 233 . 1 1 20 20 VAL CG2 C 13 21.8 0.2 . 2 . . . A 20 VAL CG2 . 18989 1 234 . 1 1 20 20 VAL N N 15 120.3 0.2 . 1 . . . A 20 VAL N . 18989 1 235 . 1 1 21 21 TYR H H 1 8.48 0.02 . 1 . . . A 21 TYR H . 18989 1 236 . 1 1 21 21 TYR HA H 1 3.58 0.02 . 1 . . . A 21 TYR HA . 18989 1 237 . 1 1 21 21 TYR HB2 H 1 3.28 0.02 . 2 . . . A 21 TYR HB2 . 18989 1 238 . 1 1 21 21 TYR HB3 H 1 3.02 0.02 . 2 . . . A 21 TYR HB3 . 18989 1 239 . 1 1 21 21 TYR HD1 H 1 7.02 0.02 . 3 . . . A 21 TYR HD1 . 18989 1 240 . 1 1 21 21 TYR HD2 H 1 7.02 0.02 . 3 . . . A 21 TYR HD2 . 18989 1 241 . 1 1 21 21 TYR C C 13 177.8 0.2 . 1 . . . A 21 TYR C . 18989 1 242 . 1 1 21 21 TYR CA C 13 62.9 0.2 . 1 . . . A 21 TYR CA . 18989 1 243 . 1 1 21 21 TYR CB C 13 38.4 0.2 . 1 . . . A 21 TYR CB . 18989 1 244 . 1 1 21 21 TYR N N 15 118.8 0.2 . 1 . . . A 21 TYR N . 18989 1 245 . 1 1 22 22 ALA H H 1 7.93 0.02 . 1 . . . A 22 ALA H . 18989 1 246 . 1 1 22 22 ALA HA H 1 3.76 0.02 . 1 . . . A 22 ALA HA . 18989 1 247 . 1 1 22 22 ALA HB1 H 1 1.49 0.02 . 1 . . . A 22 ALA HB1 . 18989 1 248 . 1 1 22 22 ALA HB2 H 1 1.49 0.02 . 1 . . . A 22 ALA HB2 . 18989 1 249 . 1 1 22 22 ALA HB3 H 1 1.49 0.02 . 1 . . . A 22 ALA HB3 . 18989 1 250 . 1 1 22 22 ALA C C 13 178 0.2 . 1 . . . A 22 ALA C . 18989 1 251 . 1 1 22 22 ALA CA C 13 54.7 0.2 . 1 . . . A 22 ALA CA . 18989 1 252 . 1 1 22 22 ALA CB C 13 18.5 0.2 . 1 . . . A 22 ALA CB . 18989 1 253 . 1 1 22 22 ALA N N 15 120.4 0.2 . 1 . . . A 22 ALA N . 18989 1 254 . 1 1 23 23 LEU H H 1 7.05 0.02 . 1 . . . A 23 LEU H . 18989 1 255 . 1 1 23 23 LEU HA H 1 4.23 0.02 . 1 . . . A 23 LEU HA . 18989 1 256 . 1 1 23 23 LEU HB2 H 1 1.7 0.02 . 2 . . . A 23 LEU HB2 . 18989 1 257 . 1 1 23 23 LEU HB3 H 1 1.51 0.02 . 2 . . . A 23 LEU HB3 . 18989 1 258 . 1 1 23 23 LEU HG H 1 1.64 0.02 . 1 . . . A 23 LEU HG . 18989 1 259 . 1 1 23 23 LEU HD11 H 1 0.85 0.02 . 2 . . . A 23 LEU HD11 . 18989 1 260 . 1 1 23 23 LEU HD12 H 1 0.85 0.02 . 2 . . . A 23 LEU HD12 . 18989 1 261 . 1 1 23 23 LEU HD13 H 1 0.85 0.02 . 2 . . . A 23 LEU HD13 . 18989 1 262 . 1 1 23 23 LEU HD21 H 1 0.76 0.02 . 2 . . . A 23 LEU HD21 . 18989 1 263 . 1 1 23 23 LEU HD22 H 1 0.76 0.02 . 2 . . . A 23 LEU HD22 . 18989 1 264 . 1 1 23 23 LEU HD23 H 1 0.76 0.02 . 2 . . . A 23 LEU HD23 . 18989 1 265 . 1 1 23 23 LEU C C 13 177.2 0.2 . 1 . . . A 23 LEU C . 18989 1 266 . 1 1 23 23 LEU CA C 13 58 0.2 . 1 . . . A 23 LEU CA . 18989 1 267 . 1 1 23 23 LEU CB C 13 42.4 0.2 . 1 . . . A 23 LEU CB . 18989 1 268 . 1 1 23 23 LEU CG C 13 27 0.2 . 1 . . . A 23 LEU CG . 18989 1 269 . 1 1 23 23 LEU CD1 C 13 20.9 0.2 . 2 . . . A 23 LEU CD1 . 18989 1 270 . 1 1 23 23 LEU CD2 C 13 23.5 0.2 . 2 . . . A 23 LEU CD2 . 18989 1 271 . 1 1 23 23 LEU N N 15 116.4 0.2 . 1 . . . A 23 LEU N . 18989 1 272 . 1 1 24 24 VAL H H 1 7.32 0.02 . 1 . . . A 24 VAL H . 18989 1 273 . 1 1 24 24 VAL HA H 1 3.36 0.02 . 1 . . . A 24 VAL HA . 18989 1 274 . 1 1 24 24 VAL HB H 1 1.53 0.02 . 1 . . . A 24 VAL HB . 18989 1 275 . 1 1 24 24 VAL HG11 H 1 -0.03 0.02 . 2 . . . A 24 VAL HG11 . 18989 1 276 . 1 1 24 24 VAL HG12 H 1 -0.03 0.02 . 2 . . . A 24 VAL HG12 . 18989 1 277 . 1 1 24 24 VAL HG13 H 1 -0.03 0.02 . 2 . . . A 24 VAL HG13 . 18989 1 278 . 1 1 24 24 VAL HG21 H 1 0.43 0.02 . 2 . . . A 24 VAL HG21 . 18989 1 279 . 1 1 24 24 VAL HG22 H 1 0.43 0.02 . 2 . . . A 24 VAL HG22 . 18989 1 280 . 1 1 24 24 VAL HG23 H 1 0.43 0.02 . 2 . . . A 24 VAL HG23 . 18989 1 281 . 1 1 24 24 VAL C C 13 175.2 0.2 . 1 . . . A 24 VAL C . 18989 1 282 . 1 1 24 24 VAL CA C 13 64.3 0.2 . 1 . . . A 24 VAL CA . 18989 1 283 . 1 1 24 24 VAL CB C 13 30.8 0.2 . 1 . . . A 24 VAL CB . 18989 1 284 . 1 1 24 24 VAL CG1 C 13 21 0.2 . 2 . . . A 24 VAL CG1 . 18989 1 285 . 1 1 24 24 VAL CG2 C 13 18.9 0.2 . 2 . . . A 24 VAL CG2 . 18989 1 286 . 1 1 24 24 VAL N N 15 128.6 0.2 . 1 . . . A 24 VAL N . 18989 1 287 . 1 1 25 25 SER H H 1 6.99 0.02 . 1 . . . A 25 SER H . 18989 1 288 . 1 1 25 25 SER HA H 1 2.52 0.02 . 1 . . . A 25 SER HA . 18989 1 289 . 1 1 25 25 SER HB2 H 1 3.17 0.02 . 2 . . . A 25 SER HB2 . 18989 1 290 . 1 1 25 25 SER HB3 H 1 2.22 0.02 . 2 . . . A 25 SER HB3 . 18989 1 291 . 1 1 25 25 SER HG H 1 3.91 0.02 . 1 . . . A 25 SER HG . 18989 1 292 . 1 1 25 25 SER CA C 13 58.2 0.2 . 1 . . . A 25 SER CA . 18989 1 293 . 1 1 25 25 SER CB C 13 63.6 0.2 . 1 . . . A 25 SER CB . 18989 1 294 . 1 1 25 25 SER N N 15 108.5 0.2 . 1 . . . A 25 SER N . 18989 1 295 . 1 1 26 26 ASP H H 1 7.18 0.02 . 1 . . . A 26 ASP H . 18989 1 296 . 1 1 26 26 ASP HA H 1 4.91 0.02 . 1 . . . A 26 ASP HA . 18989 1 297 . 1 1 26 26 ASP HB2 H 1 2.56 0.02 . 2 . . . A 26 ASP HB2 . 18989 1 298 . 1 1 26 26 ASP HB3 H 1 2.56 0.02 . 2 . . . A 26 ASP HB3 . 18989 1 299 . 1 1 26 26 ASP C C 13 175.5 0.2 . 1 . . . A 26 ASP C . 18989 1 300 . 1 1 26 26 ASP CA C 13 51.2 0.2 . 1 . . . A 26 ASP CA . 18989 1 301 . 1 1 26 26 ASP CB C 13 38.1 0.2 . 1 . . . A 26 ASP CB . 18989 1 302 . 1 1 27 27 ILE H H 1 6.52 0.02 . 1 . . . A 27 ILE H . 18989 1 303 . 1 1 27 27 ILE HA H 1 3.39 0.02 . 1 . . . A 27 ILE HA . 18989 1 304 . 1 1 27 27 ILE HB H 1 0.8 0.02 . 1 . . . A 27 ILE HB . 18989 1 305 . 1 1 27 27 ILE HG12 H 1 -0.12 0.02 . 2 . . . A 27 ILE HG12 . 18989 1 306 . 1 1 27 27 ILE HG13 H 1 -1.38 0.02 . 2 . . . A 27 ILE HG13 . 18989 1 307 . 1 1 27 27 ILE HG21 H 1 -0.29 0.02 . 1 . . . A 27 ILE HG21 . 18989 1 308 . 1 1 27 27 ILE HG22 H 1 -0.29 0.02 . 1 . . . A 27 ILE HG22 . 18989 1 309 . 1 1 27 27 ILE HG23 H 1 -0.29 0.02 . 1 . . . A 27 ILE HG23 . 18989 1 310 . 1 1 27 27 ILE HD11 H 1 -0.83 0.02 . 1 . . . A 27 ILE HD11 . 18989 1 311 . 1 1 27 27 ILE HD12 H 1 -0.83 0.02 . 1 . . . A 27 ILE HD12 . 18989 1 312 . 1 1 27 27 ILE HD13 H 1 -0.83 0.02 . 1 . . . A 27 ILE HD13 . 18989 1 313 . 1 1 27 27 ILE C C 13 178.9 0.2 . 1 . . . A 27 ILE C . 18989 1 314 . 1 1 27 27 ILE CA C 13 61.7 0.2 . 1 . . . A 27 ILE CA . 18989 1 315 . 1 1 27 27 ILE CB C 13 36.6 0.2 . 1 . . . A 27 ILE CB . 18989 1 316 . 1 1 27 27 ILE CG1 C 13 26.1 0.2 . 1 . . . A 27 ILE CG1 . 18989 1 317 . 1 1 27 27 ILE CG2 C 13 20.8 0.2 . 1 . . . A 27 ILE CG2 . 18989 1 318 . 1 1 27 27 ILE CD1 C 13 13.5 0.2 . 1 . . . A 27 ILE CD1 . 18989 1 319 . 1 1 27 27 ILE N N 15 123.5 0.2 . 1 . . . A 27 ILE N . 18989 1 320 . 1 1 28 28 THR H H 1 7.65 0.02 . 1 . . . A 28 THR H . 18989 1 321 . 1 1 28 28 THR HA H 1 4.35 0.02 . 1 . . . A 28 THR HA . 18989 1 322 . 1 1 28 28 THR HB H 1 4.39 0.02 . 1 . . . A 28 THR HB . 18989 1 323 . 1 1 28 28 THR HG21 H 1 1.41 0.02 . 1 . . . A 28 THR HG21 . 18989 1 324 . 1 1 28 28 THR HG22 H 1 1.41 0.02 . 1 . . . A 28 THR HG22 . 18989 1 325 . 1 1 28 28 THR HG23 H 1 1.41 0.02 . 1 . . . A 28 THR HG23 . 18989 1 326 . 1 1 28 28 THR C C 13 176.5 0.2 . 1 . . . A 28 THR C . 18989 1 327 . 1 1 28 28 THR CA C 13 64 0.2 . 1 . . . A 28 THR CA . 18989 1 328 . 1 1 28 28 THR CB C 13 68.6 0.2 . 1 . . . A 28 THR CB . 18989 1 329 . 1 1 28 28 THR CG2 C 13 21.8 0.2 . 1 . . . A 28 THR CG2 . 18989 1 330 . 1 1 28 28 THR N N 15 112.5 0.2 . 1 . . . A 28 THR N . 18989 1 331 . 1 1 29 29 ARG H H 1 7.52 0.02 . 1 . . . A 29 ARG H . 18989 1 332 . 1 1 29 29 ARG HA H 1 4.28 0.02 . 1 . . . A 29 ARG HA . 18989 1 333 . 1 1 29 29 ARG HB2 H 1 1.59 0.02 . 2 . . . A 29 ARG HB2 . 18989 1 334 . 1 1 29 29 ARG HB3 H 1 1.59 0.02 . 2 . . . A 29 ARG HB3 . 18989 1 335 . 1 1 29 29 ARG HG2 H 1 1.70 0.02 . 2 . . . A 29 ARG HG2 . 18989 1 336 . 1 1 29 29 ARG HG3 H 1 1.38 0.02 . 2 . . . A 29 ARG HG3 . 18989 1 337 . 1 1 29 29 ARG CA C 13 56.2 0.2 . 1 . . . A 29 ARG CA . 18989 1 338 . 1 1 29 29 ARG CB C 13 30.6 0.2 . 1 . . . A 29 ARG CB . 18989 1 339 . 1 1 29 29 ARG CG C 13 27.2 0.2 . 1 . . . A 29 ARG CG . 18989 1 340 . 1 1 29 29 ARG N N 15 121.1 0.2 . 1 . . . A 29 ARG N . 18989 1 341 . 1 1 30 30 THR H H 1 6.75 0.02 . 1 . . . A 30 THR H . 18989 1 342 . 1 1 30 30 THR HA H 1 5.87 0.02 . 1 . . . A 30 THR HA . 18989 1 343 . 1 1 30 30 THR HB H 1 3.49 0.02 . 1 . . . A 30 THR HB . 18989 1 344 . 1 1 30 30 THR C C 13 174 0.2 . 1 . . . A 30 THR C . 18989 1 345 . 1 1 30 30 THR CA C 13 66 0.2 . 1 . . . A 30 THR CA . 18989 1 346 . 1 1 30 30 THR CB C 13 69.4 0.2 . 1 . . . A 30 THR CB . 18989 1 347 . 1 1 31 31 GLY H H 1 8.16 0.02 . 1 . . . A 31 GLY H . 18989 1 348 . 1 1 31 31 GLY HA2 H 1 3.9 0.02 . 2 . . . A 31 GLY HA2 . 18989 1 349 . 1 1 31 31 GLY HA3 H 1 3.48 0.02 . 2 . . . A 31 GLY HA3 . 18989 1 350 . 1 1 31 31 GLY C C 13 175.2 0.2 . 1 . . . A 31 GLY C . 18989 1 351 . 1 1 31 31 GLY CA C 13 46.2 0.2 . 1 . . . A 31 GLY CA . 18989 1 352 . 1 1 31 31 GLY N N 15 106.2 0.2 . 1 . . . A 31 GLY N . 18989 1 353 . 1 1 32 32 GLU H H 1 7.99 0.02 . 1 . . . A 32 GLU H . 18989 1 354 . 1 1 32 32 GLU HA H 1 3.97 0.02 . 1 . . . A 32 GLU HA . 18989 1 355 . 1 1 32 32 GLU HB2 H 1 1.99 0.02 . 2 . . . A 32 GLU HB2 . 18989 1 356 . 1 1 32 32 GLU HB3 H 1 1.62 0.02 . 2 . . . A 32 GLU HB3 . 18989 1 357 . 1 1 32 32 GLU HG2 H 1 2.25 0.02 . 2 . . . A 32 GLU HG2 . 18989 1 358 . 1 1 32 32 GLU HG3 H 1 2.16 0.02 . 2 . . . A 32 GLU HG3 . 18989 1 359 . 1 1 32 32 GLU C C 13 177.5 0.2 . 1 . . . A 32 GLU C . 18989 1 360 . 1 1 32 32 GLU CA C 13 58.8 0.2 . 1 . . . A 32 GLU CA . 18989 1 361 . 1 1 32 32 GLU CB C 13 29.8 0.2 . 1 . . . A 32 GLU CB . 18989 1 362 . 1 1 32 32 GLU CG C 13 37.4 0.2 . 1 . . . A 32 GLU CG . 18989 1 363 . 1 1 32 32 GLU N N 15 118.4 0.2 . 1 . . . A 32 GLU N . 18989 1 364 . 1 1 33 33 TRP H H 1 6.95 0.02 . 1 . . . A 33 TRP H . 18989 1 365 . 1 1 33 33 TRP HA H 1 4.94 0.02 . 1 . . . A 33 TRP HA . 18989 1 366 . 1 1 33 33 TRP HB2 H 1 3.6 0.02 . 2 . . . A 33 TRP HB2 . 18989 1 367 . 1 1 33 33 TRP HB3 H 1 2.79 0.02 . 2 . . . A 33 TRP HB3 . 18989 1 368 . 1 1 33 33 TRP HE1 H 1 10.3 0.02 . 1 . . . A 33 TRP HE1 . 18989 1 369 . 1 1 33 33 TRP C C 13 175.3 0.2 . 1 . . . A 33 TRP C . 18989 1 370 . 1 1 33 33 TRP CA C 13 56.4 0.2 . 1 . . . A 33 TRP CA . 18989 1 371 . 1 1 33 33 TRP CB C 13 30.6 0.2 . 1 . . . A 33 TRP CB . 18989 1 372 . 1 1 33 33 TRP N N 15 113.2 0.2 . 1 . . . A 33 TRP N . 18989 1 373 . 1 1 33 33 TRP NE1 N 15 129.6 0.2 . 1 . . . A 33 TRP NE1 . 18989 1 374 . 1 1 34 34 SER H H 1 7.84 0.02 . 1 . . . A 34 SER H . 18989 1 375 . 1 1 34 34 SER HA H 1 4.93 0.02 . 1 . . . A 34 SER HA . 18989 1 376 . 1 1 34 34 SER HB2 H 1 3.82 0.02 . 2 . . . A 34 SER HB2 . 18989 1 377 . 1 1 34 34 SER HB3 H 1 3.63 0.02 . 2 . . . A 34 SER HB3 . 18989 1 378 . 1 1 34 34 SER CA C 13 54.7 0.2 . 1 . . . A 34 SER CA . 18989 1 379 . 1 1 34 34 SER CB C 13 63 0.2 . 1 . . . A 34 SER CB . 18989 1 380 . 1 1 34 34 SER N N 15 118.6 0.2 . 1 . . . A 34 SER N . 18989 1 381 . 1 1 35 35 PRO HA H 1 4.46 0.02 . 1 . . . A 35 PRO HA . 18989 1 382 . 1 1 35 35 PRO HB2 H 1 2.35 0.02 . 2 . . . A 35 PRO HB2 . 18989 1 383 . 1 1 35 35 PRO HB3 H 1 1.98 0.02 . 2 . . . A 35 PRO HB3 . 18989 1 384 . 1 1 35 35 PRO HG2 H 1 1.98 0.02 . 2 . . . A 35 PRO HG2 . 18989 1 385 . 1 1 35 35 PRO HG3 H 1 1.98 0.02 . 2 . . . A 35 PRO HG3 . 18989 1 386 . 1 1 35 35 PRO HD2 H 1 3.74 0.02 . 2 . . . A 35 PRO HD2 . 18989 1 387 . 1 1 35 35 PRO HD3 H 1 3.66 0.02 . 2 . . . A 35 PRO HD3 . 18989 1 388 . 1 1 35 35 PRO C C 13 177.1 0.2 . 1 . . . A 35 PRO C . 18989 1 389 . 1 1 35 35 PRO CA C 13 64.5 0.2 . 1 . . . A 35 PRO CA . 18989 1 390 . 1 1 35 35 PRO CB C 13 32.3 0.2 . 1 . . . A 35 PRO CB . 18989 1 391 . 1 1 35 35 PRO CG C 13 27.1 0.2 . 1 . . . A 35 PRO CG . 18989 1 392 . 1 1 36 36 VAL H H 1 7.34 0.02 . 1 . . . A 36 VAL H . 18989 1 393 . 1 1 36 36 VAL HA H 1 4.1 0.02 . 1 . . . A 36 VAL HA . 18989 1 394 . 1 1 36 36 VAL HB H 1 1.99 0.02 . 1 . . . A 36 VAL HB . 18989 1 395 . 1 1 36 36 VAL HG11 H 1 0.85 0.02 . 2 . . . A 36 VAL HG11 . 18989 1 396 . 1 1 36 36 VAL HG12 H 1 0.85 0.02 . 2 . . . A 36 VAL HG12 . 18989 1 397 . 1 1 36 36 VAL HG13 H 1 0.85 0.02 . 2 . . . A 36 VAL HG13 . 18989 1 398 . 1 1 36 36 VAL C C 13 174.2 0.2 . 1 . . . A 36 VAL C . 18989 1 399 . 1 1 36 36 VAL CA C 13 62.9 0.2 . 1 . . . A 36 VAL CA . 18989 1 400 . 1 1 36 36 VAL CB C 13 32.5 0.2 . 1 . . . A 36 VAL CB . 18989 1 401 . 1 1 36 36 VAL CG1 C 13 20.9 0.2 . 2 . . . A 36 VAL CG1 . 18989 1 402 . 1 1 36 36 VAL N N 15 113.9 0.2 . 1 . . . A 36 VAL N . 18989 1 403 . 1 1 37 37 CYS H H 1 7.77 0.02 . 1 . . . A 37 CYS H . 18989 1 404 . 1 1 37 37 CYS HA H 1 4.46 0.02 . 1 . . . A 37 CYS HA . 18989 1 405 . 1 1 37 37 CYS HB2 H 1 2.45 0.02 . 2 . . . A 37 CYS HB2 . 18989 1 406 . 1 1 37 37 CYS HB3 H 1 2.45 0.02 . 2 . . . A 37 CYS HB3 . 18989 1 407 . 1 1 37 37 CYS C C 13 173.6 0.2 . 1 . . . A 37 CYS C . 18989 1 408 . 1 1 37 37 CYS CA C 13 58.5 0.2 . 1 . . . A 37 CYS CA . 18989 1 409 . 1 1 37 37 CYS CB C 13 27 0.2 . 1 . . . A 37 CYS CB . 18989 1 410 . 1 1 37 37 CYS N N 15 121 0.2 . 1 . . . A 37 CYS N . 18989 1 411 . 1 1 38 38 GLU H H 1 8.64 0.02 . 1 . . . A 38 GLU H . 18989 1 412 . 1 1 38 38 GLU HA H 1 4.14 0.02 . 1 . . . A 38 GLU HA . 18989 1 413 . 1 1 38 38 GLU HB2 H 1 1.95 0.02 . 2 . . . A 38 GLU HB2 . 18989 1 414 . 1 1 38 38 GLU HB3 H 1 1.88 0.02 . 2 . . . A 38 GLU HB3 . 18989 1 415 . 1 1 38 38 GLU HG2 H 1 2.19 0.02 . 2 . . . A 38 GLU HG2 . 18989 1 416 . 1 1 38 38 GLU HG3 H 1 2.07 0.02 . 2 . . . A 38 GLU HG3 . 18989 1 417 . 1 1 38 38 GLU C C 13 176.5 0.2 . 1 . . . A 38 GLU C . 18989 1 418 . 1 1 38 38 GLU CA C 13 57.9 0.2 . 1 . . . A 38 GLU CA . 18989 1 419 . 1 1 38 38 GLU CB C 13 31.8 0.2 . 1 . . . A 38 GLU CB . 18989 1 420 . 1 1 38 38 GLU CG C 13 36.6 0.2 . 1 . . . A 38 GLU CG . 18989 1 421 . 1 1 38 38 GLU N N 15 129.3 0.2 . 1 . . . A 38 GLU N . 18989 1 422 . 1 1 39 39 LYS H H 1 7.57 0.02 . 1 . . . A 39 LYS H . 18989 1 423 . 1 1 39 39 LYS HA H 1 4.47 0.02 . 1 . . . A 39 LYS HA . 18989 1 424 . 1 1 39 39 LYS HB2 H 1 1.85 0.02 . 2 . . . A 39 LYS HB2 . 18989 1 425 . 1 1 39 39 LYS HB3 H 1 1.78 0.02 . 2 . . . A 39 LYS HB3 . 18989 1 426 . 1 1 39 39 LYS HG2 H 1 1.54 0.02 . 2 . . . A 39 LYS HG2 . 18989 1 427 . 1 1 39 39 LYS HG3 H 1 1.43 0.02 . 2 . . . A 39 LYS HG3 . 18989 1 428 . 1 1 39 39 LYS HD2 H 1 1.57 0.02 . 2 . . . A 39 LYS HD2 . 18989 1 429 . 1 1 39 39 LYS HD3 H 1 1.4 0.02 . 2 . . . A 39 LYS HD3 . 18989 1 430 . 1 1 39 39 LYS HE2 H 1 2.69 0.02 . 2 . . . A 39 LYS HE2 . 18989 1 431 . 1 1 39 39 LYS HE3 H 1 2.69 0.02 . 2 . . . A 39 LYS HE3 . 18989 1 432 . 1 1 39 39 LYS C C 13 173.6 0.2 . 1 . . . A 39 LYS C . 18989 1 433 . 1 1 39 39 LYS CA C 13 55.8 0.2 . 1 . . . A 39 LYS CA . 18989 1 434 . 1 1 39 39 LYS CB C 13 36.5 0.2 . 1 . . . A 39 LYS CB . 18989 1 435 . 1 1 39 39 LYS CG C 13 25.4 0.2 . 1 . . . A 39 LYS CG . 18989 1 436 . 1 1 39 39 LYS CD C 13 29.4 0.2 . 1 . . . A 39 LYS CD . 18989 1 437 . 1 1 39 39 LYS CE C 13 42 0.2 . 1 . . . A 39 LYS CE . 18989 1 438 . 1 1 39 39 LYS N N 15 117.1 0.2 . 1 . . . A 39 LYS N . 18989 1 439 . 1 1 40 40 CYS H H 1 8.55 0.02 . 1 . . . A 40 CYS H . 18989 1 440 . 1 1 40 40 CYS HA H 1 5.41 0.02 . 1 . . . A 40 CYS HA . 18989 1 441 . 1 1 40 40 CYS HB2 H 1 2.6 0.02 . 2 . . . A 40 CYS HB2 . 18989 1 442 . 1 1 40 40 CYS HB3 H 1 2.6 0.02 . 2 . . . A 40 CYS HB3 . 18989 1 443 . 1 1 40 40 CYS C C 13 173 0.2 . 1 . . . A 40 CYS C . 18989 1 444 . 1 1 40 40 CYS CA C 13 57.1 0.2 . 1 . . . A 40 CYS CA . 18989 1 445 . 1 1 40 40 CYS CB C 13 30.1 0.2 . 1 . . . A 40 CYS CB . 18989 1 446 . 1 1 40 40 CYS N N 15 125.1 0.2 . 1 . . . A 40 CYS N . 18989 1 447 . 1 1 41 41 TRP H H 1 8.67 0.02 . 1 . . . A 41 TRP H . 18989 1 448 . 1 1 41 41 TRP HA H 1 4.83 0.02 . 1 . . . A 41 TRP HA . 18989 1 449 . 1 1 41 41 TRP HB2 H 1 3.26 0.02 . 2 . . . A 41 TRP HB2 . 18989 1 450 . 1 1 41 41 TRP HB3 H 1 3.26 0.02 . 2 . . . A 41 TRP HB3 . 18989 1 451 . 1 1 41 41 TRP HD1 H 1 7.16 0.02 . 1 . . . A 41 TRP HD1 . 18989 1 452 . 1 1 41 41 TRP HE1 H 1 10.16 0.02 . 1 . . . A 41 TRP HE1 . 18989 1 453 . 1 1 41 41 TRP HZ2 H 1 7.43 0.02 . 1 . . . A 41 TRP HZ2 . 18989 1 454 . 1 1 41 41 TRP HZ3 H 1 6.6 0.02 . 1 . . . A 41 TRP HZ3 . 18989 1 455 . 1 1 41 41 TRP HH2 H 1 6.98 0.02 . 1 . . . A 41 TRP HH2 . 18989 1 456 . 1 1 41 41 TRP C C 13 174.1 0.2 . 1 . . . A 41 TRP C . 18989 1 457 . 1 1 41 41 TRP CA C 13 56.3 0.2 . 1 . . . A 41 TRP CA . 18989 1 458 . 1 1 41 41 TRP CB C 13 32.4 0.2 . 1 . . . A 41 TRP CB . 18989 1 459 . 1 1 41 41 TRP CD1 C 13 129.2 0.2 . 1 . . . A 41 TRP CD1 . 18989 1 460 . 1 1 41 41 TRP CZ2 C 13 114.9 0.2 . 1 . . . A 41 TRP CZ2 . 18989 1 461 . 1 1 41 41 TRP CH2 C 13 123.7 0.2 . 1 . . . A 41 TRP CH2 . 18989 1 462 . 1 1 41 41 TRP N N 15 124.3 0.2 . 1 . . . A 41 TRP N . 18989 1 463 . 1 1 41 41 TRP NE1 N 15 130.2 0.2 . 1 . . . A 41 TRP NE1 . 18989 1 464 . 1 1 42 42 TRP H H 1 8.45 0.02 . 1 . . . A 42 TRP H . 18989 1 465 . 1 1 42 42 TRP HA H 1 4.83 0.02 . 1 . . . A 42 TRP HA . 18989 1 466 . 1 1 42 42 TRP HB2 H 1 3.77 0.02 . 2 . . . A 42 TRP HB2 . 18989 1 467 . 1 1 42 42 TRP HB3 H 1 3.15 0.02 . 2 . . . A 42 TRP HB3 . 18989 1 468 . 1 1 42 42 TRP HD1 H 1 7.42 0.02 . 1 . . . A 42 TRP HD1 . 18989 1 469 . 1 1 42 42 TRP HE1 H 1 10.8 0.02 . 1 . . . A 42 TRP HE1 . 18989 1 470 . 1 1 42 42 TRP HZ2 H 1 7.65 0.02 . 1 . . . A 42 TRP HZ2 . 18989 1 471 . 1 1 42 42 TRP HH2 H 1 6.95 0.02 . 1 . . . A 42 TRP HH2 . 18989 1 472 . 1 1 42 42 TRP C C 13 178.2 0.2 . 1 . . . A 42 TRP C . 18989 1 473 . 1 1 42 42 TRP CA C 13 57 0.2 . 1 . . . A 42 TRP CA . 18989 1 474 . 1 1 42 42 TRP CB C 13 31.6 0.2 . 1 . . . A 42 TRP CB . 18989 1 475 . 1 1 42 42 TRP CD1 C 13 127.8 0.2 . 1 . . . A 42 TRP CD1 . 18989 1 476 . 1 1 42 42 TRP CZ2 C 13 114.4 0.2 . 1 . . . A 42 TRP CZ2 . 18989 1 477 . 1 1 42 42 TRP CH2 C 13 122.8 0.2 . 1 . . . A 42 TRP CH2 . 18989 1 478 . 1 1 42 42 TRP N N 15 123.7 0.2 . 1 . . . A 42 TRP N . 18989 1 479 . 1 1 42 42 TRP NE1 N 15 129.3 0.2 . 1 . . . A 42 TRP NE1 . 18989 1 480 . 1 1 43 43 ASP H H 1 8.73 0.02 . 1 . . . A 43 ASP H . 18989 1 481 . 1 1 43 43 ASP HA H 1 4.68 0.02 . 1 . . . A 43 ASP HA . 18989 1 482 . 1 1 43 43 ASP HB2 H 1 3.05 0.02 . 2 . . . A 43 ASP HB2 . 18989 1 483 . 1 1 43 43 ASP HB3 H 1 2.85 0.02 . 2 . . . A 43 ASP HB3 . 18989 1 484 . 1 1 43 43 ASP C C 13 176.3 0.2 . 1 . . . A 43 ASP C . 18989 1 485 . 1 1 43 43 ASP CA C 13 56.3 0.2 . 1 . . . A 43 ASP CA . 18989 1 486 . 1 1 43 43 ASP CB C 13 40.3 0.2 . 1 . . . A 43 ASP CB . 18989 1 487 . 1 1 43 43 ASP N N 15 124.4 0.2 . 1 . . . A 43 ASP N . 18989 1 488 . 1 1 44 44 GLU H H 1 8.82 0.02 . 1 . . . A 44 GLU H . 18989 1 489 . 1 1 44 44 GLU HA H 1 4.27 0.02 . 1 . . . A 44 GLU HA . 18989 1 490 . 1 1 44 44 GLU HB2 H 1 2.14 0.02 . 2 . . . A 44 GLU HB2 . 18989 1 491 . 1 1 44 44 GLU HB3 H 1 2.06 0.02 . 2 . . . A 44 GLU HB3 . 18989 1 492 . 1 1 44 44 GLU HG2 H 1 2.36 0.02 . 2 . . . A 44 GLU HG2 . 18989 1 493 . 1 1 44 44 GLU HG3 H 1 2.36 0.02 . 2 . . . A 44 GLU HG3 . 18989 1 494 . 1 1 44 44 GLU C C 13 176.5 0.2 . 1 . . . A 44 GLU C . 18989 1 495 . 1 1 44 44 GLU CA C 13 57.6 0.2 . 1 . . . A 44 GLU CA . 18989 1 496 . 1 1 44 44 GLU CB C 13 30.2 0.2 . 1 . . . A 44 GLU CB . 18989 1 497 . 1 1 44 44 GLU CG C 13 36.2 0.2 . 1 . . . A 44 GLU CG . 18989 1 498 . 1 1 44 44 GLU N N 15 119.4 0.2 . 1 . . . A 44 GLU N . 18989 1 499 . 1 1 45 45 ASP H H 1 8.56 0.02 . 1 . . . A 45 ASP H . 18989 1 500 . 1 1 45 45 ASP HA H 1 4.48 0.02 . 1 . . . A 45 ASP HA . 18989 1 501 . 1 1 45 45 ASP HB2 H 1 2.98 0.02 . 2 . . . A 45 ASP HB2 . 18989 1 502 . 1 1 45 45 ASP HB3 H 1 2.85 0.02 . 2 . . . A 45 ASP HB3 . 18989 1 503 . 1 1 45 45 ASP C C 13 175.9 0.2 . 1 . . . A 45 ASP C . 18989 1 504 . 1 1 45 45 ASP CA C 13 56 0.2 . 1 . . . A 45 ASP CA . 18989 1 505 . 1 1 45 45 ASP CB C 13 40.2 0.2 . 1 . . . A 45 ASP CB . 18989 1 506 . 1 1 45 45 ASP N N 15 118.3 0.2 . 1 . . . A 45 ASP N . 18989 1 507 . 1 1 46 46 GLU H H 1 8.22 0.02 . 1 . . . A 46 GLU H . 18989 1 508 . 1 1 46 46 GLU HA H 1 4.46 0.02 . 1 . . . A 46 GLU HA . 18989 1 509 . 1 1 46 46 GLU HB2 H 1 2.23 0.02 . 2 . . . A 46 GLU HB2 . 18989 1 510 . 1 1 46 46 GLU HB3 H 1 2.23 0.02 . 2 . . . A 46 GLU HB3 . 18989 1 511 . 1 1 46 46 GLU HG2 H 1 2.41 0.02 . 2 . . . A 46 GLU HG2 . 18989 1 512 . 1 1 46 46 GLU HG3 H 1 2.24 0.02 . 2 . . . A 46 GLU HG3 . 18989 1 513 . 1 1 46 46 GLU C C 13 175.2 0.2 . 1 . . . A 46 GLU C . 18989 1 514 . 1 1 46 46 GLU CA C 13 56.6 0.2 . 1 . . . A 46 GLU CA . 18989 1 515 . 1 1 46 46 GLU CB C 13 30.8 0.2 . 1 . . . A 46 GLU CB . 18989 1 516 . 1 1 46 46 GLU CG C 13 37.3 0.2 . 1 . . . A 46 GLU CG . 18989 1 517 . 1 1 46 46 GLU N N 15 118.2 0.2 . 1 . . . A 46 GLU N . 18989 1 518 . 1 1 47 47 GLY H H 1 6.68 0.02 . 1 . . . A 47 GLY H . 18989 1 519 . 1 1 47 47 GLY HA2 H 1 3.42 0.02 . 2 . . . A 47 GLY HA2 . 18989 1 520 . 1 1 47 47 GLY HA3 H 1 3.42 0.02 . 2 . . . A 47 GLY HA3 . 18989 1 521 . 1 1 47 47 GLY CA C 13 43.6 0.2 . 1 . . . A 47 GLY CA . 18989 1 522 . 1 1 47 47 GLY N N 15 106.4 0.2 . 1 . . . A 47 GLY N . 18989 1 523 . 1 1 48 48 PRO HA H 1 4.59 0.02 . 1 . . . A 48 PRO HA . 18989 1 524 . 1 1 48 48 PRO HB2 H 1 2.44 0.02 . 2 . . . A 48 PRO HB2 . 18989 1 525 . 1 1 48 48 PRO HB3 H 1 2.28 0.02 . 2 . . . A 48 PRO HB3 . 18989 1 526 . 1 1 48 48 PRO C C 13 173.4 0.2 . 1 . . . A 48 PRO C . 18989 1 527 . 1 1 48 48 PRO CA C 13 63.1 0.2 . 1 . . . A 48 PRO CA . 18989 1 528 . 1 1 48 48 PRO CB C 13 29.1 0.2 . 1 . . . A 48 PRO CB . 18989 1 529 . 1 1 48 48 PRO CD C 13 48.4 0.2 . 1 . . . A 48 PRO CD . 18989 1 530 . 1 1 49 49 VAL H H 1 8.63 0.02 . 1 . . . A 49 VAL H . 18989 1 531 . 1 1 49 49 VAL HA H 1 4.61 0.02 . 1 . . . A 49 VAL HA . 18989 1 532 . 1 1 49 49 VAL HB H 1 2.12 0.02 . 1 . . . A 49 VAL HB . 18989 1 533 . 1 1 49 49 VAL HG11 H 1 0.85 0.02 . 2 . . . A 49 VAL HG11 . 18989 1 534 . 1 1 49 49 VAL HG12 H 1 0.85 0.02 . 2 . . . A 49 VAL HG12 . 18989 1 535 . 1 1 49 49 VAL HG13 H 1 0.85 0.02 . 2 . . . A 49 VAL HG13 . 18989 1 536 . 1 1 49 49 VAL HG21 H 1 0.74 0.02 . 2 . . . A 49 VAL HG21 . 18989 1 537 . 1 1 49 49 VAL HG22 H 1 0.74 0.02 . 2 . . . A 49 VAL HG22 . 18989 1 538 . 1 1 49 49 VAL HG23 H 1 0.74 0.02 . 2 . . . A 49 VAL HG23 . 18989 1 539 . 1 1 49 49 VAL C C 13 175.1 0.2 . 1 . . . A 49 VAL C . 18989 1 540 . 1 1 49 49 VAL CA C 13 59.3 0.2 . 1 . . . A 49 VAL CA . 18989 1 541 . 1 1 49 49 VAL CB C 13 35.5 0.2 . 1 . . . A 49 VAL CB . 18989 1 542 . 1 1 49 49 VAL CG1 C 13 21.5 0.2 . 2 . . . A 49 VAL CG1 . 18989 1 543 . 1 1 49 49 VAL CG2 C 13 19.3 0.2 . 2 . . . A 49 VAL CG2 . 18989 1 544 . 1 1 49 49 VAL N N 15 121.9 0.2 . 1 . . . A 49 VAL N . 18989 1 545 . 1 1 50 50 VAL H H 1 8.51 0.02 . 1 . . . A 50 VAL H . 18989 1 546 . 1 1 50 50 VAL HA H 1 3.3 0.02 . 1 . . . A 50 VAL HA . 18989 1 547 . 1 1 50 50 VAL HB H 1 1.97 0.02 . 1 . . . A 50 VAL HB . 18989 1 548 . 1 1 50 50 VAL HG11 H 1 0.94 0.02 . 2 . . . A 50 VAL HG11 . 18989 1 549 . 1 1 50 50 VAL HG12 H 1 0.94 0.02 . 2 . . . A 50 VAL HG12 . 18989 1 550 . 1 1 50 50 VAL HG13 H 1 0.94 0.02 . 2 . . . A 50 VAL HG13 . 18989 1 551 . 1 1 50 50 VAL HG21 H 1 0.95 0.02 . 2 . . . A 50 VAL HG21 . 18989 1 552 . 1 1 50 50 VAL HG22 H 1 0.95 0.02 . 2 . . . A 50 VAL HG22 . 18989 1 553 . 1 1 50 50 VAL HG23 H 1 0.95 0.02 . 2 . . . A 50 VAL HG23 . 18989 1 554 . 1 1 50 50 VAL C C 13 177.4 0.2 . 1 . . . A 50 VAL C . 18989 1 555 . 1 1 50 50 VAL CA C 13 66.2 0.2 . 1 . . . A 50 VAL CA . 18989 1 556 . 1 1 50 50 VAL CB C 13 31.3 0.2 . 1 . . . A 50 VAL CB . 18989 1 557 . 1 1 50 50 VAL CG1 C 13 22.8 0.2 . 2 . . . A 50 VAL CG1 . 18989 1 558 . 1 1 50 50 VAL CG2 C 13 21.5 0.2 . 2 . . . A 50 VAL CG2 . 18989 1 559 . 1 1 50 50 VAL N N 15 121.7 0.2 . 1 . . . A 50 VAL N . 18989 1 560 . 1 1 51 51 GLY H H 1 8.82 0.02 . 1 . . . A 51 GLY H . 18989 1 561 . 1 1 51 51 GLY HA2 H 1 4.42 0.02 . 2 . . . A 51 GLY HA2 . 18989 1 562 . 1 1 51 51 GLY HA3 H 1 3.77 0.02 . 2 . . . A 51 GLY HA3 . 18989 1 563 . 1 1 51 51 GLY C C 13 174.2 0.2 . 1 . . . A 51 GLY C . 18989 1 564 . 1 1 51 51 GLY CA C 13 44.6 0.2 . 1 . . . A 51 GLY CA . 18989 1 565 . 1 1 51 51 GLY N N 15 115.8 0.2 . 1 . . . A 51 GLY N . 18989 1 566 . 1 1 52 52 ALA H H 1 8.08 0.02 . 1 . . . A 52 ALA H . 18989 1 567 . 1 1 52 52 ALA HA H 1 4.55 0.02 . 1 . . . A 52 ALA HA . 18989 1 568 . 1 1 52 52 ALA HB1 H 1 1.97 0.02 . 1 . . . A 52 ALA HB1 . 18989 1 569 . 1 1 52 52 ALA HB2 H 1 1.97 0.02 . 1 . . . A 52 ALA HB2 . 18989 1 570 . 1 1 52 52 ALA HB3 H 1 1.97 0.02 . 1 . . . A 52 ALA HB3 . 18989 1 571 . 1 1 52 52 ALA C C 13 177.3 0.2 . 1 . . . A 52 ALA C . 18989 1 572 . 1 1 52 52 ALA CA C 13 52.8 0.2 . 1 . . . A 52 ALA CA . 18989 1 573 . 1 1 52 52 ALA CB C 13 23.1 0.2 . 1 . . . A 52 ALA CB . 18989 1 574 . 1 1 52 52 ALA N N 15 123 0.2 . 1 . . . A 52 ALA N . 18989 1 575 . 1 1 53 53 HIS H H 1 9.28 0.02 . 1 . . . A 53 HIS H . 18989 1 576 . 1 1 53 53 HIS HA H 1 6.02 0.02 . 1 . . . A 53 HIS HA . 18989 1 577 . 1 1 53 53 HIS HB2 H 1 3.26 0.02 . 2 . . . A 53 HIS HB2 . 18989 1 578 . 1 1 53 53 HIS HB3 H 1 3.26 0.02 . 2 . . . A 53 HIS HB3 . 18989 1 579 . 1 1 53 53 HIS HD2 H 1 7.22 0.02 . 1 . . . A 53 HIS HD2 . 18989 1 580 . 1 1 53 53 HIS HE1 H 1 8.6 0.02 . 1 . . . A 53 HIS HE1 . 18989 1 581 . 1 1 53 53 HIS C C 13 174.2 0.2 . 1 . . . A 53 HIS C . 18989 1 582 . 1 1 53 53 HIS CA C 13 55.2 0.2 . 1 . . . A 53 HIS CA . 18989 1 583 . 1 1 53 53 HIS CB C 13 32.1 0.2 . 1 . . . A 53 HIS CB . 18989 1 584 . 1 1 53 53 HIS CD2 C 13 119.2 0.2 . 1 . . . A 53 HIS CD2 . 18989 1 585 . 1 1 53 53 HIS CE1 C 13 136.5 0.2 . 1 . . . A 53 HIS CE1 . 18989 1 586 . 1 1 53 53 HIS N N 15 115.9 0.2 . 1 . . . A 53 HIS N . 18989 1 587 . 1 1 53 53 HIS ND1 N 15 183.2 0.2 . 1 . . . A 53 HIS ND1 . 18989 1 588 . 1 1 53 53 HIS NE2 N 15 176.8 0.2 . 1 . . . A 53 HIS NE2 . 18989 1 589 . 1 1 54 54 PHE H H 1 8.42 0.02 . 1 . . . A 54 PHE H . 18989 1 590 . 1 1 54 54 PHE HA H 1 5.15 0.02 . 1 . . . A 54 PHE HA . 18989 1 591 . 1 1 54 54 PHE HB2 H 1 2.45 0.02 . 2 . . . A 54 PHE HB2 . 18989 1 592 . 1 1 54 54 PHE HB3 H 1 2.18 0.02 . 2 . . . A 54 PHE HB3 . 18989 1 593 . 1 1 54 54 PHE HD1 H 1 6.4 0.02 . 3 . . . A 54 PHE HD1 . 18989 1 594 . 1 1 54 54 PHE HD2 H 1 6.4 0.02 . 3 . . . A 54 PHE HD2 . 18989 1 595 . 1 1 54 54 PHE C C 13 172.6 0.2 . 1 . . . A 54 PHE C . 18989 1 596 . 1 1 54 54 PHE CA C 13 55.5 0.2 . 1 . . . A 54 PHE CA . 18989 1 597 . 1 1 54 54 PHE CB C 13 41.7 0.2 . 1 . . . A 54 PHE CB . 18989 1 598 . 1 1 54 54 PHE CD1 C 13 132.5 0.2 . 3 . . . A 54 PHE CD1 . 18989 1 599 . 1 1 54 54 PHE CD2 C 13 132.5 0.2 . 3 . . . A 54 PHE CD2 . 18989 1 600 . 1 1 54 54 PHE N N 15 115.8 0.2 . 1 . . . A 54 PHE N . 18989 1 601 . 1 1 55 55 THR H H 1 8.09 0.02 . 1 . . . A 55 THR H . 18989 1 602 . 1 1 55 55 THR HA H 1 4.77 0.02 . 1 . . . A 55 THR HA . 18989 1 603 . 1 1 55 55 THR HB H 1 1.89 0.02 . 1 . . . A 55 THR HB . 18989 1 604 . 1 1 55 55 THR HG21 H 1 0.72 0.02 . 1 . . . A 55 THR HG21 . 18989 1 605 . 1 1 55 55 THR HG22 H 1 0.72 0.02 . 1 . . . A 55 THR HG22 . 18989 1 606 . 1 1 55 55 THR HG23 H 1 0.72 0.02 . 1 . . . A 55 THR HG23 . 18989 1 607 . 1 1 55 55 THR C C 13 171.8 0.2 . 1 . . . A 55 THR C . 18989 1 608 . 1 1 55 55 THR CA C 13 61 0.2 . 1 . . . A 55 THR CA . 18989 1 609 . 1 1 55 55 THR CB C 13 70.2 0.2 . 1 . . . A 55 THR CB . 18989 1 610 . 1 1 55 55 THR CG2 C 13 22.2 0.2 . 1 . . . A 55 THR CG2 . 18989 1 611 . 1 1 55 55 THR N N 15 118.3 0.2 . 1 . . . A 55 THR N . 18989 1 612 . 1 1 56 56 GLY H H 1 8.38 0.02 . 1 . . . A 56 GLY H . 18989 1 613 . 1 1 56 56 GLY HA2 H 1 3.28 0.02 . 2 . . . A 56 GLY HA2 . 18989 1 614 . 1 1 56 56 GLY HA3 H 1 3.28 0.02 . 2 . . . A 56 GLY HA3 . 18989 1 615 . 1 1 56 56 GLY C C 13 171.1 0.2 . 1 . . . A 56 GLY C . 18989 1 616 . 1 1 56 56 GLY CA C 13 44.3 0.2 . 1 . . . A 56 GLY CA . 18989 1 617 . 1 1 56 56 GLY N N 15 110.5 0.2 . 1 . . . A 56 GLY N . 18989 1 618 . 1 1 57 57 ARG H H 1 8.82 0.02 . 1 . . . A 57 ARG H . 18989 1 619 . 1 1 57 57 ARG HA H 1 4.66 0.02 . 1 . . . A 57 ARG HA . 18989 1 620 . 1 1 57 57 ARG HB2 H 1 1.98 0.02 . 2 . . . A 57 ARG HB2 . 18989 1 621 . 1 1 57 57 ARG HB3 H 1 1.79 0.02 . 2 . . . A 57 ARG HB3 . 18989 1 622 . 1 1 57 57 ARG HG2 H 1 1.5 0.02 . 2 . . . A 57 ARG HG2 . 18989 1 623 . 1 1 57 57 ARG HG3 H 1 1.32 0.02 . 2 . . . A 57 ARG HG3 . 18989 1 624 . 1 1 57 57 ARG HD2 H 1 3.22 0.02 . 2 . . . A 57 ARG HD2 . 18989 1 625 . 1 1 57 57 ARG HD3 H 1 3.22 0.02 . 2 . . . A 57 ARG HD3 . 18989 1 626 . 1 1 57 57 ARG C C 13 172.9 0.2 . 1 . . . A 57 ARG C . 18989 1 627 . 1 1 57 57 ARG CA C 13 55.3 0.2 . 1 . . . A 57 ARG CA . 18989 1 628 . 1 1 57 57 ARG CB C 13 32.5 0.2 . 1 . . . A 57 ARG CB . 18989 1 629 . 1 1 57 57 ARG CG C 13 28.1 0.2 . 1 . . . A 57 ARG CG . 18989 1 630 . 1 1 57 57 ARG CD C 13 43.7 0.2 . 1 . . . A 57 ARG CD . 18989 1 631 . 1 1 57 57 ARG N N 15 123.8 0.2 . 1 . . . A 57 ARG N . 18989 1 632 . 1 1 58 58 ASN H H 1 8.81 0.02 . 1 . . . A 58 ASN H . 18989 1 633 . 1 1 58 58 ASN HA H 1 5.06 0.02 . 1 . . . A 58 ASN HA . 18989 1 634 . 1 1 58 58 ASN HB2 H 1 0.9 0.02 . 2 . . . A 58 ASN HB2 . 18989 1 635 . 1 1 58 58 ASN HB3 H 1 0.4 0.02 . 2 . . . A 58 ASN HB3 . 18989 1 636 . 1 1 58 58 ASN C C 13 173.1 0.2 . 1 . . . A 58 ASN C . 18989 1 637 . 1 1 58 58 ASN CA C 13 51.9 0.2 . 1 . . . A 58 ASN CA . 18989 1 638 . 1 1 58 58 ASN CB C 13 38.8 0.2 . 1 . . . A 58 ASN CB . 18989 1 639 . 1 1 58 58 ASN N N 15 127.2 0.2 . 1 . . . A 58 ASN N . 18989 1 640 . 1 1 59 59 VAL H H 1 8.71 0.02 . 1 . . . A 59 VAL H . 18989 1 641 . 1 1 59 59 VAL HA H 1 4.68 0.02 . 1 . . . A 59 VAL HA . 18989 1 642 . 1 1 59 59 VAL HB H 1 1.83 0.02 . 1 . . . A 59 VAL HB . 18989 1 643 . 1 1 59 59 VAL HG11 H 1 0.81 0.02 . 2 . . . A 59 VAL HG11 . 18989 1 644 . 1 1 59 59 VAL HG12 H 1 0.81 0.02 . 2 . . . A 59 VAL HG12 . 18989 1 645 . 1 1 59 59 VAL HG13 H 1 0.81 0.02 . 2 . . . A 59 VAL HG13 . 18989 1 646 . 1 1 59 59 VAL HG21 H 1 0.87 0.02 . 2 . . . A 59 VAL HG21 . 18989 1 647 . 1 1 59 59 VAL HG22 H 1 0.87 0.02 . 2 . . . A 59 VAL HG22 . 18989 1 648 . 1 1 59 59 VAL HG23 H 1 0.87 0.02 . 2 . . . A 59 VAL HG23 . 18989 1 649 . 1 1 59 59 VAL C C 13 175.1 0.2 . 1 . . . A 59 VAL C . 18989 1 650 . 1 1 59 59 VAL CA C 13 62.4 0.2 . 1 . . . A 59 VAL CA . 18989 1 651 . 1 1 59 59 VAL CB C 13 35.8 0.2 . 1 . . . A 59 VAL CB . 18989 1 652 . 1 1 59 59 VAL CG1 C 13 20.8 0.2 . 2 . . . A 59 VAL CG1 . 18989 1 653 . 1 1 59 59 VAL CG2 C 13 21.1 0.2 . 2 . . . A 59 VAL CG2 . 18989 1 654 . 1 1 59 59 VAL N N 15 121.4 0.2 . 1 . . . A 59 VAL N . 18989 1 655 . 1 1 60 60 THR H H 1 8.63 0.02 . 1 . . . A 60 THR H . 18989 1 656 . 1 1 60 60 THR HA H 1 5 0.02 . 1 . . . A 60 THR HA . 18989 1 657 . 1 1 60 60 THR HB H 1 4.79 0.02 . 1 . . . A 60 THR HB . 18989 1 658 . 1 1 60 60 THR HG21 H 1 1.52 0.02 . 1 . . . A 60 THR HG21 . 18989 1 659 . 1 1 60 60 THR HG22 H 1 1.52 0.02 . 1 . . . A 60 THR HG22 . 18989 1 660 . 1 1 60 60 THR HG23 H 1 1.52 0.02 . 1 . . . A 60 THR HG23 . 18989 1 661 . 1 1 60 60 THR CA C 13 58.9 0.2 . 1 . . . A 60 THR CA . 18989 1 662 . 1 1 60 60 THR CB C 13 70.2 0.2 . 1 . . . A 60 THR CB . 18989 1 663 . 1 1 60 60 THR CG2 C 13 22.9 0.2 . 1 . . . A 60 THR CG2 . 18989 1 664 . 1 1 60 60 THR N N 15 118 0.2 . 1 . . . A 60 THR N . 18989 1 665 . 1 1 61 61 PRO HA H 1 4.28 0.02 . 1 . . . A 61 PRO HA . 18989 1 666 . 1 1 61 61 PRO HB2 H 1 2.42 0.02 . 2 . . . A 61 PRO HB2 . 18989 1 667 . 1 1 61 61 PRO HB3 H 1 1.88 0.02 . 2 . . . A 61 PRO HB3 . 18989 1 668 . 1 1 61 61 PRO HG2 H 1 2.19 0.02 . 2 . . . A 61 PRO HG2 . 18989 1 669 . 1 1 61 61 PRO HG3 H 1 1.98 0.02 . 2 . . . A 61 PRO HG3 . 18989 1 670 . 1 1 61 61 PRO HD2 H 1 3.88 0.02 . 2 . . . A 61 PRO HD2 . 18989 1 671 . 1 1 61 61 PRO HD3 H 1 3.88 0.02 . 2 . . . A 61 PRO HD3 . 18989 1 672 . 1 1 61 61 PRO C C 13 177.7 0.2 . 1 . . . A 61 PRO C . 18989 1 673 . 1 1 61 61 PRO CA C 13 65.5 0.2 . 1 . . . A 61 PRO CA . 18989 1 674 . 1 1 61 61 PRO CB C 13 31.8 0.2 . 1 . . . A 61 PRO CB . 18989 1 675 . 1 1 61 61 PRO CG C 13 28.4 0.2 . 1 . . . A 61 PRO CG . 18989 1 676 . 1 1 61 61 PRO CD C 13 50.6 0.2 . 1 . . . A 61 PRO CD . 18989 1 677 . 1 1 62 62 GLU H H 1 7.99 0.02 . 1 . . . A 62 GLU H . 18989 1 678 . 1 1 62 62 GLU HA H 1 4.28 0.02 . 1 . . . A 62 GLU HA . 18989 1 679 . 1 1 62 62 GLU HB2 H 1 2.01 0.02 . 2 . . . A 62 GLU HB2 . 18989 1 680 . 1 1 62 62 GLU HB3 H 1 1.96 0.02 . 2 . . . A 62 GLU HB3 . 18989 1 681 . 1 1 62 62 GLU HG2 H 1 2.3 0.02 . 2 . . . A 62 GLU HG2 . 18989 1 682 . 1 1 62 62 GLU HG3 H 1 2.22 0.02 . 2 . . . A 62 GLU HG3 . 18989 1 683 . 1 1 62 62 GLU C C 13 176.5 0.2 . 1 . . . A 62 GLU C . 18989 1 684 . 1 1 62 62 GLU CA C 13 57.6 0.2 . 1 . . . A 62 GLU CA . 18989 1 685 . 1 1 62 62 GLU CB C 13 31 0.2 . 1 . . . A 62 GLU CB . 18989 1 686 . 1 1 62 62 GLU CG C 13 36.7 0.2 . 1 . . . A 62 GLU CG . 18989 1 687 . 1 1 62 62 GLU N N 15 111.7 0.2 . 1 . . . A 62 GLU N . 18989 1 688 . 1 1 63 63 ARG H H 1 7.72 0.02 . 1 . . . A 63 ARG H . 18989 1 689 . 1 1 63 63 ARG HA H 1 4.69 0.02 . 1 . . . A 63 ARG HA . 18989 1 690 . 1 1 63 63 ARG HB2 H 1 1.87 0.02 . 2 . . . A 63 ARG HB2 . 18989 1 691 . 1 1 63 63 ARG HB3 H 1 1.74 0.02 . 2 . . . A 63 ARG HB3 . 18989 1 692 . 1 1 63 63 ARG HG2 H 1 1.63 0.02 . 2 . . . A 63 ARG HG2 . 18989 1 693 . 1 1 63 63 ARG HG3 H 1 1.49 0.02 . 2 . . . A 63 ARG HG3 . 18989 1 694 . 1 1 63 63 ARG HD2 H 1 2.83 0.02 . 2 . . . A 63 ARG HD2 . 18989 1 695 . 1 1 63 63 ARG HD3 H 1 2.72 0.02 . 2 . . . A 63 ARG HD3 . 18989 1 696 . 1 1 63 63 ARG C C 13 174 0.2 . 1 . . . A 63 ARG C . 18989 1 697 . 1 1 63 63 ARG CA C 13 56.7 0.2 . 1 . . . A 63 ARG CA . 18989 1 698 . 1 1 63 63 ARG CB C 13 33.7 0.2 . 1 . . . A 63 ARG CB . 18989 1 699 . 1 1 63 63 ARG CG C 13 27.1 0.2 . 1 . . . A 63 ARG CG . 18989 1 700 . 1 1 63 63 ARG CD C 13 43.4 0.2 . 1 . . . A 63 ARG CD . 18989 1 701 . 1 1 63 63 ARG N N 15 118 0.2 . 1 . . . A 63 ARG N . 18989 1 702 . 1 1 64 64 THR H H 1 8.68 0.02 . 1 . . . A 64 THR H . 18989 1 703 . 1 1 64 64 THR HA H 1 5.78 0.02 . 1 . . . A 64 THR HA . 18989 1 704 . 1 1 64 64 THR HB H 1 4.11 0.02 . 1 . . . A 64 THR HB . 18989 1 705 . 1 1 64 64 THR HG21 H 1 1.26 0.02 . 1 . . . A 64 THR HG21 . 18989 1 706 . 1 1 64 64 THR HG22 H 1 1.26 0.02 . 1 . . . A 64 THR HG22 . 18989 1 707 . 1 1 64 64 THR HG23 H 1 1.26 0.02 . 1 . . . A 64 THR HG23 . 18989 1 708 . 1 1 64 64 THR C C 13 174 0.2 . 1 . . . A 64 THR C . 18989 1 709 . 1 1 64 64 THR CA C 13 61.6 0.2 . 1 . . . A 64 THR CA . 18989 1 710 . 1 1 64 64 THR CB C 13 71.7 0.2 . 1 . . . A 64 THR CB . 18989 1 711 . 1 1 64 64 THR CG2 C 13 20.8 0.2 . 1 . . . A 64 THR CG2 . 18989 1 712 . 1 1 64 64 THR N N 15 120.7 0.2 . 1 . . . A 64 THR N . 18989 1 713 . 1 1 65 65 TRP H H 1 9.41 0.02 . 1 . . . A 65 TRP H . 18989 1 714 . 1 1 65 65 TRP HA H 1 5.17 0.02 . 1 . . . A 65 TRP HA . 18989 1 715 . 1 1 65 65 TRP HB2 H 1 3.35 0.02 . 2 . . . A 65 TRP HB2 . 18989 1 716 . 1 1 65 65 TRP HB3 H 1 3.35 0.02 . 2 . . . A 65 TRP HB3 . 18989 1 717 . 1 1 65 65 TRP HD1 H 1 7.03 0.02 . 1 . . . A 65 TRP HD1 . 18989 1 718 . 1 1 65 65 TRP HE1 H 1 10.07 0.02 . 1 . . . A 65 TRP HE1 . 18989 1 719 . 1 1 65 65 TRP HZ2 H 1 7.42 0.02 . 1 . . . A 65 TRP HZ2 . 18989 1 720 . 1 1 65 65 TRP HH2 H 1 7.03 0.02 . 1 . . . A 65 TRP HH2 . 18989 1 721 . 1 1 65 65 TRP C C 13 172.8 0.2 . 1 . . . A 65 TRP C . 18989 1 722 . 1 1 65 65 TRP CA C 13 57.3 0.2 . 1 . . . A 65 TRP CA . 18989 1 723 . 1 1 65 65 TRP CB C 13 32.9 0.2 . 1 . . . A 65 TRP CB . 18989 1 724 . 1 1 65 65 TRP CD1 C 13 127.9 0.2 . 1 . . . A 65 TRP CD1 . 18989 1 725 . 1 1 65 65 TRP CZ2 C 13 114.5 0.2 . 1 . . . A 65 TRP CZ2 . 18989 1 726 . 1 1 65 65 TRP CH2 C 13 122.3 0.2 . 1 . . . A 65 TRP CH2 . 18989 1 727 . 1 1 65 65 TRP N N 15 128 0.2 . 1 . . . A 65 TRP N . 18989 1 728 . 1 1 65 65 TRP NE1 N 15 128.9 0.2 . 1 . . . A 65 TRP NE1 . 18989 1 729 . 1 1 66 66 GLU H H 1 8.81 0.02 . 1 . . . A 66 GLU H . 18989 1 730 . 1 1 66 66 GLU HA H 1 5.59 0.02 . 1 . . . A 66 GLU HA . 18989 1 731 . 1 1 66 66 GLU HB2 H 1 1.93 0.02 . 2 . . . A 66 GLU HB2 . 18989 1 732 . 1 1 66 66 GLU HB3 H 1 1.81 0.02 . 2 . . . A 66 GLU HB3 . 18989 1 733 . 1 1 66 66 GLU HG2 H 1 2.37 0.02 . 2 . . . A 66 GLU HG2 . 18989 1 734 . 1 1 66 66 GLU HG3 H 1 2.13 0.02 . 2 . . . A 66 GLU HG3 . 18989 1 735 . 1 1 66 66 GLU C C 13 177.3 0.2 . 1 . . . A 66 GLU C . 18989 1 736 . 1 1 66 66 GLU CA C 13 54.2 0.2 . 1 . . . A 66 GLU CA . 18989 1 737 . 1 1 66 66 GLU CB C 13 32.7 0.2 . 1 . . . A 66 GLU CB . 18989 1 738 . 1 1 66 66 GLU CG C 13 37.2 0.2 . 1 . . . A 66 GLU CG . 18989 1 739 . 1 1 66 66 GLU N N 15 120.8 0.2 . 1 . . . A 66 GLU N . 18989 1 740 . 1 1 67 67 THR H H 1 8.91 0.02 . 1 . . . A 67 THR H . 18989 1 741 . 1 1 67 67 THR HA H 1 4.75 0.02 . 1 . . . A 67 THR HA . 18989 1 742 . 1 1 67 67 THR HB H 1 4.03 0.02 . 1 . . . A 67 THR HB . 18989 1 743 . 1 1 67 67 THR HG21 H 1 1.3 0.02 . 1 . . . A 67 THR HG21 . 18989 1 744 . 1 1 67 67 THR HG22 H 1 1.3 0.02 . 1 . . . A 67 THR HG22 . 18989 1 745 . 1 1 67 67 THR HG23 H 1 1.3 0.02 . 1 . . . A 67 THR HG23 . 18989 1 746 . 1 1 67 67 THR C C 13 173.3 0.2 . 1 . . . A 67 THR C . 18989 1 747 . 1 1 67 67 THR CA C 13 59.5 0.2 . 1 . . . A 67 THR CA . 18989 1 748 . 1 1 67 67 THR CB C 13 71.5 0.2 . 1 . . . A 67 THR CB . 18989 1 749 . 1 1 67 67 THR CG2 C 13 22.8 0.2 . 1 . . . A 67 THR CG2 . 18989 1 750 . 1 1 67 67 THR N N 15 113.7 0.2 . 1 . . . A 67 THR N . 18989 1 751 . 1 1 68 68 ARG H H 1 9 0.02 . 1 . . . A 68 ARG H . 18989 1 752 . 1 1 68 68 ARG HA H 1 4.86 0.02 . 1 . . . A 68 ARG HA . 18989 1 753 . 1 1 68 68 ARG HB2 H 1 1.86 0.02 . 2 . . . A 68 ARG HB2 . 18989 1 754 . 1 1 68 68 ARG HB3 H 1 1.7 0.02 . 2 . . . A 68 ARG HB3 . 18989 1 755 . 1 1 68 68 ARG HG2 H 1 1.68 0.02 . 2 . . . A 68 ARG HG2 . 18989 1 756 . 1 1 68 68 ARG HG3 H 1 1.68 0.02 . 2 . . . A 68 ARG HG3 . 18989 1 757 . 1 1 68 68 ARG HD2 H 1 3.16 0.02 . 2 . . . A 68 ARG HD2 . 18989 1 758 . 1 1 68 68 ARG HD3 H 1 3.09 0.02 . 2 . . . A 68 ARG HD3 . 18989 1 759 . 1 1 68 68 ARG C C 13 175.7 0.2 . 1 . . . A 68 ARG C . 18989 1 760 . 1 1 68 68 ARG CA C 13 55 0.2 . 1 . . . A 68 ARG CA . 18989 1 761 . 1 1 68 68 ARG CB C 13 31.7 0.2 . 1 . . . A 68 ARG CB . 18989 1 762 . 1 1 68 68 ARG CG C 13 27.1 0.2 . 1 . . . A 68 ARG CG . 18989 1 763 . 1 1 68 68 ARG CD C 13 42.8 0.2 . 1 . . . A 68 ARG CD . 18989 1 764 . 1 1 68 68 ARG N N 15 125.3 0.2 . 1 . . . A 68 ARG N . 18989 1 765 . 1 1 69 69 SER H H 1 8.69 0.02 . 1 . . . A 69 SER H . 18989 1 766 . 1 1 69 69 SER HA H 1 5.57 0.02 . 1 . . . A 69 SER HA . 18989 1 767 . 1 1 69 69 SER HB2 H 1 3.01 0.02 . 2 . . . A 69 SER HB2 . 18989 1 768 . 1 1 69 69 SER HB3 H 1 1.21 0.02 . 2 . . . A 69 SER HB3 . 18989 1 769 . 1 1 69 69 SER C C 13 172.2 0.2 . 1 . . . A 69 SER C . 18989 1 770 . 1 1 69 69 SER CA C 13 58 0.2 . 1 . . . A 69 SER CA . 18989 1 771 . 1 1 69 69 SER CB C 13 66.7 0.2 . 1 . . . A 69 SER CB . 18989 1 772 . 1 1 69 69 SER N N 15 122 0.2 . 1 . . . A 69 SER N . 18989 1 773 . 1 1 70 70 GLU H H 1 8.85 0.02 . 1 . . . A 70 GLU H . 18989 1 774 . 1 1 70 70 GLU HA H 1 5.2 0.02 . 1 . . . A 70 GLU HA . 18989 1 775 . 1 1 70 70 GLU HB2 H 1 1.94 0.02 . 2 . . . A 70 GLU HB2 . 18989 1 776 . 1 1 70 70 GLU HB3 H 1 1.79 0.02 . 2 . . . A 70 GLU HB3 . 18989 1 777 . 1 1 70 70 GLU HG2 H 1 1.94 0.02 . 2 . . . A 70 GLU HG2 . 18989 1 778 . 1 1 70 70 GLU HG3 H 1 1.65 0.02 . 2 . . . A 70 GLU HG3 . 18989 1 779 . 1 1 70 70 GLU C C 13 176 0.2 . 1 . . . A 70 GLU C . 18989 1 780 . 1 1 70 70 GLU CA C 13 53.6 0.2 . 1 . . . A 70 GLU CA . 18989 1 781 . 1 1 70 70 GLU CB C 13 34.7 0.2 . 1 . . . A 70 GLU CB . 18989 1 782 . 1 1 70 70 GLU CG C 13 36.1 0.2 . 1 . . . A 70 GLU CG . 18989 1 783 . 1 1 70 70 GLU N N 15 121.9 0.2 . 1 . . . A 70 GLU N . 18989 1 784 . 1 1 71 71 VAL H H 1 9.42 0.02 . 1 . . . A 71 VAL H . 18989 1 785 . 1 1 71 71 VAL HA H 1 4.25 0.02 . 1 . . . A 71 VAL HA . 18989 1 786 . 1 1 71 71 VAL HB H 1 2.69 0.02 . 1 . . . A 71 VAL HB . 18989 1 787 . 1 1 71 71 VAL HG11 H 1 0.94 0.02 . 2 . . . A 71 VAL HG11 . 18989 1 788 . 1 1 71 71 VAL HG12 H 1 0.94 0.02 . 2 . . . A 71 VAL HG12 . 18989 1 789 . 1 1 71 71 VAL HG13 H 1 0.94 0.02 . 2 . . . A 71 VAL HG13 . 18989 1 790 . 1 1 71 71 VAL HG21 H 1 1.62 0.02 . 2 . . . A 71 VAL HG21 . 18989 1 791 . 1 1 71 71 VAL HG22 H 1 1.62 0.02 . 2 . . . A 71 VAL HG22 . 18989 1 792 . 1 1 71 71 VAL HG23 H 1 1.62 0.02 . 2 . . . A 71 VAL HG23 . 18989 1 793 . 1 1 71 71 VAL C C 13 177.6 0.2 . 1 . . . A 71 VAL C . 18989 1 794 . 1 1 71 71 VAL CA C 13 64.8 0.2 . 1 . . . A 71 VAL CA . 18989 1 795 . 1 1 71 71 VAL CB C 13 32.2 0.2 . 1 . . . A 71 VAL CB . 18989 1 796 . 1 1 71 71 VAL CG1 C 13 22.8 0.2 . 2 . . . A 71 VAL CG1 . 18989 1 797 . 1 1 71 71 VAL CG2 C 13 23.6 0.2 . 2 . . . A 71 VAL CG2 . 18989 1 798 . 1 1 71 71 VAL N N 15 126.6 0.2 . 1 . . . A 71 VAL N . 18989 1 799 . 1 1 72 72 ILE H H 1 9.1 0.02 . 1 . . . A 72 ILE H . 18989 1 800 . 1 1 72 72 ILE HA H 1 4.73 0.02 . 1 . . . A 72 ILE HA . 18989 1 801 . 1 1 72 72 ILE HB H 1 2.07 0.02 . 1 . . . A 72 ILE HB . 18989 1 802 . 1 1 72 72 ILE HG12 H 1 1.3 0.02 . 2 . . . A 72 ILE HG12 . 18989 1 803 . 1 1 72 72 ILE HG13 H 1 0.76 0.02 . 2 . . . A 72 ILE HG13 . 18989 1 804 . 1 1 72 72 ILE HG21 H 1 1.02 0.02 . 1 . . . A 72 ILE HG21 . 18989 1 805 . 1 1 72 72 ILE HG22 H 1 1.02 0.02 . 1 . . . A 72 ILE HG22 . 18989 1 806 . 1 1 72 72 ILE HG23 H 1 1.02 0.02 . 1 . . . A 72 ILE HG23 . 18989 1 807 . 1 1 72 72 ILE HD11 H 1 0.74 0.02 . 1 . . . A 72 ILE HD11 . 18989 1 808 . 1 1 72 72 ILE HD12 H 1 0.74 0.02 . 1 . . . A 72 ILE HD12 . 18989 1 809 . 1 1 72 72 ILE HD13 H 1 0.74 0.02 . 1 . . . A 72 ILE HD13 . 18989 1 810 . 1 1 72 72 ILE C C 13 175.2 0.2 . 1 . . . A 72 ILE C . 18989 1 811 . 1 1 72 72 ILE CA C 13 62 0.2 . 1 . . . A 72 ILE CA . 18989 1 812 . 1 1 72 72 ILE CB C 13 39.6 0.2 . 1 . . . A 72 ILE CB . 18989 1 813 . 1 1 72 72 ILE CG1 C 13 26 0.2 . 1 . . . A 72 ILE CG1 . 18989 1 814 . 1 1 72 72 ILE CG2 C 13 18.6 0.2 . 1 . . . A 72 ILE CG2 . 18989 1 815 . 1 1 72 72 ILE CD1 C 13 13.9 0.2 . 1 . . . A 72 ILE CD1 . 18989 1 816 . 1 1 72 72 ILE N N 15 123.2 0.2 . 1 . . . A 72 ILE N . 18989 1 817 . 1 1 73 73 VAL H H 1 7.57 0.02 . 1 . . . A 73 VAL H . 18989 1 818 . 1 1 73 73 VAL HA H 1 4.2 0.02 . 1 . . . A 73 VAL HA . 18989 1 819 . 1 1 73 73 VAL HB H 1 2.09 0.02 . 1 . . . A 73 VAL HB . 18989 1 820 . 1 1 73 73 VAL HG11 H 1 0.94 0.02 . 2 . . . A 73 VAL HG11 . 18989 1 821 . 1 1 73 73 VAL HG12 H 1 0.94 0.02 . 2 . . . A 73 VAL HG12 . 18989 1 822 . 1 1 73 73 VAL HG13 H 1 0.94 0.02 . 2 . . . A 73 VAL HG13 . 18989 1 823 . 1 1 73 73 VAL HG21 H 1 0.97 0.02 . 2 . . . A 73 VAL HG21 . 18989 1 824 . 1 1 73 73 VAL HG22 H 1 0.97 0.02 . 2 . . . A 73 VAL HG22 . 18989 1 825 . 1 1 73 73 VAL HG23 H 1 0.97 0.02 . 2 . . . A 73 VAL HG23 . 18989 1 826 . 1 1 73 73 VAL C C 13 172 0.2 . 1 . . . A 73 VAL C . 18989 1 827 . 1 1 73 73 VAL CA C 13 62.1 0.2 . 1 . . . A 73 VAL CA . 18989 1 828 . 1 1 73 73 VAL CB C 13 34.7 0.2 . 1 . . . A 73 VAL CB . 18989 1 829 . 1 1 73 73 VAL CG1 C 13 21 0.2 . 2 . . . A 73 VAL CG1 . 18989 1 830 . 1 1 73 73 VAL CG2 C 13 21.5 0.2 . 2 . . . A 73 VAL CG2 . 18989 1 831 . 1 1 73 73 VAL N N 15 121.7 0.2 . 1 . . . A 73 VAL N . 18989 1 832 . 1 1 74 74 ALA H H 1 8.94 0.02 . 1 . . . A 74 ALA H . 18989 1 833 . 1 1 74 74 ALA HA H 1 5.32 0.02 . 1 . . . A 74 ALA HA . 18989 1 834 . 1 1 74 74 ALA HB1 H 1 1.46 0.02 . 1 . . . A 74 ALA HB1 . 18989 1 835 . 1 1 74 74 ALA HB2 H 1 1.46 0.02 . 1 . . . A 74 ALA HB2 . 18989 1 836 . 1 1 74 74 ALA HB3 H 1 1.46 0.02 . 1 . . . A 74 ALA HB3 . 18989 1 837 . 1 1 74 74 ALA C C 13 174.9 0.2 . 1 . . . A 74 ALA C . 18989 1 838 . 1 1 74 74 ALA CA C 13 52.7 0.2 . 1 . . . A 74 ALA CA . 18989 1 839 . 1 1 74 74 ALA CB C 13 18.3 0.2 . 1 . . . A 74 ALA CB . 18989 1 840 . 1 1 74 74 ALA N N 15 131.1 0.2 . 1 . . . A 74 ALA N . 18989 1 841 . 1 1 75 75 GLU H H 1 9.46 0.02 . 1 . . . A 75 GLU H . 18989 1 842 . 1 1 75 75 GLU HA H 1 4.97 0.02 . 1 . . . A 75 GLU HA . 18989 1 843 . 1 1 75 75 GLU HB2 H 1 2.04 0.02 . 2 . . . A 75 GLU HB2 . 18989 1 844 . 1 1 75 75 GLU HB3 H 1 2.04 0.02 . 2 . . . A 75 GLU HB3 . 18989 1 845 . 1 1 75 75 GLU HG2 H 1 2.26 0.02 . 2 . . . A 75 GLU HG2 . 18989 1 846 . 1 1 75 75 GLU HG3 H 1 2.26 0.02 . 2 . . . A 75 GLU HG3 . 18989 1 847 . 1 1 75 75 GLU CA C 13 52.1 0.2 . 1 . . . A 75 GLU CA . 18989 1 848 . 1 1 75 75 GLU CB C 13 31.3 0.2 . 1 . . . A 75 GLU CB . 18989 1 849 . 1 1 75 75 GLU CG C 13 35.5 0.2 . 1 . . . A 75 GLU CG . 18989 1 850 . 1 1 75 75 GLU N N 15 126.1 0.2 . 1 . . . A 75 GLU N . 18989 1 851 . 1 1 76 76 PRO HA H 1 2.62 0.02 . 1 . . . A 76 PRO HA . 18989 1 852 . 1 1 76 76 PRO HB2 H 1 1.97 0.02 . 2 . . . A 76 PRO HB2 . 18989 1 853 . 1 1 76 76 PRO HB3 H 1 1.62 0.02 . 2 . . . A 76 PRO HB3 . 18989 1 854 . 1 1 76 76 PRO HG2 H 1 2.1 0.02 . 2 . . . A 76 PRO HG2 . 18989 1 855 . 1 1 76 76 PRO HG3 H 1 1.88 0.02 . 2 . . . A 76 PRO HG3 . 18989 1 856 . 1 1 76 76 PRO HD2 H 1 4.18 0.02 . 2 . . . A 76 PRO HD2 . 18989 1 857 . 1 1 76 76 PRO HD3 H 1 3.68 0.02 . 2 . . . A 76 PRO HD3 . 18989 1 858 . 1 1 76 76 PRO CA C 13 63.9 0.2 . 1 . . . A 76 PRO CA . 18989 1 859 . 1 1 76 76 PRO CB C 13 31.9 0.2 . 1 . . . A 76 PRO CB . 18989 1 860 . 1 1 76 76 PRO CG C 13 27.4 0.2 . 1 . . . A 76 PRO CG . 18989 1 861 . 1 1 76 76 PRO CD C 13 51.5 0.2 . 1 . . . A 76 PRO CD . 18989 1 862 . 1 1 77 77 ASN H H 1 7.03 0.02 . 1 . . . A 77 ASN H . 18989 1 863 . 1 1 77 77 ASN HA H 1 3.76 0.02 . 1 . . . A 77 ASN HA . 18989 1 864 . 1 1 77 77 ASN HB2 H 1 3.06 0.02 . 2 . . . A 77 ASN HB2 . 18989 1 865 . 1 1 77 77 ASN HB3 H 1 2.73 0.02 . 2 . . . A 77 ASN HB3 . 18989 1 866 . 1 1 77 77 ASN HD21 H 1 7.29 0.02 . 2 . . . A 77 ASN HD21 . 18989 1 867 . 1 1 77 77 ASN HD22 H 1 6.60 0.02 . 2 . . . A 77 ASN HD22 . 18989 1 868 . 1 1 77 77 ASN C C 13 172.7 0.2 . 1 . . . A 77 ASN C . 18989 1 869 . 1 1 77 77 ASN CA C 13 55.1 0.2 . 1 . . . A 77 ASN CA . 18989 1 870 . 1 1 77 77 ASN CB C 13 36.9 0.2 . 1 . . . A 77 ASN CB . 18989 1 871 . 1 1 77 77 ASN ND2 N 15 110.7 0.2 . 1 . . . A 77 ASN ND2 . 18989 1 872 . 1 1 78 78 ARG H H 1 8.1 0.02 . 1 . . . A 78 ARG H . 18989 1 873 . 1 1 78 78 ARG HA H 1 4.9 0.02 . 1 . . . A 78 ARG HA . 18989 1 874 . 1 1 78 78 ARG HB2 H 1 1.77 0.02 . 2 . . . A 78 ARG HB2 . 18989 1 875 . 1 1 78 78 ARG HB3 H 1 1.6 0.02 . 2 . . . A 78 ARG HB3 . 18989 1 876 . 1 1 78 78 ARG HG2 H 1 1.69 0.02 . 2 . . . A 78 ARG HG2 . 18989 1 877 . 1 1 78 78 ARG HG3 H 1 1.69 0.02 . 2 . . . A 78 ARG HG3 . 18989 1 878 . 1 1 78 78 ARG HD2 H 1 3.34 0.02 . 2 . . . A 78 ARG HD2 . 18989 1 879 . 1 1 78 78 ARG HD3 H 1 3.34 0.02 . 2 . . . A 78 ARG HD3 . 18989 1 880 . 1 1 78 78 ARG C C 13 176 0.2 . 1 . . . A 78 ARG C . 18989 1 881 . 1 1 78 78 ARG CA C 13 58.3 0.2 . 1 . . . A 78 ARG CA . 18989 1 882 . 1 1 78 78 ARG CB C 13 34 0.2 . 1 . . . A 78 ARG CB . 18989 1 883 . 1 1 78 78 ARG CG C 13 27.3 0.2 . 1 . . . A 78 ARG CG . 18989 1 884 . 1 1 78 78 ARG CD C 13 43.4 0.2 . 1 . . . A 78 ARG CD . 18989 1 885 . 1 1 78 78 ARG N N 15 115.3 0.2 . 1 . . . A 78 ARG N . 18989 1 886 . 1 1 79 79 CYS H H 1 9.02 0.02 . 1 . . . A 79 CYS H . 18989 1 887 . 1 1 79 79 CYS HA H 1 5.67 0.02 . 1 . . . A 79 CYS HA . 18989 1 888 . 1 1 79 79 CYS HB2 H 1 3.06 0.02 . 2 . . . A 79 CYS HB2 . 18989 1 889 . 1 1 79 79 CYS HB3 H 1 2.79 0.02 . 2 . . . A 79 CYS HB3 . 18989 1 890 . 1 1 79 79 CYS C C 13 172.2 0.2 . 1 . . . A 79 CYS C . 18989 1 891 . 1 1 79 79 CYS CA C 13 58.2 0.2 . 1 . . . A 79 CYS CA . 18989 1 892 . 1 1 79 79 CYS CB C 13 29.5 0.2 . 1 . . . A 79 CYS CB . 18989 1 893 . 1 1 79 79 CYS N N 15 117.7 0.2 . 1 . . . A 79 CYS N . 18989 1 894 . 1 1 80 80 PHE H H 1 9.67 0.02 . 1 . . . A 80 PHE H . 18989 1 895 . 1 1 80 80 PHE HA H 1 5.52 0.02 . 1 . . . A 80 PHE HA . 18989 1 896 . 1 1 80 80 PHE HB2 H 1 3.21 0.02 . 2 . . . A 80 PHE HB2 . 18989 1 897 . 1 1 80 80 PHE HB3 H 1 2.85 0.02 . 2 . . . A 80 PHE HB3 . 18989 1 898 . 1 1 80 80 PHE HD1 H 1 7.45 0.02 . 3 . . . A 80 PHE HD1 . 18989 1 899 . 1 1 80 80 PHE HD2 H 1 7.45 0.02 . 3 . . . A 80 PHE HD2 . 18989 1 900 . 1 1 80 80 PHE C C 13 173.4 0.2 . 1 . . . A 80 PHE C . 18989 1 901 . 1 1 80 80 PHE CA C 13 57.9 0.2 . 1 . . . A 80 PHE CA . 18989 1 902 . 1 1 80 80 PHE CB C 13 43.8 0.2 . 1 . . . A 80 PHE CB . 18989 1 903 . 1 1 80 80 PHE CD1 C 13 132.1 0.2 . 3 . . . A 80 PHE CD1 . 18989 1 904 . 1 1 80 80 PHE CD2 C 13 132.1 0.2 . 3 . . . A 80 PHE CD2 . 18989 1 905 . 1 1 80 80 PHE N N 15 129.5 0.2 . 1 . . . A 80 PHE N . 18989 1 906 . 1 1 81 81 GLY H H 1 8.93 0.02 . 1 . . . A 81 GLY H . 18989 1 907 . 1 1 81 81 GLY HA2 H 1 5.37 0.02 . 2 . . . A 81 GLY HA2 . 18989 1 908 . 1 1 81 81 GLY HA3 H 1 3.79 0.02 . 2 . . . A 81 GLY HA3 . 18989 1 909 . 1 1 81 81 GLY C C 13 171.9 0.2 . 1 . . . A 81 GLY C . 18989 1 910 . 1 1 81 81 GLY CA C 13 46.6 0.2 . 1 . . . A 81 GLY CA . 18989 1 911 . 1 1 81 81 GLY N N 15 114.5 0.2 . 1 . . . A 81 GLY N . 18989 1 912 . 1 1 82 82 TRP H H 1 9.55 0.02 . 1 . . . A 82 TRP H . 18989 1 913 . 1 1 82 82 TRP HA H 1 5.79 0.02 . 1 . . . A 82 TRP HA . 18989 1 914 . 1 1 82 82 TRP HB2 H 1 3.26 0.02 . 2 . . . A 82 TRP HB2 . 18989 1 915 . 1 1 82 82 TRP HB3 H 1 3.2 0.02 . 2 . . . A 82 TRP HB3 . 18989 1 916 . 1 1 82 82 TRP HD1 H 1 6.60 0.02 . 1 . . . A 82 TRP HD1 . 18989 1 917 . 1 1 82 82 TRP HE1 H 1 9.94 0.02 . 1 . . . A 82 TRP HE1 . 18989 1 918 . 1 1 82 82 TRP HZ2 H 1 6.90 0.02 . 1 . . . A 82 TRP HZ2 . 18989 1 919 . 1 1 82 82 TRP HH2 H 1 7.22 0.02 . 1 . . . A 82 TRP HH2 . 18989 1 920 . 1 1 82 82 TRP C C 13 171.5 0.2 . 1 . . . A 82 TRP C . 18989 1 921 . 1 1 82 82 TRP CA C 13 57.4 0.2 . 1 . . . A 82 TRP CA . 18989 1 922 . 1 1 82 82 TRP CB C 13 33.9 0.2 . 1 . . . A 82 TRP CB . 18989 1 923 . 1 1 82 82 TRP CZ2 C 13 114.7 0.2 . 1 . . . A 82 TRP CZ2 . 18989 1 924 . 1 1 82 82 TRP CH2 C 13 125.0 0.2 . 1 . . . A 82 TRP CH2 . 18989 1 925 . 1 1 82 82 TRP N N 15 121.7 0.2 . 1 . . . A 82 TRP N . 18989 1 926 . 1 1 82 82 TRP NE1 N 15 130.0 0.2 . 1 . . . A 82 TRP NE1 . 18989 1 927 . 1 1 83 83 SER H H 1 9.45 0.02 . 1 . . . A 83 SER H . 18989 1 928 . 1 1 83 83 SER HA H 1 5.68 0.02 . 1 . . . A 83 SER HA . 18989 1 929 . 1 1 83 83 SER HB2 H 1 3.76 0.02 . 2 . . . A 83 SER HB2 . 18989 1 930 . 1 1 83 83 SER HB3 H 1 3.76 0.02 . 2 . . . A 83 SER HB3 . 18989 1 931 . 1 1 83 83 SER C C 13 174.5 0.2 . 1 . . . A 83 SER C . 18989 1 932 . 1 1 83 83 SER CA C 13 54.8 0.2 . 1 . . . A 83 SER CA . 18989 1 933 . 1 1 83 83 SER CB C 13 66.7 0.2 . 1 . . . A 83 SER CB . 18989 1 934 . 1 1 83 83 SER N N 15 113.6 0.2 . 1 . . . A 83 SER N . 18989 1 935 . 1 1 84 84 VAL H H 1 9.22 0.02 . 1 . . . A 84 VAL H . 18989 1 936 . 1 1 84 84 VAL HA H 1 4.85 0.02 . 1 . . . A 84 VAL HA . 18989 1 937 . 1 1 84 84 VAL HB H 1 2.17 0.02 . 1 . . . A 84 VAL HB . 18989 1 938 . 1 1 84 84 VAL HG11 H 1 1.33 0.02 . 2 . . . A 84 VAL HG11 . 18989 1 939 . 1 1 84 84 VAL HG12 H 1 1.33 0.02 . 2 . . . A 84 VAL HG12 . 18989 1 940 . 1 1 84 84 VAL HG13 H 1 1.33 0.02 . 2 . . . A 84 VAL HG13 . 18989 1 941 . 1 1 84 84 VAL HG21 H 1 1.42 0.02 . 2 . . . A 84 VAL HG21 . 18989 1 942 . 1 1 84 84 VAL HG22 H 1 1.42 0.02 . 2 . . . A 84 VAL HG22 . 18989 1 943 . 1 1 84 84 VAL HG23 H 1 1.42 0.02 . 2 . . . A 84 VAL HG23 . 18989 1 944 . 1 1 84 84 VAL C C 13 176.5 0.2 . 1 . . . A 84 VAL C . 18989 1 945 . 1 1 84 84 VAL CA C 13 61.4 0.2 . 1 . . . A 84 VAL CA . 18989 1 946 . 1 1 84 84 VAL CB C 13 34.6 0.2 . 1 . . . A 84 VAL CB . 18989 1 947 . 1 1 84 84 VAL CG1 C 13 21.9 0.2 . 2 . . . A 84 VAL CG1 . 18989 1 948 . 1 1 84 84 VAL CG2 C 13 22.1 0.2 . 2 . . . A 84 VAL CG2 . 18989 1 949 . 1 1 84 84 VAL N N 15 125.4 0.2 . 1 . . . A 84 VAL N . 18989 1 950 . 1 1 85 85 THR H H 1 8.62 0.02 . 1 . . . A 85 THR H . 18989 1 951 . 1 1 85 85 THR HA H 1 3.72 0.02 . 1 . . . A 85 THR HA . 18989 1 952 . 1 1 85 85 THR HB H 1 4.36 0.02 . 1 . . . A 85 THR HB . 18989 1 953 . 1 1 85 85 THR HG21 H 1 1.15 0.02 . 1 . . . A 85 THR HG21 . 18989 1 954 . 1 1 85 85 THR HG22 H 1 1.15 0.02 . 1 . . . A 85 THR HG22 . 18989 1 955 . 1 1 85 85 THR HG23 H 1 1.15 0.02 . 1 . . . A 85 THR HG23 . 18989 1 956 . 1 1 85 85 THR C C 13 173.5 0.2 . 1 . . . A 85 THR C . 18989 1 957 . 1 1 85 85 THR CA C 13 62.9 0.2 . 1 . . . A 85 THR CA . 18989 1 958 . 1 1 85 85 THR CB C 13 66.6 0.2 . 1 . . . A 85 THR CB . 18989 1 959 . 1 1 85 85 THR CG2 C 13 24.4 0.2 . 1 . . . A 85 THR CG2 . 18989 1 960 . 1 1 85 85 THR N N 15 120.3 0.2 . 1 . . . A 85 THR N . 18989 1 961 . 1 1 86 86 ASP H H 1 8.79 0.02 . 1 . . . A 86 ASP H . 18989 1 962 . 1 1 86 86 ASP HA H 1 4.22 0.02 . 1 . . . A 86 ASP HA . 18989 1 963 . 1 1 86 86 ASP HB2 H 1 2.78 0.02 . 2 . . . A 86 ASP HB2 . 18989 1 964 . 1 1 86 86 ASP HB3 H 1 2.48 0.02 . 2 . . . A 86 ASP HB3 . 18989 1 965 . 1 1 86 86 ASP C C 13 177.1 0.2 . 1 . . . A 86 ASP C . 18989 1 966 . 1 1 86 86 ASP CA C 13 54.7 0.2 . 1 . . . A 86 ASP CA . 18989 1 967 . 1 1 86 86 ASP CB C 13 39.7 0.2 . 1 . . . A 86 ASP CB . 18989 1 968 . 1 1 86 86 ASP N N 15 119 0.2 . 1 . . . A 86 ASP N . 18989 1 969 . 1 1 87 87 GLY H H 1 7.58 0.02 . 1 . . . A 87 GLY H . 18989 1 970 . 1 1 87 87 GLY HA2 H 1 4.11 0.02 . 2 . . . A 87 GLY HA2 . 18989 1 971 . 1 1 87 87 GLY HA3 H 1 3.5 0.02 . 2 . . . A 87 GLY HA3 . 18989 1 972 . 1 1 87 87 GLY C C 13 175 0.2 . 1 . . . A 87 GLY C . 18989 1 973 . 1 1 87 87 GLY CA C 13 45.6 0.2 . 1 . . . A 87 GLY CA . 18989 1 974 . 1 1 87 87 GLY N N 15 103.4 0.2 . 1 . . . A 87 GLY N . 18989 1 975 . 1 1 88 88 ASN H H 1 8.02 0.02 . 1 . . . A 88 ASN H . 18989 1 976 . 1 1 88 88 ASN HA H 1 4.11 0.02 . 1 . . . A 88 ASN HA . 18989 1 977 . 1 1 88 88 ASN HB2 H 1 3.02 0.02 . 2 . . . A 88 ASN HB2 . 18989 1 978 . 1 1 88 88 ASN HB3 H 1 2.61 0.02 . 2 . . . A 88 ASN HB3 . 18989 1 979 . 1 1 88 88 ASN C C 13 174.5 0.2 . 1 . . . A 88 ASN C . 18989 1 980 . 1 1 88 88 ASN CA C 13 55.6 0.2 . 1 . . . A 88 ASN CA . 18989 1 981 . 1 1 88 88 ASN CB C 13 38.2 0.2 . 1 . . . A 88 ASN CB . 18989 1 982 . 1 1 88 88 ASN N N 15 122.3 0.2 . 1 . . . A 88 ASN N . 18989 1 983 . 1 1 89 89 VAL H H 1 7.17 0.02 . 1 . . . A 89 VAL H . 18989 1 984 . 1 1 89 89 VAL HA H 1 4.83 0.02 . 1 . . . A 89 VAL HA . 18989 1 985 . 1 1 89 89 VAL HB H 1 1.68 0.02 . 1 . . . A 89 VAL HB . 18989 1 986 . 1 1 89 89 VAL HG11 H 1 0.38 0.02 . 2 . . . A 89 VAL HG11 . 18989 1 987 . 1 1 89 89 VAL HG12 H 1 0.38 0.02 . 2 . . . A 89 VAL HG12 . 18989 1 988 . 1 1 89 89 VAL HG13 H 1 0.38 0.02 . 2 . . . A 89 VAL HG13 . 18989 1 989 . 1 1 89 89 VAL HG21 H 1 0.71 0.02 . 2 . . . A 89 VAL HG21 . 18989 1 990 . 1 1 89 89 VAL HG22 H 1 0.71 0.02 . 2 . . . A 89 VAL HG22 . 18989 1 991 . 1 1 89 89 VAL HG23 H 1 0.71 0.02 . 2 . . . A 89 VAL HG23 . 18989 1 992 . 1 1 89 89 VAL C C 13 174.7 0.2 . 1 . . . A 89 VAL C . 18989 1 993 . 1 1 89 89 VAL CA C 13 59.6 0.2 . 1 . . . A 89 VAL CA . 18989 1 994 . 1 1 89 89 VAL CB C 13 37 0.2 . 1 . . . A 89 VAL CB . 18989 1 995 . 1 1 89 89 VAL CG1 C 13 22.1 0.2 . 2 . . . A 89 VAL CG1 . 18989 1 996 . 1 1 89 89 VAL CG2 C 13 22.2 0.2 . 2 . . . A 89 VAL CG2 . 18989 1 997 . 1 1 89 89 VAL N N 15 115.7 0.2 . 1 . . . A 89 VAL N . 18989 1 998 . 1 1 90 90 LYS H H 1 8.54 0.02 . 1 . . . A 90 LYS H . 18989 1 999 . 1 1 90 90 LYS HA H 1 5.01 0.02 . 1 . . . A 90 LYS HA . 18989 1 1000 . 1 1 90 90 LYS HB2 H 1 1.37 0.02 . 2 . . . A 90 LYS HB2 . 18989 1 1001 . 1 1 90 90 LYS HB3 H 1 1.37 0.02 . 2 . . . A 90 LYS HB3 . 18989 1 1002 . 1 1 90 90 LYS HG2 H 1 1.03 0.02 . 2 . . . A 90 LYS HG2 . 18989 1 1003 . 1 1 90 90 LYS HG3 H 1 1.03 0.02 . 2 . . . A 90 LYS HG3 . 18989 1 1004 . 1 1 90 90 LYS HD2 H 1 1.48 0.02 . 2 . . . A 90 LYS HD2 . 18989 1 1005 . 1 1 90 90 LYS HD3 H 1 1.34 0.02 . 2 . . . A 90 LYS HD3 . 18989 1 1006 . 1 1 90 90 LYS HE2 H 1 2.69 0.02 . 2 . . . A 90 LYS HE2 . 18989 1 1007 . 1 1 90 90 LYS HE3 H 1 2.63 0.02 . 2 . . . A 90 LYS HE3 . 18989 1 1008 . 1 1 90 90 LYS C C 13 174.1 0.2 . 1 . . . A 90 LYS C . 18989 1 1009 . 1 1 90 90 LYS CA C 13 54.9 0.2 . 1 . . . A 90 LYS CA . 18989 1 1010 . 1 1 90 90 LYS CB C 13 36.3 0.2 . 1 . . . A 90 LYS CB . 18989 1 1011 . 1 1 90 90 LYS CG C 13 25.2 0.2 . 1 . . . A 90 LYS CG . 18989 1 1012 . 1 1 90 90 LYS CD C 13 29.7 0.2 . 1 . . . A 90 LYS CD . 18989 1 1013 . 1 1 90 90 LYS N N 15 123.6 0.2 . 1 . . . A 90 LYS N . 18989 1 1014 . 1 1 91 91 TRP H H 1 8.34 0.02 . 1 . . . A 91 TRP H . 18989 1 1015 . 1 1 91 91 TRP HA H 1 5.1 0.02 . 1 . . . A 91 TRP HA . 18989 1 1016 . 1 1 91 91 TRP HB2 H 1 2.1 0.02 . 2 . . . A 91 TRP HB2 . 18989 1 1017 . 1 1 91 91 TRP HB3 H 1 2.1 0.02 . 2 . . . A 91 TRP HB3 . 18989 1 1018 . 1 1 91 91 TRP HD1 H 1 6.61 0.02 . 1 . . . A 91 TRP HD1 . 18989 1 1019 . 1 1 91 91 TRP HE1 H 1 9.9 0.02 . 1 . . . A 91 TRP HE1 . 18989 1 1020 . 1 1 91 91 TRP HZ2 H 1 7.67 0.02 . 1 . . . A 91 TRP HZ2 . 18989 1 1021 . 1 1 91 91 TRP HH2 H 1 7.07 0.02 . 1 . . . A 91 TRP HH2 . 18989 1 1022 . 1 1 91 91 TRP C C 13 174.6 0.2 . 1 . . . A 91 TRP C . 18989 1 1023 . 1 1 91 91 TRP CA C 13 54.9 0.2 . 1 . . . A 91 TRP CA . 18989 1 1024 . 1 1 91 91 TRP CB C 13 30.8 0.2 . 1 . . . A 91 TRP CB . 18989 1 1025 . 1 1 91 91 TRP CD1 C 13 126.6 0.2 . 1 . . . A 91 TRP CD1 . 18989 1 1026 . 1 1 91 91 TRP CZ2 C 13 114.5 0.2 . 1 . . . A 91 TRP CZ2 . 18989 1 1027 . 1 1 91 91 TRP CH2 C 13 124.5 0.2 . 1 . . . A 91 TRP CH2 . 18989 1 1028 . 1 1 91 91 TRP N N 15 124.6 0.2 . 1 . . . A 91 TRP N . 18989 1 1029 . 1 1 91 91 TRP NE1 N 15 127.7 0.2 . 1 . . . A 91 TRP NE1 . 18989 1 1030 . 1 1 92 92 ILE H H 1 8.43 0.02 . 1 . . . A 92 ILE H . 18989 1 1031 . 1 1 92 92 ILE HA H 1 4.56 0.02 . 1 . . . A 92 ILE HA . 18989 1 1032 . 1 1 92 92 ILE HB H 1 1.67 0.02 . 1 . . . A 92 ILE HB . 18989 1 1033 . 1 1 92 92 ILE HG12 H 1 1.34 0.02 . 2 . . . A 92 ILE HG12 . 18989 1 1034 . 1 1 92 92 ILE HG13 H 1 1.34 0.02 . 2 . . . A 92 ILE HG13 . 18989 1 1035 . 1 1 92 92 ILE HG21 H 1 0.66 0.02 . 1 . . . A 92 ILE HG21 . 18989 1 1036 . 1 1 92 92 ILE HG22 H 1 0.66 0.02 . 1 . . . A 92 ILE HG22 . 18989 1 1037 . 1 1 92 92 ILE HG23 H 1 0.66 0.02 . 1 . . . A 92 ILE HG23 . 18989 1 1038 . 1 1 92 92 ILE HD11 H 1 0.64 0.02 . 1 . . . A 92 ILE HD11 . 18989 1 1039 . 1 1 92 92 ILE HD12 H 1 0.64 0.02 . 1 . . . A 92 ILE HD12 . 18989 1 1040 . 1 1 92 92 ILE HD13 H 1 0.64 0.02 . 1 . . . A 92 ILE HD13 . 18989 1 1041 . 1 1 92 92 ILE C C 13 176.3 0.2 . 1 . . . A 92 ILE C . 18989 1 1042 . 1 1 92 92 ILE CA C 13 60.8 0.2 . 1 . . . A 92 ILE CA . 18989 1 1043 . 1 1 92 92 ILE CB C 13 42.1 0.2 . 1 . . . A 92 ILE CB . 18989 1 1044 . 1 1 92 92 ILE CG1 C 13 27.6 0.2 . 1 . . . A 92 ILE CG1 . 18989 1 1045 . 1 1 92 92 ILE CG2 C 13 18.4 0.2 . 1 . . . A 92 ILE CG2 . 18989 1 1046 . 1 1 92 92 ILE CD1 C 13 13.4 0.2 . 1 . . . A 92 ILE CD1 . 18989 1 1047 . 1 1 92 92 ILE N N 15 118 0.2 . 1 . . . A 92 ILE N . 18989 1 1048 . 1 1 93 93 TYR H H 1 9.67 0.02 . 1 . . . A 93 TYR H . 18989 1 1049 . 1 1 93 93 TYR HA H 1 5.85 0.02 . 1 . . . A 93 TYR HA . 18989 1 1050 . 1 1 93 93 TYR HB2 H 1 3.3 0.02 . 2 . . . A 93 TYR HB2 . 18989 1 1051 . 1 1 93 93 TYR HB3 H 1 2.82 0.02 . 2 . . . A 93 TYR HB3 . 18989 1 1052 . 1 1 93 93 TYR HD1 H 1 7.13 0.02 . 3 . . . A 93 TYR HD1 . 18989 1 1053 . 1 1 93 93 TYR HD2 H 1 7.13 0.02 . 3 . . . A 93 TYR HD2 . 18989 1 1054 . 1 1 93 93 TYR HE1 H 1 6.73 0.02 . 3 . . . A 93 TYR HE1 . 18989 1 1055 . 1 1 93 93 TYR HE2 H 1 6.73 0.02 . 3 . . . A 93 TYR HE2 . 18989 1 1056 . 1 1 93 93 TYR C C 13 175.3 0.2 . 1 . . . A 93 TYR C . 18989 1 1057 . 1 1 93 93 TYR CA C 13 57.1 0.2 . 1 . . . A 93 TYR CA . 18989 1 1058 . 1 1 93 93 TYR CB C 13 40.8 0.2 . 1 . . . A 93 TYR CB . 18989 1 1059 . 1 1 93 93 TYR CD1 C 13 132.2 0.2 . 3 . . . A 93 TYR CD1 . 18989 1 1060 . 1 1 93 93 TYR CD2 C 13 132.2 0.2 . 3 . . . A 93 TYR CD2 . 18989 1 1061 . 1 1 93 93 TYR CE1 C 13 118.2 0.2 . 3 . . . A 93 TYR CE1 . 18989 1 1062 . 1 1 93 93 TYR CE2 C 13 118.2 0.2 . 3 . . . A 93 TYR CE2 . 18989 1 1063 . 1 1 93 93 TYR N N 15 127.7 0.2 . 1 . . . A 93 TYR N . 18989 1 1064 . 1 1 94 94 SER H H 1 9.63 0.02 . 1 . . . A 94 SER H . 18989 1 1065 . 1 1 94 94 SER HA H 1 5.51 0.02 . 1 . . . A 94 SER HA . 18989 1 1066 . 1 1 94 94 SER HB2 H 1 3.89 0.02 . 2 . . . A 94 SER HB2 . 18989 1 1067 . 1 1 94 94 SER HB3 H 1 3.89 0.02 . 2 . . . A 94 SER HB3 . 18989 1 1068 . 1 1 94 94 SER C C 13 172.7 0.2 . 1 . . . A 94 SER C . 18989 1 1069 . 1 1 94 94 SER CA C 13 57.3 0.2 . 1 . . . A 94 SER CA . 18989 1 1070 . 1 1 94 94 SER CB C 13 65.6 0.2 . 1 . . . A 94 SER CB . 18989 1 1071 . 1 1 94 94 SER N N 15 117.9 0.2 . 1 . . . A 94 SER N . 18989 1 1072 . 1 1 95 95 MET H H 1 8.88 0.02 . 1 . . . A 95 MET H . 18989 1 1073 . 1 1 95 95 MET HA H 1 5.84 0.02 . 1 . . . A 95 MET HA . 18989 1 1074 . 1 1 95 95 MET HB2 H 1 1.96 0.02 . 2 . . . A 95 MET HB2 . 18989 1 1075 . 1 1 95 95 MET HB3 H 1 1.84 0.02 . 2 . . . A 95 MET HB3 . 18989 1 1076 . 1 1 95 95 MET HG2 H 1 1.86 0.02 . 2 . . . A 95 MET HG2 . 18989 1 1077 . 1 1 95 95 MET HG3 H 1 1.86 0.02 . 2 . . . A 95 MET HG3 . 18989 1 1078 . 1 1 95 95 MET HE1 H 1 1.76 0.02 . 1 . . . A 95 MET HE1 . 18989 1 1079 . 1 1 95 95 MET HE2 H 1 1.76 0.02 . 1 . . . A 95 MET HE2 . 18989 1 1080 . 1 1 95 95 MET HE3 H 1 1.76 0.02 . 1 . . . A 95 MET HE3 . 18989 1 1081 . 1 1 95 95 MET C C 13 173.8 0.2 . 1 . . . A 95 MET C . 18989 1 1082 . 1 1 95 95 MET CA C 13 54.2 0.2 . 1 . . . A 95 MET CA . 18989 1 1083 . 1 1 95 95 MET CB C 13 37.4 0.2 . 1 . . . A 95 MET CB . 18989 1 1084 . 1 1 95 95 MET CG C 13 33.3 0.2 . 1 . . . A 95 MET CG . 18989 1 1085 . 1 1 95 95 MET CE C 13 17.7 0.2 . 1 . . . A 95 MET CE . 18989 1 1086 . 1 1 95 95 MET N N 15 119.6 0.2 . 1 . . . A 95 MET N . 18989 1 1087 . 1 1 96 96 GLU H H 1 8.27 0.02 . 1 . . . A 96 GLU H . 18989 1 1088 . 1 1 96 96 GLU HA H 1 4.97 0.02 . 1 . . . A 96 GLU HA . 18989 1 1089 . 1 1 96 96 GLU HB2 H 1 2.11 0.02 . 2 . . . A 96 GLU HB2 . 18989 1 1090 . 1 1 96 96 GLU HB3 H 1 1.87 0.02 . 2 . . . A 96 GLU HB3 . 18989 1 1091 . 1 1 96 96 GLU HG2 H 1 2.25 0.02 . 2 . . . A 96 GLU HG2 . 18989 1 1092 . 1 1 96 96 GLU HG3 H 1 2.25 0.02 . 2 . . . A 96 GLU HG3 . 18989 1 1093 . 1 1 96 96 GLU CA C 13 52.9 0.2 . 1 . . . A 96 GLU CA . 18989 1 1094 . 1 1 96 96 GLU CB C 13 33 0.2 . 1 . . . A 96 GLU CB . 18989 1 1095 . 1 1 96 96 GLU CG C 13 35.6 0.2 . 1 . . . A 96 GLU CG . 18989 1 1096 . 1 1 96 96 GLU N N 15 119.1 0.2 . 1 . . . A 96 GLU N . 18989 1 1097 . 1 1 97 97 PRO HA H 1 4.82 0.02 . 1 . . . A 97 PRO HA . 18989 1 1098 . 1 1 97 97 PRO HB2 H 1 2.38 0.02 . 2 . . . A 97 PRO HB2 . 18989 1 1099 . 1 1 97 97 PRO HB3 H 1 2.07 0.02 . 2 . . . A 97 PRO HB3 . 18989 1 1100 . 1 1 97 97 PRO HG2 H 1 2.26 0.02 . 2 . . . A 97 PRO HG2 . 18989 1 1101 . 1 1 97 97 PRO HG3 H 1 2.1 0.02 . 2 . . . A 97 PRO HG3 . 18989 1 1102 . 1 1 97 97 PRO HD2 H 1 3.89 0.02 . 2 . . . A 97 PRO HD2 . 18989 1 1103 . 1 1 97 97 PRO HD3 H 1 3.8 0.02 . 2 . . . A 97 PRO HD3 . 18989 1 1104 . 1 1 97 97 PRO C C 13 176.3 0.2 . 1 . . . A 97 PRO C . 18989 1 1105 . 1 1 97 97 PRO CA C 13 63.1 0.2 . 1 . . . A 97 PRO CA . 18989 1 1106 . 1 1 97 97 PRO CB C 13 32.7 0.2 . 1 . . . A 97 PRO CB . 18989 1 1107 . 1 1 97 97 PRO CG C 13 27.4 0.2 . 1 . . . A 97 PRO CG . 18989 1 1108 . 1 1 97 97 PRO CD C 13 50.7 0.2 . 1 . . . A 97 PRO CD . 18989 1 1109 . 1 1 98 98 LEU H H 1 8.17 0.02 . 1 . . . A 98 LEU H . 18989 1 1110 . 1 1 98 98 LEU HA H 1 4.53 0.02 . 1 . . . A 98 LEU HA . 18989 1 1111 . 1 1 98 98 LEU HB2 H 1 1.55 0.02 . 2 . . . A 98 LEU HB2 . 18989 1 1112 . 1 1 98 98 LEU HB3 H 1 1.28 0.02 . 2 . . . A 98 LEU HB3 . 18989 1 1113 . 1 1 98 98 LEU HG H 1 1.39 0.02 . 1 . . . A 98 LEU HG . 18989 1 1114 . 1 1 98 98 LEU HD11 H 1 0.82 0.02 . 2 . . . A 98 LEU HD11 . 18989 1 1115 . 1 1 98 98 LEU HD12 H 1 0.82 0.02 . 2 . . . A 98 LEU HD12 . 18989 1 1116 . 1 1 98 98 LEU HD13 H 1 0.82 0.02 . 2 . . . A 98 LEU HD13 . 18989 1 1117 . 1 1 98 98 LEU HD21 H 1 0.81 0.02 . 2 . . . A 98 LEU HD21 . 18989 1 1118 . 1 1 98 98 LEU HD22 H 1 0.81 0.02 . 2 . . . A 98 LEU HD22 . 18989 1 1119 . 1 1 98 98 LEU HD23 H 1 0.81 0.02 . 2 . . . A 98 LEU HD23 . 18989 1 1120 . 1 1 98 98 LEU C C 13 176.2 0.2 . 1 . . . A 98 LEU C . 18989 1 1121 . 1 1 98 98 LEU CA C 13 54.2 0.2 . 1 . . . A 98 LEU CA . 18989 1 1122 . 1 1 98 98 LEU CB C 13 44.1 0.2 . 1 . . . A 98 LEU CB . 18989 1 1123 . 1 1 98 98 LEU CG C 13 27.5 0.2 . 1 . . . A 98 LEU CG . 18989 1 1124 . 1 1 98 98 LEU CD1 C 13 24.1 0.2 . 2 . . . A 98 LEU CD1 . 18989 1 1125 . 1 1 98 98 LEU CD2 C 13 24.2 0.2 . 2 . . . A 98 LEU CD2 . 18989 1 1126 . 1 1 98 98 LEU N N 15 122.9 0.2 . 1 . . . A 98 LEU N . 18989 1 1127 . 1 1 99 99 GLU H H 1 9.09 0.02 . 1 . . . A 99 GLU H . 18989 1 1128 . 1 1 99 99 GLU HA H 1 3.86 0.02 . 1 . . . A 99 GLU HA . 18989 1 1129 . 1 1 99 99 GLU HB2 H 1 2.16 0.02 . 2 . . . A 99 GLU HB2 . 18989 1 1130 . 1 1 99 99 GLU HB3 H 1 2.08 0.02 . 2 . . . A 99 GLU HB3 . 18989 1 1131 . 1 1 99 99 GLU HG2 H 1 2.32 0.02 . 2 . . . A 99 GLU HG2 . 18989 1 1132 . 1 1 99 99 GLU HG3 H 1 2.26 0.02 . 2 . . . A 99 GLU HG3 . 18989 1 1133 . 1 1 99 99 GLU C C 13 176.9 0.2 . 1 . . . A 99 GLU C . 18989 1 1134 . 1 1 99 99 GLU CA C 13 59.5 0.2 . 1 . . . A 99 GLU CA . 18989 1 1135 . 1 1 99 99 GLU CB C 13 28 0.2 . 1 . . . A 99 GLU CB . 18989 1 1136 . 1 1 99 99 GLU CG C 13 36.5 0.2 . 1 . . . A 99 GLU CG . 18989 1 1137 . 1 1 99 99 GLU N N 15 124.7 0.2 . 1 . . . A 99 GLU N . 18989 1 1138 . 1 1 100 100 GLU H H 1 8.25 0.02 . 1 . . . A 100 GLU H . 18989 1 1139 . 1 1 100 100 GLU HA H 1 4.43 0.02 . 1 . . . A 100 GLU HA . 18989 1 1140 . 1 1 100 100 GLU HB2 H 1 2.21 0.02 . 2 . . . A 100 GLU HB2 . 18989 1 1141 . 1 1 100 100 GLU HB3 H 1 1.91 0.02 . 2 . . . A 100 GLU HB3 . 18989 1 1142 . 1 1 100 100 GLU HG2 H 1 2.26 0.02 . 2 . . . A 100 GLU HG2 . 18989 1 1143 . 1 1 100 100 GLU HG3 H 1 2.22 0.02 . 2 . . . A 100 GLU HG3 . 18989 1 1144 . 1 1 100 100 GLU C C 13 176.2 0.2 . 1 . . . A 100 GLU C . 18989 1 1145 . 1 1 100 100 GLU CA C 13 56.4 0.2 . 1 . . . A 100 GLU CA . 18989 1 1146 . 1 1 100 100 GLU CB C 13 29.9 0.2 . 1 . . . A 100 GLU CB . 18989 1 1147 . 1 1 100 100 GLU CG C 13 36.6 0.2 . 1 . . . A 100 GLU CG . 18989 1 1148 . 1 1 100 100 GLU N N 15 118.2 0.2 . 1 . . . A 100 GLU N . 18989 1 1149 . 1 1 101 101 GLY H H 1 7.95 0.02 . 1 . . . A 101 GLY H . 18989 1 1150 . 1 1 101 101 GLY HA2 H 1 4.4 0.02 . 2 . . . A 101 GLY HA2 . 18989 1 1151 . 1 1 101 101 GLY HA3 H 1 4.2 0.02 . 2 . . . A 101 GLY HA3 . 18989 1 1152 . 1 1 101 101 GLY C C 13 174.1 0.2 . 1 . . . A 101 GLY C . 18989 1 1153 . 1 1 101 101 GLY CA C 13 45 0.2 . 1 . . . A 101 GLY CA . 18989 1 1154 . 1 1 101 101 GLY N N 15 110.1 0.2 . 1 . . . A 101 GLY N . 18989 1 1155 . 1 1 102 102 THR H H 1 9.38 0.02 . 1 . . . A 102 THR H . 18989 1 1156 . 1 1 102 102 THR HA H 1 4.85 0.02 . 1 . . . A 102 THR HA . 18989 1 1157 . 1 1 102 102 THR HB H 1 3.65 0.02 . 1 . . . A 102 THR HB . 18989 1 1158 . 1 1 102 102 THR HG21 H 1 1.06 0.02 . 1 . . . A 102 THR HG21 . 18989 1 1159 . 1 1 102 102 THR HG22 H 1 1.06 0.02 . 1 . . . A 102 THR HG22 . 18989 1 1160 . 1 1 102 102 THR HG23 H 1 1.06 0.02 . 1 . . . A 102 THR HG23 . 18989 1 1161 . 1 1 102 102 THR C C 13 172.7 0.2 . 1 . . . A 102 THR C . 18989 1 1162 . 1 1 102 102 THR CA C 13 63.7 0.2 . 1 . . . A 102 THR CA . 18989 1 1163 . 1 1 102 102 THR CB C 13 73.6 0.2 . 1 . . . A 102 THR CB . 18989 1 1164 . 1 1 102 102 THR CG2 C 13 22.5 0.2 . 1 . . . A 102 THR CG2 . 18989 1 1165 . 1 1 102 102 THR N N 15 120.2 0.2 . 1 . . . A 102 THR N . 18989 1 1166 . 1 1 103 103 VAL H H 1 9.23 0.02 . 1 . . . A 103 VAL H . 18989 1 1167 . 1 1 103 103 VAL HA H 1 4.91 0.02 . 1 . . . A 103 VAL HA . 18989 1 1168 . 1 1 103 103 VAL HB H 1 2.06 0.02 . 1 . . . A 103 VAL HB . 18989 1 1169 . 1 1 103 103 VAL HG11 H 1 0.91 0.02 . 2 . . . A 103 VAL HG11 . 18989 1 1170 . 1 1 103 103 VAL HG12 H 1 0.91 0.02 . 2 . . . A 103 VAL HG12 . 18989 1 1171 . 1 1 103 103 VAL HG13 H 1 0.91 0.02 . 2 . . . A 103 VAL HG13 . 18989 1 1172 . 1 1 103 103 VAL HG21 H 1 0.94 0.02 . 2 . . . A 103 VAL HG21 . 18989 1 1173 . 1 1 103 103 VAL HG22 H 1 0.94 0.02 . 2 . . . A 103 VAL HG22 . 18989 1 1174 . 1 1 103 103 VAL HG23 H 1 0.94 0.02 . 2 . . . A 103 VAL HG23 . 18989 1 1175 . 1 1 103 103 VAL C C 13 175 0.2 . 1 . . . A 103 VAL C . 18989 1 1176 . 1 1 103 103 VAL CA C 13 61.3 0.2 . 1 . . . A 103 VAL CA . 18989 1 1177 . 1 1 103 103 VAL CB C 13 32.7 0.2 . 1 . . . A 103 VAL CB . 18989 1 1178 . 1 1 103 103 VAL CG1 C 13 20.5 0.2 . 2 . . . A 103 VAL CG1 . 18989 1 1179 . 1 1 103 103 VAL CG2 C 13 21.6 0.2 . 2 . . . A 103 VAL CG2 . 18989 1 1180 . 1 1 103 103 VAL N N 15 125.6 0.2 . 1 . . . A 103 VAL N . 18989 1 1181 . 1 1 104 104 LEU H H 1 9.29 0.02 . 1 . . . A 104 LEU H . 18989 1 1182 . 1 1 104 104 LEU HA H 1 5.14 0.02 . 1 . . . A 104 LEU HA . 18989 1 1183 . 1 1 104 104 LEU HB2 H 1 2.02 0.02 . 2 . . . A 104 LEU HB2 . 18989 1 1184 . 1 1 104 104 LEU HB3 H 1 0.98 0.02 . 2 . . . A 104 LEU HB3 . 18989 1 1185 . 1 1 104 104 LEU HG H 1 0.61 0.02 . 1 . . . A 104 LEU HG . 18989 1 1186 . 1 1 104 104 LEU HD11 H 1 1.01 0.02 . 2 . . . A 104 LEU HD11 . 18989 1 1187 . 1 1 104 104 LEU HD12 H 1 1.01 0.02 . 2 . . . A 104 LEU HD12 . 18989 1 1188 . 1 1 104 104 LEU HD13 H 1 1.01 0.02 . 2 . . . A 104 LEU HD13 . 18989 1 1189 . 1 1 104 104 LEU HD21 H 1 1.07 0.02 . 2 . . . A 104 LEU HD21 . 18989 1 1190 . 1 1 104 104 LEU HD22 H 1 1.07 0.02 . 2 . . . A 104 LEU HD22 . 18989 1 1191 . 1 1 104 104 LEU HD23 H 1 1.07 0.02 . 2 . . . A 104 LEU HD23 . 18989 1 1192 . 1 1 104 104 LEU C C 13 173.8 0.2 . 1 . . . A 104 LEU C . 18989 1 1193 . 1 1 104 104 LEU CA C 13 53.3 0.2 . 1 . . . A 104 LEU CA . 18989 1 1194 . 1 1 104 104 LEU CB C 13 46.1 0.2 . 1 . . . A 104 LEU CB . 18989 1 1195 . 1 1 104 104 LEU CG C 13 27.4 0.2 . 1 . . . A 104 LEU CG . 18989 1 1196 . 1 1 104 104 LEU CD1 C 13 23.7 0.2 . 2 . . . A 104 LEU CD1 . 18989 1 1197 . 1 1 104 104 LEU CD2 C 13 20.7 0.2 . 2 . . . A 104 LEU CD2 . 18989 1 1198 . 1 1 104 104 LEU N N 15 133.9 0.2 . 1 . . . A 104 LEU N . 18989 1 1199 . 1 1 105 105 THR H H 1 9.75 0.02 . 1 . . . A 105 THR H . 18989 1 1200 . 1 1 105 105 THR HA H 1 5.21 0.02 . 1 . . . A 105 THR HA . 18989 1 1201 . 1 1 105 105 THR HB H 1 3.99 0.02 . 1 . . . A 105 THR HB . 18989 1 1202 . 1 1 105 105 THR HG21 H 1 1.07 0.02 . 1 . . . A 105 THR HG21 . 18989 1 1203 . 1 1 105 105 THR HG22 H 1 1.07 0.02 . 1 . . . A 105 THR HG22 . 18989 1 1204 . 1 1 105 105 THR HG23 H 1 1.07 0.02 . 1 . . . A 105 THR HG23 . 18989 1 1205 . 1 1 105 105 THR C C 13 173.5 0.2 . 1 . . . A 105 THR C . 18989 1 1206 . 1 1 105 105 THR CA C 13 61.5 0.2 . 1 . . . A 105 THR CA . 18989 1 1207 . 1 1 105 105 THR CB C 13 71.1 0.2 . 1 . . . A 105 THR CB . 18989 1 1208 . 1 1 105 105 THR CG2 C 13 22.5 0.2 . 1 . . . A 105 THR CG2 . 18989 1 1209 . 1 1 105 105 THR N N 15 124.4 0.2 . 1 . . . A 105 THR N . 18989 1 1210 . 1 1 106 106 GLU H H 1 8.94 0.02 . 1 . . . A 106 GLU H . 18989 1 1211 . 1 1 106 106 GLU HA H 1 5.36 0.02 . 1 . . . A 106 GLU HA . 18989 1 1212 . 1 1 106 106 GLU HB2 H 1 2.1 0.02 . 2 . . . A 106 GLU HB2 . 18989 1 1213 . 1 1 106 106 GLU HB3 H 1 2.1 0.02 . 2 . . . A 106 GLU HB3 . 18989 1 1214 . 1 1 106 106 GLU HG2 H 1 2.09 0.02 . 2 . . . A 106 GLU HG2 . 18989 1 1215 . 1 1 106 106 GLU HG3 H 1 2.09 0.02 . 2 . . . A 106 GLU HG3 . 18989 1 1216 . 1 1 106 106 GLU C C 13 173.4 0.2 . 1 . . . A 106 GLU C . 18989 1 1217 . 1 1 106 106 GLU CA C 13 54.4 0.2 . 1 . . . A 106 GLU CA . 18989 1 1218 . 1 1 106 106 GLU CB C 13 32 0.2 . 1 . . . A 106 GLU CB . 18989 1 1219 . 1 1 106 106 GLU CG C 13 34.6 0.2 . 1 . . . A 106 GLU CG . 18989 1 1220 . 1 1 106 106 GLU N N 15 126.9 0.2 . 1 . . . A 106 GLU N . 18989 1 1221 . 1 1 107 107 SER H H 1 9.27 0.02 . 1 . . . A 107 SER H . 18989 1 1222 . 1 1 107 107 SER HA H 1 5.47 0.02 . 1 . . . A 107 SER HA . 18989 1 1223 . 1 1 107 107 SER HB2 H 1 3.91 0.02 . 2 . . . A 107 SER HB2 . 18989 1 1224 . 1 1 107 107 SER HB3 H 1 3.76 0.02 . 2 . . . A 107 SER HB3 . 18989 1 1225 . 1 1 107 107 SER C C 13 171.6 0.2 . 1 . . . A 107 SER C . 18989 1 1226 . 1 1 107 107 SER CA C 13 56 0.2 . 1 . . . A 107 SER CA . 18989 1 1227 . 1 1 107 107 SER CB C 13 66.7 0.2 . 1 . . . A 107 SER CB . 18989 1 1228 . 1 1 107 107 SER N N 15 120.8 0.2 . 1 . . . A 107 SER N . 18989 1 1229 . 1 1 108 108 TRP H H 1 9.06 0.02 . 1 . . . A 108 TRP H . 18989 1 1230 . 1 1 108 108 TRP HA H 1 4.68 0.02 . 1 . . . A 108 TRP HA . 18989 1 1231 . 1 1 108 108 TRP HB2 H 1 2.76 0.02 . 2 . . . A 108 TRP HB2 . 18989 1 1232 . 1 1 108 108 TRP HB3 H 1 2.72 0.02 . 2 . . . A 108 TRP HB3 . 18989 1 1233 . 1 1 108 108 TRP HD1 H 1 7.66 0.02 . 1 . . . A 108 TRP HD1 . 18989 1 1234 . 1 1 108 108 TRP HE1 H 1 9.57 0.02 . 1 . . . A 108 TRP HE1 . 18989 1 1235 . 1 1 108 108 TRP HZ2 H 1 6.76 0.02 . 1 . . . A 108 TRP HZ2 . 18989 1 1236 . 1 1 108 108 TRP HH2 H 1 6.62 0.02 . 1 . . . A 108 TRP HH2 . 18989 1 1237 . 1 1 108 108 TRP C C 13 175 0.2 . 1 . . . A 108 TRP C . 18989 1 1238 . 1 1 108 108 TRP CA C 13 55.9 0.2 . 1 . . . A 108 TRP CA . 18989 1 1239 . 1 1 108 108 TRP CB C 13 33.6 0.2 . 1 . . . A 108 TRP CB . 18989 1 1240 . 1 1 108 108 TRP CZ2 C 13 112.5 0.2 . 1 . . . A 108 TRP CZ2 . 18989 1 1241 . 1 1 108 108 TRP CH2 C 13 121.9 0.2 . 1 . . . A 108 TRP CH2 . 18989 1 1242 . 1 1 108 108 TRP N N 15 124.6 0.2 . 1 . . . A 108 TRP N . 18989 1 1243 . 1 1 108 108 TRP NE1 N 15 130.1 0.2 . 1 . . . A 108 TRP NE1 . 18989 1 1244 . 1 1 109 109 GLU H H 1 7.73 0.02 . 1 . . . A 109 GLU H . 18989 1 1245 . 1 1 109 109 GLU HA H 1 4.5 0.02 . 1 . . . A 109 GLU HA . 18989 1 1246 . 1 1 109 109 GLU HB2 H 1 1.57 0.02 . 2 . . . A 109 GLU HB2 . 18989 1 1247 . 1 1 109 109 GLU HB3 H 1 1.47 0.02 . 2 . . . A 109 GLU HB3 . 18989 1 1248 . 1 1 109 109 GLU HG2 H 1 1.91 0.02 . 2 . . . A 109 GLU HG2 . 18989 1 1249 . 1 1 109 109 GLU HG3 H 1 1.91 0.02 . 2 . . . A 109 GLU HG3 . 18989 1 1250 . 1 1 109 109 GLU C C 13 172.3 0.2 . 1 . . . A 109 GLU C . 18989 1 1251 . 1 1 109 109 GLU CA C 13 54.1 0.2 . 1 . . . A 109 GLU CA . 18989 1 1252 . 1 1 109 109 GLU CB C 13 32.9 0.2 . 1 . . . A 109 GLU CB . 18989 1 1253 . 1 1 109 109 GLU CG C 13 36.1 0.2 . 1 . . . A 109 GLU CG . 18989 1 1254 . 1 1 109 109 GLU N N 15 127.2 0.2 . 1 . . . A 109 GLU N . 18989 1 1255 . 1 1 110 110 PHE H H 1 8.35 0.02 . 1 . . . A 110 PHE H . 18989 1 1256 . 1 1 110 110 PHE HA H 1 4.69 0.02 . 1 . . . A 110 PHE HA . 18989 1 1257 . 1 1 110 110 PHE HB2 H 1 2.9 0.02 . 2 . . . A 110 PHE HB2 . 18989 1 1258 . 1 1 110 110 PHE HB3 H 1 2.9 0.02 . 2 . . . A 110 PHE HB3 . 18989 1 1259 . 1 1 110 110 PHE HD1 H 1 7.2 0.02 . 3 . . . A 110 PHE HD1 . 18989 1 1260 . 1 1 110 110 PHE HD2 H 1 7.2 0.02 . 3 . . . A 110 PHE HD2 . 18989 1 1261 . 1 1 110 110 PHE C C 13 177.1 0.2 . 1 . . . A 110 PHE C . 18989 1 1262 . 1 1 110 110 PHE CA C 13 54 0.2 . 1 . . . A 110 PHE CA . 18989 1 1263 . 1 1 110 110 PHE CB C 13 38.5 0.2 . 1 . . . A 110 PHE CB . 18989 1 1264 . 1 1 110 110 PHE CD1 C 13 130.0 0.2 . 3 . . . A 110 PHE CD1 . 18989 1 1265 . 1 1 110 110 PHE CD2 C 13 130.0 0.2 . 3 . . . A 110 PHE CD2 . 18989 1 1266 . 1 1 110 110 PHE N N 15 129.4 0.2 . 1 . . . A 110 PHE N . 18989 1 1267 . 1 1 111 111 THR H H 1 7.96 0.02 . 1 . . . A 111 THR H . 18989 1 1268 . 1 1 111 111 THR HA H 1 4.51 0.02 . 1 . . . A 111 THR HA . 18989 1 1269 . 1 1 111 111 THR HB H 1 4 0.02 . 1 . . . A 111 THR HB . 18989 1 1270 . 1 1 111 111 THR HG21 H 1 1.02 0.02 . 1 . . . A 111 THR HG21 . 18989 1 1271 . 1 1 111 111 THR HG22 H 1 1.02 0.02 . 1 . . . A 111 THR HG22 . 18989 1 1272 . 1 1 111 111 THR HG23 H 1 1.02 0.02 . 1 . . . A 111 THR HG23 . 18989 1 1273 . 1 1 111 111 THR CA C 13 61.8 0.2 . 1 . . . A 111 THR CA . 18989 1 1274 . 1 1 111 111 THR CB C 13 66.1 0.2 . 1 . . . A 111 THR CB . 18989 1 1275 . 1 1 111 111 THR CG2 C 13 20.7 0.2 . 1 . . . A 111 THR CG2 . 18989 1 1276 . 1 1 111 111 THR N N 15 117.8 0.2 . 1 . . . A 111 THR N . 18989 1 1277 . 1 1 113 113 LYS HA H 1 3.99 0.02 . 1 . . . A 113 LYS HA . 18989 1 1278 . 1 1 113 113 LYS HB2 H 1 1.62 0.02 . 2 . . . A 113 LYS HB2 . 18989 1 1279 . 1 1 113 113 LYS HB3 H 1 1.62 0.02 . 2 . . . A 113 LYS HB3 . 18989 1 1280 . 1 1 113 113 LYS C C 13 179.2 0.2 . 1 . . . A 113 LYS C . 18989 1 1281 . 1 1 114 114 GLY H H 1 8.23 0.02 . 1 . . . A 114 GLY H . 18989 1 1282 . 1 1 114 114 GLY HA2 H 1 3.84 0.02 . 2 . . . A 114 GLY HA2 . 18989 1 1283 . 1 1 114 114 GLY HA3 H 1 3.84 0.02 . 2 . . . A 114 GLY HA3 . 18989 1 1284 . 1 1 114 114 GLY CA C 13 47.1 0.2 . 1 . . . A 114 GLY CA . 18989 1 1285 . 1 1 114 114 GLY N N 15 110.1 0.2 . 1 . . . A 114 GLY N . 18989 1 1286 . 1 1 115 115 GLN H H 1 8.33 0.02 . 1 . . . A 115 GLN H . 18989 1 1287 . 1 1 115 115 GLN HA H 1 4.01 0.02 . 1 . . . A 115 GLN HA . 18989 1 1288 . 1 1 115 115 GLN HB2 H 1 2.01 0.02 . 2 . . . A 115 GLN HB2 . 18989 1 1289 . 1 1 115 115 GLN HB3 H 1 1.86 0.02 . 2 . . . A 115 GLN HB3 . 18989 1 1290 . 1 1 115 115 GLN HG2 H 1 1.71 0.02 . 2 . . . A 115 GLN HG2 . 18989 1 1291 . 1 1 115 115 GLN HG3 H 1 1.42 0.02 . 2 . . . A 115 GLN HG3 . 18989 1 1292 . 1 1 115 115 GLN C C 13 178 0.2 . 1 . . . A 115 GLN C . 18989 1 1293 . 1 1 115 115 GLN CA C 13 59.9 0.2 . 1 . . . A 115 GLN CA . 18989 1 1294 . 1 1 115 115 GLN CB C 13 29.4 0.2 . 1 . . . A 115 GLN CB . 18989 1 1295 . 1 1 115 115 GLN CG C 13 35 0.2 . 1 . . . A 115 GLN CG . 18989 1 1296 . 1 1 115 115 GLN N N 15 121.1 0.2 . 1 . . . A 115 GLN N . 18989 1 1297 . 1 1 116 116 ARG HA H 1 4.14 0.02 . 1 . . . A 116 ARG HA . 18989 1 1298 . 1 1 116 116 ARG HB2 H 1 2.05 0.02 . 2 . . . A 116 ARG HB2 . 18989 1 1299 . 1 1 116 116 ARG HB3 H 1 2.05 0.02 . 2 . . . A 116 ARG HB3 . 18989 1 1300 . 1 1 116 116 ARG C C 13 177.9 0.2 . 1 . . . A 116 ARG C . 18989 1 1301 . 1 1 116 116 ARG CA C 13 59.5 0.2 . 1 . . . A 116 ARG CA . 18989 1 1302 . 1 1 116 116 ARG CB C 13 30 0.2 . 1 . . . A 116 ARG CB . 18989 1 1303 . 1 1 117 117 PHE H H 1 8.39 0.02 . 1 . . . A 117 PHE H . 18989 1 1304 . 1 1 117 117 PHE HA H 1 4.47 0.02 . 1 . . . A 117 PHE HA . 18989 1 1305 . 1 1 117 117 PHE HB2 H 1 3.66 0.02 . 2 . . . A 117 PHE HB2 . 18989 1 1306 . 1 1 117 117 PHE HB3 H 1 3.38 0.02 . 2 . . . A 117 PHE HB3 . 18989 1 1307 . 1 1 117 117 PHE HD1 H 1 7.3 0.02 . 3 . . . A 117 PHE HD1 . 18989 1 1308 . 1 1 117 117 PHE HD2 H 1 7.3 0.02 . 3 . . . A 117 PHE HD2 . 18989 1 1309 . 1 1 117 117 PHE C C 13 178.1 0.2 . 1 . . . A 117 PHE C . 18989 1 1310 . 1 1 117 117 PHE CA C 13 61.2 0.2 . 1 . . . A 117 PHE CA . 18989 1 1311 . 1 1 117 117 PHE CB C 13 39 0.2 . 1 . . . A 117 PHE CB . 18989 1 1312 . 1 1 117 117 PHE CD1 C 13 132.4 0.2 . 3 . . . A 117 PHE CD1 . 18989 1 1313 . 1 1 117 117 PHE CD2 C 13 132.4 0.2 . 3 . . . A 117 PHE CD2 . 18989 1 1314 . 1 1 117 117 PHE N N 15 120.8 0.2 . 1 . . . A 117 PHE N . 18989 1 1315 . 1 1 118 118 PHE H H 1 8.56 0.02 . 1 . . . A 118 PHE H . 18989 1 1316 . 1 1 118 118 PHE HA H 1 4.23 0.02 . 1 . . . A 118 PHE HA . 18989 1 1317 . 1 1 118 118 PHE HB2 H 1 3.60 0.02 . 2 . . . A 118 PHE HB2 . 18989 1 1318 . 1 1 118 118 PHE HB3 H 1 2.96 0.02 . 2 . . . A 118 PHE HB3 . 18989 1 1319 . 1 1 118 118 PHE HD1 H 1 7.67 0.02 . 3 . . . A 118 PHE HD1 . 18989 1 1320 . 1 1 118 118 PHE HD2 H 1 7.67 0.02 . 3 . . . A 118 PHE HD2 . 18989 1 1321 . 1 1 118 118 PHE C C 13 178.5 0.2 . 1 . . . A 118 PHE C . 18989 1 1322 . 1 1 118 118 PHE CA C 13 62.3 0.2 . 1 . . . A 118 PHE CA . 18989 1 1323 . 1 1 118 118 PHE CB C 13 39.2 0.2 . 1 . . . A 118 PHE CB . 18989 1 1324 . 1 1 118 118 PHE CD1 C 13 131.4 0.2 . 3 . . . A 118 PHE CD1 . 18989 1 1325 . 1 1 118 118 PHE CD2 C 13 131.4 0.2 . 3 . . . A 118 PHE CD2 . 18989 1 1326 . 1 1 118 118 PHE N N 15 119.6 0.2 . 1 . . . A 118 PHE N . 18989 1 1327 . 1 1 119 119 HIS H H 1 8.65 0.02 . 1 . . . A 119 HIS H . 18989 1 1328 . 1 1 119 119 HIS HA H 1 4.62 0.02 . 1 . . . A 119 HIS HA . 18989 1 1329 . 1 1 119 119 HIS HB2 H 1 3.37 0.02 . 2 . . . A 119 HIS HB2 . 18989 1 1330 . 1 1 119 119 HIS HB3 H 1 3.37 0.02 . 2 . . . A 119 HIS HB3 . 18989 1 1331 . 1 1 119 119 HIS C C 13 178.5 0.2 . 1 . . . A 119 HIS C . 18989 1 1332 . 1 1 119 119 HIS CA C 13 59.9 0.2 . 1 . . . A 119 HIS CA . 18989 1 1333 . 1 1 119 119 HIS CB C 13 29.7 0.2 . 1 . . . A 119 HIS CB . 18989 1 1334 . 1 1 119 119 HIS N N 15 120.9 0.2 . 1 . . . A 119 HIS N . 18989 1 1335 . 1 1 120 120 ASP H H 1 8.53 0.02 . 1 . . . A 120 ASP H . 18989 1 1336 . 1 1 120 120 ASP HA H 1 4.33 0.02 . 1 . . . A 120 ASP HA . 18989 1 1337 . 1 1 120 120 ASP HB2 H 1 2.76 0.02 . 2 . . . A 120 ASP HB2 . 18989 1 1338 . 1 1 120 120 ASP HB3 H 1 2.59 0.02 . 2 . . . A 120 ASP HB3 . 18989 1 1339 . 1 1 120 120 ASP C C 13 177.5 0.2 . 1 . . . A 120 ASP C . 18989 1 1340 . 1 1 120 120 ASP CA C 13 57.2 0.2 . 1 . . . A 120 ASP CA . 18989 1 1341 . 1 1 120 120 ASP CB C 13 40.5 0.2 . 1 . . . A 120 ASP CB . 18989 1 1342 . 1 1 120 120 ASP N N 15 120.4 0.2 . 1 . . . A 120 ASP N . 18989 1 1343 . 1 1 121 121 LYS H H 1 7.91 0.02 . 1 . . . A 121 LYS H . 18989 1 1344 . 1 1 121 121 LYS HA H 1 3.81 0.02 . 1 . . . A 121 LYS HA . 18989 1 1345 . 1 1 121 121 LYS HB2 H 1 0.99 0.02 . 2 . . . A 121 LYS HB2 . 18989 1 1346 . 1 1 121 121 LYS HB3 H 1 0.81 0.02 . 2 . . . A 121 LYS HB3 . 18989 1 1347 . 1 1 121 121 LYS HG2 H 1 0.52 0.02 . 2 . . . A 121 LYS HG2 . 18989 1 1348 . 1 1 121 121 LYS HG3 H 1 0.02 0.02 . 2 . . . A 121 LYS HG3 . 18989 1 1349 . 1 1 121 121 LYS HD2 H 1 1.08 0.02 . 2 . . . A 121 LYS HD2 . 18989 1 1350 . 1 1 121 121 LYS HD3 H 1 0.89 0.02 . 2 . . . A 121 LYS HD3 . 18989 1 1351 . 1 1 121 121 LYS HE2 H 1 2.52 0.02 . 2 . . . A 121 LYS HE2 . 18989 1 1352 . 1 1 121 121 LYS HE3 H 1 2.52 0.02 . 2 . . . A 121 LYS HE3 . 18989 1 1353 . 1 1 121 121 LYS C C 13 178.2 0.2 . 1 . . . A 121 LYS C . 18989 1 1354 . 1 1 121 121 LYS CA C 13 58.1 0.2 . 1 . . . A 121 LYS CA . 18989 1 1355 . 1 1 121 121 LYS CB C 13 33.2 0.2 . 1 . . . A 121 LYS CB . 18989 1 1356 . 1 1 121 121 LYS CG C 13 24.1 0.2 . 1 . . . A 121 LYS CG . 18989 1 1357 . 1 1 121 121 LYS CD C 13 28.9 0.2 . 1 . . . A 121 LYS CD . 18989 1 1358 . 1 1 121 121 LYS CE C 13 42 0.2 . 1 . . . A 121 LYS CE . 18989 1 1359 . 1 1 121 121 LYS N N 15 118.1 0.2 . 1 . . . A 121 LYS N . 18989 1 1360 . 1 1 122 122 PHE H H 1 8.47 0.02 . 1 . . . A 122 PHE H . 18989 1 1361 . 1 1 122 122 PHE HA H 1 4.68 0.02 . 1 . . . A 122 PHE HA . 18989 1 1362 . 1 1 122 122 PHE HB2 H 1 2.99 0.02 . 2 . . . A 122 PHE HB2 . 18989 1 1363 . 1 1 122 122 PHE HB3 H 1 2.6 0.02 . 2 . . . A 122 PHE HB3 . 18989 1 1364 . 1 1 122 122 PHE HD1 H 1 7.16 0.02 . 3 . . . A 122 PHE HD1 . 18989 1 1365 . 1 1 122 122 PHE HD2 H 1 7.16 0.02 . 3 . . . A 122 PHE HD2 . 18989 1 1366 . 1 1 122 122 PHE C C 13 177.6 0.2 . 1 . . . A 122 PHE C . 18989 1 1367 . 1 1 122 122 PHE CA C 13 58.1 0.2 . 1 . . . A 122 PHE CA . 18989 1 1368 . 1 1 122 122 PHE CB C 13 40 0.2 . 1 . . . A 122 PHE CB . 18989 1 1369 . 1 1 122 122 PHE N N 15 112.8 0.2 . 1 . . . A 122 PHE N . 18989 1 1370 . 1 1 123 123 GLY H H 1 8.03 0.02 . 1 . . . A 123 GLY H . 18989 1 1371 . 1 1 123 123 GLY HA2 H 1 4 0.02 . 2 . . . A 123 GLY HA2 . 18989 1 1372 . 1 1 123 123 GLY HA3 H 1 3.82 0.02 . 2 . . . A 123 GLY HA3 . 18989 1 1373 . 1 1 123 123 GLY CA C 13 47.3 0.2 . 1 . . . A 123 GLY CA . 18989 1 1374 . 1 1 123 123 GLY N N 15 112.2 0.2 . 1 . . . A 123 GLY N . 18989 1 1375 . 1 1 124 124 ASP H H 1 8.45 0.02 . 1 . . . A 124 ASP H . 18989 1 1376 . 1 1 124 124 ASP HA H 1 4.58 0.02 . 1 . . . A 124 ASP HA . 18989 1 1377 . 1 1 124 124 ASP HB2 H 1 2.84 0.02 . 2 . . . A 124 ASP HB2 . 18989 1 1378 . 1 1 124 124 ASP HB3 H 1 2.84 0.02 . 2 . . . A 124 ASP HB3 . 18989 1 1379 . 1 1 124 124 ASP C C 13 177.7 0.2 . 1 . . . A 124 ASP C . 18989 1 1380 . 1 1 124 124 ASP CA C 13 56.8 0.2 . 1 . . . A 124 ASP CA . 18989 1 1381 . 1 1 124 124 ASP CB C 13 40.1 0.2 . 1 . . . A 124 ASP CB . 18989 1 1382 . 1 1 125 125 LYS H H 1 7.9 0.02 . 1 . . . A 125 LYS H . 18989 1 1383 . 1 1 125 125 LYS HA H 1 4.67 0.02 . 1 . . . A 125 LYS HA . 18989 1 1384 . 1 1 125 125 LYS HB2 H 1 2.26 0.02 . 2 . . . A 125 LYS HB2 . 18989 1 1385 . 1 1 125 125 LYS HB3 H 1 1.93 0.02 . 2 . . . A 125 LYS HB3 . 18989 1 1386 . 1 1 125 125 LYS HG2 H 1 1.65 0.02 . 2 . . . A 125 LYS HG2 . 18989 1 1387 . 1 1 125 125 LYS HG3 H 1 1.58 0.02 . 2 . . . A 125 LYS HG3 . 18989 1 1388 . 1 1 125 125 LYS HD2 H 1 1.73 0.02 . 2 . . . A 125 LYS HD2 . 18989 1 1389 . 1 1 125 125 LYS HD3 H 1 1.73 0.02 . 2 . . . A 125 LYS HD3 . 18989 1 1390 . 1 1 125 125 LYS HE2 H 1 3.05 0.02 . 2 . . . A 125 LYS HE2 . 18989 1 1391 . 1 1 125 125 LYS HE3 H 1 3.05 0.02 . 2 . . . A 125 LYS HE3 . 18989 1 1392 . 1 1 125 125 LYS C C 13 177.1 0.2 . 1 . . . A 125 LYS C . 18989 1 1393 . 1 1 125 125 LYS CA C 13 56 0.2 . 1 . . . A 125 LYS CA . 18989 1 1394 . 1 1 125 125 LYS CB C 13 32.3 0.2 . 1 . . . A 125 LYS CB . 18989 1 1395 . 1 1 125 125 LYS CG C 13 25.2 0.2 . 1 . . . A 125 LYS CG . 18989 1 1396 . 1 1 125 125 LYS CD C 13 28.7 0.2 . 1 . . . A 125 LYS CD . 18989 1 1397 . 1 1 125 125 LYS CE C 13 42.4 0.2 . 1 . . . A 125 LYS CE . 18989 1 1398 . 1 1 125 125 LYS N N 15 118.4 0.2 . 1 . . . A 125 LYS N . 18989 1 1399 . 1 1 126 126 SER H H 1 8.44 0.02 . 1 . . . A 126 SER H . 18989 1 1400 . 1 1 126 126 SER HA H 1 3.83 0.02 . 1 . . . A 126 SER HA . 18989 1 1401 . 1 1 126 126 SER HB2 H 1 3.76 0.02 . 2 . . . A 126 SER HB2 . 18989 1 1402 . 1 1 126 126 SER HB3 H 1 3.76 0.02 . 2 . . . A 126 SER HB3 . 18989 1 1403 . 1 1 126 126 SER C C 13 175.7 0.2 . 1 . . . A 126 SER C . 18989 1 1404 . 1 1 126 126 SER CA C 13 62.7 0.2 . 1 . . . A 126 SER CA . 18989 1 1405 . 1 1 126 126 SER CB C 13 63 0.2 . 1 . . . A 126 SER CB . 18989 1 1406 . 1 1 126 126 SER N N 15 116.6 0.2 . 1 . . . A 126 SER N . 18989 1 1407 . 1 1 127 127 ILE H H 1 7.73 0.02 . 1 . . . A 127 ILE H . 18989 1 1408 . 1 1 127 127 ILE HA H 1 3.81 0.02 . 1 . . . A 127 ILE HA . 18989 1 1409 . 1 1 127 127 ILE HB H 1 2.05 0.02 . 1 . . . A 127 ILE HB . 18989 1 1410 . 1 1 127 127 ILE HG12 H 1 1.67 0.02 . 2 . . . A 127 ILE HG12 . 18989 1 1411 . 1 1 127 127 ILE HG13 H 1 1.38 0.02 . 2 . . . A 127 ILE HG13 . 18989 1 1412 . 1 1 127 127 ILE HG21 H 1 0.98 0.02 . 1 . . . A 127 ILE HG21 . 18989 1 1413 . 1 1 127 127 ILE HG22 H 1 0.98 0.02 . 1 . . . A 127 ILE HG22 . 18989 1 1414 . 1 1 127 127 ILE HG23 H 1 0.98 0.02 . 1 . . . A 127 ILE HG23 . 18989 1 1415 . 1 1 127 127 ILE HD11 H 1 0.95 0.02 . 1 . . . A 127 ILE HD11 . 18989 1 1416 . 1 1 127 127 ILE HD12 H 1 0.95 0.02 . 1 . . . A 127 ILE HD12 . 18989 1 1417 . 1 1 127 127 ILE HD13 H 1 0.95 0.02 . 1 . . . A 127 ILE HD13 . 18989 1 1418 . 1 1 127 127 ILE C C 13 178.5 0.2 . 1 . . . A 127 ILE C . 18989 1 1419 . 1 1 127 127 ILE CA C 13 65 0.2 . 1 . . . A 127 ILE CA . 18989 1 1420 . 1 1 127 127 ILE CB C 13 36.8 0.2 . 1 . . . A 127 ILE CB . 18989 1 1421 . 1 1 127 127 ILE CG1 C 13 28.9 0.2 . 1 . . . A 127 ILE CG1 . 18989 1 1422 . 1 1 127 127 ILE CG2 C 13 17.3 0.2 . 1 . . . A 127 ILE CG2 . 18989 1 1423 . 1 1 127 127 ILE CD1 C 13 12.2 0.2 . 1 . . . A 127 ILE CD1 . 18989 1 1424 . 1 1 127 127 ILE N N 15 122.3 0.2 . 1 . . . A 127 ILE N . 18989 1 1425 . 1 1 128 128 GLU H H 1 8.03 0.02 . 1 . . . A 128 GLU H . 18989 1 1426 . 1 1 128 128 GLU HA H 1 4.1 0.02 . 1 . . . A 128 GLU HA . 18989 1 1427 . 1 1 128 128 GLU HB2 H 1 2.13 0.02 . 2 . . . A 128 GLU HB2 . 18989 1 1428 . 1 1 128 128 GLU HB3 H 1 2.06 0.02 . 2 . . . A 128 GLU HB3 . 18989 1 1429 . 1 1 128 128 GLU HG2 H 1 2.26 0.02 . 2 . . . A 128 GLU HG2 . 18989 1 1430 . 1 1 128 128 GLU HG3 H 1 2.26 0.02 . 2 . . . A 128 GLU HG3 . 18989 1 1431 . 1 1 128 128 GLU C C 13 179.4 0.2 . 1 . . . A 128 GLU C . 18989 1 1432 . 1 1 128 128 GLU CA C 13 59.3 0.2 . 1 . . . A 128 GLU CA . 18989 1 1433 . 1 1 128 128 GLU CB C 13 29.7 0.2 . 1 . . . A 128 GLU CB . 18989 1 1434 . 1 1 128 128 GLU CG C 13 36.7 0.2 . 1 . . . A 128 GLU CG . 18989 1 1435 . 1 1 128 128 GLU N N 15 120.5 0.2 . 1 . . . A 128 GLU N . 18989 1 1436 . 1 1 129 129 GLU H H 1 7.79 0.02 . 1 . . . A 129 GLU H . 18989 1 1437 . 1 1 129 129 GLU HA H 1 3.91 0.02 . 1 . . . A 129 GLU HA . 18989 1 1438 . 1 1 129 129 GLU HB2 H 1 1.76 0.02 . 2 . . . A 129 GLU HB2 . 18989 1 1439 . 1 1 129 129 GLU HB3 H 1 1.6 0.02 . 2 . . . A 129 GLU HB3 . 18989 1 1440 . 1 1 129 129 GLU HG2 H 1 2.04 0.02 . 2 . . . A 129 GLU HG2 . 18989 1 1441 . 1 1 129 129 GLU HG3 H 1 1.81 0.02 . 2 . . . A 129 GLU HG3 . 18989 1 1442 . 1 1 129 129 GLU C C 13 179.9 0.2 . 1 . . . A 129 GLU C . 18989 1 1443 . 1 1 129 129 GLU CA C 13 59 0.2 . 1 . . . A 129 GLU CA . 18989 1 1444 . 1 1 129 129 GLU CB C 13 29.2 0.2 . 1 . . . A 129 GLU CB . 18989 1 1445 . 1 1 129 129 GLU CG C 13 34.1 0.2 . 1 . . . A 129 GLU CG . 18989 1 1446 . 1 1 129 129 GLU N N 15 118.8 0.2 . 1 . . . A 129 GLU N . 18989 1 1447 . 1 1 130 130 ILE H H 1 8.9 0.02 . 1 . . . A 130 ILE H . 18989 1 1448 . 1 1 130 130 ILE HA H 1 3.48 0.02 . 1 . . . A 130 ILE HA . 18989 1 1449 . 1 1 130 130 ILE HB H 1 1.92 0.02 . 1 . . . A 130 ILE HB . 18989 1 1450 . 1 1 130 130 ILE HG12 H 1 1.74 0.02 . 2 . . . A 130 ILE HG12 . 18989 1 1451 . 1 1 130 130 ILE HG13 H 1 1.74 0.02 . 2 . . . A 130 ILE HG13 . 18989 1 1452 . 1 1 130 130 ILE HG21 H 1 0.69 0.02 . 1 . . . A 130 ILE HG21 . 18989 1 1453 . 1 1 130 130 ILE HG22 H 1 0.69 0.02 . 1 . . . A 130 ILE HG22 . 18989 1 1454 . 1 1 130 130 ILE HG23 H 1 0.69 0.02 . 1 . . . A 130 ILE HG23 . 18989 1 1455 . 1 1 130 130 ILE HD11 H 1 0.79 0.02 . 1 . . . A 130 ILE HD11 . 18989 1 1456 . 1 1 130 130 ILE HD12 H 1 0.79 0.02 . 1 . . . A 130 ILE HD12 . 18989 1 1457 . 1 1 130 130 ILE HD13 H 1 0.79 0.02 . 1 . . . A 130 ILE HD13 . 18989 1 1458 . 1 1 130 130 ILE C C 13 177.6 0.2 . 1 . . . A 130 ILE C . 18989 1 1459 . 1 1 130 130 ILE CA C 13 66.4 0.2 . 1 . . . A 130 ILE CA . 18989 1 1460 . 1 1 130 130 ILE CB C 13 38.3 0.2 . 1 . . . A 130 ILE CB . 18989 1 1461 . 1 1 130 130 ILE CG1 C 13 28.8 0.2 . 1 . . . A 130 ILE CG1 . 18989 1 1462 . 1 1 130 130 ILE CG2 C 13 16.8 0.2 . 1 . . . A 130 ILE CG2 . 18989 1 1463 . 1 1 130 130 ILE CD1 C 13 14.2 0.2 . 1 . . . A 130 ILE CD1 . 18989 1 1464 . 1 1 130 130 ILE N N 15 122.7 0.2 . 1 . . . A 130 ILE N . 18989 1 1465 . 1 1 131 131 GLU H H 1 8.08 0.02 . 1 . . . A 131 GLU H . 18989 1 1466 . 1 1 131 131 GLU HA H 1 4.39 0.02 . 1 . . . A 131 GLU HA . 18989 1 1467 . 1 1 131 131 GLU HB2 H 1 2.12 0.02 . 2 . . . A 131 GLU HB2 . 18989 1 1468 . 1 1 131 131 GLU HB3 H 1 2.01 0.02 . 2 . . . A 131 GLU HB3 . 18989 1 1469 . 1 1 131 131 GLU HG2 H 1 2.39 0.02 . 2 . . . A 131 GLU HG2 . 18989 1 1470 . 1 1 131 131 GLU HG3 H 1 2.28 0.02 . 2 . . . A 131 GLU HG3 . 18989 1 1471 . 1 1 131 131 GLU C C 13 178.8 0.2 . 1 . . . A 131 GLU C . 18989 1 1472 . 1 1 131 131 GLU CA C 13 58.6 0.2 . 1 . . . A 131 GLU CA . 18989 1 1473 . 1 1 131 131 GLU CB C 13 28.9 0.2 . 1 . . . A 131 GLU CB . 18989 1 1474 . 1 1 131 131 GLU CG C 13 34.9 0.2 . 1 . . . A 131 GLU CG . 18989 1 1475 . 1 1 131 131 GLU N N 15 120.1 0.2 . 1 . . . A 131 GLU N . 18989 1 1476 . 1 1 132 132 LYS H H 1 7.98 0.02 . 1 . . . A 132 LYS H . 18989 1 1477 . 1 1 132 132 LYS HA H 1 3.96 0.02 . 1 . . . A 132 LYS HA . 18989 1 1478 . 1 1 132 132 LYS HB2 H 1 1.93 0.02 . 2 . . . A 132 LYS HB2 . 18989 1 1479 . 1 1 132 132 LYS HB3 H 1 1.86 0.02 . 2 . . . A 132 LYS HB3 . 18989 1 1480 . 1 1 132 132 LYS HG2 H 1 1.65 0.02 . 2 . . . A 132 LYS HG2 . 18989 1 1481 . 1 1 132 132 LYS HG3 H 1 1.42 0.02 . 2 . . . A 132 LYS HG3 . 18989 1 1482 . 1 1 132 132 LYS HD2 H 1 1.61 0.02 . 2 . . . A 132 LYS HD2 . 18989 1 1483 . 1 1 132 132 LYS HD3 H 1 1.61 0.02 . 2 . . . A 132 LYS HD3 . 18989 1 1484 . 1 1 132 132 LYS HE2 H 1 2.85 0.02 . 2 . . . A 132 LYS HE2 . 18989 1 1485 . 1 1 132 132 LYS HE3 H 1 2.79 0.02 . 2 . . . A 132 LYS HE3 . 18989 1 1486 . 1 1 132 132 LYS C C 13 180.4 0.2 . 1 . . . A 132 LYS C . 18989 1 1487 . 1 1 132 132 LYS CA C 13 60.3 0.2 . 1 . . . A 132 LYS CA . 18989 1 1488 . 1 1 132 132 LYS CB C 13 32.7 0.2 . 1 . . . A 132 LYS CB . 18989 1 1489 . 1 1 132 132 LYS CG C 13 25.7 0.2 . 1 . . . A 132 LYS CG . 18989 1 1490 . 1 1 132 132 LYS CD C 13 29.8 0.2 . 1 . . . A 132 LYS CD . 18989 1 1491 . 1 1 132 132 LYS CE C 13 42 0.2 . 1 . . . A 132 LYS CE . 18989 1 1492 . 1 1 132 132 LYS N N 15 118.3 0.2 . 1 . . . A 132 LYS N . 18989 1 1493 . 1 1 133 133 ARG H H 1 7.58 0.02 . 1 . . . A 133 ARG H . 18989 1 1494 . 1 1 133 133 ARG HA H 1 4.06 0.02 . 1 . . . A 133 ARG HA . 18989 1 1495 . 1 1 133 133 ARG HB2 H 1 2.11 0.02 . 2 . . . A 133 ARG HB2 . 18989 1 1496 . 1 1 133 133 ARG HB3 H 1 2.06 0.02 . 2 . . . A 133 ARG HB3 . 18989 1 1497 . 1 1 133 133 ARG HG2 H 1 1.99 0.02 . 2 . . . A 133 ARG HG2 . 18989 1 1498 . 1 1 133 133 ARG HG3 H 1 1.76 0.02 . 2 . . . A 133 ARG HG3 . 18989 1 1499 . 1 1 133 133 ARG HD2 H 1 3.14 0.02 . 2 . . . A 133 ARG HD2 . 18989 1 1500 . 1 1 133 133 ARG HD3 H 1 3.14 0.02 . 2 . . . A 133 ARG HD3 . 18989 1 1501 . 1 1 133 133 ARG C C 13 178.6 0.2 . 1 . . . A 133 ARG C . 18989 1 1502 . 1 1 133 133 ARG CA C 13 58 0.2 . 1 . . . A 133 ARG CA . 18989 1 1503 . 1 1 133 133 ARG CB C 13 29.4 0.2 . 1 . . . A 133 ARG CB . 18989 1 1504 . 1 1 133 133 ARG CG C 13 27 0.2 . 1 . . . A 133 ARG CG . 18989 1 1505 . 1 1 133 133 ARG CD C 13 42.7 0.2 . 1 . . . A 133 ARG CD . 18989 1 1506 . 1 1 133 133 ARG N N 15 118.4 0.2 . 1 . . . A 133 ARG N . 18989 1 1507 . 1 1 134 134 ARG H H 1 8.42 0.02 . 1 . . . A 134 ARG H . 18989 1 1508 . 1 1 134 134 ARG HA H 1 3.61 0.02 . 1 . . . A 134 ARG HA . 18989 1 1509 . 1 1 134 134 ARG HB2 H 1 2.17 0.02 . 2 . . . A 134 ARG HB2 . 18989 1 1510 . 1 1 134 134 ARG HB3 H 1 1.74 0.02 . 2 . . . A 134 ARG HB3 . 18989 1 1511 . 1 1 134 134 ARG HG2 H 1 1.67 0.02 . 2 . . . A 134 ARG HG2 . 18989 1 1512 . 1 1 134 134 ARG HG3 H 1 3.16 0.02 . 2 . . . A 134 ARG HG3 . 18989 1 1513 . 1 1 134 134 ARG HD2 H 1 3.16 0.02 . 2 . . . A 134 ARG HD2 . 18989 1 1514 . 1 1 134 134 ARG C C 13 177.6 0.2 . 1 . . . A 134 ARG C . 18989 1 1515 . 1 1 134 134 ARG CA C 13 59.4 0.2 . 1 . . . A 134 ARG CA . 18989 1 1516 . 1 1 134 134 ARG CB C 13 31 0.2 . 1 . . . A 134 ARG CB . 18989 1 1517 . 1 1 134 134 ARG CG C 13 27 0.2 . 1 . . . A 134 ARG CG . 18989 1 1518 . 1 1 134 134 ARG N N 15 122.5 0.2 . 1 . . . A 134 ARG N . 18989 1 1519 . 1 1 135 135 LEU H H 1 8.58 0.02 . 1 . . . A 135 LEU H . 18989 1 1520 . 1 1 135 135 LEU HA H 1 3.81 0.02 . 1 . . . A 135 LEU HA . 18989 1 1521 . 1 1 135 135 LEU HB2 H 1 1.68 0.02 . 2 . . . A 135 LEU HB2 . 18989 1 1522 . 1 1 135 135 LEU HB3 H 1 1.48 0.02 . 2 . . . A 135 LEU HB3 . 18989 1 1523 . 1 1 135 135 LEU HG H 1 1.67 0.02 . 1 . . . A 135 LEU HG . 18989 1 1524 . 1 1 135 135 LEU HD11 H 1 0.84 0.02 . 2 . . . A 135 LEU HD11 . 18989 1 1525 . 1 1 135 135 LEU HD12 H 1 0.84 0.02 . 2 . . . A 135 LEU HD12 . 18989 1 1526 . 1 1 135 135 LEU HD13 H 1 0.84 0.02 . 2 . . . A 135 LEU HD13 . 18989 1 1527 . 1 1 135 135 LEU HD21 H 1 0.79 0.02 . 2 . . . A 135 LEU HD21 . 18989 1 1528 . 1 1 135 135 LEU HD22 H 1 0.79 0.02 . 2 . . . A 135 LEU HD22 . 18989 1 1529 . 1 1 135 135 LEU HD23 H 1 0.79 0.02 . 2 . . . A 135 LEU HD23 . 18989 1 1530 . 1 1 135 135 LEU C C 13 179.7 0.2 . 1 . . . A 135 LEU C . 18989 1 1531 . 1 1 135 135 LEU CA C 13 57.7 0.2 . 1 . . . A 135 LEU CA . 18989 1 1532 . 1 1 135 135 LEU CB C 13 41.4 0.2 . 1 . . . A 135 LEU CB . 18989 1 1533 . 1 1 135 135 LEU CG C 13 27 0.2 . 1 . . . A 135 LEU CG . 18989 1 1534 . 1 1 135 135 LEU CD1 C 13 24.7 0.2 . 2 . . . A 135 LEU CD1 . 18989 1 1535 . 1 1 135 135 LEU CD2 C 13 23.3 0.2 . 2 . . . A 135 LEU CD2 . 18989 1 1536 . 1 1 135 135 LEU N N 15 118.2 0.2 . 1 . . . A 135 LEU N . 18989 1 1537 . 1 1 136 136 ALA H H 1 7.59 0.02 . 1 . . . A 136 ALA H . 18989 1 1538 . 1 1 136 136 ALA HA H 1 4.03 0.02 . 1 . . . A 136 ALA HA . 18989 1 1539 . 1 1 136 136 ALA HB1 H 1 1.44 0.02 . 1 . . . A 136 ALA HB1 . 18989 1 1540 . 1 1 136 136 ALA HB2 H 1 1.44 0.02 . 1 . . . A 136 ALA HB2 . 18989 1 1541 . 1 1 136 136 ALA HB3 H 1 1.44 0.02 . 1 . . . A 136 ALA HB3 . 18989 1 1542 . 1 1 136 136 ALA C C 13 180.5 0.2 . 1 . . . A 136 ALA C . 18989 1 1543 . 1 1 136 136 ALA CA C 13 54.7 0.2 . 1 . . . A 136 ALA CA . 18989 1 1544 . 1 1 136 136 ALA CB C 13 18.1 0.2 . 1 . . . A 136 ALA CB . 18989 1 1545 . 1 1 136 136 ALA N N 15 120.4 0.2 . 1 . . . A 136 ALA N . 18989 1 1546 . 1 1 137 137 ALA H H 1 7.35 0.02 . 1 . . . A 137 ALA H . 18989 1 1547 . 1 1 137 137 ALA HA H 1 3.9 0.02 . 1 . . . A 137 ALA HA . 18989 1 1548 . 1 1 137 137 ALA HB1 H 1 -0.05 0.02 . 1 . . . A 137 ALA HB1 . 18989 1 1549 . 1 1 137 137 ALA HB2 H 1 -0.05 0.02 . 1 . . . A 137 ALA HB2 . 18989 1 1550 . 1 1 137 137 ALA HB3 H 1 -0.05 0.02 . 1 . . . A 137 ALA HB3 . 18989 1 1551 . 1 1 137 137 ALA C C 13 178.7 0.2 . 1 . . . A 137 ALA C . 18989 1 1552 . 1 1 137 137 ALA CA C 13 55.3 0.2 . 1 . . . A 137 ALA CA . 18989 1 1553 . 1 1 137 137 ALA CB C 13 15.8 0.2 . 1 . . . A 137 ALA CB . 18989 1 1554 . 1 1 137 137 ALA N N 15 123.2 0.2 . 1 . . . A 137 ALA N . 18989 1 1555 . 1 1 138 138 ILE H H 1 7.64 0.02 . 1 . . . A 138 ILE H . 18989 1 1556 . 1 1 138 138 ILE HA H 1 2.83 0.02 . 1 . . . A 138 ILE HA . 18989 1 1557 . 1 1 138 138 ILE HB H 1 1.24 0.02 . 1 . . . A 138 ILE HB . 18989 1 1558 . 1 1 138 138 ILE HG12 H 1 1.05 0.02 . 2 . . . A 138 ILE HG12 . 18989 1 1559 . 1 1 138 138 ILE HG13 H 1 0.36 0.02 . 2 . . . A 138 ILE HG13 . 18989 1 1560 . 1 1 138 138 ILE HG21 H 1 0.35 0.02 . 1 . . . A 138 ILE HG21 . 18989 1 1561 . 1 1 138 138 ILE HG22 H 1 0.35 0.02 . 1 . . . A 138 ILE HG22 . 18989 1 1562 . 1 1 138 138 ILE HG23 H 1 0.35 0.02 . 1 . . . A 138 ILE HG23 . 18989 1 1563 . 1 1 138 138 ILE HD11 H 1 0.56 0.02 . 1 . . . A 138 ILE HD11 . 18989 1 1564 . 1 1 138 138 ILE HD12 H 1 0.56 0.02 . 1 . . . A 138 ILE HD12 . 18989 1 1565 . 1 1 138 138 ILE HD13 H 1 0.56 0.02 . 1 . . . A 138 ILE HD13 . 18989 1 1566 . 1 1 138 138 ILE C C 13 177.8 0.2 . 1 . . . A 138 ILE C . 18989 1 1567 . 1 1 138 138 ILE CA C 13 64.2 0.2 . 1 . . . A 138 ILE CA . 18989 1 1568 . 1 1 138 138 ILE CB C 13 37.4 0.2 . 1 . . . A 138 ILE CB . 18989 1 1569 . 1 1 138 138 ILE CG1 C 13 27.7 0.2 . 1 . . . A 138 ILE CG1 . 18989 1 1570 . 1 1 138 138 ILE CG2 C 13 16.9 0.2 . 1 . . . A 138 ILE CG2 . 18989 1 1571 . 1 1 138 138 ILE CD1 C 13 14.2 0.2 . 1 . . . A 138 ILE CD1 . 18989 1 1572 . 1 1 138 138 ILE N N 15 115.4 0.2 . 1 . . . A 138 ILE N . 18989 1 1573 . 1 1 139 139 THR H H 1 7.54 0.02 . 1 . . . A 139 THR H . 18989 1 1574 . 1 1 139 139 THR HA H 1 4.15 0.02 . 1 . . . A 139 THR HA . 18989 1 1575 . 1 1 139 139 THR HB H 1 4.1 0.02 . 1 . . . A 139 THR HB . 18989 1 1576 . 1 1 139 139 THR HG21 H 1 1.22 0.02 . 1 . . . A 139 THR HG21 . 18989 1 1577 . 1 1 139 139 THR HG22 H 1 1.22 0.02 . 1 . . . A 139 THR HG22 . 18989 1 1578 . 1 1 139 139 THR HG23 H 1 1.22 0.02 . 1 . . . A 139 THR HG23 . 18989 1 1579 . 1 1 139 139 THR C C 13 177.3 0.2 . 1 . . . A 139 THR C . 18989 1 1580 . 1 1 139 139 THR CA C 13 64 0.2 . 1 . . . A 139 THR CA . 18989 1 1581 . 1 1 139 139 THR CB C 13 69.6 0.2 . 1 . . . A 139 THR CB . 18989 1 1582 . 1 1 139 139 THR CG2 C 13 21.8 0.2 . 1 . . . A 139 THR CG2 . 18989 1 1583 . 1 1 139 139 THR N N 15 109.5 0.2 . 1 . . . A 139 THR N . 18989 1 1584 . 1 1 140 140 GLY H H 1 7.95 0.02 . 1 . . . A 140 GLY H . 18989 1 1585 . 1 1 140 140 GLY HA2 H 1 4.15 0.02 . 2 . . . A 140 GLY HA2 . 18989 1 1586 . 1 1 140 140 GLY HA3 H 1 4.05 0.02 . 2 . . . A 140 GLY HA3 . 18989 1 1587 . 1 1 140 140 GLY C C 13 176.7 0.2 . 1 . . . A 140 GLY C . 18989 1 1588 . 1 1 140 140 GLY CA C 13 46.8 0.2 . 1 . . . A 140 GLY CA . 18989 1 1589 . 1 1 140 140 GLY N N 15 110.8 0.2 . 1 . . . A 140 GLY N . 18989 1 1590 . 1 1 141 141 ILE H H 1 8.42 0.02 . 1 . . . A 141 ILE H . 18989 1 1591 . 1 1 141 141 ILE HA H 1 4.16 0.02 . 1 . . . A 141 ILE HA . 18989 1 1592 . 1 1 141 141 ILE HB H 1 2.22 0.02 . 1 . . . A 141 ILE HB . 18989 1 1593 . 1 1 141 141 ILE HG12 H 1 1.82 0.02 . 2 . . . A 141 ILE HG12 . 18989 1 1594 . 1 1 141 141 ILE HG13 H 1 1.7 0.02 . 2 . . . A 141 ILE HG13 . 18989 1 1595 . 1 1 141 141 ILE HG21 H 1 1.13 0.02 . 1 . . . A 141 ILE HG21 . 18989 1 1596 . 1 1 141 141 ILE HG22 H 1 1.13 0.02 . 1 . . . A 141 ILE HG22 . 18989 1 1597 . 1 1 141 141 ILE HG23 H 1 1.13 0.02 . 1 . . . A 141 ILE HG23 . 18989 1 1598 . 1 1 141 141 ILE HD11 H 1 1.07 0.02 . 1 . . . A 141 ILE HD11 . 18989 1 1599 . 1 1 141 141 ILE HD12 H 1 1.07 0.02 . 1 . . . A 141 ILE HD12 . 18989 1 1600 . 1 1 141 141 ILE HD13 H 1 1.07 0.02 . 1 . . . A 141 ILE HD13 . 18989 1 1601 . 1 1 141 141 ILE CA C 13 68.3 0.2 . 1 . . . A 141 ILE CA . 18989 1 1602 . 1 1 141 141 ILE CB C 13 36.3 0.2 . 1 . . . A 141 ILE CB . 18989 1 1603 . 1 1 141 141 ILE CG1 C 13 27.6 0.2 . 1 . . . A 141 ILE CG1 . 18989 1 1604 . 1 1 141 141 ILE CG2 C 13 17.6 0.2 . 1 . . . A 141 ILE CG2 . 18989 1 1605 . 1 1 141 141 ILE CD1 C 13 14.9 0.2 . 1 . . . A 141 ILE CD1 . 18989 1 1606 . 1 1 141 141 ILE N N 15 122.7 0.2 . 1 . . . A 141 ILE N . 18989 1 1607 . 1 1 142 142 PRO HA H 1 4.35 0.02 . 1 . . . A 142 PRO HA . 18989 1 1608 . 1 1 142 142 PRO HB2 H 1 2.58 0.02 . 2 . . . A 142 PRO HB2 . 18989 1 1609 . 1 1 142 142 PRO HB3 H 1 1.97 0.02 . 2 . . . A 142 PRO HB3 . 18989 1 1610 . 1 1 142 142 PRO HG2 H 1 2.37 0.02 . 2 . . . A 142 PRO HG2 . 18989 1 1611 . 1 1 142 142 PRO HG3 H 1 2.37 0.02 . 2 . . . A 142 PRO HG3 . 18989 1 1612 . 1 1 142 142 PRO HD2 H 1 3.74 0.02 . 2 . . . A 142 PRO HD2 . 18989 1 1613 . 1 1 142 142 PRO HD3 H 1 3.74 0.02 . 2 . . . A 142 PRO HD3 . 18989 1 1614 . 1 1 142 142 PRO C C 13 179.3 0.2 . 1 . . . A 142 PRO C . 18989 1 1615 . 1 1 142 142 PRO CA C 13 66.7 0.2 . 1 . . . A 142 PRO CA . 18989 1 1616 . 1 1 142 142 PRO CB C 13 31.2 0.2 . 1 . . . A 142 PRO CB . 18989 1 1617 . 1 1 142 142 PRO CG C 13 28.6 0.2 . 1 . . . A 142 PRO CG . 18989 1 1618 . 1 1 142 142 PRO CD C 13 50.4 0.2 . 1 . . . A 142 PRO CD . 18989 1 1619 . 1 1 143 143 GLU H H 1 6.68 0.02 . 1 . . . A 143 GLU H . 18989 1 1620 . 1 1 143 143 GLU HA H 1 4.17 0.02 . 1 . . . A 143 GLU HA . 18989 1 1621 . 1 1 143 143 GLU HB2 H 1 2.31 0.02 . 2 . . . A 143 GLU HB2 . 18989 1 1622 . 1 1 143 143 GLU HB3 H 1 2.22 0.02 . 2 . . . A 143 GLU HB3 . 18989 1 1623 . 1 1 143 143 GLU HG2 H 1 2.59 0.02 . 2 . . . A 143 GLU HG2 . 18989 1 1624 . 1 1 143 143 GLU HG3 H 1 2.35 0.02 . 2 . . . A 143 GLU HG3 . 18989 1 1625 . 1 1 143 143 GLU C C 13 179.6 0.2 . 1 . . . A 143 GLU C . 18989 1 1626 . 1 1 143 143 GLU CA C 13 59.3 0.2 . 1 . . . A 143 GLU CA . 18989 1 1627 . 1 1 143 143 GLU CB C 13 30 0.2 . 1 . . . A 143 GLU CB . 18989 1 1628 . 1 1 143 143 GLU CG C 13 36.3 0.2 . 1 . . . A 143 GLU CG . 18989 1 1629 . 1 1 143 143 GLU N N 15 113.9 0.2 . 1 . . . A 143 GLU N . 18989 1 1630 . 1 1 144 144 THR H H 1 8.69 0.02 . 1 . . . A 144 THR H . 18989 1 1631 . 1 1 144 144 THR HA H 1 4.29 0.02 . 1 . . . A 144 THR HA . 18989 1 1632 . 1 1 144 144 THR HB H 1 4.81 0.02 . 1 . . . A 144 THR HB . 18989 1 1633 . 1 1 144 144 THR HG21 H 1 1.49 0.02 . 1 . . . A 144 THR HG21 . 18989 1 1634 . 1 1 144 144 THR HG22 H 1 1.49 0.02 . 1 . . . A 144 THR HG22 . 18989 1 1635 . 1 1 144 144 THR HG23 H 1 1.49 0.02 . 1 . . . A 144 THR HG23 . 18989 1 1636 . 1 1 144 144 THR C C 13 175.8 0.2 . 1 . . . A 144 THR C . 18989 1 1637 . 1 1 144 144 THR CA C 13 67 0.2 . 1 . . . A 144 THR CA . 18989 1 1638 . 1 1 144 144 THR CB C 13 69.5 0.2 . 1 . . . A 144 THR CB . 18989 1 1639 . 1 1 144 144 THR CG2 C 13 23.4 0.2 . 1 . . . A 144 THR CG2 . 18989 1 1640 . 1 1 144 144 THR N N 15 119.9 0.2 . 1 . . . A 144 THR N . 18989 1 1641 . 1 1 145 145 LEU H H 1 8.43 0.02 . 1 . . . A 145 LEU H . 18989 1 1642 . 1 1 145 145 LEU HA H 1 3.91 0.02 . 1 . . . A 145 LEU HA . 18989 1 1643 . 1 1 145 145 LEU HB2 H 1 1.95 0.02 . 2 . . . A 145 LEU HB2 . 18989 1 1644 . 1 1 145 145 LEU HB3 H 1 1.3 0.02 . 2 . . . A 145 LEU HB3 . 18989 1 1645 . 1 1 145 145 LEU HG H 1 0.77 0.02 . 1 . . . A 145 LEU HG . 18989 1 1646 . 1 1 145 145 LEU HD11 H 1 0.9 0.02 . 2 . . . A 145 LEU HD11 . 18989 1 1647 . 1 1 145 145 LEU HD12 H 1 0.9 0.02 . 2 . . . A 145 LEU HD12 . 18989 1 1648 . 1 1 145 145 LEU HD13 H 1 0.9 0.02 . 2 . . . A 145 LEU HD13 . 18989 1 1649 . 1 1 145 145 LEU HD21 H 1 0.88 0.02 . 2 . . . A 145 LEU HD21 . 18989 1 1650 . 1 1 145 145 LEU HD22 H 1 0.88 0.02 . 2 . . . A 145 LEU HD22 . 18989 1 1651 . 1 1 145 145 LEU HD23 H 1 0.88 0.02 . 2 . . . A 145 LEU HD23 . 18989 1 1652 . 1 1 145 145 LEU C C 13 178.7 0.2 . 1 . . . A 145 LEU C . 18989 1 1653 . 1 1 145 145 LEU CA C 13 58.6 0.2 . 1 . . . A 145 LEU CA . 18989 1 1654 . 1 1 145 145 LEU CB C 13 40.5 0.2 . 1 . . . A 145 LEU CB . 18989 1 1655 . 1 1 145 145 LEU CG C 13 26.4 0.2 . 1 . . . A 145 LEU CG . 18989 1 1656 . 1 1 145 145 LEU CD2 C 13 22.3 0.2 . 2 . . . A 145 LEU CD2 . 18989 1 1657 . 1 1 145 145 LEU N N 15 120.3 0.2 . 1 . . . A 145 LEU N . 18989 1 1658 . 1 1 146 146 VAL H H 1 7.67 0.02 . 1 . . . A 146 VAL H . 18989 1 1659 . 1 1 146 146 VAL HA H 1 3.68 0.02 . 1 . . . A 146 VAL HA . 18989 1 1660 . 1 1 146 146 VAL HB H 1 2.12 0.02 . 1 . . . A 146 VAL HB . 18989 1 1661 . 1 1 146 146 VAL HG11 H 1 0.95 0.02 . 2 . . . A 146 VAL HG11 . 18989 1 1662 . 1 1 146 146 VAL HG12 H 1 0.95 0.02 . 2 . . . A 146 VAL HG12 . 18989 1 1663 . 1 1 146 146 VAL HG13 H 1 0.95 0.02 . 2 . . . A 146 VAL HG13 . 18989 1 1664 . 1 1 146 146 VAL HG21 H 1 1.14 0.02 . 2 . . . A 146 VAL HG21 . 18989 1 1665 . 1 1 146 146 VAL HG22 H 1 1.14 0.02 . 2 . . . A 146 VAL HG22 . 18989 1 1666 . 1 1 146 146 VAL HG23 H 1 1.14 0.02 . 2 . . . A 146 VAL HG23 . 18989 1 1667 . 1 1 146 146 VAL C C 13 177.7 0.2 . 1 . . . A 146 VAL C . 18989 1 1668 . 1 1 146 146 VAL CA C 13 66.1 0.2 . 1 . . . A 146 VAL CA . 18989 1 1669 . 1 1 146 146 VAL CB C 13 32 0.2 . 1 . . . A 146 VAL CB . 18989 1 1670 . 1 1 146 146 VAL CG1 C 13 19 0.2 . 2 . . . A 146 VAL CG1 . 18989 1 1671 . 1 1 146 146 VAL CG2 C 13 23.5 0.2 . 2 . . . A 146 VAL CG2 . 18989 1 1672 . 1 1 146 146 VAL N N 15 117.6 0.2 . 1 . . . A 146 VAL N . 18989 1 1673 . 1 1 147 147 ALA H H 1 7.82 0.02 . 1 . . . A 147 ALA H . 18989 1 1674 . 1 1 147 147 ALA HA H 1 4.23 0.02 . 1 . . . A 147 ALA HA . 18989 1 1675 . 1 1 147 147 ALA HB1 H 1 1.86 0.02 . 1 . . . A 147 ALA HB1 . 18989 1 1676 . 1 1 147 147 ALA HB2 H 1 1.86 0.02 . 1 . . . A 147 ALA HB2 . 18989 1 1677 . 1 1 147 147 ALA HB3 H 1 1.86 0.02 . 1 . . . A 147 ALA HB3 . 18989 1 1678 . 1 1 147 147 ALA C C 13 180.4 0.2 . 1 . . . A 147 ALA C . 18989 1 1679 . 1 1 147 147 ALA CA C 13 55.6 0.2 . 1 . . . A 147 ALA CA . 18989 1 1680 . 1 1 147 147 ALA CB C 13 18.8 0.2 . 1 . . . A 147 ALA CB . 18989 1 1681 . 1 1 147 147 ALA N N 15 123.6 0.2 . 1 . . . A 147 ALA N . 18989 1 1682 . 1 1 148 148 ILE H H 1 8.35 0.02 . 1 . . . A 148 ILE H . 18989 1 1683 . 1 1 148 148 ILE HA H 1 3.31 0.02 . 1 . . . A 148 ILE HA . 18989 1 1684 . 1 1 148 148 ILE HB H 1 1.57 0.02 . 1 . . . A 148 ILE HB . 18989 1 1685 . 1 1 148 148 ILE HG12 H 1 1.4 0.02 . 2 . . . A 148 ILE HG12 . 18989 1 1686 . 1 1 148 148 ILE HG13 H 1 -0.23 0.02 . 2 . . . A 148 ILE HG13 . 18989 1 1687 . 1 1 148 148 ILE HG21 H 1 0.35 0.02 . 1 . . . A 148 ILE HG21 . 18989 1 1688 . 1 1 148 148 ILE HG22 H 1 0.35 0.02 . 1 . . . A 148 ILE HG22 . 18989 1 1689 . 1 1 148 148 ILE HG23 H 1 0.35 0.02 . 1 . . . A 148 ILE HG23 . 18989 1 1690 . 1 1 148 148 ILE HD11 H 1 -0.17 0.02 . 1 . . . A 148 ILE HD11 . 18989 1 1691 . 1 1 148 148 ILE HD12 H 1 -0.17 0.02 . 1 . . . A 148 ILE HD12 . 18989 1 1692 . 1 1 148 148 ILE HD13 H 1 -0.17 0.02 . 1 . . . A 148 ILE HD13 . 18989 1 1693 . 1 1 148 148 ILE C C 13 177.1 0.2 . 1 . . . A 148 ILE C . 18989 1 1694 . 1 1 148 148 ILE CA C 13 66.3 0.2 . 1 . . . A 148 ILE CA . 18989 1 1695 . 1 1 148 148 ILE CB C 13 38.2 0.2 . 1 . . . A 148 ILE CB . 18989 1 1696 . 1 1 148 148 ILE CG1 C 13 30 0.2 . 1 . . . A 148 ILE CG1 . 18989 1 1697 . 1 1 148 148 ILE CG2 C 13 16.7 0.2 . 1 . . . A 148 ILE CG2 . 18989 1 1698 . 1 1 148 148 ILE CD1 C 13 13.6 0.2 . 1 . . . A 148 ILE CD1 . 18989 1 1699 . 1 1 148 148 ILE N N 15 119.6 0.2 . 1 . . . A 148 ILE N . 18989 1 1700 . 1 1 149 149 GLN H H 1 8.23 0.02 . 1 . . . A 149 GLN H . 18989 1 1701 . 1 1 149 149 GLN HA H 1 3.67 0.02 . 1 . . . A 149 GLN HA . 18989 1 1702 . 1 1 149 149 GLN HB2 H 1 2.63 0.02 . 2 . . . A 149 GLN HB2 . 18989 1 1703 . 1 1 149 149 GLN HB3 H 1 1.86 0.02 . 2 . . . A 149 GLN HB3 . 18989 1 1704 . 1 1 149 149 GLN HG2 H 1 2.34 0.02 . 2 . . . A 149 GLN HG2 . 18989 1 1705 . 1 1 149 149 GLN HG3 H 1 2.04 0.02 . 2 . . . A 149 GLN HG3 . 18989 1 1706 . 1 1 149 149 GLN HE21 H 1 7.76 0.02 . 2 . . . A 149 GLN HE21 . 18989 1 1707 . 1 1 149 149 GLN HE22 H 1 6.77 0.02 . 2 . . . A 149 GLN HE22 . 18989 1 1708 . 1 1 149 149 GLN C C 13 178 0.2 . 1 . . . A 149 GLN C . 18989 1 1709 . 1 1 149 149 GLN CA C 13 60.1 0.2 . 1 . . . A 149 GLN CA . 18989 1 1710 . 1 1 149 149 GLN CB C 13 29.6 0.2 . 1 . . . A 149 GLN CB . 18989 1 1711 . 1 1 149 149 GLN CG C 13 34 0.2 . 1 . . . A 149 GLN CG . 18989 1 1712 . 1 1 149 149 GLN N N 15 119.2 0.2 . 1 . . . A 149 GLN N . 18989 1 1713 . 1 1 149 149 GLN NE2 N 15 113.3 0.2 . 1 . . . A 149 GLN NE2 . 18989 1 1714 . 1 1 150 150 ARG H H 1 8.32 0.02 . 1 . . . A 150 ARG H . 18989 1 1715 . 1 1 150 150 ARG HA H 1 4.05 0.02 . 1 . . . A 150 ARG HA . 18989 1 1716 . 1 1 150 150 ARG HB2 H 1 2.01 0.02 . 2 . . . A 150 ARG HB2 . 18989 1 1717 . 1 1 150 150 ARG HB3 H 1 2.01 0.02 . 2 . . . A 150 ARG HB3 . 18989 1 1718 . 1 1 150 150 ARG HG2 H 1 1.82 0.02 . 2 . . . A 150 ARG HG2 . 18989 1 1719 . 1 1 150 150 ARG HG3 H 1 1.69 0.02 . 2 . . . A 150 ARG HG3 . 18989 1 1720 . 1 1 150 150 ARG HD2 H 1 3.26 0.02 . 2 . . . A 150 ARG HD2 . 18989 1 1721 . 1 1 150 150 ARG HD3 H 1 3.26 0.02 . 2 . . . A 150 ARG HD3 . 18989 1 1722 . 1 1 150 150 ARG C C 13 179 0.2 . 1 . . . A 150 ARG C . 18989 1 1723 . 1 1 150 150 ARG CA C 13 59.3 0.2 . 1 . . . A 150 ARG CA . 18989 1 1724 . 1 1 150 150 ARG CB C 13 30 0.2 . 1 . . . A 150 ARG CB . 18989 1 1725 . 1 1 150 150 ARG CG C 13 27.4 0.2 . 1 . . . A 150 ARG CG . 18989 1 1726 . 1 1 150 150 ARG CD C 13 43.3 0.2 . 1 . . . A 150 ARG CD . 18989 1 1727 . 1 1 150 150 ARG N N 15 120.5 0.2 . 1 . . . A 150 ARG N . 18989 1 1728 . 1 1 151 151 ILE H H 1 7.94 0.02 . 1 . . . A 151 ILE H . 18989 1 1729 . 1 1 151 151 ILE HA H 1 3.65 0.02 . 1 . . . A 151 ILE HA . 18989 1 1730 . 1 1 151 151 ILE HB H 1 1.85 0.02 . 1 . . . A 151 ILE HB . 18989 1 1731 . 1 1 151 151 ILE HG12 H 1 1.18 0.02 . 2 . . . A 151 ILE HG12 . 18989 1 1732 . 1 1 151 151 ILE HG13 H 1 1.18 0.02 . 2 . . . A 151 ILE HG13 . 18989 1 1733 . 1 1 151 151 ILE HG21 H 1 0.89 0.02 . 1 . . . A 151 ILE HG21 . 18989 1 1734 . 1 1 151 151 ILE HG22 H 1 0.89 0.02 . 1 . . . A 151 ILE HG22 . 18989 1 1735 . 1 1 151 151 ILE HG23 H 1 0.89 0.02 . 1 . . . A 151 ILE HG23 . 18989 1 1736 . 1 1 151 151 ILE HD11 H 1 0.69 0.02 . 1 . . . A 151 ILE HD11 . 18989 1 1737 . 1 1 151 151 ILE HD12 H 1 0.69 0.02 . 1 . . . A 151 ILE HD12 . 18989 1 1738 . 1 1 151 151 ILE HD13 H 1 0.69 0.02 . 1 . . . A 151 ILE HD13 . 18989 1 1739 . 1 1 151 151 ILE C C 13 178.5 0.2 . 1 . . . A 151 ILE C . 18989 1 1740 . 1 1 151 151 ILE CA C 13 65.3 0.2 . 1 . . . A 151 ILE CA . 18989 1 1741 . 1 1 151 151 ILE CB C 13 39 0.2 . 1 . . . A 151 ILE CB . 18989 1 1742 . 1 1 151 151 ILE CG1 C 13 29.4 0.2 . 1 . . . A 151 ILE CG1 . 18989 1 1743 . 1 1 151 151 ILE CG2 C 13 17.6 0.2 . 1 . . . A 151 ILE CG2 . 18989 1 1744 . 1 1 151 151 ILE CD1 C 13 15.2 0.2 . 1 . . . A 151 ILE CD1 . 18989 1 1745 . 1 1 151 151 ILE N N 15 119.1 0.2 . 1 . . . A 151 ILE N . 18989 1 1746 . 1 1 152 152 LEU H H 1 7.61 0.02 . 1 . . . A 152 LEU H . 18989 1 1747 . 1 1 152 152 LEU HA H 1 4.08 0.02 . 1 . . . A 152 LEU HA . 18989 1 1748 . 1 1 152 152 LEU HB2 H 1 1.7 0.02 . 2 . . . A 152 LEU HB2 . 18989 1 1749 . 1 1 152 152 LEU HB3 H 1 1.13 0.02 . 2 . . . A 152 LEU HB3 . 18989 1 1750 . 1 1 152 152 LEU HG H 1 1.63 0.02 . 1 . . . A 152 LEU HG . 18989 1 1751 . 1 1 152 152 LEU HD11 H 1 0.76 0.02 . 2 . . . A 152 LEU HD11 . 18989 1 1752 . 1 1 152 152 LEU HD12 H 1 0.76 0.02 . 2 . . . A 152 LEU HD12 . 18989 1 1753 . 1 1 152 152 LEU HD13 H 1 0.76 0.02 . 2 . . . A 152 LEU HD13 . 18989 1 1754 . 1 1 152 152 LEU HD21 H 1 0.76 0.02 . 2 . . . A 152 LEU HD21 . 18989 1 1755 . 1 1 152 152 LEU HD22 H 1 0.76 0.02 . 2 . . . A 152 LEU HD22 . 18989 1 1756 . 1 1 152 152 LEU HD23 H 1 0.76 0.02 . 2 . . . A 152 LEU HD23 . 18989 1 1757 . 1 1 152 152 LEU C C 13 178.7 0.2 . 1 . . . A 152 LEU C . 18989 1 1758 . 1 1 152 152 LEU CA C 13 57 0.2 . 1 . . . A 152 LEU CA . 18989 1 1759 . 1 1 152 152 LEU CB C 13 42.9 0.2 . 1 . . . A 152 LEU CB . 18989 1 1760 . 1 1 152 152 LEU CG C 13 27.3 0.2 . 1 . . . A 152 LEU CG . 18989 1 1761 . 1 1 152 152 LEU CD1 C 13 23.5 0.2 . 2 . . . A 152 LEU CD1 . 18989 1 1762 . 1 1 152 152 LEU CD2 C 13 23.5 0.2 . 2 . . . A 152 LEU CD2 . 18989 1 1763 . 1 1 152 152 LEU N N 15 117.1 0.2 . 1 . . . A 152 LEU N . 18989 1 1764 . 1 1 153 153 GLU H H 1 8.32 0.02 . 1 . . . A 153 GLU H . 18989 1 1765 . 1 1 153 153 GLU HA H 1 4.17 0.02 . 1 . . . A 153 GLU HA . 18989 1 1766 . 1 1 153 153 GLU HB2 H 1 2.14 0.02 . 2 . . . A 153 GLU HB2 . 18989 1 1767 . 1 1 153 153 GLU HB3 H 1 2.08 0.02 . 2 . . . A 153 GLU HB3 . 18989 1 1768 . 1 1 153 153 GLU HG2 H 1 2.7 0.02 . 2 . . . A 153 GLU HG2 . 18989 1 1769 . 1 1 153 153 GLU HG3 H 1 2.07 0.02 . 2 . . . A 153 GLU HG3 . 18989 1 1770 . 1 1 153 153 GLU C C 13 178.3 0.2 . 1 . . . A 153 GLU C . 18989 1 1771 . 1 1 153 153 GLU CA C 13 58.7 0.2 . 1 . . . A 153 GLU CA . 18989 1 1772 . 1 1 153 153 GLU CB C 13 29.3 0.2 . 1 . . . A 153 GLU CB . 18989 1 1773 . 1 1 153 153 GLU CG C 13 38 0.2 . 1 . . . A 153 GLU CG . 18989 1 1774 . 1 1 153 153 GLU N N 15 117.8 0.2 . 1 . . . A 153 GLU N . 18989 1 1775 . 1 1 154 154 VAL H H 1 7.9 0.02 . 1 . . . A 154 VAL H . 18989 1 1776 . 1 1 154 154 VAL HA H 1 4 0.02 . 1 . . . A 154 VAL HA . 18989 1 1777 . 1 1 154 154 VAL HB H 1 2.24 0.02 . 1 . . . A 154 VAL HB . 18989 1 1778 . 1 1 154 154 VAL HG11 H 1 0.97 0.02 . 2 . . . A 154 VAL HG11 . 18989 1 1779 . 1 1 154 154 VAL HG12 H 1 0.97 0.02 . 2 . . . A 154 VAL HG12 . 18989 1 1780 . 1 1 154 154 VAL HG13 H 1 0.97 0.02 . 2 . . . A 154 VAL HG13 . 18989 1 1781 . 1 1 154 154 VAL HG21 H 1 1.06 0.02 . 2 . . . A 154 VAL HG21 . 18989 1 1782 . 1 1 154 154 VAL HG22 H 1 1.06 0.02 . 2 . . . A 154 VAL HG22 . 18989 1 1783 . 1 1 154 154 VAL HG23 H 1 1.06 0.02 . 2 . . . A 154 VAL HG23 . 18989 1 1784 . 1 1 154 154 VAL C C 13 177.5 0.2 . 1 . . . A 154 VAL C . 18989 1 1785 . 1 1 154 154 VAL CA C 13 64.7 0.2 . 1 . . . A 154 VAL CA . 18989 1 1786 . 1 1 154 154 VAL CB C 13 32.2 0.2 . 1 . . . A 154 VAL CB . 18989 1 1787 . 1 1 154 154 VAL CG1 C 13 21.3 0.2 . 2 . . . A 154 VAL CG1 . 18989 1 1788 . 1 1 154 154 VAL CG2 C 13 22.1 0.2 . 2 . . . A 154 VAL CG2 . 18989 1 1789 . 1 1 154 154 VAL N N 15 119.5 0.2 . 1 . . . A 154 VAL N . 18989 1 1790 . 1 1 155 155 GLU H H 1 8.12 0.02 . 1 . . . A 155 GLU H . 18989 1 1791 . 1 1 155 155 GLU HA H 1 4.18 0.02 . 1 . . . A 155 GLU HA . 18989 1 1792 . 1 1 155 155 GLU HB2 H 1 2.07 0.02 . 2 . . . A 155 GLU HB2 . 18989 1 1793 . 1 1 155 155 GLU HB3 H 1 2.07 0.02 . 2 . . . A 155 GLU HB3 . 18989 1 1794 . 1 1 155 155 GLU HG2 H 1 2.45 0.02 . 2 . . . A 155 GLU HG2 . 18989 1 1795 . 1 1 155 155 GLU HG3 H 1 2.45 0.02 . 2 . . . A 155 GLU HG3 . 18989 1 1796 . 1 1 155 155 GLU C C 13 177.6 0.2 . 1 . . . A 155 GLU C . 18989 1 1797 . 1 1 155 155 GLU CA C 13 58 0.2 . 1 . . . A 155 GLU CA . 18989 1 1798 . 1 1 155 155 GLU CB C 13 29.7 0.2 . 1 . . . A 155 GLU CB . 18989 1 1799 . 1 1 155 155 GLU CG C 13 36.6 0.2 . 1 . . . A 155 GLU CG . 18989 1 1800 . 1 1 155 155 GLU N N 15 121.3 0.2 . 1 . . . A 155 GLU N . 18989 1 1801 . 1 1 156 156 LEU H H 1 7.9 0.02 . 1 . . . A 156 LEU H . 18989 1 1802 . 1 1 156 156 LEU HA H 1 4.23 0.02 . 1 . . . A 156 LEU HA . 18989 1 1803 . 1 1 156 156 LEU HB2 H 1 1.72 0.02 . 2 . . . A 156 LEU HB2 . 18989 1 1804 . 1 1 156 156 LEU HB3 H 1 1.59 0.02 . 2 . . . A 156 LEU HB3 . 18989 1 1805 . 1 1 156 156 LEU HG H 1 1.71 0.02 . 1 . . . A 156 LEU HG . 18989 1 1806 . 1 1 156 156 LEU HD11 H 1 0.98 0.02 . 2 . . . A 156 LEU HD11 . 18989 1 1807 . 1 1 156 156 LEU HD12 H 1 0.98 0.02 . 2 . . . A 156 LEU HD12 . 18989 1 1808 . 1 1 156 156 LEU HD13 H 1 0.98 0.02 . 2 . . . A 156 LEU HD13 . 18989 1 1809 . 1 1 156 156 LEU HD21 H 1 0.92 0.02 . 2 . . . A 156 LEU HD21 . 18989 1 1810 . 1 1 156 156 LEU HD22 H 1 0.92 0.02 . 2 . . . A 156 LEU HD22 . 18989 1 1811 . 1 1 156 156 LEU HD23 H 1 0.92 0.02 . 2 . . . A 156 LEU HD23 . 18989 1 1812 . 1 1 156 156 LEU C C 13 178 0.2 . 1 . . . A 156 LEU C . 18989 1 1813 . 1 1 156 156 LEU CA C 13 56.2 0.2 . 1 . . . A 156 LEU CA . 18989 1 1814 . 1 1 156 156 LEU CB C 13 42.3 0.2 . 1 . . . A 156 LEU CB . 18989 1 1815 . 1 1 156 156 LEU CG C 13 27.3 0.2 . 1 . . . A 156 LEU CG . 18989 1 1816 . 1 1 156 156 LEU CD1 C 13 25.3 0.2 . 1 . . . A 156 LEU CD1 . 18989 1 1817 . 1 1 156 156 LEU CD2 C 13 23.8 0.2 . 2 . . . A 156 LEU CD2 . 18989 1 1818 . 1 1 156 156 LEU N N 15 120.8 0.2 . 1 . . . A 156 LEU N . 18989 1 1819 . 1 1 157 157 GLU H H 1 8.06 0.02 . 1 . . . A 157 GLU H . 18989 1 1820 . 1 1 157 157 GLU HA H 1 4.13 0.02 . 1 . . . A 157 GLU HA . 18989 1 1821 . 1 1 157 157 GLU HB2 H 1 1.99 0.02 . 2 . . . A 157 GLU HB2 . 18989 1 1822 . 1 1 157 157 GLU HB3 H 1 1.99 0.02 . 2 . . . A 157 GLU HB3 . 18989 1 1823 . 1 1 157 157 GLU HG2 H 1 2.25 0.02 . 2 . . . A 157 GLU HG2 . 18989 1 1824 . 1 1 157 157 GLU HG3 H 1 2.14 0.02 . 2 . . . A 157 GLU HG3 . 18989 1 1825 . 1 1 157 157 GLU C C 13 177 0.2 . 1 . . . A 157 GLU C . 18989 1 1826 . 1 1 157 157 GLU CA C 13 57.4 0.2 . 1 . . . A 157 GLU CA . 18989 1 1827 . 1 1 157 157 GLU CB C 13 29.8 0.2 . 1 . . . A 157 GLU CB . 18989 1 1828 . 1 1 157 157 GLU CG C 13 35.8 0.2 . 1 . . . A 157 GLU CG . 18989 1 1829 . 1 1 157 157 GLU N N 15 119.7 0.2 . 1 . . . A 157 GLU N . 18989 1 1830 . 1 1 158 158 HIS H H 1 8.19 0.02 . 1 . . . A 158 HIS H . 18989 1 1831 . 1 1 158 158 HIS HA H 1 4.63 0.02 . 1 . . . A 158 HIS HA . 18989 1 1832 . 1 1 158 158 HIS HB2 H 1 3.13 0.02 . 2 . . . A 158 HIS HB2 . 18989 1 1833 . 1 1 158 158 HIS HB3 H 1 3.13 0.02 . 2 . . . A 158 HIS HB3 . 18989 1 1834 . 1 1 158 158 HIS C C 13 173.9 0.2 . 1 . . . A 158 HIS C . 18989 1 1835 . 1 1 158 158 HIS CA C 13 56 0.2 . 1 . . . A 158 HIS CA . 18989 1 1836 . 1 1 158 158 HIS CB C 13 30 0.2 . 1 . . . A 158 HIS CB . 18989 1 1837 . 1 1 158 158 HIS N N 15 117.7 0.2 . 1 . . . A 158 HIS N . 18989 1 1838 . 1 1 159 159 HIS H H 1 8.14 0.02 . 1 . . . A 159 HIS H . 18989 1 1839 . 1 1 159 159 HIS HA H 1 4.44 0.02 . 1 . . . A 159 HIS HA . 18989 1 1840 . 1 1 159 159 HIS CA C 13 57.3 0.2 . 1 . . . A 159 HIS CA . 18989 1 1841 . 1 1 159 159 HIS CB C 13 28.8 0.2 . 1 . . . A 159 HIS CB . 18989 1 1842 . 1 1 159 159 HIS N N 15 125.2 0.2 . 1 . . . A 159 HIS N . 18989 1 stop_ save_