data_25533 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25533 _Entry.Title ; 1H, 13C and 15N assignments of EGF domains 8 to 11 of human Notch-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-12 _Entry.Accession_date 2015-03-17 _Entry.Last_release_date 2015-06-04 _Entry.Original_release_date 2015-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Penny Handford . A. . . 25533 2 Christina Redfield . . . . 25533 3 Philip Weisshuhn . C. . . 25533 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry, Oxford University' . 25533 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25533 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 25533 '15N chemical shifts' 161 25533 '1H chemical shifts' 794 25533 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-29 2015-03-12 update BMRB 'update entry citation' 25533 1 . . 2015-06-04 2015-03-12 original author 'original release' 25533 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25533 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25930016 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N assignments of EGF domains 8-11 of human Notch-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 375 _Citation.Page_last 379 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Philip Weisshuhn . C. . . 25533 1 2 Penny Handford . A. . . 25533 1 3 Christina Redfield . . . . 25533 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EGF domain' 25533 1 'Human Notch-1' 25533 1 'NMR resonance assignment' 25533 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25533 _Assembly.ID 1 _Assembly.Name 'Ca-bound hN-1 8-11' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'hN-1 8-11' 1 $hN-1_8-11 A . yes native no no . protein 'four EGF-domain-containing protein (EGF8-EGF9-EGF10-EGF11)' 25533 1 2 'Ca2+, 1' 2 $entity_CA A . no na no no . . 'calcium ion bound to EGF8' 25533 1 3 'Ca2+, 2' 2 $entity_CA A . no na no no . . 'calcium ion bound to EGF9' 25533 1 4 'Ca2+, 3' 2 $entity_CA A . no na no no . . 'calcium ion bound to EGF11' 25533 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 7 7 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 20 20 SG . . 7 CYS . . . 20 CYS . 25533 1 2 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 14 14 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 29 29 SG . . 14 CYS . . . 29 CYS . 25533 1 3 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 31 31 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 40 40 SG . . 31 CYS . . . 40 CYS . 25533 1 4 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 47 47 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 58 58 SG . . 47 CYS . . . 58 CYS . 25533 1 5 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 52 52 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 67 67 SG . . 52 CYS . . . 67 CYS . 25533 1 6 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 69 69 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 78 78 SG . . 69 CYS . . . 78 CYS . 25533 1 7 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 84 84 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 95 95 SG . . 84 CYS . . . 95 CYS . 25533 1 8 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 89 89 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 106 106 SG . . 89 CYS . . . 106 CYS . 25533 1 9 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 108 108 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 117 117 SG . . 108 CYS . . . 117 CYS . 25533 1 10 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 124 124 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 137 137 SG . . 124 CYS . . . 137 CYS . 25533 1 11 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 131 131 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 146 146 SG . . 131 CYS . . . 146 CYS . 25533 1 12 disulfide single . 1 'Ca-bound hN-1 8-11' 1 CYS 148 148 SG . 1 'Ca-bound hN-1 8-11' 1 CYS 157 157 SG . . 148 CYS . . . 157 CYS . 25533 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hN-1_8-11 _Entity.Sf_category entity _Entity.Sf_framecode hN-1_8-11 _Entity.Entry_ID 25533 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hN-1_8-11 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SADVDECQLMPNACQNGGTC HNTHGGYNCVCVNGWTGEDC SENIDDCASAACFHGATCHD RVASFYCECPHGRTGLLCHL NDACISNPCNEGSNCDTNPV NGKAICTCPSGYTGPACSQD VDECSLGANPCEHAGKCINT LGSFECQCLQGYTGPRCEI ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'EGF8 EGF9 EGF10 EGF11' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 SER . 25533 1 2 2 ALA . 25533 1 3 3 ASP . 25533 1 4 4 VAL . 25533 1 5 5 ASP . 25533 1 6 6 GLU . 25533 1 7 7 CYS . 25533 1 8 8 GLN . 25533 1 9 9 LEU . 25533 1 10 10 MET . 25533 1 11 11 PRO . 25533 1 12 12 ASN . 25533 1 13 13 ALA . 25533 1 14 14 CYS . 25533 1 15 15 GLN . 25533 1 16 16 ASN . 25533 1 17 17 GLY . 25533 1 18 18 GLY . 25533 1 19 19 THR . 25533 1 20 20 CYS . 25533 1 21 21 HIS . 25533 1 22 22 ASN . 25533 1 23 23 THR . 25533 1 24 24 HIS . 25533 1 25 25 GLY . 25533 1 26 26 GLY . 25533 1 27 27 TYR . 25533 1 28 28 ASN . 25533 1 29 29 CYS . 25533 1 30 30 VAL . 25533 1 31 31 CYS . 25533 1 32 32 VAL . 25533 1 33 33 ASN . 25533 1 34 34 GLY . 25533 1 35 35 TRP . 25533 1 36 36 THR . 25533 1 37 37 GLY . 25533 1 38 38 GLU . 25533 1 39 39 ASP . 25533 1 40 40 CYS . 25533 1 41 41 SER . 25533 1 42 42 GLU . 25533 1 43 43 ASN . 25533 1 44 44 ILE . 25533 1 45 45 ASP . 25533 1 46 46 ASP . 25533 1 47 47 CYS . 25533 1 48 48 ALA . 25533 1 49 49 SER . 25533 1 50 50 ALA . 25533 1 51 51 ALA . 25533 1 52 52 CYS . 25533 1 53 53 PHE . 25533 1 54 54 HIS . 25533 1 55 55 GLY . 25533 1 56 56 ALA . 25533 1 57 57 THR . 25533 1 58 58 CYS . 25533 1 59 59 HIS . 25533 1 60 60 ASP . 25533 1 61 61 ARG . 25533 1 62 62 VAL . 25533 1 63 63 ALA . 25533 1 64 64 SER . 25533 1 65 65 PHE . 25533 1 66 66 TYR . 25533 1 67 67 CYS . 25533 1 68 68 GLU . 25533 1 69 69 CYS . 25533 1 70 70 PRO . 25533 1 71 71 HIS . 25533 1 72 72 GLY . 25533 1 73 73 ARG . 25533 1 74 74 THR . 25533 1 75 75 GLY . 25533 1 76 76 LEU . 25533 1 77 77 LEU . 25533 1 78 78 CYS . 25533 1 79 79 HIS . 25533 1 80 80 LEU . 25533 1 81 81 ASN . 25533 1 82 82 ASP . 25533 1 83 83 ALA . 25533 1 84 84 CYS . 25533 1 85 85 ILE . 25533 1 86 86 SER . 25533 1 87 87 ASN . 25533 1 88 88 PRO . 25533 1 89 89 CYS . 25533 1 90 90 ASN . 25533 1 91 91 GLU . 25533 1 92 92 GLY . 25533 1 93 93 SER . 25533 1 94 94 ASN . 25533 1 95 95 CYS . 25533 1 96 96 ASP . 25533 1 97 97 THR . 25533 1 98 98 ASN . 25533 1 99 99 PRO . 25533 1 100 100 VAL . 25533 1 101 101 ASN . 25533 1 102 102 GLY . 25533 1 103 103 LYS . 25533 1 104 104 ALA . 25533 1 105 105 ILE . 25533 1 106 106 CYS . 25533 1 107 107 THR . 25533 1 108 108 CYS . 25533 1 109 109 PRO . 25533 1 110 110 SER . 25533 1 111 111 GLY . 25533 1 112 112 TYR . 25533 1 113 113 THR . 25533 1 114 114 GLY . 25533 1 115 115 PRO . 25533 1 116 116 ALA . 25533 1 117 117 CYS . 25533 1 118 118 SER . 25533 1 119 119 GLN . 25533 1 120 120 ASP . 25533 1 121 121 VAL . 25533 1 122 122 ASP . 25533 1 123 123 GLU . 25533 1 124 124 CYS . 25533 1 125 125 SER . 25533 1 126 126 LEU . 25533 1 127 127 GLY . 25533 1 128 128 ALA . 25533 1 129 129 ASN . 25533 1 130 130 PRO . 25533 1 131 131 CYS . 25533 1 132 132 GLU . 25533 1 133 133 HIS . 25533 1 134 134 ALA . 25533 1 135 135 GLY . 25533 1 136 136 LYS . 25533 1 137 137 CYS . 25533 1 138 138 ILE . 25533 1 139 139 ASN . 25533 1 140 140 THR . 25533 1 141 141 LEU . 25533 1 142 142 GLY . 25533 1 143 143 SER . 25533 1 144 144 PHE . 25533 1 145 145 GLU . 25533 1 146 146 CYS . 25533 1 147 147 GLN . 25533 1 148 148 CYS . 25533 1 149 149 LEU . 25533 1 150 150 GLN . 25533 1 151 151 GLY . 25533 1 152 152 TYR . 25533 1 153 153 THR . 25533 1 154 154 GLY . 25533 1 155 155 PRO . 25533 1 156 156 ARG . 25533 1 157 157 CYS . 25533 1 158 158 GLU . 25533 1 159 159 ILE . 25533 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25533 1 . ALA 2 2 25533 1 . ASP 3 3 25533 1 . VAL 4 4 25533 1 . ASP 5 5 25533 1 . GLU 6 6 25533 1 . CYS 7 7 25533 1 . GLN 8 8 25533 1 . LEU 9 9 25533 1 . MET 10 10 25533 1 . PRO 11 11 25533 1 . ASN 12 12 25533 1 . ALA 13 13 25533 1 . CYS 14 14 25533 1 . GLN 15 15 25533 1 . ASN 16 16 25533 1 . GLY 17 17 25533 1 . GLY 18 18 25533 1 . THR 19 19 25533 1 . CYS 20 20 25533 1 . HIS 21 21 25533 1 . ASN 22 22 25533 1 . THR 23 23 25533 1 . HIS 24 24 25533 1 . GLY 25 25 25533 1 . GLY 26 26 25533 1 . TYR 27 27 25533 1 . ASN 28 28 25533 1 . CYS 29 29 25533 1 . VAL 30 30 25533 1 . CYS 31 31 25533 1 . VAL 32 32 25533 1 . ASN 33 33 25533 1 . GLY 34 34 25533 1 . TRP 35 35 25533 1 . THR 36 36 25533 1 . GLY 37 37 25533 1 . GLU 38 38 25533 1 . ASP 39 39 25533 1 . CYS 40 40 25533 1 . SER 41 41 25533 1 . GLU 42 42 25533 1 . ASN 43 43 25533 1 . ILE 44 44 25533 1 . ASP 45 45 25533 1 . ASP 46 46 25533 1 . CYS 47 47 25533 1 . ALA 48 48 25533 1 . SER 49 49 25533 1 . ALA 50 50 25533 1 . ALA 51 51 25533 1 . CYS 52 52 25533 1 . PHE 53 53 25533 1 . HIS 54 54 25533 1 . GLY 55 55 25533 1 . ALA 56 56 25533 1 . THR 57 57 25533 1 . CYS 58 58 25533 1 . HIS 59 59 25533 1 . ASP 60 60 25533 1 . ARG 61 61 25533 1 . VAL 62 62 25533 1 . ALA 63 63 25533 1 . SER 64 64 25533 1 . PHE 65 65 25533 1 . TYR 66 66 25533 1 . CYS 67 67 25533 1 . GLU 68 68 25533 1 . CYS 69 69 25533 1 . PRO 70 70 25533 1 . HIS 71 71 25533 1 . GLY 72 72 25533 1 . ARG 73 73 25533 1 . THR 74 74 25533 1 . GLY 75 75 25533 1 . LEU 76 76 25533 1 . LEU 77 77 25533 1 . CYS 78 78 25533 1 . HIS 79 79 25533 1 . LEU 80 80 25533 1 . ASN 81 81 25533 1 . ASP 82 82 25533 1 . ALA 83 83 25533 1 . CYS 84 84 25533 1 . ILE 85 85 25533 1 . SER 86 86 25533 1 . ASN 87 87 25533 1 . PRO 88 88 25533 1 . CYS 89 89 25533 1 . ASN 90 90 25533 1 . GLU 91 91 25533 1 . GLY 92 92 25533 1 . SER 93 93 25533 1 . ASN 94 94 25533 1 . CYS 95 95 25533 1 . ASP 96 96 25533 1 . THR 97 97 25533 1 . ASN 98 98 25533 1 . PRO 99 99 25533 1 . VAL 100 100 25533 1 . ASN 101 101 25533 1 . GLY 102 102 25533 1 . LYS 103 103 25533 1 . ALA 104 104 25533 1 . ILE 105 105 25533 1 . CYS 106 106 25533 1 . THR 107 107 25533 1 . CYS 108 108 25533 1 . PRO 109 109 25533 1 . SER 110 110 25533 1 . GLY 111 111 25533 1 . TYR 112 112 25533 1 . THR 113 113 25533 1 . GLY 114 114 25533 1 . PRO 115 115 25533 1 . ALA 116 116 25533 1 . CYS 117 117 25533 1 . SER 118 118 25533 1 . GLN 119 119 25533 1 . ASP 120 120 25533 1 . VAL 121 121 25533 1 . ASP 122 122 25533 1 . GLU 123 123 25533 1 . CYS 124 124 25533 1 . SER 125 125 25533 1 . LEU 126 126 25533 1 . GLY 127 127 25533 1 . ALA 128 128 25533 1 . ASN 129 129 25533 1 . PRO 130 130 25533 1 . CYS 131 131 25533 1 . GLU 132 132 25533 1 . HIS 133 133 25533 1 . ALA 134 134 25533 1 . GLY 135 135 25533 1 . LYS 136 136 25533 1 . CYS 137 137 25533 1 . ILE 138 138 25533 1 . ASN 139 139 25533 1 . THR 140 140 25533 1 . LEU 141 141 25533 1 . GLY 142 142 25533 1 . SER 143 143 25533 1 . PHE 144 144 25533 1 . GLU 145 145 25533 1 . CYS 146 146 25533 1 . GLN 147 147 25533 1 . CYS 148 148 25533 1 . LEU 149 149 25533 1 . GLN 150 150 25533 1 . GLY 151 151 25533 1 . TYR 152 152 25533 1 . THR 153 153 25533 1 . GLY 154 154 25533 1 . PRO 155 155 25533 1 . ARG 156 156 25533 1 . CYS 157 157 25533 1 . GLU 158 158 25533 1 . ILE 159 159 25533 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25533 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25533 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25533 2 CA 'Three letter code' 25533 2 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 CA $chem_comp_CA 25533 2 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 25533 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hN-1_8-11 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . TAN1 . 25533 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 25533 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hN-1_8-11 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pQE-30 . . . 25533 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25533 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25533 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25533 CA [Ca++] SMILES CACTVS 3.341 25533 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25533 CA [Ca+2] SMILES ACDLabs 10.04 25533 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25533 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25533 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25533 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25533 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25533 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_8-11_15N _Sample.Sf_category sample _Sample.Sf_framecode 8-11_15N _Sample.Entry_ID 25533 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hN-1 8-11' '[U-99% 15N]' . . 1 $hN-1_8-11 . protein 1 . . mM . . . . 25533 1 2 'Calcium ion' 'natural abundance' . . . . . . 30 . . mM . . . . 25533 1 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25533 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25533 1 stop_ save_ save_8-11_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 8-11_15N-13C _Sample.Entry_ID 25533 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hN-1 8-11' '[U-100% 13C; U-100% 15N]' . . 1 $hN-1_8-11 . protein 0.5 . . mM . . . . 25533 2 2 'Calcium ion' 'natural abundance' . . . . . . 30 . . mM . . . . 25533 2 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25533 2 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25533 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 25533 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 25533 1 pH 6.1 . pH 25533 1 pressure 1 . atm 25533 1 temperature 298 . K 25533 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25533 _Software.ID 1 _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' . . 25533 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25533 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25533 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25533 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25533 2 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 25533 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25533 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model Omega _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25533 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model Omega _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25533 _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 . 500 . . . 25533 1 2 spectrometer_2 Home-built Omega . 600 . . . 25533 1 3 spectrometer_3 Home-built Omega . 950 . . . 25533 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 25533 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $8-11_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $8-11_15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25533 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $8-11_15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25533 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $8-11_15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25533 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 7 '3D HNCA' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 8 '3D HNCO' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25533 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $8-11_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25533 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 25533 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25533 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25533 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25533 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 25533 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D 1H-15N NOESY' 1 $8-11_15N isotropic 25533 1 2 '3D 1H-15N TOCSY' 1 $8-11_15N isotropic 25533 1 4 '2D 1H-15N HSQC' 1 $8-11_15N isotropic 25533 1 5 '2D 1H-15N HSQC' 1 $8-11_15N isotropic 25533 1 6 '3D HBHA(CO)NH' 2 $8-11_15N-13C isotropic 25533 1 7 '3D HNCA' 2 $8-11_15N-13C isotropic 25533 1 8 '3D HNCO' 2 $8-11_15N-13C isotropic 25533 1 9 '3D HN(CA)CO' 2 $8-11_15N-13C isotropic 25533 1 10 '3D CBCA(CO)NH' 2 $8-11_15N-13C isotropic 25533 1 11 '3D HCCH-TOCSY' 2 $8-11_15N-13C isotropic 25533 1 12 '3D 1H-13C NOESY' 2 $8-11_15N-13C isotropic 25533 1 13 '2D 1H-13C HSQC' 2 $8-11_15N-13C isotropic 25533 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPN_Analysis . . 25533 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.344 0.004 . 1 . . . . 2 ALA HA . 25533 1 2 . 1 1 2 2 ALA HB1 H 1 1.357 0.007 . 1 . . . . 2 ALA HB1 . 25533 1 3 . 1 1 2 2 ALA HB2 H 1 1.357 0.007 . 1 . . . . 2 ALA HB2 . 25533 1 4 . 1 1 2 2 ALA HB3 H 1 1.357 0.007 . 1 . . . . 2 ALA HB3 . 25533 1 5 . 1 1 2 2 ALA C C 13 177.228 0.1 . 1 . . . . 2 ALA C . 25533 1 6 . 1 1 2 2 ALA CA C 13 52.665 0.064 . 1 . . . . 2 ALA CA . 25533 1 7 . 1 1 2 2 ALA CB C 13 19.353 0.028 . 1 . . . . 2 ALA CB . 25533 1 8 . 1 1 3 3 ASP H H 1 8.365 0.011 . 1 . . . . 3 ASP H . 25533 1 9 . 1 1 3 3 ASP HA H 1 4.575 0.004 . 1 . . . . 3 ASP HA . 25533 1 10 . 1 1 3 3 ASP HB2 H 1 2.443 0.004 . 2 . . . . 3 ASP HB2 . 25533 1 11 . 1 1 3 3 ASP HB3 H 1 2.444 0.005 . 2 . . . . 3 ASP HB3 . 25533 1 12 . 1 1 3 3 ASP C C 13 175.618 0.1 . 1 . . . . 3 ASP C . 25533 1 13 . 1 1 3 3 ASP CA C 13 54.610 0.023 . 1 . . . . 3 ASP CA . 25533 1 14 . 1 1 3 3 ASP CB C 13 42.594 0.051 . 1 . . . . 3 ASP CB . 25533 1 15 . 1 1 3 3 ASP N N 15 119.041 0.1 . 1 . . . . 3 ASP N . 25533 1 16 . 1 1 4 4 VAL H H 1 7.806 0.006 . 1 . . . . 4 VAL H . 25533 1 17 . 1 1 4 4 VAL HA H 1 4.058 0.007 . 1 . . . . 4 VAL HA . 25533 1 18 . 1 1 4 4 VAL HB H 1 1.892 0.01 . 1 . . . . 4 VAL HB . 25533 1 19 . 1 1 4 4 VAL HG11 H 1 0.806 0.004 . 2 . . . . 4 VAL HG11 . 25533 1 20 . 1 1 4 4 VAL HG12 H 1 0.806 0.004 . 2 . . . . 4 VAL HG12 . 25533 1 21 . 1 1 4 4 VAL HG13 H 1 0.806 0.004 . 2 . . . . 4 VAL HG13 . 25533 1 22 . 1 1 4 4 VAL HG21 H 1 0.760 0.002 . 2 . . . . 4 VAL HG21 . 25533 1 23 . 1 1 4 4 VAL HG22 H 1 0.760 0.002 . 2 . . . . 4 VAL HG22 . 25533 1 24 . 1 1 4 4 VAL HG23 H 1 0.760 0.002 . 2 . . . . 4 VAL HG23 . 25533 1 25 . 1 1 4 4 VAL C C 13 174.108 0.1 . 1 . . . . 4 VAL C . 25533 1 26 . 1 1 4 4 VAL CA C 13 61.361 0.044 . 1 . . . . 4 VAL CA . 25533 1 27 . 1 1 4 4 VAL CB C 13 34.087 0.084 . 1 . . . . 4 VAL CB . 25533 1 28 . 1 1 4 4 VAL CG1 C 13 20.447 0.1 . 2 . . . . 4 VAL CG1 . 25533 1 29 . 1 1 4 4 VAL CG2 C 13 21.109 0.1 . 2 . . . . 4 VAL CG2 . 25533 1 30 . 1 1 4 4 VAL N N 15 120.512 0.078 . 1 . . . . 4 VAL N . 25533 1 31 . 1 1 5 5 ASP H H 1 8.698 0.021 . 1 . . . . 5 ASP H . 25533 1 32 . 1 1 5 5 ASP HA H 1 4.772 0.009 . 1 . . . . 5 ASP HA . 25533 1 33 . 1 1 5 5 ASP HB2 H 1 2.348 0.001 . 2 . . . . 5 ASP HB2 . 25533 1 34 . 1 1 5 5 ASP HB3 H 1 2.898 0.006 . 2 . . . . 5 ASP HB3 . 25533 1 35 . 1 1 5 5 ASP C C 13 176.387 0.1 . 1 . . . . 5 ASP C . 25533 1 36 . 1 1 5 5 ASP CA C 13 51.974 0.042 . 1 . . . . 5 ASP CA . 25533 1 37 . 1 1 5 5 ASP CB C 13 39.582 0.023 . 1 . . . . 5 ASP CB . 25533 1 38 . 1 1 5 5 ASP N N 15 125.180 0.088 . 1 . . . . 5 ASP N . 25533 1 39 . 1 1 6 6 GLU H H 1 9.222 0.073 . 1 . . . . 6 GLU H . 25533 1 40 . 1 1 6 6 GLU HA H 1 3.627 0.009 . 1 . . . . 6 GLU HA . 25533 1 41 . 1 1 6 6 GLU HB2 H 1 1.620 0.01 . 2 . . . . 6 GLU HB2 . 25533 1 42 . 1 1 6 6 GLU HB3 H 1 1.544 0.01 . 2 . . . . 6 GLU HB3 . 25533 1 43 . 1 1 6 6 GLU HG2 H 1 2.463 0.01 . 2 . . . . 6 GLU HG2 . 25533 1 44 . 1 1 6 6 GLU HG3 H 1 2.127 0.01 . 2 . . . . 6 GLU HG3 . 25533 1 45 . 1 1 6 6 GLU C C 13 177.418 0.1 . 1 . . . . 6 GLU C . 25533 1 46 . 1 1 6 6 GLU CA C 13 61.117 0.038 . 1 . . . . 6 GLU CA . 25533 1 47 . 1 1 6 6 GLU CB C 13 29.277 0.002 . 1 . . . . 6 GLU CB . 25533 1 48 . 1 1 6 6 GLU CG C 13 37.806 0.070 . 1 . . . . 6 GLU CG . 25533 1 49 . 1 1 6 6 GLU N N 15 125.587 0.121 . 1 . . . . 6 GLU N . 25533 1 50 . 1 1 7 7 CYS H H 1 7.922 0.01 . 1 . . . . 7 CYS H . 25533 1 51 . 1 1 7 7 CYS HA H 1 4.148 0.002 . 1 . . . . 7 CYS HA . 25533 1 52 . 1 1 7 7 CYS HB2 H 1 3.005 0.01 . 2 . . . . 7 CYS HB2 . 25533 1 53 . 1 1 7 7 CYS HB3 H 1 3.161 0.01 . 2 . . . . 7 CYS HB3 . 25533 1 54 . 1 1 7 7 CYS C C 13 177.083 0.1 . 1 . . . . 7 CYS C . 25533 1 55 . 1 1 7 7 CYS CA C 13 55.228 0.1 . 1 . . . . 7 CYS CA . 25533 1 56 . 1 1 7 7 CYS CB C 13 36.345 0.1 . 1 . . . . 7 CYS CB . 25533 1 57 . 1 1 7 7 CYS N N 15 112.893 0.1 . 1 . . . . 7 CYS N . 25533 1 58 . 1 1 8 8 GLN H H 1 7.281 0.024 . 1 . . . . 8 GLN H . 25533 1 59 . 1 1 8 8 GLN HA H 1 4.052 0.020 . 1 . . . . 8 GLN HA . 25533 1 60 . 1 1 8 8 GLN HB2 H 1 1.876 0.010 . 2 . . . . 8 GLN HB2 . 25533 1 61 . 1 1 8 8 GLN HB3 H 1 2.061 0.01 . 2 . . . . 8 GLN HB3 . 25533 1 62 . 1 1 8 8 GLN HE21 H 1 7.589 0.01 . 1 . . . . 8 GLN HE21 . 25533 1 63 . 1 1 8 8 GLN HE22 H 1 6.747 0.01 . 1 . . . . 8 GLN HE22 . 25533 1 64 . 1 1 8 8 GLN HG2 H 1 2.325 0.01 . 2 . . . . 8 GLN HG2 . 25533 1 65 . 1 1 8 8 GLN HG3 H 1 2.190 0.01 . 2 . . . . 8 GLN HG3 . 25533 1 66 . 1 1 8 8 GLN C C 13 177.145 0.1 . 1 . . . . 8 GLN C . 25533 1 67 . 1 1 8 8 GLN CA C 13 57.116 0.007 . 1 . . . . 8 GLN CA . 25533 1 68 . 1 1 8 8 GLN CB C 13 29.261 0.005 . 1 . . . . 8 GLN CB . 25533 1 69 . 1 1 8 8 GLN CG C 13 33.993 0.1 . 1 . . . . 8 GLN CG . 25533 1 70 . 1 1 8 8 GLN N N 15 116.763 0.062 . 1 . . . . 8 GLN N . 25533 1 71 . 1 1 8 8 GLN NE2 N 15 111.736 0.009 . 1 . . . . 8 GLN NE2 . 25533 1 72 . 1 1 9 9 LEU H H 1 7.396 0.008 . 1 . . . . 9 LEU H . 25533 1 73 . 1 1 9 9 LEU HA H 1 4.102 0.001 . 1 . . . . 9 LEU HA . 25533 1 74 . 1 1 9 9 LEU HB2 H 1 1.556 0.008 . 2 . . . . 9 LEU HB2 . 25533 1 75 . 1 1 9 9 LEU HB3 H 1 1.526 0.01 . 2 . . . . 9 LEU HB3 . 25533 1 76 . 1 1 9 9 LEU HD11 H 1 0.785 0.003 . 2 . . . . 9 LEU HD11 . 25533 1 77 . 1 1 9 9 LEU HD12 H 1 0.785 0.003 . 2 . . . . 9 LEU HD12 . 25533 1 78 . 1 1 9 9 LEU HD13 H 1 0.785 0.003 . 2 . . . . 9 LEU HD13 . 25533 1 79 . 1 1 9 9 LEU HD21 H 1 0.777 0.01 . 2 . . . . 9 LEU HD21 . 25533 1 80 . 1 1 9 9 LEU HD22 H 1 0.777 0.01 . 2 . . . . 9 LEU HD22 . 25533 1 81 . 1 1 9 9 LEU HD23 H 1 0.777 0.01 . 2 . . . . 9 LEU HD23 . 25533 1 82 . 1 1 9 9 LEU HG H 1 1.603 0.01 . 1 . . . . 9 LEU HG . 25533 1 83 . 1 1 9 9 LEU C C 13 177.111 0.1 . 1 . . . . 9 LEU C . 25533 1 84 . 1 1 9 9 LEU CA C 13 56.201 0.007 . 1 . . . . 9 LEU CA . 25533 1 85 . 1 1 9 9 LEU CB C 13 43.309 0.007 . 1 . . . . 9 LEU CB . 25533 1 86 . 1 1 9 9 LEU CD1 C 13 25.084 0.1 . 2 . . . . 9 LEU CD1 . 25533 1 87 . 1 1 9 9 LEU CD2 C 13 23.078 0.1 . 2 . . . . 9 LEU CD2 . 25533 1 88 . 1 1 9 9 LEU CG C 13 26.837 0.1 . 1 . . . . 9 LEU CG . 25533 1 89 . 1 1 9 9 LEU N N 15 117.104 0.069 . 1 . . . . 9 LEU N . 25533 1 90 . 1 1 10 10 MET H H 1 7.657 0.029 . 1 . . . . 10 MET H . 25533 1 91 . 1 1 10 10 MET HA H 1 4.771 0.002 . 1 . . . . 10 MET HA . 25533 1 92 . 1 1 10 10 MET HB2 H 1 1.770 0.001 . 2 . . . . 10 MET HB2 . 25533 1 93 . 1 1 10 10 MET HB3 H 1 1.894 0.01 . 2 . . . . 10 MET HB3 . 25533 1 94 . 1 1 10 10 MET HE1 H 1 1.908 0.01 . 1 . . . . 10 MET HE1 . 25533 1 95 . 1 1 10 10 MET HE2 H 1 1.908 0.01 . 1 . . . . 10 MET HE2 . 25533 1 96 . 1 1 10 10 MET HE3 H 1 1.908 0.01 . 1 . . . . 10 MET HE3 . 25533 1 97 . 1 1 10 10 MET HG2 H 1 2.296 0.011 . 2 . . . . 10 MET HG2 . 25533 1 98 . 1 1 10 10 MET HG3 H 1 2.285 0.01 . 2 . . . . 10 MET HG3 . 25533 1 99 . 1 1 10 10 MET C C 13 173.178 0.1 . 1 . . . . 10 MET C . 25533 1 100 . 1 1 10 10 MET CA C 13 52.746 0.007 . 1 . . . . 10 MET CA . 25533 1 101 . 1 1 10 10 MET CB C 13 33.181 0.027 . 1 . . . . 10 MET CB . 25533 1 102 . 1 1 10 10 MET CE C 13 16.961 0.1 . 1 . . . . 10 MET CE . 25533 1 103 . 1 1 10 10 MET CG C 13 31.576 0.017 . 1 . . . . 10 MET CG . 25533 1 104 . 1 1 10 10 MET N N 15 117.308 0.043 . 1 . . . . 10 MET N . 25533 1 105 . 1 1 11 11 PRO HA H 1 4.311 0.01 . 1 . . . . 11 PRO HA . 25533 1 106 . 1 1 11 11 PRO HB2 H 1 1.796 0.003 . 2 . . . . 11 PRO HB2 . 25533 1 107 . 1 1 11 11 PRO HB3 H 1 2.257 0.008 . 2 . . . . 11 PRO HB3 . 25533 1 108 . 1 1 11 11 PRO HD2 H 1 3.618 0.01 . 1 . . . . 11 PRO HD2 . 25533 1 109 . 1 1 11 11 PRO HD3 H 1 3.618 0.01 . 1 . . . . 11 PRO HD3 . 25533 1 110 . 1 1 11 11 PRO C C 13 177.370 0.1 . 1 . . . . 11 PRO C . 25533 1 111 . 1 1 11 11 PRO CA C 13 64.185 0.027 . 1 . . . . 11 PRO CA . 25533 1 112 . 1 1 11 11 PRO CB C 13 31.889 0.009 . 1 . . . . 11 PRO CB . 25533 1 113 . 1 1 11 11 PRO CD C 13 50.567 0.1 . 1 . . . . 11 PRO CD . 25533 1 114 . 1 1 12 12 ASN H H 1 8.456 0.004 . 1 . . . . 12 ASN H . 25533 1 115 . 1 1 12 12 ASN HA H 1 4.720 0.01 . 1 . . . . 12 ASN HA . 25533 1 116 . 1 1 12 12 ASN HB2 H 1 2.560 0.01 . 2 . . . . 12 ASN HB2 . 25533 1 117 . 1 1 12 12 ASN HB3 H 1 2.771 0.01 . 2 . . . . 12 ASN HB3 . 25533 1 118 . 1 1 12 12 ASN HD21 H 1 7.469 0.001 . 1 . . . . 12 ASN HD21 . 25533 1 119 . 1 1 12 12 ASN HD22 H 1 6.805 0.001 . 1 . . . . 12 ASN HD22 . 25533 1 120 . 1 1 12 12 ASN C C 13 174.412 0.1 . 1 . . . . 12 ASN C . 25533 1 121 . 1 1 12 12 ASN CA C 13 52.346 0.1 . 1 . . . . 12 ASN CA . 25533 1 122 . 1 1 12 12 ASN CB C 13 38.226 0.1 . 1 . . . . 12 ASN CB . 25533 1 123 . 1 1 12 12 ASN N N 15 115.281 0.086 . 1 . . . . 12 ASN N . 25533 1 124 . 1 1 12 12 ASN ND2 N 15 112.056 0.018 . 1 . . . . 12 ASN ND2 . 25533 1 125 . 1 1 13 13 ALA H H 1 7.427 0.002 . 1 . . . . 13 ALA H . 25533 1 126 . 1 1 13 13 ALA HA H 1 3.797 0.002 . 1 . . . . 13 ALA HA . 25533 1 127 . 1 1 13 13 ALA HB1 H 1 1.167 0.004 . 1 . . . . 13 ALA HB1 . 25533 1 128 . 1 1 13 13 ALA HB2 H 1 1.167 0.004 . 1 . . . . 13 ALA HB2 . 25533 1 129 . 1 1 13 13 ALA HB3 H 1 1.167 0.004 . 1 . . . . 13 ALA HB3 . 25533 1 130 . 1 1 13 13 ALA C C 13 178.181 0.1 . 1 . . . . 13 ALA C . 25533 1 131 . 1 1 13 13 ALA CA C 13 55.557 0.1 . 1 . . . . 13 ALA CA . 25533 1 132 . 1 1 13 13 ALA CB C 13 19.011 0.007 . 1 . . . . 13 ALA CB . 25533 1 133 . 1 1 13 13 ALA N N 15 120.932 0.095 . 1 . . . . 13 ALA N . 25533 1 134 . 1 1 14 14 CYS H H 1 8.208 0.008 . 1 . . . . 14 CYS H . 25533 1 135 . 1 1 14 14 CYS HA H 1 4.707 0.01 . 1 . . . . 14 CYS HA . 25533 1 136 . 1 1 14 14 CYS HB2 H 1 2.454 0.003 . 2 . . . . 14 CYS HB2 . 25533 1 137 . 1 1 14 14 CYS HB3 H 1 2.252 0.01 . 2 . . . . 14 CYS HB3 . 25533 1 138 . 1 1 14 14 CYS C C 13 173.677 0.1 . 1 . . . . 14 CYS C . 25533 1 139 . 1 1 14 14 CYS CA C 13 51.944 0.1 . 1 . . . . 14 CYS CA . 25533 1 140 . 1 1 14 14 CYS CB C 13 38.977 0.1 . 1 . . . . 14 CYS CB . 25533 1 141 . 1 1 14 14 CYS N N 15 111.807 0.102 . 1 . . . . 14 CYS N . 25533 1 142 . 1 1 15 15 GLN H H 1 8.172 0.009 . 1 . . . . 15 GLN H . 25533 1 143 . 1 1 15 15 GLN HA H 1 4.080 0.009 . 1 . . . . 15 GLN HA . 25533 1 144 . 1 1 15 15 GLN HB2 H 1 1.854 0.01 . 2 . . . . 15 GLN HB2 . 25533 1 145 . 1 1 15 15 GLN HB3 H 1 1.456 0.01 . 2 . . . . 15 GLN HB3 . 25533 1 146 . 1 1 15 15 GLN HE21 H 1 6.713 0.01 . 1 . . . . 15 GLN HE21 . 25533 1 147 . 1 1 15 15 GLN HE22 H 1 7.394 0.01 . 1 . . . . 15 GLN HE22 . 25533 1 148 . 1 1 15 15 GLN C C 13 176.097 0.1 . 1 . . . . 15 GLN C . 25533 1 149 . 1 1 15 15 GLN CA C 13 55.624 0.007 . 1 . . . . 15 GLN CA . 25533 1 150 . 1 1 15 15 GLN CB C 13 30.089 0.1 . 1 . . . . 15 GLN CB . 25533 1 151 . 1 1 15 15 GLN N N 15 119.972 0.082 . 1 . . . . 15 GLN N . 25533 1 152 . 1 1 15 15 GLN NE2 N 15 112.058 0.006 . 1 . . . . 15 GLN NE2 . 25533 1 153 . 1 1 16 16 ASN H H 1 8.918 0.009 . 1 . . . . 16 ASN H . 25533 1 154 . 1 1 16 16 ASN HA H 1 3.896 0.011 . 1 . . . . 16 ASN HA . 25533 1 155 . 1 1 16 16 ASN C C 13 176.695 0.1 . 1 . . . . 16 ASN C . 25533 1 156 . 1 1 16 16 ASN CA C 13 54.879 0.012 . 1 . . . . 16 ASN CA . 25533 1 157 . 1 1 16 16 ASN CB C 13 35.923 0.1 . 1 . . . . 16 ASN CB . 25533 1 158 . 1 1 16 16 ASN N N 15 113.195 0.070 . 1 . . . . 16 ASN N . 25533 1 159 . 1 1 17 17 GLY H H 1 8.797 0.010 . 1 . . . . 17 GLY H . 25533 1 160 . 1 1 17 17 GLY HA2 H 1 3.926 0.01 . 2 . . . . 17 GLY HA2 . 25533 1 161 . 1 1 17 17 GLY HA3 H 1 3.640 0.01 . 2 . . . . 17 GLY HA3 . 25533 1 162 . 1 1 17 17 GLY C C 13 175.162 0.1 . 1 . . . . 17 GLY C . 25533 1 163 . 1 1 17 17 GLY CA C 13 45.630 0.007 . 1 . . . . 17 GLY CA . 25533 1 164 . 1 1 17 17 GLY N N 15 106.469 0.061 . 1 . . . . 17 GLY N . 25533 1 165 . 1 1 18 18 GLY H H 1 7.284 0.002 . 1 . . . . 18 GLY H . 25533 1 166 . 1 1 18 18 GLY HA2 H 1 3.371 0.01 . 2 . . . . 18 GLY HA2 . 25533 1 167 . 1 1 18 18 GLY HA3 H 1 4.318 0.01 . 2 . . . . 18 GLY HA3 . 25533 1 168 . 1 1 18 18 GLY C C 13 171.698 0.1 . 1 . . . . 18 GLY C . 25533 1 169 . 1 1 18 18 GLY CA C 13 45.779 0.011 . 1 . . . . 18 GLY CA . 25533 1 170 . 1 1 18 18 GLY N N 15 105.663 0.103 . 1 . . . . 18 GLY N . 25533 1 171 . 1 1 19 19 THR H H 1 8.651 0.006 . 1 . . . . 19 THR H . 25533 1 172 . 1 1 19 19 THR HA H 1 4.393 0.001 . 1 . . . . 19 THR HA . 25533 1 173 . 1 1 19 19 THR HB H 1 3.955 0.008 . 1 . . . . 19 THR HB . 25533 1 174 . 1 1 19 19 THR HG21 H 1 1.057 0.001 . 1 . . . . 19 THR HG21 . 25533 1 175 . 1 1 19 19 THR HG22 H 1 1.057 0.001 . 1 . . . . 19 THR HG22 . 25533 1 176 . 1 1 19 19 THR HG23 H 1 1.057 0.001 . 1 . . . . 19 THR HG23 . 25533 1 177 . 1 1 19 19 THR C C 13 172.608 0.1 . 1 . . . . 19 THR C . 25533 1 178 . 1 1 19 19 THR CA C 13 61.921 0.030 . 1 . . . . 19 THR CA . 25533 1 179 . 1 1 19 19 THR CB C 13 70.958 0.030 . 1 . . . . 19 THR CB . 25533 1 180 . 1 1 19 19 THR CG2 C 13 21.738 0.006 . 1 . . . . 19 THR CG2 . 25533 1 181 . 1 1 19 19 THR N N 15 115.729 0.062 . 1 . . . . 19 THR N . 25533 1 182 . 1 1 20 20 CYS H H 1 8.906 0.010 . 1 . . . . 20 CYS H . 25533 1 183 . 1 1 20 20 CYS HA H 1 4.996 0.001 . 1 . . . . 20 CYS HA . 25533 1 184 . 1 1 20 20 CYS HB2 H 1 2.780 0.01 . 2 . . . . 20 CYS HB2 . 25533 1 185 . 1 1 20 20 CYS HB3 H 1 2.987 0.01 . 2 . . . . 20 CYS HB3 . 25533 1 186 . 1 1 20 20 CYS C C 13 173.877 0.1 . 1 . . . . 20 CYS C . 25533 1 187 . 1 1 20 20 CYS CA C 13 57.788 0.003 . 1 . . . . 20 CYS CA . 25533 1 188 . 1 1 20 20 CYS CB C 13 38.393 0.1 . 1 . . . . 20 CYS CB . 25533 1 189 . 1 1 20 20 CYS N N 15 128.229 0.071 . 1 . . . . 20 CYS N . 25533 1 190 . 1 1 21 21 HIS H H 1 9.580 0.011 . 1 . . . . 21 HIS H . 25533 1 191 . 1 1 21 21 HIS HA H 1 4.867 0.007 . 1 . . . . 21 HIS HA . 25533 1 192 . 1 1 21 21 HIS HB2 H 1 3.104 0.011 . 1 . . . . 21 HIS HB2 . 25533 1 193 . 1 1 21 21 HIS HD1 H 1 7.078 0.01 . 1 . . . . 21 HIS HD1 . 25533 1 194 . 1 1 21 21 HIS C C 13 173.454 0.1 . 1 . . . . 21 HIS C . 25533 1 195 . 1 1 21 21 HIS CA C 13 54.813 0.1 . 1 . . . . 21 HIS CA . 25533 1 196 . 1 1 21 21 HIS CB C 13 31.224 0.005 . 1 . . . . 21 HIS CB . 25533 1 197 . 1 1 21 21 HIS N N 15 128.134 0.058 . 1 . . . . 21 HIS N . 25533 1 198 . 1 1 22 22 ASN H H 1 9.160 0.008 . 1 . . . . 22 ASN H . 25533 1 199 . 1 1 22 22 ASN HA H 1 4.878 0.003 . 1 . . . . 22 ASN HA . 25533 1 200 . 1 1 22 22 ASN HB2 H 1 2.698 0.004 . 2 . . . . 22 ASN HB2 . 25533 1 201 . 1 1 22 22 ASN HB3 H 1 2.953 0.01 . 2 . . . . 22 ASN HB3 . 25533 1 202 . 1 1 22 22 ASN C C 13 175.326 0.1 . 1 . . . . 22 ASN C . 25533 1 203 . 1 1 22 22 ASN CA C 13 54.719 0.014 . 1 . . . . 22 ASN CA . 25533 1 204 . 1 1 22 22 ASN CB C 13 39.688 0.009 . 1 . . . . 22 ASN CB . 25533 1 205 . 1 1 22 22 ASN N N 15 124.271 0.127 . 1 . . . . 22 ASN N . 25533 1 206 . 1 1 23 23 THR H H 1 8.236 0.025 . 1 . . . . 23 THR H . 25533 1 207 . 1 1 23 23 THR HG21 H 1 1.008 0.003 . 1 . . . . 23 THR HG21 . 25533 1 208 . 1 1 23 23 THR HG22 H 1 1.008 0.003 . 1 . . . . 23 THR HG22 . 25533 1 209 . 1 1 23 23 THR HG23 H 1 1.008 0.003 . 1 . . . . 23 THR HG23 . 25533 1 210 . 1 1 23 23 THR C C 13 174.591 0.1 . 1 . . . . 23 THR C . 25533 1 211 . 1 1 23 23 THR CA C 13 59.880 0.1 . 1 . . . . 23 THR CA . 25533 1 212 . 1 1 23 23 THR CG2 C 13 19.226 0.1 . 1 . . . . 23 THR CG2 . 25533 1 213 . 1 1 23 23 THR N N 15 116.266 0.120 . 1 . . . . 23 THR N . 25533 1 214 . 1 1 24 24 HIS HA H 1 4.353 0.010 . 1 . . . . 24 HIS HA . 25533 1 215 . 1 1 24 24 HIS HB2 H 1 3.162 0.026 . 1 . . . . 24 HIS HB2 . 25533 1 216 . 1 1 24 24 HIS CA C 13 58.424 0.032 . 1 . . . . 24 HIS CA . 25533 1 217 . 1 1 24 24 HIS CB C 13 28.778 0.053 . 1 . . . . 24 HIS CB . 25533 1 218 . 1 1 25 25 GLY H H 1 8.736 0.011 . 1 . . . . 25 GLY H . 25533 1 219 . 1 1 25 25 GLY HA2 H 1 3.957 0.01 . 1 . . . . 25 GLY HA2 . 25533 1 220 . 1 1 25 25 GLY C C 13 174.327 0.1 . 1 . . . . 25 GLY C . 25533 1 221 . 1 1 25 25 GLY CA C 13 45.390 0.1 . 1 . . . . 25 GLY CA . 25533 1 222 . 1 1 25 25 GLY N N 15 112.138 0.066 . 1 . . . . 25 GLY N . 25533 1 223 . 1 1 26 26 GLY H H 1 7.217 0.012 . 1 . . . . 26 GLY H . 25533 1 224 . 1 1 26 26 GLY HA2 H 1 3.931 0.01 . 2 . . . . 26 GLY HA2 . 25533 1 225 . 1 1 26 26 GLY HA3 H 1 4.200 0.01 . 2 . . . . 26 GLY HA3 . 25533 1 226 . 1 1 26 26 GLY C C 13 171.973 0.1 . 1 . . . . 26 GLY C . 25533 1 227 . 1 1 26 26 GLY CA C 13 46.382 0.1 . 1 . . . . 26 GLY CA . 25533 1 228 . 1 1 26 26 GLY N N 15 108.980 0.124 . 1 . . . . 26 GLY N . 25533 1 229 . 1 1 27 27 TYR H H 1 8.043 0.005 . 1 . . . . 27 TYR H . 25533 1 230 . 1 1 27 27 TYR HA H 1 5.166 0.012 . 1 . . . . 27 TYR HA . 25533 1 231 . 1 1 27 27 TYR HB2 H 1 2.957 0.01 . 1 . . . . 27 TYR HB2 . 25533 1 232 . 1 1 27 27 TYR C C 13 172.780 0.1 . 1 . . . . 27 TYR C . 25533 1 233 . 1 1 27 27 TYR CA C 13 57.354 0.008 . 1 . . . . 27 TYR CA . 25533 1 234 . 1 1 27 27 TYR CB C 13 39.466 0.013 . 1 . . . . 27 TYR CB . 25533 1 235 . 1 1 27 27 TYR N N 15 121.066 0.086 . 1 . . . . 27 TYR N . 25533 1 236 . 1 1 28 28 ASN H H 1 9.392 0.006 . 1 . . . . 28 ASN H . 25533 1 237 . 1 1 28 28 ASN HA H 1 4.883 0.01 . 1 . . . . 28 ASN HA . 25533 1 238 . 1 1 28 28 ASN HB2 H 1 2.687 0.005 . 2 . . . . 28 ASN HB2 . 25533 1 239 . 1 1 28 28 ASN HB3 H 1 2.681 0.01 . 2 . . . . 28 ASN HB3 . 25533 1 240 . 1 1 28 28 ASN HD21 H 1 7.391 0.01 . 1 . . . . 28 ASN HD21 . 25533 1 241 . 1 1 28 28 ASN HD22 H 1 6.765 0.01 . 1 . . . . 28 ASN HD22 . 25533 1 242 . 1 1 28 28 ASN C C 13 173.614 0.1 . 1 . . . . 28 ASN C . 25533 1 243 . 1 1 28 28 ASN CA C 13 52.323 0.1 . 1 . . . . 28 ASN CA . 25533 1 244 . 1 1 28 28 ASN CB C 13 42.455 0.005 . 1 . . . . 28 ASN CB . 25533 1 245 . 1 1 28 28 ASN N N 15 116.477 0.111 . 1 . . . . 28 ASN N . 25533 1 246 . 1 1 28 28 ASN ND2 N 15 112.155 0.009 . 1 . . . . 28 ASN ND2 . 25533 1 247 . 1 1 29 29 CYS H H 1 8.939 0.003 . 1 . . . . 29 CYS H . 25533 1 248 . 1 1 29 29 CYS HA H 1 5.509 0.007 . 1 . . . . 29 CYS HA . 25533 1 249 . 1 1 29 29 CYS HB2 H 1 2.824 0.01 . 1 . . . . 29 CYS HB2 . 25533 1 250 . 1 1 29 29 CYS C C 13 174.864 0.1 . 1 . . . . 29 CYS C . 25533 1 251 . 1 1 29 29 CYS CA C 13 53.822 0.023 . 1 . . . . 29 CYS CA . 25533 1 252 . 1 1 29 29 CYS CB C 13 43.169 0.1 . 1 . . . . 29 CYS CB . 25533 1 253 . 1 1 29 29 CYS N N 15 116.897 0.126 . 1 . . . . 29 CYS N . 25533 1 254 . 1 1 30 30 VAL H H 1 9.113 0.004 . 1 . . . . 30 VAL H . 25533 1 255 . 1 1 30 30 VAL HA H 1 4.235 0.01 . 1 . . . . 30 VAL HA . 25533 1 256 . 1 1 30 30 VAL HB H 1 2.051 0.01 . 1 . . . . 30 VAL HB . 25533 1 257 . 1 1 30 30 VAL HG11 H 1 0.852 0.01 . 2 . . . . 30 VAL HG11 . 25533 1 258 . 1 1 30 30 VAL HG12 H 1 0.852 0.01 . 2 . . . . 30 VAL HG12 . 25533 1 259 . 1 1 30 30 VAL HG13 H 1 0.852 0.01 . 2 . . . . 30 VAL HG13 . 25533 1 260 . 1 1 30 30 VAL HG21 H 1 0.957 0.01 . 2 . . . . 30 VAL HG21 . 25533 1 261 . 1 1 30 30 VAL HG22 H 1 0.957 0.01 . 2 . . . . 30 VAL HG22 . 25533 1 262 . 1 1 30 30 VAL HG23 H 1 0.957 0.01 . 2 . . . . 30 VAL HG23 . 25533 1 263 . 1 1 30 30 VAL C C 13 176.539 0.1 . 1 . . . . 30 VAL C . 25533 1 264 . 1 1 30 30 VAL CA C 13 62.318 0.010 . 1 . . . . 30 VAL CA . 25533 1 265 . 1 1 30 30 VAL CB C 13 31.931 0.1 . 1 . . . . 30 VAL CB . 25533 1 266 . 1 1 30 30 VAL N N 15 124.671 0.067 . 1 . . . . 30 VAL N . 25533 1 267 . 1 1 31 31 CYS H H 1 8.978 0.005 . 1 . . . . 31 CYS H . 25533 1 268 . 1 1 31 31 CYS HB2 H 1 3.379 0.01 . 2 . . . . 31 CYS HB2 . 25533 1 269 . 1 1 31 31 CYS HB3 H 1 2.658 0.01 . 2 . . . . 31 CYS HB3 . 25533 1 270 . 1 1 31 31 CYS C C 13 176.095 0.1 . 1 . . . . 31 CYS C . 25533 1 271 . 1 1 31 31 CYS CA C 13 53.219 0.1 . 1 . . . . 31 CYS CA . 25533 1 272 . 1 1 31 31 CYS CB C 13 37.223 0.049 . 1 . . . . 31 CYS CB . 25533 1 273 . 1 1 31 31 CYS N N 15 125.839 0.013 . 1 . . . . 31 CYS N . 25533 1 274 . 1 1 32 32 VAL H H 1 8.562 0.005 . 1 . . . . 32 VAL H . 25533 1 275 . 1 1 32 32 VAL HA H 1 4.079 0.002 . 1 . . . . 32 VAL HA . 25533 1 276 . 1 1 32 32 VAL HB H 1 2.114 0.006 . 1 . . . . 32 VAL HB . 25533 1 277 . 1 1 32 32 VAL HG11 H 1 1.158 0.004 . 2 . . . . 32 VAL HG11 . 25533 1 278 . 1 1 32 32 VAL HG12 H 1 1.158 0.004 . 2 . . . . 32 VAL HG12 . 25533 1 279 . 1 1 32 32 VAL HG13 H 1 1.158 0.004 . 2 . . . . 32 VAL HG13 . 25533 1 280 . 1 1 32 32 VAL HG21 H 1 1.029 0.004 . 2 . . . . 32 VAL HG21 . 25533 1 281 . 1 1 32 32 VAL HG22 H 1 1.029 0.004 . 2 . . . . 32 VAL HG22 . 25533 1 282 . 1 1 32 32 VAL HG23 H 1 1.029 0.004 . 2 . . . . 32 VAL HG23 . 25533 1 283 . 1 1 32 32 VAL C C 13 175.035 0.1 . 1 . . . . 32 VAL C . 25533 1 284 . 1 1 32 32 VAL CA C 13 62.549 0.097 . 1 . . . . 32 VAL CA . 25533 1 285 . 1 1 32 32 VAL CB C 13 32.908 0.027 . 1 . . . . 32 VAL CB . 25533 1 286 . 1 1 32 32 VAL CG1 C 13 21.414 0.009 . 2 . . . . 32 VAL CG1 . 25533 1 287 . 1 1 32 32 VAL CG2 C 13 22.140 0.067 . 2 . . . . 32 VAL CG2 . 25533 1 288 . 1 1 32 32 VAL N N 15 121.843 0.051 . 1 . . . . 32 VAL N . 25533 1 289 . 1 1 33 33 ASN H H 1 8.301 0.008 . 1 . . . . 33 ASN H . 25533 1 290 . 1 1 33 33 ASN HA H 1 4.443 0.01 . 1 . . . . 33 ASN HA . 25533 1 291 . 1 1 33 33 ASN HB2 H 1 2.691 0.01 . 2 . . . . 33 ASN HB2 . 25533 1 292 . 1 1 33 33 ASN HB3 H 1 2.836 0.01 . 2 . . . . 33 ASN HB3 . 25533 1 293 . 1 1 33 33 ASN HD21 H 1 7.693 0.003 . 1 . . . . 33 ASN HD21 . 25533 1 294 . 1 1 33 33 ASN HD22 H 1 7.021 0.002 . 1 . . . . 33 ASN HD22 . 25533 1 295 . 1 1 33 33 ASN C C 13 174.832 0.1 . 1 . . . . 33 ASN C . 25533 1 296 . 1 1 33 33 ASN CA C 13 55.408 0.1 . 1 . . . . 33 ASN CA . 25533 1 297 . 1 1 33 33 ASN CB C 13 38.614 0.1 . 1 . . . . 33 ASN CB . 25533 1 298 . 1 1 33 33 ASN N N 15 120.055 0.050 . 1 . . . . 33 ASN N . 25533 1 299 . 1 1 33 33 ASN ND2 N 15 112.909 0.079 . 1 . . . . 33 ASN ND2 . 25533 1 300 . 1 1 34 34 GLY H H 1 8.507 0.006 . 1 . . . . 34 GLY H . 25533 1 301 . 1 1 34 34 GLY HA2 H 1 3.608 0.01 . 2 . . . . 34 GLY HA2 . 25533 1 302 . 1 1 34 34 GLY HA3 H 1 4.270 0.01 . 2 . . . . 34 GLY HA3 . 25533 1 303 . 1 1 34 34 GLY C C 13 173.976 0.1 . 1 . . . . 34 GLY C . 25533 1 304 . 1 1 34 34 GLY CA C 13 44.015 0.1 . 1 . . . . 34 GLY CA . 25533 1 305 . 1 1 34 34 GLY N N 15 110.052 0.023 . 1 . . . . 34 GLY N . 25533 1 306 . 1 1 35 35 TRP H H 1 8.162 0.003 . 1 . . . . 35 TRP H . 25533 1 307 . 1 1 35 35 TRP HA H 1 5.531 0.006 . 1 . . . . 35 TRP HA . 25533 1 308 . 1 1 35 35 TRP HB2 H 1 3.326 0.01 . 2 . . . . 35 TRP HB2 . 25533 1 309 . 1 1 35 35 TRP HB3 H 1 3.161 0.01 . 2 . . . . 35 TRP HB3 . 25533 1 310 . 1 1 35 35 TRP HE1 H 1 9.960 0.007 . 1 . . . . 35 TRP HE1 . 25533 1 311 . 1 1 35 35 TRP C C 13 175.301 0.1 . 1 . . . . 35 TRP C . 25533 1 312 . 1 1 35 35 TRP CA C 13 55.514 0.040 . 1 . . . . 35 TRP CA . 25533 1 313 . 1 1 35 35 TRP CB C 13 32.036 0.1 . 1 . . . . 35 TRP CB . 25533 1 314 . 1 1 35 35 TRP N N 15 121.867 0.082 . 1 . . . . 35 TRP N . 25533 1 315 . 1 1 35 35 TRP NE1 N 15 127.070 0.055 . 1 . . . . 35 TRP NE1 . 25533 1 316 . 1 1 36 36 THR H H 1 9.750 0.004 . 1 . . . . 36 THR H . 25533 1 317 . 1 1 36 36 THR HA H 1 4.882 0.003 . 1 . . . . 36 THR HA . 25533 1 318 . 1 1 36 36 THR HB H 1 4.010 0.015 . 1 . . . . 36 THR HB . 25533 1 319 . 1 1 36 36 THR HG21 H 1 1.122 0.003 . 1 . . . . 36 THR HG21 . 25533 1 320 . 1 1 36 36 THR HG22 H 1 1.122 0.003 . 1 . . . . 36 THR HG22 . 25533 1 321 . 1 1 36 36 THR HG23 H 1 1.122 0.003 . 1 . . . . 36 THR HG23 . 25533 1 322 . 1 1 36 36 THR C C 13 173.587 0.1 . 1 . . . . 36 THR C . 25533 1 323 . 1 1 36 36 THR CA C 13 59.835 0.004 . 1 . . . . 36 THR CA . 25533 1 324 . 1 1 36 36 THR CB C 13 70.532 0.054 . 1 . . . . 36 THR CB . 25533 1 325 . 1 1 36 36 THR CG2 C 13 19.347 0.031 . 1 . . . . 36 THR CG2 . 25533 1 326 . 1 1 36 36 THR N N 15 116.291 0.040 . 1 . . . . 36 THR N . 25533 1 327 . 1 1 37 37 GLY H H 1 8.030 0.005 . 1 . . . . 37 GLY H . 25533 1 328 . 1 1 37 37 GLY HA2 H 1 3.929 0.01 . 2 . . . . 37 GLY HA2 . 25533 1 329 . 1 1 37 37 GLY HA3 H 1 4.810 0.01 . 2 . . . . 37 GLY HA3 . 25533 1 330 . 1 1 37 37 GLY C C 13 176.770 0.1 . 1 . . . . 37 GLY C . 25533 1 331 . 1 1 37 37 GLY CA C 13 43.691 0.1 . 1 . . . . 37 GLY CA . 25533 1 332 . 1 1 37 37 GLY N N 15 108.206 0.068 . 1 . . . . 37 GLY N . 25533 1 333 . 1 1 38 38 GLU H H 1 9.070 0.005 . 1 . . . . 38 GLU H . 25533 1 334 . 1 1 38 38 GLU HA H 1 4.043 0.01 . 1 . . . . 38 GLU HA . 25533 1 335 . 1 1 38 38 GLU HB2 H 1 2.031 0.003 . 2 . . . . 38 GLU HB2 . 25533 1 336 . 1 1 38 38 GLU HB3 H 1 2.034 0.01 . 2 . . . . 38 GLU HB3 . 25533 1 337 . 1 1 38 38 GLU HG2 H 1 2.330 0.01 . 1 . . . . 38 GLU HG2 . 25533 1 338 . 1 1 38 38 GLU HG3 H 1 2.330 0.01 . 1 . . . . 38 GLU HG3 . 25533 1 339 . 1 1 38 38 GLU C C 13 176.564 0.1 . 1 . . . . 38 GLU C . 25533 1 340 . 1 1 38 38 GLU CA C 13 59.739 0.1 . 1 . . . . 38 GLU CA . 25533 1 341 . 1 1 38 38 GLU CB C 13 29.415 0.050 . 1 . . . . 38 GLU CB . 25533 1 342 . 1 1 38 38 GLU CG C 13 36.446 0.1 . 1 . . . . 38 GLU CG . 25533 1 343 . 1 1 38 38 GLU N N 15 121.122 0.072 . 1 . . . . 38 GLU N . 25533 1 344 . 1 1 39 39 ASP H H 1 8.079 0.007 . 1 . . . . 39 ASP H . 25533 1 345 . 1 1 39 39 ASP HA H 1 5.194 0.004 . 1 . . . . 39 ASP HA . 25533 1 346 . 1 1 39 39 ASP HB2 H 1 2.626 0.015 . 2 . . . . 39 ASP HB2 . 25533 1 347 . 1 1 39 39 ASP HB3 H 1 2.611 0.01 . 2 . . . . 39 ASP HB3 . 25533 1 348 . 1 1 39 39 ASP C C 13 177.105 0.1 . 1 . . . . 39 ASP C . 25533 1 349 . 1 1 39 39 ASP CA C 13 52.223 0.005 . 1 . . . . 39 ASP CA . 25533 1 350 . 1 1 39 39 ASP CB C 13 41.207 0.015 . 1 . . . . 39 ASP CB . 25533 1 351 . 1 1 39 39 ASP N N 15 113.495 0.062 . 1 . . . . 39 ASP N . 25533 1 352 . 1 1 40 40 CYS H H 1 7.689 0.002 . 1 . . . . 40 CYS H . 25533 1 353 . 1 1 40 40 CYS HA H 1 4.353 0.01 . 1 . . . . 40 CYS HA . 25533 1 354 . 1 1 40 40 CYS HB2 H 1 3.352 0.01 . 1 . . . . 40 CYS HB2 . 25533 1 355 . 1 1 40 40 CYS C C 13 174.218 0.1 . 1 . . . . 40 CYS C . 25533 1 356 . 1 1 40 40 CYS CA C 13 55.153 0.1 . 1 . . . . 40 CYS CA . 25533 1 357 . 1 1 40 40 CYS CB C 13 36.475 0.1 . 1 . . . . 40 CYS CB . 25533 1 358 . 1 1 40 40 CYS N N 15 109.721 0.049 . 1 . . . . 40 CYS N . 25533 1 359 . 1 1 41 41 SER H H 1 7.703 0.004 . 1 . . . . 41 SER H . 25533 1 360 . 1 1 41 41 SER HA H 1 4.509 0.01 . 1 . . . . 41 SER HA . 25533 1 361 . 1 1 41 41 SER HB2 H 1 3.956 0.01 . 1 . . . . 41 SER HB2 . 25533 1 362 . 1 1 41 41 SER HB3 H 1 3.956 0.01 . 1 . . . . 41 SER HB3 . 25533 1 363 . 1 1 41 41 SER C C 13 175.093 0.1 . 1 . . . . 41 SER C . 25533 1 364 . 1 1 41 41 SER CA C 13 59.291 0.1 . 1 . . . . 41 SER CA . 25533 1 365 . 1 1 41 41 SER CB C 13 64.354 0.1 . 1 . . . . 41 SER CB . 25533 1 366 . 1 1 41 41 SER N N 15 108.379 0.106 . 1 . . . . 41 SER N . 25533 1 367 . 1 1 42 42 GLU H H 1 8.515 0.006 . 1 . . . . 42 GLU H . 25533 1 368 . 1 1 42 42 GLU HA H 1 4.617 0.01 . 1 . . . . 42 GLU HA . 25533 1 369 . 1 1 42 42 GLU HB2 H 1 1.838 0.005 . 2 . . . . 42 GLU HB2 . 25533 1 370 . 1 1 42 42 GLU HB3 H 1 1.831 0.01 . 2 . . . . 42 GLU HB3 . 25533 1 371 . 1 1 42 42 GLU HG2 H 1 2.230 0.002 . 2 . . . . 42 GLU HG2 . 25533 1 372 . 1 1 42 42 GLU HG3 H 1 1.970 0.004 . 2 . . . . 42 GLU HG3 . 25533 1 373 . 1 1 42 42 GLU C C 13 174.253 0.1 . 1 . . . . 42 GLU C . 25533 1 374 . 1 1 42 42 GLU CA C 13 55.716 0.1 . 1 . . . . 42 GLU CA . 25533 1 375 . 1 1 42 42 GLU CB C 13 30.483 0.041 . 1 . . . . 42 GLU CB . 25533 1 376 . 1 1 42 42 GLU CG C 13 35.641 0.1 . 1 . . . . 42 GLU CG . 25533 1 377 . 1 1 42 42 GLU N N 15 122.873 0.143 . 1 . . . . 42 GLU N . 25533 1 378 . 1 1 43 43 ASN H H 1 8.959 0.002 . 1 . . . . 43 ASN H . 25533 1 379 . 1 1 43 43 ASN HA H 1 4.037 0.01 . 1 . . . . 43 ASN HA . 25533 1 380 . 1 1 43 43 ASN HB2 H 1 2.841 0.013 . 2 . . . . 43 ASN HB2 . 25533 1 381 . 1 1 43 43 ASN HB3 H 1 2.428 0.011 . 2 . . . . 43 ASN HB3 . 25533 1 382 . 1 1 43 43 ASN C C 13 175.857 0.1 . 1 . . . . 43 ASN C . 25533 1 383 . 1 1 43 43 ASN CA C 13 51.964 0.1 . 1 . . . . 43 ASN CA . 25533 1 384 . 1 1 43 43 ASN CB C 13 37.781 0.027 . 1 . . . . 43 ASN CB . 25533 1 385 . 1 1 43 43 ASN N N 15 126.729 0.025 . 1 . . . . 43 ASN N . 25533 1 386 . 1 1 44 44 ILE H H 1 7.516 0.007 . 1 . . . . 44 ILE H . 25533 1 387 . 1 1 44 44 ILE HA H 1 3.510 0.006 . 1 . . . . 44 ILE HA . 25533 1 388 . 1 1 44 44 ILE HB H 1 1.664 0.015 . 1 . . . . 44 ILE HB . 25533 1 389 . 1 1 44 44 ILE HD11 H 1 0.706 0.005 . 1 . . . . 44 ILE HD11 . 25533 1 390 . 1 1 44 44 ILE HD12 H 1 0.706 0.005 . 1 . . . . 44 ILE HD12 . 25533 1 391 . 1 1 44 44 ILE HD13 H 1 0.706 0.005 . 1 . . . . 44 ILE HD13 . 25533 1 392 . 1 1 44 44 ILE HG12 H 1 0.955 0.01 . 2 . . . . 44 ILE HG12 . 25533 1 393 . 1 1 44 44 ILE HG13 H 1 1.285 0.01 . 2 . . . . 44 ILE HG13 . 25533 1 394 . 1 1 44 44 ILE HG21 H 1 0.641 0.01 . 1 . . . . 44 ILE HG21 . 25533 1 395 . 1 1 44 44 ILE HG22 H 1 0.641 0.01 . 1 . . . . 44 ILE HG22 . 25533 1 396 . 1 1 44 44 ILE HG23 H 1 0.641 0.01 . 1 . . . . 44 ILE HG23 . 25533 1 397 . 1 1 44 44 ILE C C 13 175.689 0.1 . 1 . . . . 44 ILE C . 25533 1 398 . 1 1 44 44 ILE CA C 13 63.004 0.046 . 1 . . . . 44 ILE CA . 25533 1 399 . 1 1 44 44 ILE CB C 13 38.610 0.098 . 1 . . . . 44 ILE CB . 25533 1 400 . 1 1 44 44 ILE CD1 C 13 14.074 0.015 . 1 . . . . 44 ILE CD1 . 25533 1 401 . 1 1 44 44 ILE CG1 C 13 29.481 0.006 . 1 . . . . 44 ILE CG1 . 25533 1 402 . 1 1 44 44 ILE CG2 C 13 16.697 0.1 . 1 . . . . 44 ILE CG2 . 25533 1 403 . 1 1 44 44 ILE N N 15 128.689 0.134 . 1 . . . . 44 ILE N . 25533 1 404 . 1 1 45 45 ASP H H 1 9.070 0.010 . 1 . . . . 45 ASP H . 25533 1 405 . 1 1 45 45 ASP HA H 1 4.393 0.002 . 1 . . . . 45 ASP HA . 25533 1 406 . 1 1 45 45 ASP HB2 H 1 2.584 0.01 . 2 . . . . 45 ASP HB2 . 25533 1 407 . 1 1 45 45 ASP HB3 H 1 2.836 0.01 . 2 . . . . 45 ASP HB3 . 25533 1 408 . 1 1 45 45 ASP C C 13 176.279 0.1 . 1 . . . . 45 ASP C . 25533 1 409 . 1 1 45 45 ASP CA C 13 54.366 0.012 . 1 . . . . 45 ASP CA . 25533 1 410 . 1 1 45 45 ASP CB C 13 39.593 0.1 . 1 . . . . 45 ASP CB . 25533 1 411 . 1 1 45 45 ASP N N 15 128.057 0.042 . 1 . . . . 45 ASP N . 25533 1 412 . 1 1 46 46 ASP H H 1 9.298 0.005 . 1 . . . . 46 ASP H . 25533 1 413 . 1 1 46 46 ASP C C 13 177.107 0.1 . 1 . . . . 46 ASP C . 25533 1 414 . 1 1 46 46 ASP CA C 13 56.966 0.1 . 1 . . . . 46 ASP CA . 25533 1 415 . 1 1 46 46 ASP CB C 13 42.378 0.1 . 1 . . . . 46 ASP CB . 25533 1 416 . 1 1 46 46 ASP N N 15 129.091 0.037 . 1 . . . . 46 ASP N . 25533 1 417 . 1 1 47 47 CYS H H 1 8.388 0.005 . 1 . . . . 47 CYS H . 25533 1 418 . 1 1 47 47 CYS HA H 1 4.237 0.005 . 1 . . . . 47 CYS HA . 25533 1 419 . 1 1 47 47 CYS HB2 H 1 3.254 0.007 . 2 . . . . 47 CYS HB2 . 25533 1 420 . 1 1 47 47 CYS HB3 H 1 2.920 0.008 . 2 . . . . 47 CYS HB3 . 25533 1 421 . 1 1 47 47 CYS C C 13 176.294 0.1 . 1 . . . . 47 CYS C . 25533 1 422 . 1 1 47 47 CYS CA C 13 57.062 0.008 . 1 . . . . 47 CYS CA . 25533 1 423 . 1 1 47 47 CYS CB C 13 40.983 0.050 . 1 . . . . 47 CYS CB . 25533 1 424 . 1 1 47 47 CYS N N 15 115.004 0.107 . 1 . . . . 47 CYS N . 25533 1 425 . 1 1 48 48 ALA H H 1 7.037 0.004 . 1 . . . . 48 ALA H . 25533 1 426 . 1 1 48 48 ALA HA H 1 3.987 0.006 . 1 . . . . 48 ALA HA . 25533 1 427 . 1 1 48 48 ALA HB1 H 1 1.333 0.006 . 1 . . . . 48 ALA HB1 . 25533 1 428 . 1 1 48 48 ALA HB2 H 1 1.333 0.006 . 1 . . . . 48 ALA HB2 . 25533 1 429 . 1 1 48 48 ALA HB3 H 1 1.333 0.006 . 1 . . . . 48 ALA HB3 . 25533 1 430 . 1 1 48 48 ALA C C 13 178.365 0.1 . 1 . . . . 48 ALA C . 25533 1 431 . 1 1 48 48 ALA CA C 13 55.028 0.015 . 1 . . . . 48 ALA CA . 25533 1 432 . 1 1 48 48 ALA CB C 13 18.193 0.041 . 1 . . . . 48 ALA CB . 25533 1 433 . 1 1 48 48 ALA N N 15 123.676 0.068 . 1 . . . . 48 ALA N . 25533 1 434 . 1 1 49 49 SER H H 1 7.414 0.006 . 1 . . . . 49 SER H . 25533 1 435 . 1 1 49 49 SER HA H 1 4.434 0.007 . 1 . . . . 49 SER HA . 25533 1 436 . 1 1 49 49 SER HB2 H 1 3.801 0.013 . 2 . . . . 49 SER HB2 . 25533 1 437 . 1 1 49 49 SER HB3 H 1 3.744 0.01 . 2 . . . . 49 SER HB3 . 25533 1 438 . 1 1 49 49 SER C C 13 173.723 0.1 . 1 . . . . 49 SER C . 25533 1 439 . 1 1 49 49 SER CA C 13 57.120 0.035 . 1 . . . . 49 SER CA . 25533 1 440 . 1 1 49 49 SER CB C 13 63.530 0.006 . 1 . . . . 49 SER CB . 25533 1 441 . 1 1 49 49 SER N N 15 108.695 0.088 . 1 . . . . 49 SER N . 25533 1 442 . 1 1 50 50 ALA H H 1 6.962 0.004 . 1 . . . . 50 ALA H . 25533 1 443 . 1 1 50 50 ALA HA H 1 3.690 0.013 . 1 . . . . 50 ALA HA . 25533 1 444 . 1 1 50 50 ALA HB1 H 1 0.590 0.003 . 1 . . . . 50 ALA HB1 . 25533 1 445 . 1 1 50 50 ALA HB2 H 1 0.590 0.003 . 1 . . . . 50 ALA HB2 . 25533 1 446 . 1 1 50 50 ALA HB3 H 1 0.590 0.003 . 1 . . . . 50 ALA HB3 . 25533 1 447 . 1 1 50 50 ALA C C 13 176.883 0.1 . 1 . . . . 50 ALA C . 25533 1 448 . 1 1 50 50 ALA CA C 13 52.798 0.003 . 1 . . . . 50 ALA CA . 25533 1 449 . 1 1 50 50 ALA CB C 13 19.116 0.004 . 1 . . . . 50 ALA CB . 25533 1 450 . 1 1 50 50 ALA N N 15 123.948 0.049 . 1 . . . . 50 ALA N . 25533 1 451 . 1 1 51 51 ALA H H 1 7.654 0.009 . 1 . . . . 51 ALA H . 25533 1 452 . 1 1 51 51 ALA HA H 1 4.248 0.018 . 1 . . . . 51 ALA HA . 25533 1 453 . 1 1 51 51 ALA HB1 H 1 1.174 0.005 . 1 . . . . 51 ALA HB1 . 25533 1 454 . 1 1 51 51 ALA HB2 H 1 1.174 0.005 . 1 . . . . 51 ALA HB2 . 25533 1 455 . 1 1 51 51 ALA HB3 H 1 1.174 0.005 . 1 . . . . 51 ALA HB3 . 25533 1 456 . 1 1 51 51 ALA C C 13 176.143 0.1 . 1 . . . . 51 ALA C . 25533 1 457 . 1 1 51 51 ALA CA C 13 51.574 0.022 . 1 . . . . 51 ALA CA . 25533 1 458 . 1 1 51 51 ALA CB C 13 18.518 0.031 . 1 . . . . 51 ALA CB . 25533 1 459 . 1 1 51 51 ALA N N 15 121.196 0.075 . 1 . . . . 51 ALA N . 25533 1 460 . 1 1 52 52 CYS H H 1 7.456 0.011 . 1 . . . . 52 CYS H . 25533 1 461 . 1 1 52 52 CYS HA H 1 4.436 0.004 . 1 . . . . 52 CYS HA . 25533 1 462 . 1 1 52 52 CYS HB2 H 1 2.639 0.01 . 1 . . . . 52 CYS HB2 . 25533 1 463 . 1 1 52 52 CYS C C 13 174.972 0.1 . 1 . . . . 52 CYS C . 25533 1 464 . 1 1 52 52 CYS CA C 13 54.329 0.009 . 1 . . . . 52 CYS CA . 25533 1 465 . 1 1 52 52 CYS CB C 13 38.756 0.1 . 1 . . . . 52 CYS CB . 25533 1 466 . 1 1 52 52 CYS N N 15 114.393 0.085 . 1 . . . . 52 CYS N . 25533 1 467 . 1 1 53 53 PHE H H 1 8.715 0.004 . 1 . . . . 53 PHE H . 25533 1 468 . 1 1 53 53 PHE HA H 1 4.280 0.01 . 1 . . . . 53 PHE HA . 25533 1 469 . 1 1 53 53 PHE HB2 H 1 3.125 0.01 . 2 . . . . 53 PHE HB2 . 25533 1 470 . 1 1 53 53 PHE HB3 H 1 2.620 0.01 . 2 . . . . 53 PHE HB3 . 25533 1 471 . 1 1 53 53 PHE C C 13 175.322 0.1 . 1 . . . . 53 PHE C . 25533 1 472 . 1 1 53 53 PHE CA C 13 58.650 0.1 . 1 . . . . 53 PHE CA . 25533 1 473 . 1 1 53 53 PHE CB C 13 40.501 0.1 . 1 . . . . 53 PHE CB . 25533 1 474 . 1 1 53 53 PHE N N 15 123.575 0.050 . 1 . . . . 53 PHE N . 25533 1 475 . 1 1 54 54 HIS H H 1 7.995 0.022 . 1 . . . . 54 HIS H . 25533 1 476 . 1 1 54 54 HIS HA H 1 4.129 0.007 . 1 . . . . 54 HIS HA . 25533 1 477 . 1 1 54 54 HIS HB2 H 1 2.931 0.013 . 1 . . . . 54 HIS HB2 . 25533 1 478 . 1 1 54 54 HIS C C 13 174.990 0.1 . 1 . . . . 54 HIS C . 25533 1 479 . 1 1 54 54 HIS CA C 13 58.165 0.073 . 1 . . . . 54 HIS CA . 25533 1 480 . 1 1 54 54 HIS CB C 13 28.882 0.014 . 1 . . . . 54 HIS CB . 25533 1 481 . 1 1 54 54 HIS N N 15 120.463 0.164 . 1 . . . . 54 HIS N . 25533 1 482 . 1 1 55 55 GLY H H 1 7.835 0.010 . 1 . . . . 55 GLY H . 25533 1 483 . 1 1 55 55 GLY HA2 H 1 3.559 0.01 . 2 . . . . 55 GLY HA2 . 25533 1 484 . 1 1 55 55 GLY HA3 H 1 4.024 0.007 . 2 . . . . 55 GLY HA3 . 25533 1 485 . 1 1 55 55 GLY C C 13 174.134 0.1 . 1 . . . . 55 GLY C . 25533 1 486 . 1 1 55 55 GLY CA C 13 44.860 0.053 . 1 . . . . 55 GLY CA . 25533 1 487 . 1 1 55 55 GLY N N 15 110.263 0.079 . 1 . . . . 55 GLY N . 25533 1 488 . 1 1 56 56 ALA H H 1 7.937 0.005 . 1 . . . . 56 ALA H . 25533 1 489 . 1 1 56 56 ALA HA H 1 4.703 0.01 . 1 . . . . 56 ALA HA . 25533 1 490 . 1 1 56 56 ALA HB1 H 1 1.365 0.005 . 1 . . . . 56 ALA HB1 . 25533 1 491 . 1 1 56 56 ALA HB2 H 1 1.365 0.005 . 1 . . . . 56 ALA HB2 . 25533 1 492 . 1 1 56 56 ALA HB3 H 1 1.365 0.005 . 1 . . . . 56 ALA HB3 . 25533 1 493 . 1 1 56 56 ALA C C 13 176.500 0.1 . 1 . . . . 56 ALA C . 25533 1 494 . 1 1 56 56 ALA CA C 13 51.287 0.1 . 1 . . . . 56 ALA CA . 25533 1 495 . 1 1 56 56 ALA CB C 13 21.597 0.033 . 1 . . . . 56 ALA CB . 25533 1 496 . 1 1 56 56 ALA N N 15 121.564 0.055 . 1 . . . . 56 ALA N . 25533 1 497 . 1 1 57 57 THR H H 1 8.196 0.007 . 1 . . . . 57 THR H . 25533 1 498 . 1 1 57 57 THR HA H 1 4.779 0.01 . 1 . . . . 57 THR HA . 25533 1 499 . 1 1 57 57 THR HB H 1 3.943 0.01 . 1 . . . . 57 THR HB . 25533 1 500 . 1 1 57 57 THR HG21 H 1 0.865 0.025 . 1 . . . . 57 THR HG21 . 25533 1 501 . 1 1 57 57 THR HG22 H 1 0.865 0.025 . 1 . . . . 57 THR HG22 . 25533 1 502 . 1 1 57 57 THR HG23 H 1 0.865 0.025 . 1 . . . . 57 THR HG23 . 25533 1 503 . 1 1 57 57 THR C C 13 172.762 0.1 . 1 . . . . 57 THR C . 25533 1 504 . 1 1 57 57 THR CA C 13 62.048 0.1 . 1 . . . . 57 THR CA . 25533 1 505 . 1 1 57 57 THR CB C 13 70.478 0.1 . 1 . . . . 57 THR CB . 25533 1 506 . 1 1 57 57 THR CG2 C 13 20.919 0.001 . 1 . . . . 57 THR CG2 . 25533 1 507 . 1 1 57 57 THR N N 15 115.781 0.080 . 1 . . . . 57 THR N . 25533 1 508 . 1 1 58 58 CYS H H 1 9.029 0.002 . 1 . . . . 58 CYS H . 25533 1 509 . 1 1 58 58 CYS HB2 H 1 2.840 0.01 . 2 . . . . 58 CYS HB2 . 25533 1 510 . 1 1 58 58 CYS HB3 H 1 2.952 0.013 . 2 . . . . 58 CYS HB3 . 25533 1 511 . 1 1 58 58 CYS C C 13 173.369 0.1 . 1 . . . . 58 CYS C . 25533 1 512 . 1 1 58 58 CYS CA C 13 57.527 0.1 . 1 . . . . 58 CYS CA . 25533 1 513 . 1 1 58 58 CYS CB C 13 41.124 0.060 . 1 . . . . 58 CYS CB . 25533 1 514 . 1 1 58 58 CYS N N 15 127.496 0.115 . 1 . . . . 58 CYS N . 25533 1 515 . 1 1 59 59 HIS H H 1 9.585 0.007 . 1 . . . . 59 HIS H . 25533 1 516 . 1 1 59 59 HIS HA H 1 5.523 0.01 . 1 . . . . 59 HIS HA . 25533 1 517 . 1 1 59 59 HIS C C 13 173.732 0.1 . 1 . . . . 59 HIS C . 25533 1 518 . 1 1 59 59 HIS CA C 13 54.533 0.1 . 1 . . . . 59 HIS CA . 25533 1 519 . 1 1 59 59 HIS N N 15 128.694 0.059 . 1 . . . . 59 HIS N . 25533 1 520 . 1 1 60 60 ASP H H 1 9.194 0.009 . 1 . . . . 60 ASP H . 25533 1 521 . 1 1 60 60 ASP C C 13 175.562 0.1 . 1 . . . . 60 ASP C . 25533 1 522 . 1 1 60 60 ASP CA C 13 56.887 0.1 . 1 . . . . 60 ASP CA . 25533 1 523 . 1 1 60 60 ASP CB C 13 43.187 0.1 . 1 . . . . 60 ASP CB . 25533 1 524 . 1 1 60 60 ASP N N 15 124.562 0.034 . 1 . . . . 60 ASP N . 25533 1 525 . 1 1 61 61 ARG H H 1 8.261 0.007 . 1 . . . . 61 ARG H . 25533 1 526 . 1 1 61 61 ARG HA H 1 4.893 0.01 . 1 . . . . 61 ARG HA . 25533 1 527 . 1 1 61 61 ARG HB2 H 1 1.635 0.01 . 1 . . . . 61 ARG HB2 . 25533 1 528 . 1 1 61 61 ARG HG2 H 1 1.534 0.01 . 1 . . . . 61 ARG HG2 . 25533 1 529 . 1 1 61 61 ARG C C 13 176.097 0.1 . 1 . . . . 61 ARG C . 25533 1 530 . 1 1 61 61 ARG CA C 13 54.417 0.1 . 1 . . . . 61 ARG CA . 25533 1 531 . 1 1 61 61 ARG CB C 13 30.583 0.1 . 1 . . . . 61 ARG CB . 25533 1 532 . 1 1 61 61 ARG N N 15 124.430 0.106 . 1 . . . . 61 ARG N . 25533 1 533 . 1 1 62 62 VAL H H 1 8.784 0.005 . 1 . . . . 62 VAL H . 25533 1 534 . 1 1 62 62 VAL HG11 H 1 0.863 0.003 . 1 . . . . 62 VAL HG11 . 25533 1 535 . 1 1 62 62 VAL HG12 H 1 0.863 0.003 . 1 . . . . 62 VAL HG12 . 25533 1 536 . 1 1 62 62 VAL HG13 H 1 0.863 0.003 . 1 . . . . 62 VAL HG13 . 25533 1 537 . 1 1 62 62 VAL CA C 13 65.072 0.1 . 1 . . . . 62 VAL CA . 25533 1 538 . 1 1 62 62 VAL CB C 13 29.920 0.1 . 1 . . . . 62 VAL CB . 25533 1 539 . 1 1 62 62 VAL CG1 C 13 21.556 0.094 . 1 . . . . 62 VAL CG1 . 25533 1 540 . 1 1 62 62 VAL N N 15 125.723 0.099 . 1 . . . . 62 VAL N . 25533 1 541 . 1 1 63 63 ALA H H 1 9.498 0.006 . 1 . . . . 63 ALA H . 25533 1 542 . 1 1 63 63 ALA HA H 1 4.405 0.007 . 1 . . . . 63 ALA HA . 25533 1 543 . 1 1 63 63 ALA HB1 H 1 1.237 0.006 . 1 . . . . 63 ALA HB1 . 25533 1 544 . 1 1 63 63 ALA HB2 H 1 1.237 0.006 . 1 . . . . 63 ALA HB2 . 25533 1 545 . 1 1 63 63 ALA HB3 H 1 1.237 0.006 . 1 . . . . 63 ALA HB3 . 25533 1 546 . 1 1 63 63 ALA CA C 13 52.521 0.029 . 1 . . . . 63 ALA CA . 25533 1 547 . 1 1 63 63 ALA CB C 13 16.900 0.058 . 1 . . . . 63 ALA CB . 25533 1 548 . 1 1 63 63 ALA N N 15 132.895 0.045 . 1 . . . . 63 ALA N . 25533 1 549 . 1 1 64 64 SER H H 1 7.239 0.006 . 1 . . . . 64 SER H . 25533 1 550 . 1 1 64 64 SER HA H 1 4.363 0.011 . 1 . . . . 64 SER HA . 25533 1 551 . 1 1 64 64 SER HB2 H 1 3.783 0.01 . 1 . . . . 64 SER HB2 . 25533 1 552 . 1 1 64 64 SER C C 13 170.766 0.1 . 1 . . . . 64 SER C . 25533 1 553 . 1 1 64 64 SER CA C 13 57.942 0.1 . 1 . . . . 64 SER CA . 25533 1 554 . 1 1 64 64 SER CB C 13 63.541 0.1 . 1 . . . . 64 SER CB . 25533 1 555 . 1 1 64 64 SER N N 15 105.873 0.092 . 1 . . . . 64 SER N . 25533 1 556 . 1 1 65 65 PHE H H 1 7.637 0.006 . 1 . . . . 65 PHE H . 25533 1 557 . 1 1 65 65 PHE HA H 1 5.213 0.010 . 1 . . . . 65 PHE HA . 25533 1 558 . 1 1 65 65 PHE C C 13 173.094 0.1 . 1 . . . . 65 PHE C . 25533 1 559 . 1 1 65 65 PHE CA C 13 55.889 0.006 . 1 . . . . 65 PHE CA . 25533 1 560 . 1 1 65 65 PHE CB C 13 42.429 0.1 . 1 . . . . 65 PHE CB . 25533 1 561 . 1 1 65 65 PHE N N 15 112.195 0.127 . 1 . . . . 65 PHE N . 25533 1 562 . 1 1 66 66 TYR H H 1 9.045 0.004 . 1 . . . . 66 TYR H . 25533 1 563 . 1 1 66 66 TYR HA H 1 4.914 0.004 . 1 . . . . 66 TYR HA . 25533 1 564 . 1 1 66 66 TYR HB2 H 1 2.735 0.01 . 2 . . . . 66 TYR HB2 . 25533 1 565 . 1 1 66 66 TYR HB3 H 1 3.052 0.01 . 2 . . . . 66 TYR HB3 . 25533 1 566 . 1 1 66 66 TYR C C 13 173.791 0.1 . 1 . . . . 66 TYR C . 25533 1 567 . 1 1 66 66 TYR CA C 13 56.302 0.042 . 1 . . . . 66 TYR CA . 25533 1 568 . 1 1 66 66 TYR CB C 13 41.750 0.1 . 1 . . . . 66 TYR CB . 25533 1 569 . 1 1 66 66 TYR N N 15 118.937 0.049 . 1 . . . . 66 TYR N . 25533 1 570 . 1 1 67 67 CYS H H 1 9.042 0.007 . 1 . . . . 67 CYS H . 25533 1 571 . 1 1 67 67 CYS HA H 1 4.912 0.01 . 1 . . . . 67 CYS HA . 25533 1 572 . 1 1 67 67 CYS HB2 H 1 3.069 0.022 . 2 . . . . 67 CYS HB2 . 25533 1 573 . 1 1 67 67 CYS HB3 H 1 2.608 0.01 . 2 . . . . 67 CYS HB3 . 25533 1 574 . 1 1 67 67 CYS C C 13 171.444 0.1 . 1 . . . . 67 CYS C . 25533 1 575 . 1 1 67 67 CYS CA C 13 52.832 0.1 . 1 . . . . 67 CYS CA . 25533 1 576 . 1 1 67 67 CYS CB C 13 40.630 0.039 . 1 . . . . 67 CYS CB . 25533 1 577 . 1 1 67 67 CYS N N 15 124.231 0.095 . 1 . . . . 67 CYS N . 25533 1 578 . 1 1 68 68 GLU H H 1 9.022 0.010 . 1 . . . . 68 GLU H . 25533 1 579 . 1 1 68 68 GLU HA H 1 4.368 0.01 . 1 . . . . 68 GLU HA . 25533 1 580 . 1 1 68 68 GLU HB2 H 1 1.888 0.01 . 1 . . . . 68 GLU HB2 . 25533 1 581 . 1 1 68 68 GLU HB3 H 1 1.888 0.01 . 1 . . . . 68 GLU HB3 . 25533 1 582 . 1 1 68 68 GLU HG2 H 1 2.377 0.01 . 1 . . . . 68 GLU HG2 . 25533 1 583 . 1 1 68 68 GLU HG3 H 1 2.377 0.01 . 1 . . . . 68 GLU HG3 . 25533 1 584 . 1 1 68 68 GLU CA C 13 54.855 0.1 . 1 . . . . 68 GLU CA . 25533 1 585 . 1 1 68 68 GLU CB C 13 30.754 0.1 . 1 . . . . 68 GLU CB . 25533 1 586 . 1 1 68 68 GLU N N 15 125.275 0.042 . 1 . . . . 68 GLU N . 25533 1 587 . 1 1 69 69 CYS H H 1 8.899 0.004 . 1 . . . . 69 CYS H . 25533 1 588 . 1 1 69 69 CYS HA H 1 4.970 0.01 . 1 . . . . 69 CYS HA . 25533 1 589 . 1 1 69 69 CYS HB2 H 1 2.672 0.01 . 2 . . . . 69 CYS HB2 . 25533 1 590 . 1 1 69 69 CYS HB3 H 1 2.991 0.01 . 2 . . . . 69 CYS HB3 . 25533 1 591 . 1 1 69 69 CYS CA C 13 51.789 0.1 . 1 . . . . 69 CYS CA . 25533 1 592 . 1 1 69 69 CYS N N 15 125.317 0.023 . 1 . . . . 69 CYS N . 25533 1 593 . 1 1 70 70 PRO HA H 1 4.685 0.01 . 1 . . . . 70 PRO HA . 25533 1 594 . 1 1 70 70 PRO HB2 H 1 2.342 0.01 . 2 . . . . 70 PRO HB2 . 25533 1 595 . 1 1 70 70 PRO HB3 H 1 1.979 0.01 . 2 . . . . 70 PRO HB3 . 25533 1 596 . 1 1 70 70 PRO C C 13 175.323 0.1 . 1 . . . . 70 PRO C . 25533 1 597 . 1 1 70 70 PRO CA C 13 62.280 0.1 . 1 . . . . 70 PRO CA . 25533 1 598 . 1 1 70 70 PRO CB C 13 32.234 0.1 . 1 . . . . 70 PRO CB . 25533 1 599 . 1 1 71 71 HIS H H 1 8.686 0.007 . 1 . . . . 71 HIS H . 25533 1 600 . 1 1 71 71 HIS HA H 1 4.276 0.003 . 1 . . . . 71 HIS HA . 25533 1 601 . 1 1 71 71 HIS HB2 H 1 3.074 0.01 . 2 . . . . 71 HIS HB2 . 25533 1 602 . 1 1 71 71 HIS HB3 H 1 3.228 0.01 . 2 . . . . 71 HIS HB3 . 25533 1 603 . 1 1 71 71 HIS C C 13 176.356 0.1 . 1 . . . . 71 HIS C . 25533 1 604 . 1 1 71 71 HIS CA C 13 58.487 0.022 . 1 . . . . 71 HIS CA . 25533 1 605 . 1 1 71 71 HIS CB C 13 29.163 0.1 . 1 . . . . 71 HIS CB . 25533 1 606 . 1 1 71 71 HIS N N 15 118.537 0.041 . 1 . . . . 71 HIS N . 25533 1 607 . 1 1 72 72 GLY H H 1 9.004 0.006 . 1 . . . . 72 GLY H . 25533 1 608 . 1 1 72 72 GLY HA2 H 1 4.298 0.01 . 2 . . . . 72 GLY HA2 . 25533 1 609 . 1 1 72 72 GLY HA3 H 1 3.301 0.01 . 2 . . . . 72 GLY HA3 . 25533 1 610 . 1 1 72 72 GLY C C 13 174.148 0.1 . 1 . . . . 72 GLY C . 25533 1 611 . 1 1 72 72 GLY CA C 13 45.275 0.1 . 1 . . . . 72 GLY CA . 25533 1 612 . 1 1 72 72 GLY N N 15 113.151 0.020 . 1 . . . . 72 GLY N . 25533 1 613 . 1 1 73 73 ARG H H 1 8.046 0.009 . 1 . . . . 73 ARG H . 25533 1 614 . 1 1 73 73 ARG HA H 1 5.261 0.009 . 1 . . . . 73 ARG HA . 25533 1 615 . 1 1 73 73 ARG HG2 H 1 1.700 0.01 . 1 . . . . 73 ARG HG2 . 25533 1 616 . 1 1 73 73 ARG C C 13 174.231 0.1 . 1 . . . . 73 ARG C . 25533 1 617 . 1 1 73 73 ARG CA C 13 53.105 0.010 . 1 . . . . 73 ARG CA . 25533 1 618 . 1 1 73 73 ARG CB C 13 32.638 0.1 . 1 . . . . 73 ARG CB . 25533 1 619 . 1 1 73 73 ARG N N 15 120.238 0.134 . 1 . . . . 73 ARG N . 25533 1 620 . 1 1 74 74 THR H H 1 8.796 0.005 . 1 . . . . 74 THR H . 25533 1 621 . 1 1 74 74 THR HB H 1 3.891 0.004 . 1 . . . . 74 THR HB . 25533 1 622 . 1 1 74 74 THR HG21 H 1 0.844 0.003 . 1 . . . . 74 THR HG21 . 25533 1 623 . 1 1 74 74 THR HG22 H 1 0.844 0.003 . 1 . . . . 74 THR HG22 . 25533 1 624 . 1 1 74 74 THR HG23 H 1 0.844 0.003 . 1 . . . . 74 THR HG23 . 25533 1 625 . 1 1 74 74 THR C C 13 172.851 0.1 . 1 . . . . 74 THR C . 25533 1 626 . 1 1 74 74 THR CA C 13 60.301 0.002 . 1 . . . . 74 THR CA . 25533 1 627 . 1 1 74 74 THR CB C 13 69.680 0.1 . 1 . . . . 74 THR CB . 25533 1 628 . 1 1 74 74 THR CG2 C 13 18.849 0.051 . 1 . . . . 74 THR CG2 . 25533 1 629 . 1 1 74 74 THR N N 15 114.456 0.101 . 1 . . . . 74 THR N . 25533 1 630 . 1 1 75 75 GLY H H 1 8.032 0.009 . 1 . . . . 75 GLY H . 25533 1 631 . 1 1 75 75 GLY C C 13 176.648 0.1 . 1 . . . . 75 GLY C . 25533 1 632 . 1 1 75 75 GLY CA C 13 43.505 0.1 . 1 . . . . 75 GLY CA . 25533 1 633 . 1 1 75 75 GLY N N 15 108.167 0.069 . 1 . . . . 75 GLY N . 25533 1 634 . 1 1 76 76 LEU H H 1 9.075 0.013 . 1 . . . . 76 LEU H . 25533 1 635 . 1 1 76 76 LEU HA H 1 4.141 0.005 . 1 . . . . 76 LEU HA . 25533 1 636 . 1 1 76 76 LEU HB2 H 1 1.756 0.01 . 2 . . . . 76 LEU HB2 . 25533 1 637 . 1 1 76 76 LEU HB3 H 1 1.618 0.01 . 2 . . . . 76 LEU HB3 . 25533 1 638 . 1 1 76 76 LEU HD11 H 1 0.924 0.007 . 2 . . . . 76 LEU HD11 . 25533 1 639 . 1 1 76 76 LEU HD12 H 1 0.924 0.007 . 2 . . . . 76 LEU HD12 . 25533 1 640 . 1 1 76 76 LEU HD13 H 1 0.924 0.007 . 2 . . . . 76 LEU HD13 . 25533 1 641 . 1 1 76 76 LEU HD21 H 1 0.916 0.01 . 2 . . . . 76 LEU HD21 . 25533 1 642 . 1 1 76 76 LEU HD22 H 1 0.916 0.01 . 2 . . . . 76 LEU HD22 . 25533 1 643 . 1 1 76 76 LEU HD23 H 1 0.916 0.01 . 2 . . . . 76 LEU HD23 . 25533 1 644 . 1 1 76 76 LEU HG H 1 1.674 0.01 . 1 . . . . 76 LEU HG . 25533 1 645 . 1 1 76 76 LEU C C 13 177.582 0.1 . 1 . . . . 76 LEU C . 25533 1 646 . 1 1 76 76 LEU CA C 13 58.919 0.089 . 1 . . . . 76 LEU CA . 25533 1 647 . 1 1 76 76 LEU CB C 13 43.009 0.1 . 1 . . . . 76 LEU CB . 25533 1 648 . 1 1 76 76 LEU CD1 C 13 24.217 0.1 . 2 . . . . 76 LEU CD1 . 25533 1 649 . 1 1 76 76 LEU CD2 C 13 24.706 0.1 . 2 . . . . 76 LEU CD2 . 25533 1 650 . 1 1 76 76 LEU CG C 13 27.071 0.1 . 1 . . . . 76 LEU CG . 25533 1 651 . 1 1 76 76 LEU N N 15 122.664 0.036 . 1 . . . . 76 LEU N . 25533 1 652 . 1 1 77 77 LEU HA H 1 3.799 0.009 . 1 . . . . 77 LEU HA . 25533 1 653 . 1 1 77 77 LEU HB2 H 1 1.508 0.01 . 1 . . . . 77 LEU HB2 . 25533 1 654 . 1 1 77 77 LEU CA C 13 53.349 0.1 . 1 . . . . 77 LEU CA . 25533 1 655 . 1 1 77 77 LEU CB C 13 41.285 0.010 . 1 . . . . 77 LEU CB . 25533 1 656 . 1 1 78 78 CYS H H 1 8.195 0.007 . 1 . . . . 78 CYS H . 25533 1 657 . 1 1 78 78 CYS HA H 1 4.138 0.01 . 1 . . . . 78 CYS HA . 25533 1 658 . 1 1 78 78 CYS HB2 H 1 3.189 0.01 . 1 . . . . 78 CYS HB2 . 25533 1 659 . 1 1 78 78 CYS CA C 13 55.563 0.019 . 1 . . . . 78 CYS CA . 25533 1 660 . 1 1 78 78 CYS CB C 13 36.062 0.1 . 1 . . . . 78 CYS CB . 25533 1 661 . 1 1 78 78 CYS N N 15 112.936 0.124 . 1 . . . . 78 CYS N . 25533 1 662 . 1 1 79 79 HIS H H 1 8.943 0.007 . 1 . . . . 79 HIS H . 25533 1 663 . 1 1 79 79 HIS C C 13 174.383 0.1 . 1 . . . . 79 HIS C . 25533 1 664 . 1 1 79 79 HIS CA C 13 56.820 0.005 . 1 . . . . 79 HIS CA . 25533 1 665 . 1 1 79 79 HIS CB C 13 31.217 0.1 . 1 . . . . 79 HIS CB . 25533 1 666 . 1 1 79 79 HIS N N 15 115.540 0.066 . 1 . . . . 79 HIS N . 25533 1 667 . 1 1 80 80 LEU H H 1 7.876 0.008 . 1 . . . . 80 LEU H . 25533 1 668 . 1 1 80 80 LEU HA H 1 4.395 0.002 . 1 . . . . 80 LEU HA . 25533 1 669 . 1 1 80 80 LEU HD11 H 1 0.590 0.005 . 2 . . . . 80 LEU HD11 . 25533 1 670 . 1 1 80 80 LEU HD12 H 1 0.590 0.005 . 2 . . . . 80 LEU HD12 . 25533 1 671 . 1 1 80 80 LEU HD13 H 1 0.590 0.005 . 2 . . . . 80 LEU HD13 . 25533 1 672 . 1 1 80 80 LEU HD21 H 1 0.566 0.004 . 2 . . . . 80 LEU HD21 . 25533 1 673 . 1 1 80 80 LEU HD22 H 1 0.566 0.004 . 2 . . . . 80 LEU HD22 . 25533 1 674 . 1 1 80 80 LEU HD23 H 1 0.566 0.004 . 2 . . . . 80 LEU HD23 . 25533 1 675 . 1 1 80 80 LEU C C 13 176.791 0.1 . 1 . . . . 80 LEU C . 25533 1 676 . 1 1 80 80 LEU CA C 13 52.851 0.1 . 1 . . . . 80 LEU CA . 25533 1 677 . 1 1 80 80 LEU CB C 13 43.595 0.1 . 1 . . . . 80 LEU CB . 25533 1 678 . 1 1 80 80 LEU CD1 C 13 25.892 0.050 . 2 . . . . 80 LEU CD1 . 25533 1 679 . 1 1 80 80 LEU CD2 C 13 23.078 0.012 . 2 . . . . 80 LEU CD2 . 25533 1 680 . 1 1 80 80 LEU N N 15 121.214 0.059 . 1 . . . . 80 LEU N . 25533 1 681 . 1 1 81 81 ASN H H 1 8.470 0.007 . 1 . . . . 81 ASN H . 25533 1 682 . 1 1 81 81 ASN HA H 1 4.700 0.01 . 1 . . . . 81 ASN HA . 25533 1 683 . 1 1 81 81 ASN HB2 H 1 2.548 0.009 . 2 . . . . 81 ASN HB2 . 25533 1 684 . 1 1 81 81 ASN HB3 H 1 2.876 0.01 . 2 . . . . 81 ASN HB3 . 25533 1 685 . 1 1 81 81 ASN HD21 H 1 7.545 0.01 . 1 . . . . 81 ASN HD21 . 25533 1 686 . 1 1 81 81 ASN HD22 H 1 6.825 0.01 . 1 . . . . 81 ASN HD22 . 25533 1 687 . 1 1 81 81 ASN C C 13 174.973 0.1 . 1 . . . . 81 ASN C . 25533 1 688 . 1 1 81 81 ASN CA C 13 53.272 0.1 . 1 . . . . 81 ASN CA . 25533 1 689 . 1 1 81 81 ASN CB C 13 38.581 0.1 . 1 . . . . 81 ASN CB . 25533 1 690 . 1 1 81 81 ASN N N 15 119.039 0.063 . 1 . . . . 81 ASN N . 25533 1 691 . 1 1 81 81 ASN ND2 N 15 112.411 0.004 . 1 . . . . 81 ASN ND2 . 25533 1 692 . 1 1 82 82 ASP H H 1 7.819 0.007 . 1 . . . . 82 ASP H . 25533 1 693 . 1 1 82 82 ASP HA H 1 4.745 0.01 . 1 . . . . 82 ASP HA . 25533 1 694 . 1 1 82 82 ASP HB2 H 1 2.511 0.005 . 1 . . . . 82 ASP HB2 . 25533 1 695 . 1 1 82 82 ASP C C 13 176.387 0.1 . 1 . . . . 82 ASP C . 25533 1 696 . 1 1 82 82 ASP CA C 13 53.730 0.1 . 1 . . . . 82 ASP CA . 25533 1 697 . 1 1 82 82 ASP CB C 13 40.790 0.002 . 1 . . . . 82 ASP CB . 25533 1 698 . 1 1 82 82 ASP N N 15 120.788 0.032 . 1 . . . . 82 ASP N . 25533 1 699 . 1 1 83 83 ALA H H 1 8.494 0.005 . 1 . . . . 83 ALA H . 25533 1 700 . 1 1 83 83 ALA HA H 1 4.154 0.011 . 1 . . . . 83 ALA HA . 25533 1 701 . 1 1 83 83 ALA HB1 H 1 1.394 0.006 . 1 . . . . 83 ALA HB1 . 25533 1 702 . 1 1 83 83 ALA HB2 H 1 1.394 0.006 . 1 . . . . 83 ALA HB2 . 25533 1 703 . 1 1 83 83 ALA HB3 H 1 1.394 0.006 . 1 . . . . 83 ALA HB3 . 25533 1 704 . 1 1 83 83 ALA C C 13 178.550 0.1 . 1 . . . . 83 ALA C . 25533 1 705 . 1 1 83 83 ALA CA C 13 53.549 0.072 . 1 . . . . 83 ALA CA . 25533 1 706 . 1 1 83 83 ALA CB C 13 19.572 0.024 . 1 . . . . 83 ALA CB . 25533 1 707 . 1 1 83 83 ALA N N 15 130.818 0.082 . 1 . . . . 83 ALA N . 25533 1 708 . 1 1 84 84 CYS H H 1 8.405 0.004 . 1 . . . . 84 CYS H . 25533 1 709 . 1 1 84 84 CYS HA H 1 4.317 0.005 . 1 . . . . 84 CYS HA . 25533 1 710 . 1 1 84 84 CYS HB2 H 1 2.997 0.01 . 2 . . . . 84 CYS HB2 . 25533 1 711 . 1 1 84 84 CYS HB3 H 1 3.084 0.01 . 2 . . . . 84 CYS HB3 . 25533 1 712 . 1 1 84 84 CYS C C 13 176.513 0.1 . 1 . . . . 84 CYS C . 25533 1 713 . 1 1 84 84 CYS CA C 13 55.839 0.1 . 1 . . . . 84 CYS CA . 25533 1 714 . 1 1 84 84 CYS CB C 13 41.135 0.1 . 1 . . . . 84 CYS CB . 25533 1 715 . 1 1 84 84 CYS N N 15 113.776 0.144 . 1 . . . . 84 CYS N . 25533 1 716 . 1 1 85 85 ILE H H 1 6.938 0.013 . 1 . . . . 85 ILE H . 25533 1 717 . 1 1 85 85 ILE HA H 1 3.890 0.006 . 1 . . . . 85 ILE HA . 25533 1 718 . 1 1 85 85 ILE HB H 1 1.821 0.006 . 1 . . . . 85 ILE HB . 25533 1 719 . 1 1 85 85 ILE HD11 H 1 0.713 0.005 . 1 . . . . 85 ILE HD11 . 25533 1 720 . 1 1 85 85 ILE HD12 H 1 0.713 0.005 . 1 . . . . 85 ILE HD12 . 25533 1 721 . 1 1 85 85 ILE HD13 H 1 0.713 0.005 . 1 . . . . 85 ILE HD13 . 25533 1 722 . 1 1 85 85 ILE HG12 H 1 1.173 0.009 . 2 . . . . 85 ILE HG12 . 25533 1 723 . 1 1 85 85 ILE HG13 H 1 1.359 0.005 . 2 . . . . 85 ILE HG13 . 25533 1 724 . 1 1 85 85 ILE HG21 H 1 0.839 0.005 . 1 . . . . 85 ILE HG21 . 25533 1 725 . 1 1 85 85 ILE HG22 H 1 0.839 0.005 . 1 . . . . 85 ILE HG22 . 25533 1 726 . 1 1 85 85 ILE HG23 H 1 0.839 0.005 . 1 . . . . 85 ILE HG23 . 25533 1 727 . 1 1 85 85 ILE C C 13 176.591 0.1 . 1 . . . . 85 ILE C . 25533 1 728 . 1 1 85 85 ILE CA C 13 63.549 0.074 . 1 . . . . 85 ILE CA . 25533 1 729 . 1 1 85 85 ILE CB C 13 37.657 0.052 . 1 . . . . 85 ILE CB . 25533 1 730 . 1 1 85 85 ILE CD1 C 13 12.991 0.1 . 1 . . . . 85 ILE CD1 . 25533 1 731 . 1 1 85 85 ILE CG1 C 13 27.642 0.006 . 1 . . . . 85 ILE CG1 . 25533 1 732 . 1 1 85 85 ILE CG2 C 13 17.666 0.1 . 1 . . . . 85 ILE CG2 . 25533 1 733 . 1 1 85 85 ILE N N 15 119.996 0.068 . 1 . . . . 85 ILE N . 25533 1 734 . 1 1 86 86 SER H H 1 7.683 0.007 . 1 . . . . 86 SER H . 25533 1 735 . 1 1 86 86 SER HA H 1 4.440 0.006 . 1 . . . . 86 SER HA . 25533 1 736 . 1 1 86 86 SER HB2 H 1 3.753 0.006 . 2 . . . . 86 SER HB2 . 25533 1 737 . 1 1 86 86 SER HB3 H 1 3.819 0.022 . 2 . . . . 86 SER HB3 . 25533 1 738 . 1 1 86 86 SER C C 13 173.672 0.1 . 1 . . . . 86 SER C . 25533 1 739 . 1 1 86 86 SER CA C 13 57.509 0.011 . 1 . . . . 86 SER CA . 25533 1 740 . 1 1 86 86 SER CB C 13 62.859 0.027 . 1 . . . . 86 SER CB . 25533 1 741 . 1 1 86 86 SER N N 15 113.734 0.040 . 1 . . . . 86 SER N . 25533 1 742 . 1 1 87 87 ASN H H 1 7.832 0.006 . 1 . . . . 87 ASN H . 25533 1 743 . 1 1 87 87 ASN HA H 1 4.554 0.009 . 1 . . . . 87 ASN HA . 25533 1 744 . 1 1 87 87 ASN HB2 H 1 2.872 0.004 . 2 . . . . 87 ASN HB2 . 25533 1 745 . 1 1 87 87 ASN HB3 H 1 2.953 0.005 . 2 . . . . 87 ASN HB3 . 25533 1 746 . 1 1 87 87 ASN HD21 H 1 7.447 0.003 . 1 . . . . 87 ASN HD21 . 25533 1 747 . 1 1 87 87 ASN HD22 H 1 6.761 0.002 . 1 . . . . 87 ASN HD22 . 25533 1 748 . 1 1 87 87 ASN C C 13 172.722 0.1 . 1 . . . . 87 ASN C . 25533 1 749 . 1 1 87 87 ASN CA C 13 53.336 0.1 . 1 . . . . 87 ASN CA . 25533 1 750 . 1 1 87 87 ASN CB C 13 38.097 0.053 . 1 . . . . 87 ASN CB . 25533 1 751 . 1 1 87 87 ASN N N 15 117.085 0.090 . 1 . . . . 87 ASN N . 25533 1 752 . 1 1 87 87 ASN ND2 N 15 111.113 0.061 . 1 . . . . 87 ASN ND2 . 25533 1 753 . 1 1 88 88 PRO HA H 1 4.524 0.006 . 1 . . . . 88 PRO HA . 25533 1 754 . 1 1 88 88 PRO HB2 H 1 1.941 0.01 . 1 . . . . 88 PRO HB2 . 25533 1 755 . 1 1 88 88 PRO C C 13 177.334 0.1 . 1 . . . . 88 PRO C . 25533 1 756 . 1 1 88 88 PRO CA C 13 64.000 0.051 . 1 . . . . 88 PRO CA . 25533 1 757 . 1 1 88 88 PRO CB C 13 32.251 0.1 . 1 . . . . 88 PRO CB . 25533 1 758 . 1 1 89 89 CYS H H 1 8.121 0.005 . 1 . . . . 89 CYS H . 25533 1 759 . 1 1 89 89 CYS HA H 1 4.721 0.01 . 1 . . . . 89 CYS HA . 25533 1 760 . 1 1 89 89 CYS HB2 H 1 3.143 0.01 . 2 . . . . 89 CYS HB2 . 25533 1 761 . 1 1 89 89 CYS HB3 H 1 2.710 0.01 . 2 . . . . 89 CYS HB3 . 25533 1 762 . 1 1 89 89 CYS C C 13 174.610 0.1 . 1 . . . . 89 CYS C . 25533 1 763 . 1 1 89 89 CYS CA C 13 52.916 0.1 . 1 . . . . 89 CYS CA . 25533 1 764 . 1 1 89 89 CYS CB C 13 38.273 0.1 . 1 . . . . 89 CYS CB . 25533 1 765 . 1 1 89 89 CYS N N 15 119.379 0.030 . 1 . . . . 89 CYS N . 25533 1 766 . 1 1 90 90 ASN H H 1 8.772 0.010 . 1 . . . . 90 ASN H . 25533 1 767 . 1 1 90 90 ASN HA H 1 4.479 0.011 . 1 . . . . 90 ASN HA . 25533 1 768 . 1 1 90 90 ASN HB2 H 1 2.746 0.016 . 2 . . . . 90 ASN HB2 . 25533 1 769 . 1 1 90 90 ASN HB3 H 1 2.717 0.01 . 2 . . . . 90 ASN HB3 . 25533 1 770 . 1 1 90 90 ASN HD21 H 1 6.914 0.01 . 1 . . . . 90 ASN HD21 . 25533 1 771 . 1 1 90 90 ASN HD22 H 1 7.534 0.01 . 1 . . . . 90 ASN HD22 . 25533 1 772 . 1 1 90 90 ASN C C 13 175.524 0.1 . 1 . . . . 90 ASN C . 25533 1 773 . 1 1 90 90 ASN CA C 13 53.410 0.017 . 1 . . . . 90 ASN CA . 25533 1 774 . 1 1 90 90 ASN CB C 13 39.026 0.1 . 1 . . . . 90 ASN CB . 25533 1 775 . 1 1 90 90 ASN N N 15 119.367 0.076 . 1 . . . . 90 ASN N . 25533 1 776 . 1 1 90 90 ASN ND2 N 15 112.406 0.004 . 1 . . . . 90 ASN ND2 . 25533 1 777 . 1 1 91 91 GLU H H 1 8.620 0.006 . 1 . . . . 91 GLU H . 25533 1 778 . 1 1 91 91 GLU HA H 1 3.990 0.006 . 1 . . . . 91 GLU HA . 25533 1 779 . 1 1 91 91 GLU HB2 H 1 1.899 0.001 . 2 . . . . 91 GLU HB2 . 25533 1 780 . 1 1 91 91 GLU HB3 H 1 1.975 0.004 . 2 . . . . 91 GLU HB3 . 25533 1 781 . 1 1 91 91 GLU HG2 H 1 2.222 0.01 . 1 . . . . 91 GLU HG2 . 25533 1 782 . 1 1 91 91 GLU HG3 H 1 2.222 0.01 . 1 . . . . 91 GLU HG3 . 25533 1 783 . 1 1 91 91 GLU C C 13 176.866 0.1 . 1 . . . . 91 GLU C . 25533 1 784 . 1 1 91 91 GLU CA C 13 58.515 0.012 . 1 . . . . 91 GLU CA . 25533 1 785 . 1 1 91 91 GLU CB C 13 29.312 0.067 . 1 . . . . 91 GLU CB . 25533 1 786 . 1 1 91 91 GLU CG C 13 38.881 0.1 . 1 . . . . 91 GLU CG . 25533 1 787 . 1 1 91 91 GLU N N 15 122.217 0.056 . 1 . . . . 91 GLU N . 25533 1 788 . 1 1 92 92 GLY H H 1 8.704 0.006 . 1 . . . . 92 GLY H . 25533 1 789 . 1 1 92 92 GLY HA2 H 1 3.545 0.001 . 2 . . . . 92 GLY HA2 . 25533 1 790 . 1 1 92 92 GLY HA3 H 1 4.172 0.01 . 2 . . . . 92 GLY HA3 . 25533 1 791 . 1 1 92 92 GLY C C 13 174.257 0.1 . 1 . . . . 92 GLY C . 25533 1 792 . 1 1 92 92 GLY CA C 13 44.959 0.046 . 1 . . . . 92 GLY CA . 25533 1 793 . 1 1 92 92 GLY N N 15 112.797 0.051 . 1 . . . . 92 GLY N . 25533 1 794 . 1 1 93 93 SER H H 1 7.702 0.008 . 1 . . . . 93 SER H . 25533 1 795 . 1 1 93 93 SER HA H 1 4.708 0.01 . 1 . . . . 93 SER HA . 25533 1 796 . 1 1 93 93 SER HB2 H 1 3.731 0.014 . 2 . . . . 93 SER HB2 . 25533 1 797 . 1 1 93 93 SER HB3 H 1 3.712 0.01 . 2 . . . . 93 SER HB3 . 25533 1 798 . 1 1 93 93 SER C C 13 173.892 0.1 . 1 . . . . 93 SER C . 25533 1 799 . 1 1 93 93 SER CA C 13 58.525 0.1 . 1 . . . . 93 SER CA . 25533 1 800 . 1 1 93 93 SER CB C 13 65.161 0.025 . 1 . . . . 93 SER CB . 25533 1 801 . 1 1 93 93 SER N N 15 113.945 0.075 . 1 . . . . 93 SER N . 25533 1 802 . 1 1 94 94 ASN H H 1 8.980 0.008 . 1 . . . . 94 ASN H . 25533 1 803 . 1 1 94 94 ASN HA H 1 4.826 0.01 . 1 . . . . 94 ASN HA . 25533 1 804 . 1 1 94 94 ASN HB2 H 1 2.696 0.001 . 2 . . . . 94 ASN HB2 . 25533 1 805 . 1 1 94 94 ASN HB3 H 1 2.719 0.01 . 2 . . . . 94 ASN HB3 . 25533 1 806 . 1 1 94 94 ASN C C 13 173.310 0.1 . 1 . . . . 94 ASN C . 25533 1 807 . 1 1 94 94 ASN CA C 13 52.762 0.003 . 1 . . . . 94 ASN CA . 25533 1 808 . 1 1 94 94 ASN CB C 13 40.198 0.007 . 1 . . . . 94 ASN CB . 25533 1 809 . 1 1 94 94 ASN N N 15 120.688 0.038 . 1 . . . . 94 ASN N . 25533 1 810 . 1 1 95 95 CYS H H 1 8.612 0.008 . 1 . . . . 95 CYS H . 25533 1 811 . 1 1 95 95 CYS HA H 1 5.414 0.008 . 1 . . . . 95 CYS HA . 25533 1 812 . 1 1 95 95 CYS HB2 H 1 2.981 0.007 . 2 . . . . 95 CYS HB2 . 25533 1 813 . 1 1 95 95 CYS HB3 H 1 2.830 0.007 . 2 . . . . 95 CYS HB3 . 25533 1 814 . 1 1 95 95 CYS C C 13 173.401 0.1 . 1 . . . . 95 CYS C . 25533 1 815 . 1 1 95 95 CYS CA C 13 56.510 0.057 . 1 . . . . 95 CYS CA . 25533 1 816 . 1 1 95 95 CYS CB C 13 41.985 0.005 . 1 . . . . 95 CYS CB . 25533 1 817 . 1 1 95 95 CYS N N 15 121.872 0.036 . 1 . . . . 95 CYS N . 25533 1 818 . 1 1 96 96 ASP H H 1 8.985 0.007 . 1 . . . . 96 ASP H . 25533 1 819 . 1 1 96 96 ASP HA H 1 4.929 0.007 . 1 . . . . 96 ASP HA . 25533 1 820 . 1 1 96 96 ASP HB2 H 1 2.494 0.006 . 2 . . . . 96 ASP HB2 . 25533 1 821 . 1 1 96 96 ASP HB3 H 1 2.494 0.007 . 2 . . . . 96 ASP HB3 . 25533 1 822 . 1 1 96 96 ASP C C 13 174.212 0.1 . 1 . . . . 96 ASP C . 25533 1 823 . 1 1 96 96 ASP CA C 13 53.579 0.001 . 1 . . . . 96 ASP CA . 25533 1 824 . 1 1 96 96 ASP CB C 13 44.744 0.014 . 1 . . . . 96 ASP CB . 25533 1 825 . 1 1 96 96 ASP N N 15 129.207 0.076 . 1 . . . . 96 ASP N . 25533 1 826 . 1 1 97 97 THR H H 1 8.687 0.004 . 1 . . . . 97 THR H . 25533 1 827 . 1 1 97 97 THR HA H 1 4.314 0.020 . 1 . . . . 97 THR HA . 25533 1 828 . 1 1 97 97 THR HB H 1 3.748 0.011 . 1 . . . . 97 THR HB . 25533 1 829 . 1 1 97 97 THR HG21 H 1 0.953 0.004 . 1 . . . . 97 THR HG21 . 25533 1 830 . 1 1 97 97 THR HG22 H 1 0.953 0.004 . 1 . . . . 97 THR HG22 . 25533 1 831 . 1 1 97 97 THR HG23 H 1 0.953 0.004 . 1 . . . . 97 THR HG23 . 25533 1 832 . 1 1 97 97 THR C C 13 174.003 0.1 . 1 . . . . 97 THR C . 25533 1 833 . 1 1 97 97 THR CA C 13 63.146 0.047 . 1 . . . . 97 THR CA . 25533 1 834 . 1 1 97 97 THR CB C 13 69.915 0.007 . 1 . . . . 97 THR CB . 25533 1 835 . 1 1 97 97 THR CG2 C 13 21.053 0.019 . 1 . . . . 97 THR CG2 . 25533 1 836 . 1 1 97 97 THR N N 15 116.963 0.140 . 1 . . . . 97 THR N . 25533 1 837 . 1 1 98 98 ASN H H 1 9.275 0.007 . 1 . . . . 98 ASN H . 25533 1 838 . 1 1 98 98 ASN HA H 1 4.618 0.01 . 1 . . . . 98 ASN HA . 25533 1 839 . 1 1 98 98 ASN HB2 H 1 3.571 0.006 . 1 . . . . 98 ASN HB2 . 25533 1 840 . 1 1 98 98 ASN HD21 H 1 7.450 0.01 . 1 . . . . 98 ASN HD21 . 25533 1 841 . 1 1 98 98 ASN HD22 H 1 7.207 0.007 . 1 . . . . 98 ASN HD22 . 25533 1 842 . 1 1 98 98 ASN C C 13 174.630 0.1 . 1 . . . . 98 ASN C . 25533 1 843 . 1 1 98 98 ASN CA C 13 51.236 0.1 . 1 . . . . 98 ASN CA . 25533 1 844 . 1 1 98 98 ASN N N 15 127.975 0.100 . 1 . . . . 98 ASN N . 25533 1 845 . 1 1 98 98 ASN ND2 N 15 113.235 0.1 . 1 . . . . 98 ASN ND2 . 25533 1 846 . 1 1 99 99 PRO HA H 1 4.299 0.001 . 1 . . . . 99 PRO HA . 25533 1 847 . 1 1 99 99 PRO HB2 H 1 2.060 0.002 . 2 . . . . 99 PRO HB2 . 25533 1 848 . 1 1 99 99 PRO HB3 H 1 2.302 0.010 . 2 . . . . 99 PRO HB3 . 25533 1 849 . 1 1 99 99 PRO C C 13 177.191 0.1 . 1 . . . . 99 PRO C . 25533 1 850 . 1 1 99 99 PRO CA C 13 64.063 0.1 . 1 . . . . 99 PRO CA . 25533 1 851 . 1 1 99 99 PRO CB C 13 32.258 0.031 . 1 . . . . 99 PRO CB . 25533 1 852 . 1 1 100 100 VAL H H 1 8.134 0.004 . 1 . . . . 100 VAL H . 25533 1 853 . 1 1 100 100 VAL HA H 1 3.918 0.006 . 1 . . . . 100 VAL HA . 25533 1 854 . 1 1 100 100 VAL HB H 1 1.979 0.006 . 1 . . . . 100 VAL HB . 25533 1 855 . 1 1 100 100 VAL HG11 H 1 0.975 0.005 . 2 . . . . 100 VAL HG11 . 25533 1 856 . 1 1 100 100 VAL HG12 H 1 0.975 0.005 . 2 . . . . 100 VAL HG12 . 25533 1 857 . 1 1 100 100 VAL HG13 H 1 0.975 0.005 . 2 . . . . 100 VAL HG13 . 25533 1 858 . 1 1 100 100 VAL HG21 H 1 0.900 0.005 . 2 . . . . 100 VAL HG21 . 25533 1 859 . 1 1 100 100 VAL HG22 H 1 0.900 0.005 . 2 . . . . 100 VAL HG22 . 25533 1 860 . 1 1 100 100 VAL HG23 H 1 0.900 0.005 . 2 . . . . 100 VAL HG23 . 25533 1 861 . 1 1 100 100 VAL C C 13 176.885 0.1 . 1 . . . . 100 VAL C . 25533 1 862 . 1 1 100 100 VAL CA C 13 64.481 0.024 . 1 . . . . 100 VAL CA . 25533 1 863 . 1 1 100 100 VAL CB C 13 32.119 0.084 . 1 . . . . 100 VAL CB . 25533 1 864 . 1 1 100 100 VAL CG1 C 13 21.879 0.070 . 2 . . . . 100 VAL CG1 . 25533 1 865 . 1 1 100 100 VAL CG2 C 13 20.952 0.025 . 2 . . . . 100 VAL CG2 . 25533 1 866 . 1 1 100 100 VAL N N 15 116.658 0.107 . 1 . . . . 100 VAL N . 25533 1 867 . 1 1 101 101 ASN H H 1 6.922 0.01 . 1 . . . . 101 ASN H . 25533 1 868 . 1 1 101 101 ASN HA H 1 4.831 0.005 . 1 . . . . 101 ASN HA . 25533 1 869 . 1 1 101 101 ASN HB2 H 1 3.150 0.004 . 2 . . . . 101 ASN HB2 . 25533 1 870 . 1 1 101 101 ASN HB3 H 1 2.637 0.006 . 2 . . . . 101 ASN HB3 . 25533 1 871 . 1 1 101 101 ASN HD21 H 1 7.436 0.003 . 1 . . . . 101 ASN HD21 . 25533 1 872 . 1 1 101 101 ASN HD22 H 1 6.754 0.004 . 1 . . . . 101 ASN HD22 . 25533 1 873 . 1 1 101 101 ASN C C 13 176.819 0.1 . 1 . . . . 101 ASN C . 25533 1 874 . 1 1 101 101 ASN CA C 13 51.873 0.021 . 1 . . . . 101 ASN CA . 25533 1 875 . 1 1 101 101 ASN CB C 13 39.783 0.006 . 1 . . . . 101 ASN CB . 25533 1 876 . 1 1 101 101 ASN N N 15 111.962 0.1 . 1 . . . . 101 ASN N . 25533 1 877 . 1 1 101 101 ASN ND2 N 15 108.826 0.066 . 1 . . . . 101 ASN ND2 . 25533 1 878 . 1 1 102 102 GLY H H 1 8.477 0.005 . 1 . . . . 102 GLY H . 25533 1 879 . 1 1 102 102 GLY HA2 H 1 3.585 0.014 . 2 . . . . 102 GLY HA2 . 25533 1 880 . 1 1 102 102 GLY HA3 H 1 4.029 0.012 . 2 . . . . 102 GLY HA3 . 25533 1 881 . 1 1 102 102 GLY C C 13 173.880 0.1 . 1 . . . . 102 GLY C . 25533 1 882 . 1 1 102 102 GLY CA C 13 46.346 0.022 . 1 . . . . 102 GLY CA . 25533 1 883 . 1 1 102 102 GLY N N 15 108.443 0.072 . 1 . . . . 102 GLY N . 25533 1 884 . 1 1 103 103 LYS H H 1 7.986 0.002 . 1 . . . . 103 LYS H . 25533 1 885 . 1 1 103 103 LYS HA H 1 4.277 0.001 . 1 . . . . 103 LYS HA . 25533 1 886 . 1 1 103 103 LYS HB2 H 1 1.772 0.001 . 1 . . . . 103 LYS HB2 . 25533 1 887 . 1 1 103 103 LYS HB3 H 1 1.771 0.01 . 1 . . . . 103 LYS HB3 . 25533 1 888 . 1 1 103 103 LYS HD2 H 1 1.598 0.01 . 2 . . . . 103 LYS HD2 . 25533 1 889 . 1 1 103 103 LYS HD3 H 1 1.606 0.008 . 2 . . . . 103 LYS HD3 . 25533 1 890 . 1 1 103 103 LYS HE2 H 1 2.946 0.01 . 1 . . . . 103 LYS HE2 . 25533 1 891 . 1 1 103 103 LYS HE3 H 1 2.946 0.01 . 1 . . . . 103 LYS HE3 . 25533 1 892 . 1 1 103 103 LYS HG2 H 1 1.264 0.01 . 2 . . . . 103 LYS HG2 . 25533 1 893 . 1 1 103 103 LYS HG3 H 1 1.271 0.008 . 2 . . . . 103 LYS HG3 . 25533 1 894 . 1 1 103 103 LYS C C 13 175.734 0.1 . 1 . . . . 103 LYS C . 25533 1 895 . 1 1 103 103 LYS CA C 13 55.971 0.001 . 1 . . . . 103 LYS CA . 25533 1 896 . 1 1 103 103 LYS CB C 13 33.528 0.010 . 1 . . . . 103 LYS CB . 25533 1 897 . 1 1 103 103 LYS CD C 13 28.997 0.1 . 1 . . . . 103 LYS CD . 25533 1 898 . 1 1 103 103 LYS CE C 13 42.325 0.1 . 1 . . . . 103 LYS CE . 25533 1 899 . 1 1 103 103 LYS CG C 13 25.688 0.1 . 1 . . . . 103 LYS CG . 25533 1 900 . 1 1 103 103 LYS N N 15 119.093 0.051 . 1 . . . . 103 LYS N . 25533 1 901 . 1 1 104 104 ALA H H 1 8.424 0.006 . 1 . . . . 104 ALA H . 25533 1 902 . 1 1 104 104 ALA HA H 1 4.491 0.007 . 1 . . . . 104 ALA HA . 25533 1 903 . 1 1 104 104 ALA HB1 H 1 1.207 0.006 . 1 . . . . 104 ALA HB1 . 25533 1 904 . 1 1 104 104 ALA HB2 H 1 1.207 0.006 . 1 . . . . 104 ALA HB2 . 25533 1 905 . 1 1 104 104 ALA HB3 H 1 1.207 0.006 . 1 . . . . 104 ALA HB3 . 25533 1 906 . 1 1 104 104 ALA C C 13 177.695 0.1 . 1 . . . . 104 ALA C . 25533 1 907 . 1 1 104 104 ALA CA C 13 52.460 0.029 . 1 . . . . 104 ALA CA . 25533 1 908 . 1 1 104 104 ALA CB C 13 19.261 0.021 . 1 . . . . 104 ALA CB . 25533 1 909 . 1 1 104 104 ALA N N 15 121.684 0.114 . 1 . . . . 104 ALA N . 25533 1 910 . 1 1 105 105 ILE H H 1 9.207 0.005 . 1 . . . . 105 ILE H . 25533 1 911 . 1 1 105 105 ILE HA H 1 4.247 0.010 . 1 . . . . 105 ILE HA . 25533 1 912 . 1 1 105 105 ILE HB H 1 1.660 0.006 . 1 . . . . 105 ILE HB . 25533 1 913 . 1 1 105 105 ILE HD11 H 1 0.775 0.006 . 1 . . . . 105 ILE HD11 . 25533 1 914 . 1 1 105 105 ILE HD12 H 1 0.775 0.006 . 1 . . . . 105 ILE HD12 . 25533 1 915 . 1 1 105 105 ILE HD13 H 1 0.775 0.006 . 1 . . . . 105 ILE HD13 . 25533 1 916 . 1 1 105 105 ILE HG12 H 1 1.031 0.01 . 2 . . . . 105 ILE HG12 . 25533 1 917 . 1 1 105 105 ILE HG13 H 1 1.479 0.01 . 2 . . . . 105 ILE HG13 . 25533 1 918 . 1 1 105 105 ILE HG21 H 1 0.845 0.002 . 1 . . . . 105 ILE HG21 . 25533 1 919 . 1 1 105 105 ILE HG22 H 1 0.845 0.002 . 1 . . . . 105 ILE HG22 . 25533 1 920 . 1 1 105 105 ILE HG23 H 1 0.845 0.002 . 1 . . . . 105 ILE HG23 . 25533 1 921 . 1 1 105 105 ILE C C 13 175.385 0.017 . 1 . . . . 105 ILE C . 25533 1 922 . 1 1 105 105 ILE CA C 13 60.540 0.042 . 1 . . . . 105 ILE CA . 25533 1 923 . 1 1 105 105 ILE CB C 13 40.260 0.031 . 1 . . . . 105 ILE CB . 25533 1 924 . 1 1 105 105 ILE CD1 C 13 13.373 0.016 . 1 . . . . 105 ILE CD1 . 25533 1 925 . 1 1 105 105 ILE CG1 C 13 27.033 0.032 . 1 . . . . 105 ILE CG1 . 25533 1 926 . 1 1 105 105 ILE CG2 C 13 17.645 0.1 . 1 . . . . 105 ILE CG2 . 25533 1 927 . 1 1 105 105 ILE N N 15 123.007 0.077 . 1 . . . . 105 ILE N . 25533 1 928 . 1 1 106 106 CYS H H 1 8.734 0.012 . 1 . . . . 106 CYS H . 25533 1 929 . 1 1 106 106 CYS HA H 1 5.683 0.013 . 1 . . . . 106 CYS HA . 25533 1 930 . 1 1 106 106 CYS HB2 H 1 2.738 0.005 . 2 . . . . 106 CYS HB2 . 25533 1 931 . 1 1 106 106 CYS HB3 H 1 3.038 0.006 . 2 . . . . 106 CYS HB3 . 25533 1 932 . 1 1 106 106 CYS C C 13 175.269 0.1 . 1 . . . . 106 CYS C . 25533 1 933 . 1 1 106 106 CYS CA C 13 52.685 0.028 . 1 . . . . 106 CYS CA . 25533 1 934 . 1 1 106 106 CYS CB C 13 40.147 0.053 . 1 . . . . 106 CYS CB . 25533 1 935 . 1 1 106 106 CYS N N 15 126.301 0.070 . 1 . . . . 106 CYS N . 25533 1 936 . 1 1 107 107 THR H H 1 8.893 0.004 . 1 . . . . 107 THR H . 25533 1 937 . 1 1 107 107 THR HA H 1 4.679 0.01 . 1 . . . . 107 THR HA . 25533 1 938 . 1 1 107 107 THR HB H 1 4.148 0.009 . 1 . . . . 107 THR HB . 25533 1 939 . 1 1 107 107 THR HG21 H 1 1.222 0.004 . 1 . . . . 107 THR HG21 . 25533 1 940 . 1 1 107 107 THR HG22 H 1 1.222 0.004 . 1 . . . . 107 THR HG22 . 25533 1 941 . 1 1 107 107 THR HG23 H 1 1.222 0.004 . 1 . . . . 107 THR HG23 . 25533 1 942 . 1 1 107 107 THR C C 13 174.286 0.1 . 1 . . . . 107 THR C . 25533 1 943 . 1 1 107 107 THR CA C 13 60.703 0.1 . 1 . . . . 107 THR CA . 25533 1 944 . 1 1 107 107 THR CB C 13 71.756 0.025 . 1 . . . . 107 THR CB . 25533 1 945 . 1 1 107 107 THR CG2 C 13 22.157 0.017 . 1 . . . . 107 THR CG2 . 25533 1 946 . 1 1 107 107 THR N N 15 116.648 0.175 . 1 . . . . 107 THR N . 25533 1 947 . 1 1 108 108 CYS H H 1 8.878 0.008 . 1 . . . . 108 CYS H . 25533 1 948 . 1 1 108 108 CYS HA H 1 5.333 0.008 . 1 . . . . 108 CYS HA . 25533 1 949 . 1 1 108 108 CYS HB2 H 1 2.647 0.001 . 2 . . . . 108 CYS HB2 . 25533 1 950 . 1 1 108 108 CYS HB3 H 1 2.977 0.003 . 2 . . . . 108 CYS HB3 . 25533 1 951 . 1 1 108 108 CYS C C 13 173.794 0.1 . 1 . . . . 108 CYS C . 25533 1 952 . 1 1 108 108 CYS CA C 13 51.570 0.030 . 1 . . . . 108 CYS CA . 25533 1 953 . 1 1 108 108 CYS CB C 13 34.621 0.002 . 1 . . . . 108 CYS CB . 25533 1 954 . 1 1 108 108 CYS N N 15 120.061 0.086 . 1 . . . . 108 CYS N . 25533 1 955 . 1 1 109 109 PRO HA H 1 4.456 0.006 . 1 . . . . 109 PRO HA . 25533 1 956 . 1 1 109 109 PRO HB2 H 1 1.922 0.015 . 2 . . . . 109 PRO HB2 . 25533 1 957 . 1 1 109 109 PRO HB3 H 1 2.403 0.005 . 2 . . . . 109 PRO HB3 . 25533 1 958 . 1 1 109 109 PRO HD2 H 1 3.912 0.01 . 1 . . . . 109 PRO HD2 . 25533 1 959 . 1 1 109 109 PRO C C 13 175.302 0.1 . 1 . . . . 109 PRO C . 25533 1 960 . 1 1 109 109 PRO CA C 13 63.147 0.008 . 1 . . . . 109 PRO CA . 25533 1 961 . 1 1 109 109 PRO CB C 13 32.085 0.089 . 1 . . . . 109 PRO CB . 25533 1 962 . 1 1 109 109 PRO CD C 13 50.805 0.1 . 1 . . . . 109 PRO CD . 25533 1 963 . 1 1 110 110 SER H H 1 8.345 0.004 . 1 . . . . 110 SER H . 25533 1 964 . 1 1 110 110 SER HA H 1 4.152 0.01 . 1 . . . . 110 SER HA . 25533 1 965 . 1 1 110 110 SER HB2 H 1 4.164 0.01 . 2 . . . . 110 SER HB2 . 25533 1 966 . 1 1 110 110 SER HB3 H 1 3.916 0.01 . 2 . . . . 110 SER HB3 . 25533 1 967 . 1 1 110 110 SER C C 13 175.320 0.1 . 1 . . . . 110 SER C . 25533 1 968 . 1 1 110 110 SER CA C 13 60.325 0.037 . 1 . . . . 110 SER CA . 25533 1 969 . 1 1 110 110 SER CB C 13 63.366 0.1 . 1 . . . . 110 SER CB . 25533 1 970 . 1 1 110 110 SER N N 15 114.478 0.111 . 1 . . . . 110 SER N . 25533 1 971 . 1 1 111 111 GLY H H 1 8.672 0.004 . 1 . . . . 111 GLY H . 25533 1 972 . 1 1 111 111 GLY HA2 H 1 3.340 0.004 . 2 . . . . 111 GLY HA2 . 25533 1 973 . 1 1 111 111 GLY HA3 H 1 4.306 0.012 . 2 . . . . 111 GLY HA3 . 25533 1 974 . 1 1 111 111 GLY C C 13 173.760 0.1 . 1 . . . . 111 GLY C . 25533 1 975 . 1 1 111 111 GLY CA C 13 44.947 0.059 . 1 . . . . 111 GLY CA . 25533 1 976 . 1 1 111 111 GLY N N 15 111.091 0.059 . 1 . . . . 111 GLY N . 25533 1 977 . 1 1 112 112 TYR H H 1 7.924 0.004 . 1 . . . . 112 TYR H . 25533 1 978 . 1 1 112 112 TYR HA H 1 5.338 0.011 . 1 . . . . 112 TYR HA . 25533 1 979 . 1 1 112 112 TYR HB2 H 1 2.565 0.002 . 2 . . . . 112 TYR HB2 . 25533 1 980 . 1 1 112 112 TYR HB3 H 1 2.883 0.004 . 2 . . . . 112 TYR HB3 . 25533 1 981 . 1 1 112 112 TYR HD1 H 1 6.696 0.002 . 1 . . . . 112 TYR HD1 . 25533 1 982 . 1 1 112 112 TYR HD2 H 1 6.696 0.002 . 1 . . . . 112 TYR HD2 . 25533 1 983 . 1 1 112 112 TYR HE1 H 1 6.811 0.020 . 1 . . . . 112 TYR HE1 . 25533 1 984 . 1 1 112 112 TYR HE2 H 1 6.811 0.020 . 1 . . . . 112 TYR HE2 . 25533 1 985 . 1 1 112 112 TYR C C 13 174.646 0.1 . 1 . . . . 112 TYR C . 25533 1 986 . 1 1 112 112 TYR CA C 13 57.507 0.023 . 1 . . . . 112 TYR CA . 25533 1 987 . 1 1 112 112 TYR CB C 13 42.794 0.007 . 1 . . . . 112 TYR CB . 25533 1 988 . 1 1 112 112 TYR N N 15 116.993 0.069 . 1 . . . . 112 TYR N . 25533 1 989 . 1 1 113 113 THR H H 1 9.291 0.002 . 1 . . . . 113 THR H . 25533 1 990 . 1 1 113 113 THR HA H 1 4.802 0.007 . 1 . . . . 113 THR HA . 25533 1 991 . 1 1 113 113 THR HB H 1 3.853 0.008 . 1 . . . . 113 THR HB . 25533 1 992 . 1 1 113 113 THR HG21 H 1 0.932 0.005 . 1 . . . . 113 THR HG21 . 25533 1 993 . 1 1 113 113 THR HG22 H 1 0.932 0.005 . 1 . . . . 113 THR HG22 . 25533 1 994 . 1 1 113 113 THR HG23 H 1 0.932 0.005 . 1 . . . . 113 THR HG23 . 25533 1 995 . 1 1 113 113 THR C C 13 173.260 0.1 . 1 . . . . 113 THR C . 25533 1 996 . 1 1 113 113 THR CA C 13 59.924 0.053 . 1 . . . . 113 THR CA . 25533 1 997 . 1 1 113 113 THR CB C 13 69.772 0.055 . 1 . . . . 113 THR CB . 25533 1 998 . 1 1 113 113 THR CG2 C 13 18.452 0.057 . 1 . . . . 113 THR CG2 . 25533 1 999 . 1 1 113 113 THR N N 15 113.848 0.042 . 1 . . . . 113 THR N . 25533 1 1000 . 1 1 114 114 GLY H H 1 7.988 0.007 . 1 . . . . 114 GLY H . 25533 1 1001 . 1 1 114 114 GLY C C 13 173.748 0.1 . 1 . . . . 114 GLY C . 25533 1 1002 . 1 1 114 114 GLY CA C 13 44.555 0.1 . 1 . . . . 114 GLY CA . 25533 1 1003 . 1 1 114 114 GLY N N 15 107.620 0.103 . 1 . . . . 114 GLY N . 25533 1 1004 . 1 1 115 115 PRO HA H 1 4.307 0.004 . 1 . . . . 115 PRO HA . 25533 1 1005 . 1 1 115 115 PRO HB2 H 1 1.948 0.01 . 2 . . . . 115 PRO HB2 . 25533 1 1006 . 1 1 115 115 PRO HB3 H 1 2.314 0.01 . 2 . . . . 115 PRO HB3 . 25533 1 1007 . 1 1 115 115 PRO HD2 H 1 3.643 0.01 . 1 . . . . 115 PRO HD2 . 25533 1 1008 . 1 1 115 115 PRO HD3 H 1 3.643 0.01 . 1 . . . . 115 PRO HD3 . 25533 1 1009 . 1 1 115 115 PRO HG2 H 1 2.060 0.01 . 2 . . . . 115 PRO HG2 . 25533 1 1010 . 1 1 115 115 PRO HG3 H 1 1.970 0.01 . 2 . . . . 115 PRO HG3 . 25533 1 1011 . 1 1 115 115 PRO C C 13 177.709 0.1 . 1 . . . . 115 PRO C . 25533 1 1012 . 1 1 115 115 PRO CA C 13 64.819 0.002 . 1 . . . . 115 PRO CA . 25533 1 1013 . 1 1 115 115 PRO CB C 13 31.522 0.004 . 1 . . . . 115 PRO CB . 25533 1 1014 . 1 1 115 115 PRO CD C 13 49.903 0.1 . 1 . . . . 115 PRO CD . 25533 1 1015 . 1 1 115 115 PRO CG C 13 27.343 0.050 . 1 . . . . 115 PRO CG . 25533 1 1016 . 1 1 116 116 ALA H H 1 8.675 0.009 . 1 . . . . 116 ALA H . 25533 1 1017 . 1 1 116 116 ALA HA H 1 4.501 0.004 . 1 . . . . 116 ALA HA . 25533 1 1018 . 1 1 116 116 ALA HB1 H 1 1.330 0.002 . 1 . . . . 116 ALA HB1 . 25533 1 1019 . 1 1 116 116 ALA HB2 H 1 1.330 0.002 . 1 . . . . 116 ALA HB2 . 25533 1 1020 . 1 1 116 116 ALA HB3 H 1 1.330 0.002 . 1 . . . . 116 ALA HB3 . 25533 1 1021 . 1 1 116 116 ALA C C 13 176.331 0.1 . 1 . . . . 116 ALA C . 25533 1 1022 . 1 1 116 116 ALA CA C 13 51.600 0.026 . 1 . . . . 116 ALA CA . 25533 1 1023 . 1 1 116 116 ALA CB C 13 18.257 0.057 . 1 . . . . 116 ALA CB . 25533 1 1024 . 1 1 116 116 ALA N N 15 121.720 0.130 . 1 . . . . 116 ALA N . 25533 1 1025 . 1 1 117 117 CYS H H 1 8.278 0.005 . 1 . . . . 117 CYS H . 25533 1 1026 . 1 1 117 117 CYS HA H 1 4.016 0.008 . 1 . . . . 117 CYS HA . 25533 1 1027 . 1 1 117 117 CYS HB2 H 1 2.906 0.008 . 2 . . . . 117 CYS HB2 . 25533 1 1028 . 1 1 117 117 CYS HB3 H 1 2.991 0.01 . 2 . . . . 117 CYS HB3 . 25533 1 1029 . 1 1 117 117 CYS C C 13 174.451 0.1 . 1 . . . . 117 CYS C . 25533 1 1030 . 1 1 117 117 CYS CA C 13 54.617 0.003 . 1 . . . . 117 CYS CA . 25533 1 1031 . 1 1 117 117 CYS CB C 13 35.430 0.053 . 1 . . . . 117 CYS CB . 25533 1 1032 . 1 1 117 117 CYS N N 15 112.041 0.175 . 1 . . . . 117 CYS N . 25533 1 1033 . 1 1 118 118 SER H H 1 7.702 0.01 . 1 . . . . 118 SER H . 25533 1 1034 . 1 1 118 118 SER HA H 1 4.515 0.01 . 1 . . . . 118 SER HA . 25533 1 1035 . 1 1 118 118 SER HB2 H 1 4.039 0.015 . 2 . . . . 118 SER HB2 . 25533 1 1036 . 1 1 118 118 SER HB3 H 1 3.633 0.013 . 2 . . . . 118 SER HB3 . 25533 1 1037 . 1 1 118 118 SER C C 13 174.768 0.1 . 1 . . . . 118 SER C . 25533 1 1038 . 1 1 118 118 SER CA C 13 58.120 0.1 . 1 . . . . 118 SER CA . 25533 1 1039 . 1 1 118 118 SER CB C 13 65.239 0.018 . 1 . . . . 118 SER CB . 25533 1 1040 . 1 1 118 118 SER N N 15 108.486 0.1 . 1 . . . . 118 SER N . 25533 1 1041 . 1 1 119 119 GLN H H 1 8.569 0.006 . 1 . . . . 119 GLN H . 25533 1 1042 . 1 1 119 119 GLN HA H 1 4.610 0.001 . 1 . . . . 119 GLN HA . 25533 1 1043 . 1 1 119 119 GLN HB2 H 1 1.918 0.004 . 2 . . . . 119 GLN HB2 . 25533 1 1044 . 1 1 119 119 GLN HB3 H 1 1.911 0.01 . 2 . . . . 119 GLN HB3 . 25533 1 1045 . 1 1 119 119 GLN HG2 H 1 2.330 0.006 . 2 . . . . 119 GLN HG2 . 25533 1 1046 . 1 1 119 119 GLN HG3 H 1 2.324 0.01 . 2 . . . . 119 GLN HG3 . 25533 1 1047 . 1 1 119 119 GLN C C 13 174.869 0.1 . 1 . . . . 119 GLN C . 25533 1 1048 . 1 1 119 119 GLN CA C 13 54.506 0.1 . 1 . . . . 119 GLN CA . 25533 1 1049 . 1 1 119 119 GLN CB C 13 29.987 0.006 . 1 . . . . 119 GLN CB . 25533 1 1050 . 1 1 119 119 GLN CG C 13 33.758 0.1 . 1 . . . . 119 GLN CG . 25533 1 1051 . 1 1 119 119 GLN N N 15 122.134 0.062 . 1 . . . . 119 GLN N . 25533 1 1052 . 1 1 120 120 ASP H H 1 8.788 0.003 . 1 . . . . 120 ASP H . 25533 1 1053 . 1 1 120 120 ASP HA H 1 4.350 0.009 . 1 . . . . 120 ASP HA . 25533 1 1054 . 1 1 120 120 ASP HB2 H 1 2.316 0.012 . 2 . . . . 120 ASP HB2 . 25533 1 1055 . 1 1 120 120 ASP HB3 H 1 2.598 0.006 . 2 . . . . 120 ASP HB3 . 25533 1 1056 . 1 1 120 120 ASP C C 13 176.241 0.1 . 1 . . . . 120 ASP C . 25533 1 1057 . 1 1 120 120 ASP CA C 13 55.050 0.015 . 1 . . . . 120 ASP CA . 25533 1 1058 . 1 1 120 120 ASP CB C 13 43.520 0.065 . 1 . . . . 120 ASP CB . 25533 1 1059 . 1 1 120 120 ASP N N 15 123.614 0.075 . 1 . . . . 120 ASP N . 25533 1 1060 . 1 1 121 121 VAL H H 1 7.725 0.004 . 1 . . . . 121 VAL H . 25533 1 1061 . 1 1 121 121 VAL HA H 1 3.609 0.007 . 1 . . . . 121 VAL HA . 25533 1 1062 . 1 1 121 121 VAL HB H 1 1.533 0.005 . 1 . . . . 121 VAL HB . 25533 1 1063 . 1 1 121 121 VAL HG11 H 1 0.631 0.004 . 2 . . . . 121 VAL HG11 . 25533 1 1064 . 1 1 121 121 VAL HG12 H 1 0.631 0.004 . 2 . . . . 121 VAL HG12 . 25533 1 1065 . 1 1 121 121 VAL HG13 H 1 0.631 0.004 . 2 . . . . 121 VAL HG13 . 25533 1 1066 . 1 1 121 121 VAL HG21 H 1 0.619 0.005 . 2 . . . . 121 VAL HG21 . 25533 1 1067 . 1 1 121 121 VAL HG22 H 1 0.619 0.005 . 2 . . . . 121 VAL HG22 . 25533 1 1068 . 1 1 121 121 VAL HG23 H 1 0.619 0.005 . 2 . . . . 121 VAL HG23 . 25533 1 1069 . 1 1 121 121 VAL C C 13 173.859 0.1 . 1 . . . . 121 VAL C . 25533 1 1070 . 1 1 121 121 VAL CA C 13 62.455 0.016 . 1 . . . . 121 VAL CA . 25533 1 1071 . 1 1 121 121 VAL CB C 13 33.534 0.045 . 1 . . . . 121 VAL CB . 25533 1 1072 . 1 1 121 121 VAL CG1 C 13 20.731 0.1 . 2 . . . . 121 VAL CG1 . 25533 1 1073 . 1 1 121 121 VAL CG2 C 13 21.878 0.1 . 2 . . . . 121 VAL CG2 . 25533 1 1074 . 1 1 121 121 VAL N N 15 126.861 0.056 . 1 . . . . 121 VAL N . 25533 1 1075 . 1 1 122 122 ASP H H 1 8.694 0.003 . 1 . . . . 122 ASP H . 25533 1 1076 . 1 1 122 122 ASP HA H 1 4.909 0.008 . 1 . . . . 122 ASP HA . 25533 1 1077 . 1 1 122 122 ASP HB2 H 1 2.827 0.01 . 2 . . . . 122 ASP HB2 . 25533 1 1078 . 1 1 122 122 ASP HB3 H 1 2.380 0.01 . 2 . . . . 122 ASP HB3 . 25533 1 1079 . 1 1 122 122 ASP C C 13 176.850 0.1 . 1 . . . . 122 ASP C . 25533 1 1080 . 1 1 122 122 ASP CA C 13 50.973 0.1 . 1 . . . . 122 ASP CA . 25533 1 1081 . 1 1 122 122 ASP CB C 13 38.897 0.1 . 1 . . . . 122 ASP CB . 25533 1 1082 . 1 1 122 122 ASP N N 15 126.048 0.082 . 1 . . . . 122 ASP N . 25533 1 1083 . 1 1 123 123 GLU H H 1 9.575 0.003 . 1 . . . . 123 GLU H . 25533 1 1084 . 1 1 123 123 GLU HA H 1 3.480 0.005 . 1 . . . . 123 GLU HA . 25533 1 1085 . 1 1 123 123 GLU HB2 H 1 1.416 0.01 . 2 . . . . 123 GLU HB2 . 25533 1 1086 . 1 1 123 123 GLU HB3 H 1 1.086 0.01 . 2 . . . . 123 GLU HB3 . 25533 1 1087 . 1 1 123 123 GLU HG2 H 1 1.967 0.01 . 2 . . . . 123 GLU HG2 . 25533 1 1088 . 1 1 123 123 GLU HG3 H 1 2.532 0.01 . 2 . . . . 123 GLU HG3 . 25533 1 1089 . 1 1 123 123 GLU C C 13 177.214 0.1 . 1 . . . . 123 GLU C . 25533 1 1090 . 1 1 123 123 GLU CA C 13 61.115 0.032 . 1 . . . . 123 GLU CA . 25533 1 1091 . 1 1 123 123 GLU CB C 13 28.184 0.010 . 1 . . . . 123 GLU CB . 25533 1 1092 . 1 1 123 123 GLU CG C 13 38.219 0.031 . 1 . . . . 123 GLU CG . 25533 1 1093 . 1 1 123 123 GLU N N 15 125.327 0.101 . 1 . . . . 123 GLU N . 25533 1 1094 . 1 1 124 124 CYS H H 1 7.996 0.003 . 1 . . . . 124 CYS H . 25533 1 1095 . 1 1 124 124 CYS HA H 1 4.361 0.01 . 1 . . . . 124 CYS HA . 25533 1 1096 . 1 1 124 124 CYS HB2 H 1 3.129 0.002 . 2 . . . . 124 CYS HB2 . 25533 1 1097 . 1 1 124 124 CYS HB3 H 1 3.266 0.008 . 2 . . . . 124 CYS HB3 . 25533 1 1098 . 1 1 124 124 CYS C C 13 176.452 0.1 . 1 . . . . 124 CYS C . 25533 1 1099 . 1 1 124 124 CYS CA C 13 53.103 0.1 . 1 . . . . 124 CYS CA . 25533 1 1100 . 1 1 124 124 CYS CB C 13 35.670 0.039 . 1 . . . . 124 CYS CB . 25533 1 1101 . 1 1 124 124 CYS N N 15 112.477 0.143 . 1 . . . . 124 CYS N . 25533 1 1102 . 1 1 125 125 SER H H 1 7.328 0.002 . 1 . . . . 125 SER H . 25533 1 1103 . 1 1 125 125 SER HA H 1 4.636 0.005 . 1 . . . . 125 SER HA . 25533 1 1104 . 1 1 125 125 SER HB2 H 1 3.660 0.003 . 2 . . . . 125 SER HB2 . 25533 1 1105 . 1 1 125 125 SER HB3 H 1 3.821 0.006 . 2 . . . . 125 SER HB3 . 25533 1 1106 . 1 1 125 125 SER C C 13 174.204 0.1 . 1 . . . . 125 SER C . 25533 1 1107 . 1 1 125 125 SER CA C 13 57.818 0.019 . 1 . . . . 125 SER CA . 25533 1 1108 . 1 1 125 125 SER CB C 13 64.338 0.074 . 1 . . . . 125 SER CB . 25533 1 1109 . 1 1 125 125 SER N N 15 114.373 0.037 . 1 . . . . 125 SER N . 25533 1 1110 . 1 1 126 126 LEU H H 1 7.351 0.003 . 1 . . . . 126 LEU H . 25533 1 1111 . 1 1 126 126 LEU HA H 1 4.226 0.006 . 1 . . . . 126 LEU HA . 25533 1 1112 . 1 1 126 126 LEU HB2 H 1 1.503 0.01 . 2 . . . . 126 LEU HB2 . 25533 1 1113 . 1 1 126 126 LEU HB3 H 1 1.551 0.01 . 2 . . . . 126 LEU HB3 . 25533 1 1114 . 1 1 126 126 LEU HD11 H 1 0.697 0.01 . 2 . . . . 126 LEU HD11 . 25533 1 1115 . 1 1 126 126 LEU HD12 H 1 0.697 0.01 . 2 . . . . 126 LEU HD12 . 25533 1 1116 . 1 1 126 126 LEU HD13 H 1 0.697 0.01 . 2 . . . . 126 LEU HD13 . 25533 1 1117 . 1 1 126 126 LEU HD21 H 1 0.750 0.01 . 2 . . . . 126 LEU HD21 . 25533 1 1118 . 1 1 126 126 LEU HD22 H 1 0.750 0.01 . 2 . . . . 126 LEU HD22 . 25533 1 1119 . 1 1 126 126 LEU HD23 H 1 0.750 0.01 . 2 . . . . 126 LEU HD23 . 25533 1 1120 . 1 1 126 126 LEU HG H 1 1.595 0.01 . 1 . . . . 126 LEU HG . 25533 1 1121 . 1 1 126 126 LEU C C 13 177.268 0.1 . 1 . . . . 126 LEU C . 25533 1 1122 . 1 1 126 126 LEU CA C 13 55.513 0.006 . 1 . . . . 126 LEU CA . 25533 1 1123 . 1 1 126 126 LEU CB C 13 42.399 0.001 . 1 . . . . 126 LEU CB . 25533 1 1124 . 1 1 126 126 LEU CD1 C 13 22.944 0.1 . 2 . . . . 126 LEU CD1 . 25533 1 1125 . 1 1 126 126 LEU CD2 C 13 25.263 0.1 . 2 . . . . 126 LEU CD2 . 25533 1 1126 . 1 1 126 126 LEU CG C 13 26.263 0.1 . 1 . . . . 126 LEU CG . 25533 1 1127 . 1 1 126 126 LEU N N 15 121.319 0.049 . 1 . . . . 126 LEU N . 25533 1 1128 . 1 1 127 127 GLY H H 1 8.139 0.001 . 1 . . . . 127 GLY H . 25533 1 1129 . 1 1 127 127 GLY HA2 H 1 3.932 0.006 . 2 . . . . 127 GLY HA2 . 25533 1 1130 . 1 1 127 127 GLY HA3 H 1 3.613 0.009 . 2 . . . . 127 GLY HA3 . 25533 1 1131 . 1 1 127 127 GLY C C 13 173.071 0.1 . 1 . . . . 127 GLY C . 25533 1 1132 . 1 1 127 127 GLY CA C 13 45.944 0.008 . 1 . . . . 127 GLY CA . 25533 1 1133 . 1 1 127 127 GLY N N 15 107.831 0.039 . 1 . . . . 127 GLY N . 25533 1 1134 . 1 1 128 128 ALA H H 1 7.939 0.002 . 1 . . . . 128 ALA H . 25533 1 1135 . 1 1 128 128 ALA HA H 1 4.234 0.002 . 1 . . . . 128 ALA HA . 25533 1 1136 . 1 1 128 128 ALA HB1 H 1 1.189 0.006 . 1 . . . . 128 ALA HB1 . 25533 1 1137 . 1 1 128 128 ALA HB2 H 1 1.189 0.006 . 1 . . . . 128 ALA HB2 . 25533 1 1138 . 1 1 128 128 ALA HB3 H 1 1.189 0.006 . 1 . . . . 128 ALA HB3 . 25533 1 1139 . 1 1 128 128 ALA C C 13 176.988 0.1 . 1 . . . . 128 ALA C . 25533 1 1140 . 1 1 128 128 ALA CA C 13 51.508 0.043 . 1 . . . . 128 ALA CA . 25533 1 1141 . 1 1 128 128 ALA CB C 13 19.393 0.018 . 1 . . . . 128 ALA CB . 25533 1 1142 . 1 1 128 128 ALA N N 15 125.385 0.092 . 1 . . . . 128 ALA N . 25533 1 1143 . 1 1 129 129 ASN H H 1 8.513 0.004 . 1 . . . . 129 ASN H . 25533 1 1144 . 1 1 129 129 ASN HA H 1 4.750 0.01 . 1 . . . . 129 ASN HA . 25533 1 1145 . 1 1 129 129 ASN HB2 H 1 2.247 0.01 . 2 . . . . 129 ASN HB2 . 25533 1 1146 . 1 1 129 129 ASN HB3 H 1 2.828 0.002 . 2 . . . . 129 ASN HB3 . 25533 1 1147 . 1 1 129 129 ASN HD21 H 1 7.138 0.01 . 1 . . . . 129 ASN HD21 . 25533 1 1148 . 1 1 129 129 ASN HD22 H 1 7.066 0.002 . 1 . . . . 129 ASN HD22 . 25533 1 1149 . 1 1 129 129 ASN C C 13 174.790 0.1 . 1 . . . . 129 ASN C . 25533 1 1150 . 1 1 129 129 ASN CA C 13 51.099 0.1 . 1 . . . . 129 ASN CA . 25533 1 1151 . 1 1 129 129 ASN N N 15 122.792 0.126 . 1 . . . . 129 ASN N . 25533 1 1152 . 1 1 129 129 ASN ND2 N 15 107.887 0.1 . 1 . . . . 129 ASN ND2 . 25533 1 1153 . 1 1 130 130 PRO HA H 1 4.301 0.005 . 1 . . . . 130 PRO HA . 25533 1 1154 . 1 1 130 130 PRO HB2 H 1 1.692 0.004 . 2 . . . . 130 PRO HB2 . 25533 1 1155 . 1 1 130 130 PRO HB3 H 1 1.819 0.019 . 2 . . . . 130 PRO HB3 . 25533 1 1156 . 1 1 130 130 PRO HD2 H 1 3.619 0.01 . 2 . . . . 130 PRO HD2 . 25533 1 1157 . 1 1 130 130 PRO HD3 H 1 3.613 0.008 . 2 . . . . 130 PRO HD3 . 25533 1 1158 . 1 1 130 130 PRO HG2 H 1 1.905 0.01 . 2 . . . . 130 PRO HG2 . 25533 1 1159 . 1 1 130 130 PRO HG3 H 1 2.053 0.01 . 2 . . . . 130 PRO HG3 . 25533 1 1160 . 1 1 130 130 PRO C C 13 176.327 0.1 . 1 . . . . 130 PRO C . 25533 1 1161 . 1 1 130 130 PRO CA C 13 63.435 0.030 . 1 . . . . 130 PRO CA . 25533 1 1162 . 1 1 130 130 PRO CB C 13 31.901 0.023 . 1 . . . . 130 PRO CB . 25533 1 1163 . 1 1 130 130 PRO CD C 13 50.511 0.010 . 1 . . . . 130 PRO CD . 25533 1 1164 . 1 1 130 130 PRO CG C 13 27.219 0.065 . 1 . . . . 130 PRO CG . 25533 1 1165 . 1 1 131 131 CYS H H 1 7.992 0.003 . 1 . . . . 131 CYS H . 25533 1 1166 . 1 1 131 131 CYS HA H 1 4.402 0.01 . 1 . . . . 131 CYS HA . 25533 1 1167 . 1 1 131 131 CYS HB2 H 1 2.786 0.01 . 2 . . . . 131 CYS HB2 . 25533 1 1168 . 1 1 131 131 CYS HB3 H 1 2.299 0.01 . 2 . . . . 131 CYS HB3 . 25533 1 1169 . 1 1 131 131 CYS C C 13 173.613 0.1 . 1 . . . . 131 CYS C . 25533 1 1170 . 1 1 131 131 CYS CA C 13 53.392 0.1 . 1 . . . . 131 CYS CA . 25533 1 1171 . 1 1 131 131 CYS CB C 13 39.237 0.1 . 1 . . . . 131 CYS CB . 25533 1 1172 . 1 1 131 131 CYS N N 15 118.655 0.055 . 1 . . . . 131 CYS N . 25533 1 1173 . 1 1 132 132 GLU H H 1 8.461 0.005 . 1 . . . . 132 GLU H . 25533 1 1174 . 1 1 132 132 GLU HA H 1 3.970 0.002 . 1 . . . . 132 GLU HA . 25533 1 1175 . 1 1 132 132 GLU HB2 H 1 1.436 0.006 . 2 . . . . 132 GLU HB2 . 25533 1 1176 . 1 1 132 132 GLU HB3 H 1 1.639 0.005 . 2 . . . . 132 GLU HB3 . 25533 1 1177 . 1 1 132 132 GLU HG2 H 1 2.087 0.01 . 2 . . . . 132 GLU HG2 . 25533 1 1178 . 1 1 132 132 GLU HG3 H 1 2.220 0.01 . 2 . . . . 132 GLU HG3 . 25533 1 1179 . 1 1 132 132 GLU C C 13 176.193 0.1 . 1 . . . . 132 GLU C . 25533 1 1180 . 1 1 132 132 GLU CA C 13 55.988 0.027 . 1 . . . . 132 GLU CA . 25533 1 1181 . 1 1 132 132 GLU CB C 13 30.235 0.040 . 1 . . . . 132 GLU CB . 25533 1 1182 . 1 1 132 132 GLU CG C 13 36.057 0.008 . 1 . . . . 132 GLU CG . 25533 1 1183 . 1 1 132 132 GLU N N 15 121.057 0.092 . 1 . . . . 132 GLU N . 25533 1 1184 . 1 1 133 133 HIS H H 1 8.784 0.001 . 1 . . . . 133 HIS H . 25533 1 1185 . 1 1 133 133 HIS HA H 1 3.876 0.007 . 1 . . . . 133 HIS HA . 25533 1 1186 . 1 1 133 133 HIS HB2 H 1 2.268 0.014 . 2 . . . . 133 HIS HB2 . 25533 1 1187 . 1 1 133 133 HIS HB3 H 1 2.365 0.01 . 2 . . . . 133 HIS HB3 . 25533 1 1188 . 1 1 133 133 HIS C C 13 175.325 0.1 . 1 . . . . 133 HIS C . 25533 1 1189 . 1 1 133 133 HIS CA C 13 57.477 0.027 . 1 . . . . 133 HIS CA . 25533 1 1190 . 1 1 133 133 HIS CB C 13 25.817 0.018 . 1 . . . . 133 HIS CB . 25533 1 1191 . 1 1 133 133 HIS N N 15 113.006 0.116 . 1 . . . . 133 HIS N . 25533 1 1192 . 1 1 134 134 ALA H H 1 8.774 0.002 . 1 . . . . 134 ALA H . 25533 1 1193 . 1 1 134 134 ALA HA H 1 3.764 0.01 . 1 . . . . 134 ALA HA . 25533 1 1194 . 1 1 134 134 ALA HB1 H 1 1.406 0.007 . 1 . . . . 134 ALA HB1 . 25533 1 1195 . 1 1 134 134 ALA HB2 H 1 1.406 0.007 . 1 . . . . 134 ALA HB2 . 25533 1 1196 . 1 1 134 134 ALA HB3 H 1 1.406 0.007 . 1 . . . . 134 ALA HB3 . 25533 1 1197 . 1 1 134 134 ALA C C 13 176.449 0.1 . 1 . . . . 134 ALA C . 25533 1 1198 . 1 1 134 134 ALA CA C 13 53.023 0.1 . 1 . . . . 134 ALA CA . 25533 1 1199 . 1 1 134 134 ALA CB C 13 16.856 0.011 . 1 . . . . 134 ALA CB . 25533 1 1200 . 1 1 134 134 ALA N N 15 116.610 0.097 . 1 . . . . 134 ALA N . 25533 1 1201 . 1 1 135 135 GLY H H 1 7.150 0.004 . 1 . . . . 135 GLY H . 25533 1 1202 . 1 1 135 135 GLY HA2 H 1 3.305 0.01 . 2 . . . . 135 GLY HA2 . 25533 1 1203 . 1 1 135 135 GLY HA3 H 1 4.087 0.001 . 2 . . . . 135 GLY HA3 . 25533 1 1204 . 1 1 135 135 GLY C C 13 171.390 0.1 . 1 . . . . 135 GLY C . 25533 1 1205 . 1 1 135 135 GLY CA C 13 45.939 0.1 . 1 . . . . 135 GLY CA . 25533 1 1206 . 1 1 135 135 GLY N N 15 102.449 0.036 . 1 . . . . 135 GLY N . 25533 1 1207 . 1 1 136 136 LYS H H 1 8.312 0.003 . 1 . . . . 136 LYS H . 25533 1 1208 . 1 1 136 136 LYS HA H 1 4.388 0.01 . 1 . . . . 136 LYS HA . 25533 1 1209 . 1 1 136 136 LYS HB2 H 1 1.841 0.006 . 2 . . . . 136 LYS HB2 . 25533 1 1210 . 1 1 136 136 LYS HB3 H 1 1.835 0.01 . 2 . . . . 136 LYS HB3 . 25533 1 1211 . 1 1 136 136 LYS HD2 H 1 1.680 0.008 . 2 . . . . 136 LYS HD2 . 25533 1 1212 . 1 1 136 136 LYS HD3 H 1 1.672 0.01 . 2 . . . . 136 LYS HD3 . 25533 1 1213 . 1 1 136 136 LYS HE2 H 1 2.950 0.01 . 2 . . . . 136 LYS HE2 . 25533 1 1214 . 1 1 136 136 LYS HE3 H 1 2.939 0.01 . 2 . . . . 136 LYS HE3 . 25533 1 1215 . 1 1 136 136 LYS HG2 H 1 1.433 0.01 . 2 . . . . 136 LYS HG2 . 25533 1 1216 . 1 1 136 136 LYS HG3 H 1 1.292 0.011 . 2 . . . . 136 LYS HG3 . 25533 1 1217 . 1 1 136 136 LYS C C 13 174.400 0.1 . 1 . . . . 136 LYS C . 25533 1 1218 . 1 1 136 136 LYS CA C 13 55.510 0.1 . 1 . . . . 136 LYS CA . 25533 1 1219 . 1 1 136 136 LYS CB C 13 33.924 0.058 . 1 . . . . 136 LYS CB . 25533 1 1220 . 1 1 136 136 LYS CD C 13 29.307 0.1 . 1 . . . . 136 LYS CD . 25533 1 1221 . 1 1 136 136 LYS CE C 13 42.282 0.001 . 1 . . . . 136 LYS CE . 25533 1 1222 . 1 1 136 136 LYS CG C 13 24.903 0.001 . 1 . . . . 136 LYS CG . 25533 1 1223 . 1 1 136 136 LYS N N 15 120.969 0.047 . 1 . . . . 136 LYS N . 25533 1 1224 . 1 1 137 137 CYS H H 1 8.758 0.003 . 1 . . . . 137 CYS H . 25533 1 1225 . 1 1 137 137 CYS HA H 1 5.022 0.004 . 1 . . . . 137 CYS HA . 25533 1 1226 . 1 1 137 137 CYS HB2 H 1 3.070 0.009 . 2 . . . . 137 CYS HB2 . 25533 1 1227 . 1 1 137 137 CYS HB3 H 1 2.898 0.01 . 2 . . . . 137 CYS HB3 . 25533 1 1228 . 1 1 137 137 CYS C C 13 174.209 0.1 . 1 . . . . 137 CYS C . 25533 1 1229 . 1 1 137 137 CYS CA C 13 58.097 0.056 . 1 . . . . 137 CYS CA . 25533 1 1230 . 1 1 137 137 CYS CB C 13 35.555 0.050 . 1 . . . . 137 CYS CB . 25533 1 1231 . 1 1 137 137 CYS N N 15 127.988 0.019 . 1 . . . . 137 CYS N . 25533 1 1232 . 1 1 138 138 ILE H H 1 9.694 0.001 . 1 . . . . 138 ILE H . 25533 1 1233 . 1 1 138 138 ILE HA H 1 4.252 0.011 . 1 . . . . 138 ILE HA . 25533 1 1234 . 1 1 138 138 ILE HB H 1 1.877 0.009 . 1 . . . . 138 ILE HB . 25533 1 1235 . 1 1 138 138 ILE HD11 H 1 0.753 0.019 . 1 . . . . 138 ILE HD11 . 25533 1 1236 . 1 1 138 138 ILE HD12 H 1 0.753 0.019 . 1 . . . . 138 ILE HD12 . 25533 1 1237 . 1 1 138 138 ILE HD13 H 1 0.753 0.019 . 1 . . . . 138 ILE HD13 . 25533 1 1238 . 1 1 138 138 ILE HG12 H 1 1.186 0.01 . 2 . . . . 138 ILE HG12 . 25533 1 1239 . 1 1 138 138 ILE HG13 H 1 1.417 0.004 . 2 . . . . 138 ILE HG13 . 25533 1 1240 . 1 1 138 138 ILE HG21 H 1 0.791 0.007 . 1 . . . . 138 ILE HG21 . 25533 1 1241 . 1 1 138 138 ILE HG22 H 1 0.791 0.007 . 1 . . . . 138 ILE HG22 . 25533 1 1242 . 1 1 138 138 ILE HG23 H 1 0.791 0.007 . 1 . . . . 138 ILE HG23 . 25533 1 1243 . 1 1 138 138 ILE C C 13 174.596 0.1 . 1 . . . . 138 ILE C . 25533 1 1244 . 1 1 138 138 ILE CA C 13 60.053 0.019 . 1 . . . . 138 ILE CA . 25533 1 1245 . 1 1 138 138 ILE CB C 13 39.669 0.028 . 1 . . . . 138 ILE CB . 25533 1 1246 . 1 1 138 138 ILE CD1 C 13 12.639 0.007 . 1 . . . . 138 ILE CD1 . 25533 1 1247 . 1 1 138 138 ILE CG1 C 13 26.831 0.002 . 1 . . . . 138 ILE CG1 . 25533 1 1248 . 1 1 138 138 ILE CG2 C 13 17.072 0.011 . 1 . . . . 138 ILE CG2 . 25533 1 1249 . 1 1 138 138 ILE N N 15 131.978 0.072 . 1 . . . . 138 ILE N . 25533 1 1250 . 1 1 139 139 ASN H H 1 9.103 0.003 . 1 . . . . 139 ASN H . 25533 1 1251 . 1 1 139 139 ASN HA H 1 4.871 0.009 . 1 . . . . 139 ASN HA . 25533 1 1252 . 1 1 139 139 ASN HB2 H 1 2.583 0.011 . 2 . . . . 139 ASN HB2 . 25533 1 1253 . 1 1 139 139 ASN HB3 H 1 2.957 0.008 . 2 . . . . 139 ASN HB3 . 25533 1 1254 . 1 1 139 139 ASN C C 13 175.283 0.1 . 1 . . . . 139 ASN C . 25533 1 1255 . 1 1 139 139 ASN CA C 13 54.795 0.073 . 1 . . . . 139 ASN CA . 25533 1 1256 . 1 1 139 139 ASN CB C 13 39.376 0.090 . 1 . . . . 139 ASN CB . 25533 1 1257 . 1 1 139 139 ASN N N 15 126.901 0.041 . 1 . . . . 139 ASN N . 25533 1 1258 . 1 1 140 140 THR H H 1 7.870 0.007 . 1 . . . . 140 THR H . 25533 1 1259 . 1 1 140 140 THR HA H 1 4.630 0.01 . 1 . . . . 140 THR HA . 25533 1 1260 . 1 1 140 140 THR HB H 1 4.216 0.017 . 1 . . . . 140 THR HB . 25533 1 1261 . 1 1 140 140 THR HG21 H 1 0.989 0.005 . 1 . . . . 140 THR HG21 . 25533 1 1262 . 1 1 140 140 THR HG22 H 1 0.989 0.005 . 1 . . . . 140 THR HG22 . 25533 1 1263 . 1 1 140 140 THR HG23 H 1 0.989 0.005 . 1 . . . . 140 THR HG23 . 25533 1 1264 . 1 1 140 140 THR C C 13 173.883 0.1 . 1 . . . . 140 THR C . 25533 1 1265 . 1 1 140 140 THR CA C 13 59.587 0.1 . 1 . . . . 140 THR CA . 25533 1 1266 . 1 1 140 140 THR CB C 13 71.234 0.1 . 1 . . . . 140 THR CB . 25533 1 1267 . 1 1 140 140 THR CG2 C 13 21.831 0.090 . 1 . . . . 140 THR CG2 . 25533 1 1268 . 1 1 140 140 THR N N 15 116.988 0.078 . 1 . . . . 140 THR N . 25533 1 1269 . 1 1 141 141 LEU H H 1 8.604 0.003 . 1 . . . . 141 LEU H . 25533 1 1270 . 1 1 141 141 LEU HA H 1 4.025 0.007 . 1 . . . . 141 LEU HA . 25533 1 1271 . 1 1 141 141 LEU HB2 H 1 1.574 0.014 . 2 . . . . 141 LEU HB2 . 25533 1 1272 . 1 1 141 141 LEU HB3 H 1 1.718 0.002 . 2 . . . . 141 LEU HB3 . 25533 1 1273 . 1 1 141 141 LEU HD11 H 1 0.978 0.006 . 2 . . . . 141 LEU HD11 . 25533 1 1274 . 1 1 141 141 LEU HD12 H 1 0.978 0.006 . 2 . . . . 141 LEU HD12 . 25533 1 1275 . 1 1 141 141 LEU HD13 H 1 0.978 0.006 . 2 . . . . 141 LEU HD13 . 25533 1 1276 . 1 1 141 141 LEU HD21 H 1 0.911 0.01 . 2 . . . . 141 LEU HD21 . 25533 1 1277 . 1 1 141 141 LEU HD22 H 1 0.911 0.01 . 2 . . . . 141 LEU HD22 . 25533 1 1278 . 1 1 141 141 LEU HD23 H 1 0.911 0.01 . 2 . . . . 141 LEU HD23 . 25533 1 1279 . 1 1 141 141 LEU HG H 1 1.627 0.01 . 1 . . . . 141 LEU HG . 25533 1 1280 . 1 1 141 141 LEU C C 13 176.582 0.1 . 1 . . . . 141 LEU C . 25533 1 1281 . 1 1 141 141 LEU CA C 13 56.310 0.011 . 1 . . . . 141 LEU CA . 25533 1 1282 . 1 1 141 141 LEU CB C 13 40.235 0.007 . 1 . . . . 141 LEU CB . 25533 1 1283 . 1 1 141 141 LEU CD1 C 13 24.621 0.1 . 2 . . . . 141 LEU CD1 . 25533 1 1284 . 1 1 141 141 LEU CD2 C 13 24.708 0.1 . 2 . . . . 141 LEU CD2 . 25533 1 1285 . 1 1 141 141 LEU CG C 13 26.831 0.1 . 1 . . . . 141 LEU CG . 25533 1 1286 . 1 1 141 141 LEU N N 15 123.317 0.076 . 1 . . . . 141 LEU N . 25533 1 1287 . 1 1 142 142 GLY H H 1 9.143 0.003 . 1 . . . . 142 GLY H . 25533 1 1288 . 1 1 142 142 GLY HA2 H 1 4.174 0.01 . 2 . . . . 142 GLY HA2 . 25533 1 1289 . 1 1 142 142 GLY HA3 H 1 2.917 0.01 . 2 . . . . 142 GLY HA3 . 25533 1 1290 . 1 1 142 142 GLY C C 13 174.115 0.1 . 1 . . . . 142 GLY C . 25533 1 1291 . 1 1 142 142 GLY CA C 13 46.283 0.014 . 1 . . . . 142 GLY CA . 25533 1 1292 . 1 1 142 142 GLY N N 15 118.953 0.034 . 1 . . . . 142 GLY N . 25533 1 1293 . 1 1 143 143 SER H H 1 6.596 0.003 . 1 . . . . 143 SER H . 25533 1 1294 . 1 1 143 143 SER HA H 1 4.314 0.01 . 1 . . . . 143 SER HA . 25533 1 1295 . 1 1 143 143 SER HB2 H 1 3.369 0.01 . 2 . . . . 143 SER HB2 . 25533 1 1296 . 1 1 143 143 SER HB3 H 1 3.820 0.01 . 2 . . . . 143 SER HB3 . 25533 1 1297 . 1 1 143 143 SER C C 13 173.285 0.1 . 1 . . . . 143 SER C . 25533 1 1298 . 1 1 143 143 SER CA C 13 55.962 0.004 . 1 . . . . 143 SER CA . 25533 1 1299 . 1 1 143 143 SER CB C 13 63.009 0.1 . 1 . . . . 143 SER CB . 25533 1 1300 . 1 1 143 143 SER N N 15 111.983 0.031 . 1 . . . . 143 SER N . 25533 1 1301 . 1 1 144 144 PHE H H 1 8.945 0.002 . 1 . . . . 144 PHE H . 25533 1 1302 . 1 1 144 144 PHE HA H 1 5.101 0.002 . 1 . . . . 144 PHE HA . 25533 1 1303 . 1 1 144 144 PHE HB2 H 1 3.031 0.003 . 2 . . . . 144 PHE HB2 . 25533 1 1304 . 1 1 144 144 PHE HB3 H 1 3.618 0.003 . 2 . . . . 144 PHE HB3 . 25533 1 1305 . 1 1 144 144 PHE C C 13 172.486 0.1 . 1 . . . . 144 PHE C . 25533 1 1306 . 1 1 144 144 PHE CA C 13 57.363 0.007 . 1 . . . . 144 PHE CA . 25533 1 1307 . 1 1 144 144 PHE CB C 13 39.774 0.046 . 1 . . . . 144 PHE CB . 25533 1 1308 . 1 1 144 144 PHE N N 15 116.685 0.039 . 1 . . . . 144 PHE N . 25533 1 1309 . 1 1 145 145 GLU H H 1 9.810 0.002 . 1 . . . . 145 GLU H . 25533 1 1310 . 1 1 145 145 GLU HA H 1 4.613 0.005 . 1 . . . . 145 GLU HA . 25533 1 1311 . 1 1 145 145 GLU HB2 H 1 1.987 0.011 . 2 . . . . 145 GLU HB2 . 25533 1 1312 . 1 1 145 145 GLU HB3 H 1 1.841 0.011 . 2 . . . . 145 GLU HB3 . 25533 1 1313 . 1 1 145 145 GLU HG2 H 1 2.114 0.01 . 2 . . . . 145 GLU HG2 . 25533 1 1314 . 1 1 145 145 GLU HG3 H 1 2.072 0.01 . 2 . . . . 145 GLU HG3 . 25533 1 1315 . 1 1 145 145 GLU C C 13 174.476 0.1 . 1 . . . . 145 GLU C . 25533 1 1316 . 1 1 145 145 GLU CA C 13 54.313 0.053 . 1 . . . . 145 GLU CA . 25533 1 1317 . 1 1 145 145 GLU CB C 13 33.821 0.005 . 1 . . . . 145 GLU CB . 25533 1 1318 . 1 1 145 145 GLU CG C 13 36.043 0.013 . 1 . . . . 145 GLU CG . 25533 1 1319 . 1 1 145 145 GLU N N 15 119.555 0.031 . 1 . . . . 145 GLU N . 25533 1 1320 . 1 1 146 146 CYS H H 1 8.731 0.003 . 1 . . . . 146 CYS H . 25533 1 1321 . 1 1 146 146 CYS HA H 1 5.615 0.003 . 1 . . . . 146 CYS HA . 25533 1 1322 . 1 1 146 146 CYS HB2 H 1 2.830 0.003 . 2 . . . . 146 CYS HB2 . 25533 1 1323 . 1 1 146 146 CYS HB3 H 1 2.614 0.005 . 2 . . . . 146 CYS HB3 . 25533 1 1324 . 1 1 146 146 CYS C C 13 174.477 0.1 . 1 . . . . 146 CYS C . 25533 1 1325 . 1 1 146 146 CYS CA C 13 53.585 0.051 . 1 . . . . 146 CYS CA . 25533 1 1326 . 1 1 146 146 CYS CB C 13 44.703 0.012 . 1 . . . . 146 CYS CB . 25533 1 1327 . 1 1 146 146 CYS N N 15 116.344 0.029 . 1 . . . . 146 CYS N . 25533 1 1328 . 1 1 147 147 GLN H H 1 9.530 0.007 . 1 . . . . 147 GLN H . 25533 1 1329 . 1 1 147 147 GLN HA H 1 4.673 0.012 . 1 . . . . 147 GLN HA . 25533 1 1330 . 1 1 147 147 GLN HB2 H 1 2.108 0.006 . 2 . . . . 147 GLN HB2 . 25533 1 1331 . 1 1 147 147 GLN HB3 H 1 2.023 0.010 . 2 . . . . 147 GLN HB3 . 25533 1 1332 . 1 1 147 147 GLN HE21 H 1 7.564 0.003 . 1 . . . . 147 GLN HE21 . 25533 1 1333 . 1 1 147 147 GLN HE22 H 1 6.774 0.004 . 1 . . . . 147 GLN HE22 . 25533 1 1334 . 1 1 147 147 GLN HG2 H 1 2.266 0.004 . 2 . . . . 147 GLN HG2 . 25533 1 1335 . 1 1 147 147 GLN HG3 H 1 2.338 0.003 . 2 . . . . 147 GLN HG3 . 25533 1 1336 . 1 1 147 147 GLN C C 13 176.032 0.1 . 1 . . . . 147 GLN C . 25533 1 1337 . 1 1 147 147 GLN CA C 13 54.664 0.1 . 1 . . . . 147 GLN CA . 25533 1 1338 . 1 1 147 147 GLN CB C 13 28.890 0.018 . 1 . . . . 147 GLN CB . 25533 1 1339 . 1 1 147 147 GLN CG C 13 33.740 0.1 . 1 . . . . 147 GLN CG . 25533 1 1340 . 1 1 147 147 GLN N N 15 124.502 0.069 . 1 . . . . 147 GLN N . 25533 1 1341 . 1 1 147 147 GLN NE2 N 15 110.709 0.049 . 1 . . . . 147 GLN NE2 . 25533 1 1342 . 1 1 148 148 CYS H H 1 8.931 0.003 . 1 . . . . 148 CYS H . 25533 1 1343 . 1 1 148 148 CYS HA H 1 4.748 0.01 . 1 . . . . 148 CYS HA . 25533 1 1344 . 1 1 148 148 CYS HB2 H 1 2.707 0.01 . 2 . . . . 148 CYS HB2 . 25533 1 1345 . 1 1 148 148 CYS HB3 H 1 3.259 0.01 . 2 . . . . 148 CYS HB3 . 25533 1 1346 . 1 1 148 148 CYS C C 13 175.504 0.1 . 1 . . . . 148 CYS C . 25533 1 1347 . 1 1 148 148 CYS CA C 13 54.184 0.1 . 1 . . . . 148 CYS CA . 25533 1 1348 . 1 1 148 148 CYS CB C 13 38.335 0.1 . 1 . . . . 148 CYS CB . 25533 1 1349 . 1 1 148 148 CYS N N 15 124.812 0.065 . 1 . . . . 148 CYS N . 25533 1 1350 . 1 1 149 149 LEU H H 1 8.754 0.002 . 1 . . . . 149 LEU H . 25533 1 1351 . 1 1 149 149 LEU HA H 1 4.458 0.004 . 1 . . . . 149 LEU HA . 25533 1 1352 . 1 1 149 149 LEU HB2 H 1 1.756 0.007 . 2 . . . . 149 LEU HB2 . 25533 1 1353 . 1 1 149 149 LEU HB3 H 1 1.798 0.016 . 2 . . . . 149 LEU HB3 . 25533 1 1354 . 1 1 149 149 LEU HD11 H 1 1.022 0.004 . 2 . . . . 149 LEU HD11 . 25533 1 1355 . 1 1 149 149 LEU HD12 H 1 1.022 0.004 . 2 . . . . 149 LEU HD12 . 25533 1 1356 . 1 1 149 149 LEU HD13 H 1 1.022 0.004 . 2 . . . . 149 LEU HD13 . 25533 1 1357 . 1 1 149 149 LEU HD21 H 1 0.968 0.01 . 2 . . . . 149 LEU HD21 . 25533 1 1358 . 1 1 149 149 LEU HD22 H 1 0.968 0.01 . 2 . . . . 149 LEU HD22 . 25533 1 1359 . 1 1 149 149 LEU HD23 H 1 0.968 0.01 . 2 . . . . 149 LEU HD23 . 25533 1 1360 . 1 1 149 149 LEU HG H 1 1.751 0.01 . 1 . . . . 149 LEU HG . 25533 1 1361 . 1 1 149 149 LEU C C 13 176.475 0.1 . 1 . . . . 149 LEU C . 25533 1 1362 . 1 1 149 149 LEU CA C 13 54.856 0.001 . 1 . . . . 149 LEU CA . 25533 1 1363 . 1 1 149 149 LEU CB C 13 43.008 0.065 . 1 . . . . 149 LEU CB . 25533 1 1364 . 1 1 149 149 LEU CD1 C 13 25.825 0.013 . 2 . . . . 149 LEU CD1 . 25533 1 1365 . 1 1 149 149 LEU CD2 C 13 23.027 0.1 . 2 . . . . 149 LEU CD2 . 25533 1 1366 . 1 1 149 149 LEU CG C 13 27.906 0.1 . 1 . . . . 149 LEU CG . 25533 1 1367 . 1 1 149 149 LEU N N 15 122.412 0.030 . 1 . . . . 149 LEU N . 25533 1 1368 . 1 1 150 150 GLN H H 1 8.312 0.006 . 1 . . . . 150 GLN H . 25533 1 1369 . 1 1 150 150 GLN HA H 1 3.936 0.013 . 1 . . . . 150 GLN HA . 25533 1 1370 . 1 1 150 150 GLN HB2 H 1 1.998 0.003 . 2 . . . . 150 GLN HB2 . 25533 1 1371 . 1 1 150 150 GLN HB3 H 1 2.068 0.004 . 2 . . . . 150 GLN HB3 . 25533 1 1372 . 1 1 150 150 GLN HE21 H 1 6.862 0.005 . 1 . . . . 150 GLN HE21 . 25533 1 1373 . 1 1 150 150 GLN HE22 H 1 7.556 0.01 . 1 . . . . 150 GLN HE22 . 25533 1 1374 . 1 1 150 150 GLN HG2 H 1 2.357 0.01 . 1 . . . . 150 GLN HG2 . 25533 1 1375 . 1 1 150 150 GLN HG3 H 1 2.357 0.01 . 1 . . . . 150 GLN HG3 . 25533 1 1376 . 1 1 150 150 GLN C C 13 176.186 0.1 . 1 . . . . 150 GLN C . 25533 1 1377 . 1 1 150 150 GLN CA C 13 57.869 0.009 . 1 . . . . 150 GLN CA . 25533 1 1378 . 1 1 150 150 GLN CB C 13 28.394 0.022 . 1 . . . . 150 GLN CB . 25533 1 1379 . 1 1 150 150 GLN CG C 13 33.844 0.1 . 1 . . . . 150 GLN CG . 25533 1 1380 . 1 1 150 150 GLN N N 15 117.037 0.024 . 1 . . . . 150 GLN N . 25533 1 1381 . 1 1 150 150 GLN NE2 N 15 111.809 0.051 . 1 . . . . 150 GLN NE2 . 25533 1 1382 . 1 1 151 151 GLY H H 1 8.495 0.002 . 1 . . . . 151 GLY H . 25533 1 1383 . 1 1 151 151 GLY HA2 H 1 3.357 0.008 . 2 . . . . 151 GLY HA2 . 25533 1 1384 . 1 1 151 151 GLY HA3 H 1 3.941 0.019 . 2 . . . . 151 GLY HA3 . 25533 1 1385 . 1 1 151 151 GLY C C 13 173.578 0.1 . 1 . . . . 151 GLY C . 25533 1 1386 . 1 1 151 151 GLY CA C 13 44.583 0.059 . 1 . . . . 151 GLY CA . 25533 1 1387 . 1 1 151 151 GLY N N 15 110.689 0.019 . 1 . . . . 151 GLY N . 25533 1 1388 . 1 1 152 152 TYR H H 1 7.649 0.009 . 1 . . . . 152 TYR H . 25533 1 1389 . 1 1 152 152 TYR HA H 1 5.025 0.001 . 1 . . . . 152 TYR HA . 25533 1 1390 . 1 1 152 152 TYR HB2 H 1 2.728 0.004 . 2 . . . . 152 TYR HB2 . 25533 1 1391 . 1 1 152 152 TYR HB3 H 1 3.048 0.01 . 2 . . . . 152 TYR HB3 . 25533 1 1392 . 1 1 152 152 TYR HD1 H 1 6.310 0.01 . 1 . . . . 152 TYR HD1 . 25533 1 1393 . 1 1 152 152 TYR HD2 H 1 6.310 0.01 . 1 . . . . 152 TYR HD2 . 25533 1 1394 . 1 1 152 152 TYR HE1 H 1 6.871 0.01 . 1 . . . . 152 TYR HE1 . 25533 1 1395 . 1 1 152 152 TYR HE2 H 1 6.871 0.01 . 1 . . . . 152 TYR HE2 . 25533 1 1396 . 1 1 152 152 TYR C C 13 175.158 0.1 . 1 . . . . 152 TYR C . 25533 1 1397 . 1 1 152 152 TYR CA C 13 57.983 0.1 . 1 . . . . 152 TYR CA . 25533 1 1398 . 1 1 152 152 TYR CB C 13 40.209 0.045 . 1 . . . . 152 TYR CB . 25533 1 1399 . 1 1 152 152 TYR N N 15 119.013 0.061 . 1 . . . . 152 TYR N . 25533 1 1400 . 1 1 153 153 THR H H 1 9.372 0.007 . 1 . . . . 153 THR H . 25533 1 1401 . 1 1 153 153 THR HA H 1 4.743 0.014 . 1 . . . . 153 THR HA . 25533 1 1402 . 1 1 153 153 THR HB H 1 4.185 0.005 . 1 . . . . 153 THR HB . 25533 1 1403 . 1 1 153 153 THR HG21 H 1 1.091 0.003 . 1 . . . . 153 THR HG21 . 25533 1 1404 . 1 1 153 153 THR HG22 H 1 1.091 0.003 . 1 . . . . 153 THR HG22 . 25533 1 1405 . 1 1 153 153 THR HG23 H 1 1.091 0.003 . 1 . . . . 153 THR HG23 . 25533 1 1406 . 1 1 153 153 THR C C 13 173.577 0.1 . 1 . . . . 153 THR C . 25533 1 1407 . 1 1 153 153 THR CA C 13 60.419 0.1 . 1 . . . . 153 THR CA . 25533 1 1408 . 1 1 153 153 THR CB C 13 71.723 0.040 . 1 . . . . 153 THR CB . 25533 1 1409 . 1 1 153 153 THR CG2 C 13 20.909 0.027 . 1 . . . . 153 THR CG2 . 25533 1 1410 . 1 1 153 153 THR N N 15 113.891 0.026 . 1 . . . . 153 THR N . 25533 1 1411 . 1 1 154 154 GLY H H 1 7.977 0.004 . 1 . . . . 154 GLY H . 25533 1 1412 . 1 1 154 154 GLY HA2 H 1 3.963 0.007 . 2 . . . . 154 GLY HA2 . 25533 1 1413 . 1 1 154 154 GLY HA3 H 1 4.572 0.01 . 2 . . . . 154 GLY HA3 . 25533 1 1414 . 1 1 154 154 GLY C C 13 174.418 0.1 . 1 . . . . 154 GLY C . 25533 1 1415 . 1 1 154 154 GLY CA C 13 43.854 0.057 . 1 . . . . 154 GLY CA . 25533 1 1416 . 1 1 154 154 GLY N N 15 106.248 0.067 . 1 . . . . 154 GLY N . 25533 1 1417 . 1 1 155 155 PRO HA H 1 4.361 0.005 . 1 . . . . 155 PRO HA . 25533 1 1418 . 1 1 155 155 PRO HB2 H 1 2.326 0.005 . 2 . . . . 155 PRO HB2 . 25533 1 1419 . 1 1 155 155 PRO HB3 H 1 1.924 0.01 . 2 . . . . 155 PRO HB3 . 25533 1 1420 . 1 1 155 155 PRO HD2 H 1 3.628 0.01 . 2 . . . . 155 PRO HD2 . 25533 1 1421 . 1 1 155 155 PRO HD3 H 1 4.177 0.01 . 2 . . . . 155 PRO HD3 . 25533 1 1422 . 1 1 155 155 PRO HG2 H 1 2.097 0.01 . 2 . . . . 155 PRO HG2 . 25533 1 1423 . 1 1 155 155 PRO HG3 H 1 2.052 0.01 . 2 . . . . 155 PRO HG3 . 25533 1 1424 . 1 1 155 155 PRO C C 13 178.179 0.1 . 1 . . . . 155 PRO C . 25533 1 1425 . 1 1 155 155 PRO CA C 13 65.000 0.019 . 1 . . . . 155 PRO CA . 25533 1 1426 . 1 1 155 155 PRO CB C 13 31.915 0.010 . 1 . . . . 155 PRO CB . 25533 1 1427 . 1 1 155 155 PRO CD C 13 49.915 0.024 . 1 . . . . 155 PRO CD . 25533 1 1428 . 1 1 155 155 PRO CG C 13 27.581 0.1 . 1 . . . . 155 PRO CG . 25533 1 1429 . 1 1 156 156 ARG H H 1 9.401 0.004 . 1 . . . . 156 ARG H . 25533 1 1430 . 1 1 156 156 ARG HA H 1 5.075 0.005 . 1 . . . . 156 ARG HA . 25533 1 1431 . 1 1 156 156 ARG HB2 H 1 1.556 0.01 . 2 . . . . 156 ARG HB2 . 25533 1 1432 . 1 1 156 156 ARG HB3 H 1 2.496 0.007 . 2 . . . . 156 ARG HB3 . 25533 1 1433 . 1 1 156 156 ARG HD2 H 1 3.289 0.002 . 2 . . . . 156 ARG HD2 . 25533 1 1434 . 1 1 156 156 ARG HD3 H 1 3.239 0.008 . 2 . . . . 156 ARG HD3 . 25533 1 1435 . 1 1 156 156 ARG HE H 1 7.302 0.002 . 1 . . . . 156 ARG HE . 25533 1 1436 . 1 1 156 156 ARG HG2 H 1 1.655 0.005 . 2 . . . . 156 ARG HG2 . 25533 1 1437 . 1 1 156 156 ARG HG3 H 1 1.539 0.019 . 2 . . . . 156 ARG HG3 . 25533 1 1438 . 1 1 156 156 ARG C C 13 175.688 0.1 . 1 . . . . 156 ARG C . 25533 1 1439 . 1 1 156 156 ARG CA C 13 54.274 0.010 . 1 . . . . 156 ARG CA . 25533 1 1440 . 1 1 156 156 ARG CB C 13 29.578 0.071 . 1 . . . . 156 ARG CB . 25533 1 1441 . 1 1 156 156 ARG CD C 13 43.187 0.017 . 1 . . . . 156 ARG CD . 25533 1 1442 . 1 1 156 156 ARG CG C 13 28.389 0.092 . 1 . . . . 156 ARG CG . 25533 1 1443 . 1 1 156 156 ARG N N 15 117.180 0.156 . 1 . . . . 156 ARG N . 25533 1 1444 . 1 1 157 157 CYS H H 1 7.876 0.002 . 1 . . . . 157 CYS H . 25533 1 1445 . 1 1 157 157 CYS HA H 1 4.137 0.01 . 1 . . . . 157 CYS HA . 25533 1 1446 . 1 1 157 157 CYS HB2 H 1 3.083 0.01 . 2 . . . . 157 CYS HB2 . 25533 1 1447 . 1 1 157 157 CYS HB3 H 1 3.525 0.01 . 2 . . . . 157 CYS HB3 . 25533 1 1448 . 1 1 157 157 CYS C C 13 175.022 0.1 . 1 . . . . 157 CYS C . 25533 1 1449 . 1 1 157 157 CYS CA C 13 54.761 0.001 . 1 . . . . 157 CYS CA . 25533 1 1450 . 1 1 157 157 CYS CB C 13 36.238 0.1 . 1 . . . . 157 CYS CB . 25533 1 1451 . 1 1 157 157 CYS N N 15 111.994 0.041 . 1 . . . . 157 CYS N . 25533 1 1452 . 1 1 158 158 GLU H H 1 10.829 0.011 . 1 . . . . 158 GLU H . 25533 1 1453 . 1 1 158 158 GLU HA H 1 4.202 0.010 . 1 . . . . 158 GLU HA . 25533 1 1454 . 1 1 158 158 GLU HB2 H 1 2.151 0.006 . 2 . . . . 158 GLU HB2 . 25533 1 1455 . 1 1 158 158 GLU HB3 H 1 1.786 0.010 . 2 . . . . 158 GLU HB3 . 25533 1 1456 . 1 1 158 158 GLU HG2 H 1 2.328 0.01 . 1 . . . . 158 GLU HG2 . 25533 1 1457 . 1 1 158 158 GLU HG3 H 1 2.328 0.01 . 1 . . . . 158 GLU HG3 . 25533 1 1458 . 1 1 158 158 GLU C C 13 175.900 0.1 . 1 . . . . 158 GLU C . 25533 1 1459 . 1 1 158 158 GLU CA C 13 58.179 0.013 . 1 . . . . 158 GLU CA . 25533 1 1460 . 1 1 158 158 GLU CB C 13 29.996 0.017 . 1 . . . . 158 GLU CB . 25533 1 1461 . 1 1 158 158 GLU CG C 13 36.425 0.1 . 1 . . . . 158 GLU CG . 25533 1 1462 . 1 1 158 158 GLU N N 15 121.504 0.028 . 1 . . . . 158 GLU N . 25533 1 1463 . 1 1 159 159 ILE H H 1 8.672 0.004 . 1 . . . . 159 ILE H . 25533 1 1464 . 1 1 159 159 ILE HA H 1 4.110 0.004 . 1 . . . . 159 ILE HA . 25533 1 1465 . 1 1 159 159 ILE HB H 1 1.823 0.010 . 1 . . . . 159 ILE HB . 25533 1 1466 . 1 1 159 159 ILE HD11 H 1 0.815 0.005 . 1 . . . . 159 ILE HD11 . 25533 1 1467 . 1 1 159 159 ILE HD12 H 1 0.815 0.005 . 1 . . . . 159 ILE HD12 . 25533 1 1468 . 1 1 159 159 ILE HD13 H 1 0.815 0.005 . 1 . . . . 159 ILE HD13 . 25533 1 1469 . 1 1 159 159 ILE HG12 H 1 1.432 0.01 . 2 . . . . 159 ILE HG12 . 25533 1 1470 . 1 1 159 159 ILE HG13 H 1 1.083 0.002 . 2 . . . . 159 ILE HG13 . 25533 1 1471 . 1 1 159 159 ILE HG21 H 1 0.839 0.015 . 1 . . . . 159 ILE HG21 . 25533 1 1472 . 1 1 159 159 ILE HG22 H 1 0.839 0.015 . 1 . . . . 159 ILE HG22 . 25533 1 1473 . 1 1 159 159 ILE HG23 H 1 0.839 0.015 . 1 . . . . 159 ILE HG23 . 25533 1 1474 . 1 1 159 159 ILE C C 13 180.744 0.1 . 1 . . . . 159 ILE C . 25533 1 1475 . 1 1 159 159 ILE CA C 13 63.759 0.007 . 1 . . . . 159 ILE CA . 25533 1 1476 . 1 1 159 159 ILE CB C 13 38.011 0.017 . 1 . . . . 159 ILE CB . 25533 1 1477 . 1 1 159 159 ILE CD1 C 13 12.633 0.005 . 1 . . . . 159 ILE CD1 . 25533 1 1478 . 1 1 159 159 ILE CG2 C 13 17.706 0.060 . 1 . . . . 159 ILE CG2 . 25533 1 1479 . 1 1 159 159 ILE N N 15 128.274 0.055 . 1 . . . . 159 ILE N . 25533 1 stop_ save_