data_27482 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide backbone chemical shift assignments for SET nuclear proto-oncogene. ; _BMRB_accession_number 27482 _BMRB_flat_file_name bmr27482.str _Entry_type original _Submission_date 2018-05-15 _Accession_date 2018-05-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift backbone assignments for NdCd-SET' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Parnham Stuart R. . 2 'De Palma' Ryan M . 3 Ogretmen Besim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 91 "13C chemical shifts" 106 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-07 update BMRB 'update entry citation' 2019-04-12 original author 'original release' stop_ _Original_release_date 2018-05-15 save_ ############################# # Citation for this entry # ############################# save_SET-FTY720 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The NMR-based characterization of the FTY720-SET complex reveals an alternative mechanism for the attenuation of the inhibitory SET-PP2A interaction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30917007 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Palma' Ryan M. . 2 Parnham Stuart R. . 3 Li Yitong . . 4 Oaks Joshua J. . 5 Peterson Yuri K. . 6 Szulc Zdzislaw M. . 7 Roth Braden M. . 8 Xing Yongna . . 9 Ogretmen Besim . . stop_ _Journal_abbreviation 'FASEB J.' _Journal_name_full 'FASEB journal' _Journal_volume 33 _Journal_issue 6 _Journal_ISSN 1530-6860 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7647 _Page_last 7666 _Year 2019 _Details . loop_ _Keyword PP2A 'SET-FTY720 complex' 'mechanism activation of PP2A' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NdCd-SET homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NdCd-SET, subunit 1' $NdCd-SET_nuclear_proto-oncogene 'NdCd-SET, subunit 2' $NdCd-SET_nuclear_proto-oncogene stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NdCd-SET_nuclear_proto-oncogene _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NdCd-SET_nuclear_proto-oncogene _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Inhibitor of protein phosphatase 2A' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; GSMTSEKEQQEAIEHIDEVQ NEIDRLNEQASEEILKVEQK YNKLRQPFFQKRSELIAKIP NFWVTTFVNHPQVSALLGEE DEEALHYLTRVEVTEFEDIK SGYRIDFYFDENPYFENKVL SKEFHLNESGDPSSKSTEIK WKSGKDLTKRSSQTQNKASR KRQHEEPESFFTWFTDHSDA GADELGEVIKDDIWPNPLQY YLVPD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 MET 4 23 THR 5 24 SER 6 25 GLU 7 26 LYS 8 27 GLU 9 28 GLN 10 29 GLN 11 30 GLU 12 31 ALA 13 32 ILE 14 33 GLU 15 34 HIS 16 35 ILE 17 36 ASP 18 37 GLU 19 38 VAL 20 39 GLN 21 40 ASN 22 41 GLU 23 42 ILE 24 43 ASP 25 44 ARG 26 45 LEU 27 46 ASN 28 47 GLU 29 48 GLN 30 49 ALA 31 50 SER 32 51 GLU 33 52 GLU 34 53 ILE 35 54 LEU 36 55 LYS 37 56 VAL 38 57 GLU 39 58 GLN 40 59 LYS 41 60 TYR 42 61 ASN 43 62 LYS 44 63 LEU 45 64 ARG 46 65 GLN 47 66 PRO 48 67 PHE 49 68 PHE 50 69 GLN 51 70 LYS 52 71 ARG 53 72 SER 54 73 GLU 55 74 LEU 56 75 ILE 57 76 ALA 58 77 LYS 59 78 ILE 60 79 PRO 61 80 ASN 62 81 PHE 63 82 TRP 64 83 VAL 65 84 THR 66 85 THR 67 86 PHE 68 87 VAL 69 88 ASN 70 89 HIS 71 90 PRO 72 91 GLN 73 92 VAL 74 93 SER 75 94 ALA 76 95 LEU 77 96 LEU 78 97 GLY 79 98 GLU 80 99 GLU 81 100 ASP 82 101 GLU 83 102 GLU 84 103 ALA 85 104 LEU 86 105 HIS 87 106 TYR 88 107 LEU 89 108 THR 90 109 ARG 91 110 VAL 92 111 GLU 93 112 VAL 94 113 THR 95 114 GLU 96 115 PHE 97 116 GLU 98 117 ASP 99 118 ILE 100 119 LYS 101 120 SER 102 121 GLY 103 122 TYR 104 123 ARG 105 124 ILE 106 125 ASP 107 126 PHE 108 127 TYR 109 128 PHE 110 129 ASP 111 130 GLU 112 131 ASN 113 132 PRO 114 133 TYR 115 134 PHE 116 135 GLU 117 136 ASN 118 137 LYS 119 138 VAL 120 139 LEU 121 140 SER 122 141 LYS 123 142 GLU 124 143 PHE 125 144 HIS 126 145 LEU 127 146 ASN 128 147 GLU 129 148 SER 130 149 GLY 131 150 ASP 132 151 PRO 133 152 SER 134 153 SER 135 154 LYS 136 155 SER 137 156 THR 138 157 GLU 139 158 ILE 140 159 LYS 141 160 TRP 142 161 LYS 143 162 SER 144 163 GLY 145 164 LYS 146 165 ASP 147 166 LEU 148 167 THR 149 168 LYS 150 169 ARG 151 170 SER 152 171 SER 153 172 GLN 154 173 THR 155 174 GLN 156 175 ASN 157 176 LYS 158 177 ALA 159 178 SER 160 179 ARG 161 180 LYS 162 181 ARG 163 182 GLN 164 183 HIS 165 184 GLU 166 185 GLU 167 186 PRO 168 187 GLU 169 188 SER 170 189 PHE 171 190 PHE 172 191 THR 173 192 TRP 174 193 PHE 175 194 THR 176 195 ASP 177 196 HIS 178 197 SER 179 198 ASP 180 199 ALA 181 200 GLY 182 201 ALA 183 202 ASP 184 203 GLU 185 204 LEU 186 205 GLY 187 206 GLU 188 207 VAL 189 208 ILE 190 209 LYS 191 210 ASP 192 211 ASP 193 212 ILE 194 213 TRP 195 214 PRO 196 215 ASN 197 216 PRO 198 217 LEU 199 218 GLN 200 219 TYR 201 220 TYR 202 221 LEU 203 222 VAL 204 223 PRO 205 224 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NdCd-SET_nuclear_proto-oncogene Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NdCd-SET_nuclear_proto-oncogene 'recombinant technology' . Escherichia coli . pET-28b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NdCd-SET_nuclear_proto-oncogene 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $NdCd-SET_nuclear_proto-oncogene 0.5 mM '[U-100% 13C; U-100% 15N]' $NdCd-SET_nuclear_proto-oncogene 1.0 mM '[U-100% 15N]' phosphate 20 mM 'natural abundance' naCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr _Saveframe_category software _Name CcpNmr _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 8.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NdCd-SET, subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 23 4 THR CA C 63.553 0.003 1 2 23 4 THR N N 120.044 0.068 1 3 24 5 SER H H 8.431 0.005 1 4 24 5 SER CA C 57.648 0.000 1 5 24 5 SER N N 118.343 0.046 1 6 28 9 GLN H H 7.901 0.003 1 7 28 9 GLN N N 115.480 0.039 1 8 29 10 GLN H H 8.612 0.005 1 9 29 10 GLN N N 118.799 0.015 1 10 30 11 GLU H H 9.029 0.008 1 11 30 11 GLU N N 119.102 0.020 1 12 34 15 HIS CA C 56.601 0.000 1 13 35 16 ILE H H 7.756 0.008 1 14 35 16 ILE CA C 55.210 0.000 1 15 35 16 ILE N N 121.672 0.056 1 16 36 17 ASP H H 8.612 0.005 1 17 36 17 ASP CA C 52.765 0.000 1 18 36 17 ASP N N 119.056 0.051 1 19 37 18 GLU H H 8.097 0.004 1 20 37 18 GLU CA C 56.506 0.000 1 21 37 18 GLU N N 122.837 0.034 1 22 38 19 VAL H H 7.878 0.004 1 23 38 19 VAL CA C 63.036 0.000 1 24 38 19 VAL N N 120.145 0.064 1 25 39 20 GLN H H 8.861 0.004 1 26 39 20 GLN CA C 55.599 0.000 1 27 39 20 GLN N N 120.822 0.041 1 28 40 21 ASN H H 8.200 0.002 1 29 40 21 ASN CA C 53.637 0.000 1 30 40 21 ASN N N 118.930 0.021 1 31 41 22 GLU H H 8.342 0.002 1 32 41 22 GLU CA C 51.254 0.000 1 33 41 22 GLU N N 123.235 0.015 1 34 42 23 ILE H H 8.462 0.005 1 35 42 23 ILE CA C 55.961 0.000 1 36 42 23 ILE N N 125.885 0.013 1 37 48 29 GLN CA C 53.649 0.000 1 38 48 29 GLN CB C 30.517 0.000 1 39 49 30 ALA H H 7.874 0.005 1 40 49 30 ALA CA C 51.303 0.000 1 41 49 30 ALA CB C 17.712 0.000 1 42 49 30 ALA N N 131.560 0.042 1 43 56 37 VAL H H 8.499 0.006 1 44 56 37 VAL CA C 57.893 0.000 1 45 56 37 VAL N N 117.335 0.018 1 46 57 38 GLU H H 8.694 0.011 1 47 57 38 GLU CA C 62.789 0.000 1 48 57 38 GLU N N 119.243 0.071 1 49 58 39 GLN H H 7.216 0.005 1 50 58 39 GLN CA C 58.559 0.000 1 51 58 39 GLN N N 116.404 0.038 1 52 59 40 LYS H H 8.846 0.005 1 53 59 40 LYS CA C 53.023 0.000 1 54 59 40 LYS N N 126.778 0.064 1 55 60 41 TYR H H 8.547 0.004 1 56 60 41 TYR CA C 59.737 0.000 1 57 60 41 TYR N N 129.719 0.063 1 58 61 42 ASN H H 9.192 0.002 1 59 61 42 ASN CA C 50.205 0.000 1 60 61 42 ASN N N 131.529 0.062 1 61 62 43 LYS H H 7.448 0.006 1 62 62 43 LYS CA C 54.741 0.000 1 63 62 43 LYS N N 124.476 0.050 1 64 63 44 LEU H H 8.969 0.005 1 65 63 44 LEU CA C 53.884 0.000 1 66 63 44 LEU N N 124.966 0.043 1 67 68 49 PHE H H 6.864 0.007 1 68 68 49 PHE CA C 52.619 0.000 1 69 68 49 PHE N N 122.861 0.035 1 70 69 50 GLN H H 7.631 0.008 1 71 69 50 GLN CA C 54.313 0.000 1 72 69 50 GLN N N 127.988 0.075 1 73 70 51 LYS H H 8.784 0.005 1 74 70 51 LYS CA C 52.827 0.000 1 75 70 51 LYS N N 125.532 0.063 1 76 71 52 ARG H H 8.488 0.001 1 77 71 52 ARG CA C 51.163 0.000 1 78 71 52 ARG N N 124.392 0.029 1 79 72 53 SER H H 8.932 0.005 1 80 72 53 SER CA C 57.445 0.000 1 81 72 53 SER N N 125.267 0.056 1 82 73 54 GLU H H 8.748 0.006 1 83 73 54 GLU CA C 50.623 0.000 1 84 73 54 GLU N N 124.969 0.114 1 85 74 55 LEU H H 9.508 0.004 1 86 74 55 LEU CA C 52.725 0.000 1 87 74 55 LEU N N 121.020 0.024 1 88 75 56 ILE H H 9.029 0.005 1 89 75 56 ILE CA C 54.957 0.000 1 90 75 56 ILE N N 123.279 0.037 1 91 76 57 ALA H H 8.805 0.003 1 92 76 57 ALA CA C 53.962 0.000 1 93 76 57 ALA N N 120.709 0.031 1 94 77 58 LYS H H 8.905 0.006 1 95 77 58 LYS CA C 50.639 0.000 1 96 77 58 LYS N N 123.473 0.046 1 97 78 59 ILE H H 8.437 0.012 1 98 78 59 ILE CA C 55.001 0.000 1 99 78 59 ILE N N 121.049 0.067 1 100 79 60 PRO CA C 61.239 0.000 1 101 80 61 ASN H H 7.782 0.009 1 102 80 61 ASN CA C 54.878 0.000 1 103 80 61 ASN N N 120.834 0.178 1 104 81 62 PHE H H 7.854 0.011 1 105 81 62 PHE CA C 56.569 0.000 1 106 81 62 PHE N N 118.027 0.017 1 107 82 63 TRP H H 7.849 0.012 1 108 82 63 TRP CA C 56.194 0.000 1 109 82 63 TRP N N 120.405 0.052 1 110 83 64 VAL H H 6.963 0.003 1 111 83 64 VAL CA C 55.882 0.000 1 112 83 64 VAL N N 116.053 0.039 1 113 84 65 THR H H 8.471 0.006 1 114 84 65 THR CA C 62.380 0.000 1 115 84 65 THR N N 115.930 0.027 1 116 85 66 THR H H 8.282 0.002 1 117 85 66 THR CA C 62.359 0.000 1 118 85 66 THR N N 116.045 0.015 1 119 86 67 PHE H H 9.133 0.009 1 120 86 67 PHE CA C 54.799 0.000 1 121 86 67 PHE N N 117.071 0.058 1 122 91 72 GLN CA C 50.587 0.000 1 123 92 73 VAL H H 8.127 0.001 1 124 92 73 VAL CA C 61.420 0.000 1 125 92 73 VAL N N 120.956 0.085 1 126 93 74 SER H H 8.503 0.001 1 127 93 74 SER CA C 54.511 0.000 1 128 93 74 SER N N 121.068 0.002 1 129 94 75 ALA H H 7.907 0.015 1 130 94 75 ALA CA C 53.511 0.000 1 131 94 75 ALA N N 127.950 0.134 1 132 95 76 LEU H H 8.311 0.015 1 133 95 76 LEU CA C 51.380 0.000 1 134 95 76 LEU N N 122.884 0.025 1 135 96 77 LEU H H 7.089 0.005 1 136 96 77 LEU CA C 51.413 0.000 1 137 96 77 LEU N N 117.437 0.008 1 138 97 78 GLY H H 9.738 0.013 1 139 97 78 GLY CA C 40.827 0.000 1 140 97 78 GLY N N 114.045 0.034 1 141 98 79 GLU H H 8.889 0.010 1 142 98 79 GLU CA C 57.247 0.000 1 143 98 79 GLU N N 121.837 0.055 1 144 99 80 GLU H H 7.273 0.006 1 145 99 80 GLU CA C 57.244 0.000 1 146 99 80 GLU N N 121.721 0.043 1 147 100 81 ASP H H 7.309 0.007 1 148 100 81 ASP CA C 50.964 0.000 1 149 100 81 ASP N N 121.748 0.032 1 150 107 88 LEU H H 7.420 0.005 1 151 107 88 LEU CA C 51.640 0.000 1 152 107 88 LEU N N 122.382 0.039 1 153 108 89 THR H H 9.214 0.011 1 154 108 89 THR CA C 59.404 0.000 1 155 108 89 THR N N 121.611 0.023 1 156 109 90 ARG H H 7.223 0.005 1 157 109 90 ARG CA C 53.411 0.000 1 158 109 90 ARG N N 121.216 0.045 1 159 110 91 VAL H H 8.058 0.000 1 160 110 91 VAL CA C 59.213 0.000 1 161 110 91 VAL N N 122.277 0.000 1 162 111 92 GLU H H 8.334 0.005 1 163 111 92 GLU CA C 53.109 0.000 1 164 111 92 GLU N N 125.969 0.075 1 165 112 93 VAL H H 8.063 0.004 1 166 112 93 VAL CA C 59.228 0.000 1 167 112 93 VAL N N 122.249 0.027 1 168 113 94 THR H H 8.228 0.008 1 169 113 94 THR CA C 59.332 0.000 1 170 113 94 THR N N 118.145 0.031 1 171 117 98 ASP H H 8.578 0.010 1 172 117 98 ASP CA C 52.565 0.000 1 173 117 98 ASP N N 113.438 0.040 1 174 118 99 ILE H H 7.929 0.010 1 175 118 99 ILE CA C 61.581 0.009 1 176 118 99 ILE N N 118.431 0.066 1 177 119 100 LYS H H 7.742 0.011 1 178 119 100 LYS CA C 56.151 0.000 1 179 119 100 LYS N N 120.503 0.214 1 180 120 101 SER H H 8.061 0.017 1 181 120 101 SER CA C 54.437 0.000 1 182 120 101 SER N N 120.706 0.045 1 183 121 102 GLY H H 8.771 0.008 1 184 121 102 GLY CA C 45.044 0.000 1 185 121 102 GLY N N 107.545 0.028 1 186 122 103 TYR H H 7.491 0.008 1 187 122 103 TYR CA C 56.155 0.000 1 188 122 103 TYR N N 118.891 0.010 1 189 133 114 TYR CA C 59.968 0.000 1 190 134 115 PHE H H 8.647 0.001 1 191 134 115 PHE CA C 54.860 0.000 1 192 134 115 PHE N N 116.491 0.015 1 193 135 116 GLU H H 8.366 0.006 1 194 135 116 GLU CA C 53.759 0.000 1 195 135 116 GLU N N 115.832 0.082 1 196 136 117 ASN H H 8.144 0.003 1 197 136 117 ASN CA C 52.286 0.000 1 198 136 117 ASN N N 120.311 0.025 1 199 137 118 LYS H H 8.722 0.000 1 200 137 118 LYS CA C 54.022 0.000 1 201 137 118 LYS N N 119.438 0.004 1 202 146 127 ASN CA C 51.743 0.000 1 203 147 128 GLU H H 7.640 0.005 1 204 147 128 GLU CA C 54.114 0.000 1 205 147 128 GLU N N 124.964 0.117 1 206 148 129 SER H H 8.192 0.006 1 207 148 129 SER CA C 56.911 0.000 1 208 148 129 SER N N 113.560 0.046 1 209 149 130 GLY H H 7.671 0.006 1 210 149 130 GLY CA C 42.252 0.000 1 211 149 130 GLY N N 109.252 0.061 1 212 158 139 ILE CA C 54.349 0.000 1 213 159 140 LYS H H 8.689 0.002 1 214 159 140 LYS CA C 59.474 0.000 1 215 159 140 LYS N N 121.250 0.014 1 216 160 141 TRP H H 8.640 0.010 1 217 160 141 TRP CA C 54.181 0.000 1 218 160 141 TRP N N 121.029 0.094 1 219 161 142 LYS H H 7.292 0.004 1 220 161 142 LYS CA C 56.330 0.000 1 221 161 142 LYS N N 117.158 0.026 1 222 162 143 SER H H 8.104 0.002 1 223 162 143 SER CA C 55.508 0.000 1 224 162 143 SER N N 119.817 0.072 1 225 163 144 GLY H H 8.053 0.006 1 226 163 144 GLY CA C 42.237 0.000 1 227 163 144 GLY N N 109.782 0.025 1 228 164 145 LYS H H 7.978 0.015 1 229 164 145 LYS CA C 52.845 0.000 1 230 164 145 LYS N N 116.368 0.046 1 231 165 146 ASP H H 8.841 0.004 1 232 165 146 ASP CA C 51.155 0.000 1 233 165 146 ASP N N 119.289 0.010 1 234 166 147 LEU H H 8.670 0.004 1 235 166 147 LEU CA C 54.232 0.000 1 236 166 147 LEU N N 123.130 0.025 1 237 178 159 SER H H 7.640 0.020 1 238 178 159 SER CA C 59.138 0.000 1 239 178 159 SER N N 121.838 0.054 1 240 186 167 PRO CA C 60.507 0.000 1 241 187 168 GLU H H 9.178 0.006 1 242 187 168 GLU CA C 51.072 0.000 1 243 187 168 GLU N N 115.489 0.030 1 244 196 177 HIS CA C 53.339 0.000 1 245 196 177 HIS CB C 28.309 0.000 1 246 197 178 SER H H 7.826 0.033 1 247 197 178 SER CA C 57.389 0.000 1 248 197 178 SER CB C 62.377 0.000 1 249 197 178 SER N N 122.551 0.121 1 250 199 180 ALA H H 8.237 0.008 1 251 199 180 ALA CA C 50.063 0.003 1 252 199 180 ALA N N 124.458 0.029 1 253 200 181 GLY H H 8.331 0.011 1 254 200 181 GLY CA C 42.342 0.001 1 255 200 181 GLY N N 107.491 0.060 1 256 201 182 ALA H H 7.886 0.009 1 257 201 182 ALA CA C 48.981 0.000 1 258 201 182 ALA N N 123.869 0.039 1 259 202 183 ASP H H 7.935 0.016 1 260 202 183 ASP CA C 51.285 0.000 1 261 202 183 ASP N N 122.173 0.162 1 262 203 184 GLU H H 8.202 0.005 1 263 203 184 GLU CA C 51.859 0.000 1 264 203 184 GLU N N 122.856 0.041 1 265 204 185 LEU H H 8.483 0.004 1 266 204 185 LEU CA C 54.225 0.000 1 267 204 185 LEU N N 120.393 0.022 1 268 205 186 GLY H H 8.332 0.000 1 269 205 186 GLY CA C 42.225 0.000 1 270 205 186 GLY N N 109.398 0.006 1 271 206 187 GLU H H 8.011 0.007 1 272 206 187 GLU CA C 49.197 0.000 1 273 206 187 GLU N N 121.701 0.029 1 274 207 188 VAL H H 8.761 0.004 1 275 207 188 VAL CA C 55.005 0.000 1 276 207 188 VAL N N 122.438 0.019 1 277 208 189 ILE H H 8.726 0.003 1 278 208 189 ILE CA C 63.182 0.000 1 279 208 189 ILE N N 123.419 0.047 1 280 214 195 PRO CA C 60.589 0.000 1 281 214 195 PRO CB C 29.680 0.000 1 282 215 196 ASN H H 8.160 0.009 1 283 215 196 ASN CA C 51.977 0.000 1 284 215 196 ASN CB C 38.488 0.000 1 285 215 196 ASN N N 120.659 0.055 1 286 223 204 PRO CA C 63.803 0.000 1 287 224 205 ASP H H 6.849 0.005 1 288 224 205 ASP CA C 48.742 0.000 1 289 224 205 ASP N N 105.513 0.051 1 stop_ save_