data_26629 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SPOP-MATH ; _BMRB_accession_number 26629 _BMRB_flat_file_name bmr26629.str _Entry_type original _Submission_date 2015-08-10 _Accession_date 2015-08-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'MATH domain of SPOP' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grace Christy R. . 2 Pierce Wendy K. . 3 Mittag Tanja . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 134 "13C chemical shifts" 270 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2016-01-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26631 MATH-PUC stop_ _Original_release_date 2016-01-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Multiple weak linear motifs enhance recruitment and processivity in SPOP-mediated substrate ubiquitination ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26475525 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pierce Wendy K. . 2 Grace Christy R. . 3 Lee Jihun . . 4 Nourse Amanda . . 5 Marzahn Melissa M. . 6 Watson Edmond R. . 7 High Anthony . . 8 Peng Junmin . . 9 Schulman Brenda . . 10 Mittag Tanja . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 428 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1256 _Page_last 1271 _Year 2016 _Details . loop_ _Keyword Gli3 MATH SPOP ubiquitination stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MATH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MATH $MATH 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_MATH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MATH _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GSSGSSGKVVKFSYMWTINN FSFCREEMGEVIKSSTFSSG ANDKLKWCLRVNPKGLDEES KDYLSLYLLLVSCPKSEVRA KFKFSILNAKGEETKAMESQ RAYRFVQGKDWGFKKFIRRD FLLDEANGLLPDDKLTLFCE VSVVQDSVNISGQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 VAL 10 VAL 11 LYS 12 PHE 13 SER 14 TYR 15 MET 16 TRP 17 THR 18 ILE 19 ASN 20 ASN 21 PHE 22 SER 23 PHE 24 CYS 25 ARG 26 GLU 27 GLU 28 MET 29 GLY 30 GLU 31 VAL 32 ILE 33 LYS 34 SER 35 SER 36 THR 37 PHE 38 SER 39 SER 40 GLY 41 ALA 42 ASN 43 ASP 44 LYS 45 LEU 46 LYS 47 TRP 48 CYS 49 LEU 50 ARG 51 VAL 52 ASN 53 PRO 54 LYS 55 GLY 56 LEU 57 ASP 58 GLU 59 GLU 60 SER 61 LYS 62 ASP 63 TYR 64 LEU 65 SER 66 LEU 67 TYR 68 LEU 69 LEU 70 LEU 71 VAL 72 SER 73 CYS 74 PRO 75 LYS 76 SER 77 GLU 78 VAL 79 ARG 80 ALA 81 LYS 82 PHE 83 LYS 84 PHE 85 SER 86 ILE 87 LEU 88 ASN 89 ALA 90 LYS 91 GLY 92 GLU 93 GLU 94 THR 95 LYS 96 ALA 97 MET 98 GLU 99 SER 100 GLN 101 ARG 102 ALA 103 TYR 104 ARG 105 PHE 106 VAL 107 GLN 108 GLY 109 LYS 110 ASP 111 TRP 112 GLY 113 PHE 114 LYS 115 LYS 116 PHE 117 ILE 118 ARG 119 ARG 120 ASP 121 PHE 122 LEU 123 LEU 124 ASP 125 GLU 126 ALA 127 ASN 128 GLY 129 LEU 130 LEU 131 PRO 132 ASP 133 ASP 134 LYS 135 LEU 136 THR 137 LEU 138 PHE 139 CYS 140 GLU 141 VAL 142 SER 143 VAL 144 VAL 145 GLN 146 ASP 147 SER 148 VAL 149 ASN 150 ILE 151 SER 152 GLY 153 GLN 154 SER 155 GLY 156 PRO 157 SER 158 SER 159 GLY 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 $MATH 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 $MATH 'recombinant technology' . Escherichia coli . BL21(DE3) 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 $MATH 0.5 mM '[U-100% 13C; U-100% 15N]' D2O 0.1 mM '[U-100% 2H]' DTT 5.0 mM 'natural abundance' 'sodium chloride' 50.0 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium phosphate' 10.0 mM 'natural abundance' 'potassium phosphate' 1.76 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 50 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . 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 . other . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . other . 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 $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D CBCA(CO)NH' 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 MATH _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 7 7 GLY H H 8.387 0.020 1 2 7 7 GLY CA C 45.430 0.3 1 3 7 7 GLY N N 110.605 0.3 1 4 8 8 LYS H H 8.241 0.020 1 5 8 8 LYS CA C 56.299 0.3 1 6 8 8 LYS CB C 33.500 0.3 1 7 8 8 LYS N N 121.256 0.3 1 8 9 9 VAL H H 8.161 0.020 1 9 9 9 VAL CA C 60.844 0.3 1 10 9 9 VAL CB C 34.409 0.3 1 11 9 9 VAL N N 120.262 0.3 1 12 10 10 VAL H H 8.749 0.020 1 13 10 10 VAL CA C 62.154 0.3 1 14 10 10 VAL CB C 33.779 0.3 1 15 10 10 VAL N N 127.155 0.3 1 16 11 11 LYS H H 8.598 0.020 1 17 11 11 LYS CA C 54.758 0.3 1 18 11 11 LYS CB C 35.287 0.3 1 19 11 11 LYS N N 127.703 0.3 1 20 12 12 PHE H H 8.710 0.020 1 21 12 12 PHE CA C 56.147 0.3 1 22 12 12 PHE CB C 40.397 0.3 1 23 12 12 PHE N N 121.446 0.3 1 24 13 13 SER H H 8.632 0.020 1 25 13 13 SER CA C 56.469 0.3 1 26 13 13 SER CB C 67.855 0.3 1 27 13 13 SER N N 113.522 0.3 1 28 14 14 TYR H H 8.491 0.020 1 29 14 14 TYR CA C 57.954 0.3 1 30 14 14 TYR CB C 42.403 0.3 1 31 14 14 TYR N N 120.711 0.3 1 32 15 15 MET H H 7.183 0.020 1 33 15 15 MET CA C 53.895 0.3 1 34 15 15 MET CB C 36.078 0.3 1 35 15 15 MET N N 126.308 0.3 1 36 16 16 TRP H H 9.145 0.020 1 37 16 16 TRP CA C 53.487 0.3 1 38 16 16 TRP CB C 33.061 0.3 1 39 16 16 TRP N N 127.487 0.3 1 40 17 17 THR H H 8.642 0.020 1 41 17 17 THR CA C 61.705 0.3 1 42 17 17 THR CB C 70.449 0.3 1 43 17 17 THR N N 124.324 0.3 1 44 18 18 ILE H H 9.338 0.020 1 45 18 18 ILE CA C 60.904 0.3 1 46 18 18 ILE CB C 39.594 0.3 1 47 18 18 ILE N N 129.661 0.3 1 48 19 19 ASN H H 8.384 0.020 1 49 19 19 ASN CA C 53.262 0.3 1 50 19 19 ASN CB C 40.006 0.3 1 51 19 19 ASN N N 124.580 0.3 1 52 20 20 ASN H H 8.806 0.020 1 53 20 20 ASN CA C 53.801 0.3 1 54 20 20 ASN CB C 37.527 0.3 1 55 20 20 ASN N N 118.620 0.3 1 56 21 21 PHE H H 9.074 0.020 1 57 21 21 PHE CA C 62.736 0.3 1 58 21 21 PHE CB C 39.653 0.3 1 59 21 21 PHE N N 120.312 0.3 1 60 22 22 SER H H 10.284 0.020 1 61 22 22 SER CA C 61.863 0.3 1 62 22 22 SER CB C 62.190 0.3 1 63 22 22 SER N N 116.430 0.3 1 64 23 23 PHE H H 7.880 0.020 1 65 23 23 PHE CA C 57.955 0.3 1 66 23 23 PHE CB C 39.414 0.3 1 67 23 23 PHE N N 119.943 0.3 1 68 24 24 CYS H H 7.611 0.020 1 69 24 24 CYS CA C 61.771 0.3 1 70 24 24 CYS CB C 26.109 0.3 1 71 24 24 CYS N N 120.227 0.3 1 72 25 25 ARG H H 8.607 0.020 1 73 25 25 ARG CA C 56.487 0.3 1 74 25 25 ARG CB C 30.333 0.3 1 75 25 25 ARG N N 125.097 0.3 1 76 26 26 GLU H H 8.897 0.020 1 77 26 26 GLU CA C 59.662 0.3 1 78 26 26 GLU CB C 29.618 0.3 1 79 27 27 GLU H H 8.511 0.020 1 80 27 27 GLU CA C 55.063 0.3 1 81 27 27 GLU CB C 31.428 0.3 1 82 27 27 GLU N N 120.820 0.3 1 83 28 28 MET H H 8.796 0.020 1 84 28 28 MET CA C 58.640 0.3 1 85 28 28 MET CB C 33.277 0.3 1 86 28 28 MET N N 121.327 0.3 1 87 29 29 GLY H H 8.531 0.020 1 88 29 29 GLY CA C 45.387 0.3 1 89 29 29 GLY N N 111.058 0.3 1 90 30 30 GLU H H 8.126 0.020 1 91 30 30 GLU CA C 56.864 0.3 1 92 30 30 GLU CB C 30.507 0.3 1 93 30 30 GLU N N 119.548 0.3 1 94 31 31 VAL H H 8.371 0.020 1 95 31 31 VAL CA C 60.276 0.3 1 96 31 31 VAL CB C 35.924 0.3 1 97 31 31 VAL N N 118.644 0.3 1 98 32 32 ILE H H 9.025 0.020 1 99 32 32 ILE CA C 61.391 0.3 1 100 32 32 ILE CB C 40.530 0.3 1 101 32 32 ILE N N 124.774 0.3 1 102 33 33 LYS H H 8.892 0.020 1 103 33 33 LYS CA C 54.672 0.3 1 104 33 33 LYS CB C 35.688 0.3 1 105 33 33 LYS N N 126.507 0.3 1 106 34 34 SER H H 8.530 0.020 1 107 34 34 SER CA C 58.320 0.3 1 108 34 34 SER CB C 64.374 0.3 1 109 34 34 SER N N 121.777 0.3 1 110 35 35 SER H H 8.028 0.020 1 111 35 35 SER CA C 58.971 0.3 1 112 35 35 SER CB C 63.819 0.3 1 113 35 35 SER N N 113.238 0.3 1 114 36 36 THR H H 8.258 0.020 1 115 36 36 THR CA C 61.313 0.3 1 116 36 36 THR CB C 70.549 0.3 1 117 36 36 THR N N 114.036 0.3 1 118 37 37 PHE H H 8.956 0.020 1 119 37 37 PHE CA C 55.533 0.3 1 120 37 37 PHE CB C 42.070 0.3 1 121 37 37 PHE N N 120.003 0.3 1 122 38 38 SER H H 8.398 0.020 1 123 38 38 SER CA C 57.220 0.3 1 124 38 38 SER CB C 65.938 0.3 1 125 38 38 SER N N 113.272 0.3 1 126 39 39 SER H H 8.720 0.020 1 127 39 39 SER CA C 58.887 0.3 1 128 39 39 SER CB C 63.741 0.3 1 129 39 39 SER N N 115.771 0.3 1 130 40 40 GLY H H 7.892 0.020 1 131 40 40 GLY CA C 45.168 0.3 1 132 40 40 GLY N N 109.642 0.3 1 133 41 41 ALA H H 8.514 0.020 1 134 41 41 ALA CA C 53.393 0.3 1 135 41 41 ALA CB C 18.971 0.3 1 136 41 41 ALA N N 123.061 0.3 1 137 42 42 ASN H H 8.378 0.020 1 138 42 42 ASN CA C 52.921 0.3 1 139 42 42 ASN CB C 38.051 0.3 1 140 42 42 ASN N N 114.972 0.3 1 141 43 43 ASP H H 7.677 0.020 1 142 43 43 ASP CA C 54.198 0.3 1 143 43 43 ASP CB C 41.416 0.3 1 144 43 43 ASP N N 120.351 0.3 1 145 44 44 LYS H H 8.383 0.020 1 146 44 44 LYS CA C 56.682 0.3 1 147 44 44 LYS CB C 31.956 0.3 1 148 45 45 LEU H H 7.950 0.020 1 149 45 45 LEU CA C 54.859 0.3 1 150 45 45 LEU CB C 41.782 0.3 1 151 45 45 LEU N N 121.227 0.3 1 152 46 46 LYS H H 7.602 0.020 1 153 46 46 LYS CA C 54.598 0.3 1 154 46 46 LYS CB C 35.906 0.3 1 155 46 46 LYS N N 119.453 0.3 1 156 47 47 TRP H H 8.510 0.020 1 157 47 47 TRP CA C 55.148 0.3 1 158 47 47 TRP CB C 32.521 0.3 1 159 47 47 TRP N N 123.721 0.3 1 160 48 48 CYS H H 9.046 0.020 1 161 48 48 CYS CA C 57.984 0.3 1 162 48 48 CYS CB C 31.074 0.3 1 163 48 48 CYS N N 113.293 0.3 1 164 49 49 LEU H H 8.647 0.020 1 165 49 49 LEU CA C 52.954 0.3 1 166 49 49 LEU CB C 45.063 0.3 1 167 49 49 LEU N N 120.035 0.3 1 168 50 50 ARG H H 9.042 0.020 1 169 50 50 ARG CA C 55.075 0.3 1 170 50 50 ARG CB C 34.588 0.3 1 171 50 50 ARG N N 119.703 0.3 1 172 51 51 VAL H H 9.494 0.020 1 173 51 51 VAL CA C 58.730 0.3 1 174 51 51 VAL CB C 36.265 0.3 1 175 51 51 VAL N N 123.801 0.3 1 176 52 52 ASN H H 8.827 0.020 1 177 52 52 ASN CA C 50.132 0.3 1 178 52 52 ASN CB C 39.709 0.3 1 179 52 52 ASN N N 124.564 0.3 1 180 53 53 PRO CA C 65.297 0.3 1 181 53 53 PRO CB C 32.799 0.3 1 182 54 54 LYS H H 8.462 0.020 1 183 54 54 LYS CA C 55.107 0.3 1 184 54 54 LYS CB C 33.942 0.3 1 185 55 55 GLY H H 7.419 0.020 1 186 55 55 GLY CA C 45.604 0.3 1 187 56 56 LEU H H 7.788 0.020 1 188 56 56 LEU CA C 56.350 0.3 1 189 56 56 LEU CB C 44.366 0.3 1 190 56 56 LEU N N 119.955 0.3 1 191 57 57 ASP H H 7.741 0.020 1 192 57 57 ASP CA C 52.408 0.3 1 193 57 57 ASP CB C 41.564 0.3 1 194 57 57 ASP N N 115.092 0.3 1 195 58 58 GLU H H 8.530 0.020 1 196 58 58 GLU CA C 60.183 0.3 1 197 58 58 GLU CB C 29.357 0.3 1 198 58 58 GLU N N 118.719 0.3 1 199 59 59 GLU H H 8.129 0.020 1 200 59 59 GLU CA C 58.346 0.3 1 201 59 59 GLU CB C 29.283 0.3 1 202 59 59 GLU N N 117.205 0.3 1 203 60 60 SER H H 8.122 0.020 1 204 60 60 SER CA C 57.443 0.3 1 205 60 60 SER CB C 65.340 0.3 1 206 60 60 SER N N 111.626 0.3 1 207 61 61 LYS H H 7.376 0.020 1 208 61 61 LYS CA C 58.663 0.3 1 209 61 61 LYS CB C 32.251 0.3 1 210 61 61 LYS N N 122.303 0.3 1 211 62 62 ASP H H 8.656 0.020 1 212 62 62 ASP CA C 54.780 0.3 1 213 62 62 ASP CB C 40.628 0.3 1 214 62 62 ASP N N 117.350 0.3 1 215 63 63 TYR H H 8.807 0.020 1 216 63 63 TYR CA C 58.262 0.3 1 217 63 63 TYR CB C 41.756 0.3 1 218 63 63 TYR N N 121.541 0.3 1 219 64 64 LEU H H 8.422 0.020 1 220 64 64 LEU CA C 55.238 0.3 1 221 64 64 LEU CB C 44.437 0.3 1 222 64 64 LEU N N 116.985 0.3 1 223 65 65 SER H H 8.156 0.020 1 224 65 65 SER CA C 57.252 0.3 1 225 65 65 SER CB C 64.288 0.3 1 226 65 65 SER N N 121.058 0.3 1 227 66 66 LEU H H 7.946 0.020 1 228 66 66 LEU CA C 54.446 0.3 1 229 66 66 LEU CB C 46.663 0.3 1 230 66 66 LEU N N 126.287 0.3 1 231 67 67 TYR H H 8.948 0.020 1 232 67 67 TYR CA C 57.300 0.3 1 233 67 67 TYR CB C 43.810 0.3 1 234 67 67 TYR N N 122.685 0.3 1 235 68 68 LEU H H 9.037 0.020 1 236 68 68 LEU CA C 53.900 0.3 1 237 68 68 LEU CB C 45.188 0.3 1 238 68 68 LEU N N 123.096 0.3 1 239 69 69 LEU H H 9.287 0.020 1 240 69 69 LEU CA C 53.907 0.3 1 241 69 69 LEU CB C 45.772 0.3 1 242 69 69 LEU N N 127.919 0.3 1 243 70 70 LEU H H 7.839 0.020 1 244 70 70 LEU CA C 53.939 0.3 1 245 70 70 LEU CB C 40.800 0.3 1 246 70 70 LEU N N 125.780 0.3 1 247 71 71 VAL H H 8.478 0.020 1 248 71 71 VAL CA C 64.282 0.3 1 249 71 71 VAL CB C 32.723 0.3 1 250 71 71 VAL N N 129.094 0.3 1 251 72 72 SER H H 7.308 0.020 1 252 72 72 SER CA C 56.878 0.3 1 253 72 72 SER CB C 64.913 0.3 1 254 72 72 SER N N 111.223 0.3 1 255 73 73 CYS H H 8.682 0.020 1 256 73 73 CYS CA C 55.177 0.3 1 257 73 73 CYS CB C 29.217 0.3 1 258 73 73 CYS N N 121.997 0.3 1 259 74 74 PRO CA C 63.418 0.3 1 260 74 74 PRO CB C 31.701 0.3 1 261 75 75 LYS H H 7.639 0.020 1 262 75 75 LYS CA C 55.267 0.3 1 263 75 75 LYS CB C 33.265 0.3 1 264 75 75 LYS N N 119.220 0.3 1 265 76 76 SER H H 8.290 0.020 1 266 76 76 SER CA C 60.752 0.3 1 267 76 76 SER CB C 63.574 0.3 1 268 77 77 GLU H H 7.654 0.020 1 269 77 77 GLU CA C 55.205 0.3 1 270 77 77 GLU CB C 32.491 0.3 1 271 77 77 GLU N N 115.408 0.3 1 272 78 78 VAL H H 8.798 0.020 1 273 78 78 VAL CA C 60.994 0.3 1 274 78 78 VAL CB C 36.133 0.3 1 275 78 78 VAL N N 118.307 0.3 1 276 79 79 ARG H H 9.207 0.020 1 277 79 79 ARG CA C 54.486 0.3 1 278 79 79 ARG CB C 31.685 0.3 1 279 79 79 ARG N N 125.625 0.3 1 280 80 80 ALA H H 9.312 0.020 1 281 80 80 ALA CA C 51.476 0.3 1 282 80 80 ALA CB C 23.120 0.3 1 283 80 80 ALA N N 123.306 0.3 1 284 81 81 LYS H H 8.756 0.020 1 285 81 81 LYS CA C 54.476 0.3 1 286 81 81 LYS CB C 35.068 0.3 1 287 81 81 LYS N N 121.196 0.3 1 288 82 82 PHE H H 7.658 0.020 1 289 82 82 PHE CA C 54.993 0.3 1 290 82 82 PHE CB C 41.834 0.3 1 291 82 82 PHE N N 113.562 0.3 1 292 83 83 LYS H H 8.595 0.020 1 293 83 83 LYS CA C 54.901 0.3 1 294 83 83 LYS CB C 36.774 0.3 1 295 83 83 LYS N N 121.460 0.3 1 296 84 84 PHE H H 9.024 0.020 1 297 84 84 PHE CA C 53.504 0.3 1 298 84 84 PHE CB C 44.439 0.3 1 299 84 84 PHE N N 124.284 0.3 1 300 85 85 SER H H 9.507 0.020 1 301 85 85 SER CA C 57.787 0.3 1 302 85 85 SER CB C 65.972 0.3 1 303 85 85 SER N N 114.449 0.3 1 304 86 86 ILE H H 8.696 0.020 1 305 86 86 ILE CA C 60.217 0.3 1 306 86 86 ILE CB C 41.015 0.3 1 307 86 86 ILE N N 119.015 0.3 1 308 87 87 LEU H H 8.214 0.020 1 309 87 87 LEU CA C 53.114 0.3 1 310 87 87 LEU CB C 42.480 0.3 1 311 87 87 LEU N N 126.056 0.3 1 312 88 88 ASN H H 8.445 0.020 1 313 88 88 ASN CA C 50.741 0.3 1 314 88 88 ASN CB C 39.060 0.3 1 315 88 88 ASN N N 120.922 0.3 1 316 89 89 ALA H H 8.667 0.020 1 317 89 89 ALA CA C 54.901 0.3 1 318 89 89 ALA CB C 18.789 0.3 1 319 89 89 ALA N N 119.680 0.3 1 320 90 90 LYS H H 7.454 0.020 1 321 90 90 LYS CA C 55.691 0.3 1 322 90 90 LYS CB C 32.726 0.3 1 323 90 90 LYS N N 115.385 0.3 1 324 91 91 GLY H H 8.339 0.020 1 325 91 91 GLY CA C 45.387 0.3 1 326 91 91 GLY N N 108.524 0.3 1 327 92 92 GLU H H 7.780 0.020 1 328 92 92 GLU CA C 54.355 0.3 1 329 92 92 GLU CB C 30.672 0.3 1 330 92 92 GLU N N 119.227 0.3 1 331 93 93 GLU H H 8.557 0.020 1 332 93 93 GLU CA C 57.180 0.3 1 333 93 93 GLU CB C 30.993 0.3 1 334 93 93 GLU N N 121.950 0.3 1 335 94 94 THR H H 9.108 0.020 1 336 94 94 THR CA C 61.249 0.3 1 337 94 94 THR CB C 70.579 0.3 1 338 94 94 THR N N 120.292 0.3 1 339 95 95 LYS H H 8.305 0.020 1 340 95 95 LYS CA C 54.841 0.3 1 341 95 95 LYS CB C 29.356 0.3 1 342 95 95 LYS N N 119.129 0.3 1 343 96 96 ALA H H 7.939 0.020 1 344 96 96 ALA CA C 51.865 0.3 1 345 96 96 ALA CB C 21.171 0.3 1 346 96 96 ALA N N 118.788 0.3 1 347 97 97 MET H H 9.314 0.020 1 348 97 97 MET CA C 56.359 0.3 1 349 97 97 MET CB C 37.163 0.3 1 350 97 97 MET N N 121.205 0.3 1 351 98 98 GLU H H 8.638 0.020 1 352 98 98 GLU CA C 53.955 0.3 1 353 98 98 GLU CB C 33.495 0.3 1 354 98 98 GLU N N 122.283 0.3 1 355 100 100 GLN CA C 57.357 0.3 1 356 100 100 GLN CB C 28.526 0.3 1 357 101 101 ARG H H 8.442 0.020 1 358 101 101 ARG CA C 53.324 0.3 1 359 101 101 ARG CB C 32.008 0.3 1 360 102 102 ALA CA C 51.145 0.3 1 361 102 102 ALA CB C 18.444 0.3 1 362 103 103 TYR H H 8.470 0.020 1 363 103 103 TYR CA C 57.482 0.3 1 364 103 103 TYR CB C 40.754 0.3 1 365 104 104 ARG H H 8.603 0.020 1 366 104 104 ARG CA C 56.238 0.3 1 367 104 104 ARG CB C 30.691 0.3 1 368 104 104 ARG N N 120.067 0.3 1 369 105 105 PHE H H 10.287 0.020 1 370 105 105 PHE CA C 58.878 0.3 1 371 105 105 PHE CB C 42.701 0.3 1 372 105 105 PHE N N 130.373 0.3 1 373 106 106 VAL H H 6.716 0.020 1 374 106 106 VAL CA C 58.849 0.3 1 375 106 106 VAL CB C 35.061 0.3 1 376 106 106 VAL N N 111.035 0.3 1 377 107 107 GLN H H 8.988 0.020 1 378 107 107 GLN CA C 59.609 0.3 1 379 107 107 GLN CB C 28.506 0.3 1 380 107 107 GLN N N 121.985 0.3 1 381 108 108 GLY H H 9.265 0.020 1 382 108 108 GLY CA C 45.275 0.3 1 383 108 108 GLY N N 114.828 0.3 1 384 109 109 LYS H H 8.452 0.020 1 385 109 109 LYS CA C 54.899 0.3 1 386 109 109 LYS CB C 34.977 0.3 1 387 109 109 LYS N N 122.556 0.3 1 388 110 110 ASP H H 8.144 0.020 1 389 110 110 ASP CA C 50.686 0.3 1 390 110 110 ASP CB C 44.425 0.3 1 391 110 110 ASP N N 120.911 0.3 1 392 111 111 TRP H H 8.560 0.020 1 393 111 111 TRP CA C 56.025 0.3 1 394 111 111 TRP CB C 34.947 0.3 1 395 111 111 TRP N N 117.138 0.3 1 396 112 112 GLY H H 8.423 0.020 1 397 112 112 GLY CA C 46.619 0.3 1 398 112 112 GLY N N 107.424 0.3 1 399 113 113 PHE H H 8.373 0.020 1 400 113 113 PHE CA C 55.761 0.3 1 401 113 113 PHE CB C 41.864 0.3 1 402 113 113 PHE N N 120.055 0.3 1 403 114 114 LYS H H 8.757 0.020 1 404 114 114 LYS CA C 59.133 0.3 1 405 114 114 LYS CB C 32.738 0.3 1 406 114 114 LYS N N 125.872 0.3 1 407 115 115 LYS H H 8.513 0.020 1 408 115 115 LYS CA C 53.428 0.3 1 409 115 115 LYS CB C 31.084 0.3 1 410 115 115 LYS N N 118.613 0.3 1 411 116 116 PHE H H 7.795 0.020 1 412 116 116 PHE CA C 60.926 0.3 1 413 116 116 PHE CB C 39.199 0.3 1 414 116 116 PHE N N 121.286 0.3 1 415 117 117 ILE H H 7.541 0.020 1 416 117 117 ILE CA C 59.436 0.3 1 417 117 117 ILE CB C 40.623 0.3 1 418 117 117 ILE N N 111.272 0.3 1 419 118 118 ARG H H 8.563 0.020 1 420 118 118 ARG CA C 57.519 0.3 1 421 118 118 ARG CB C 31.144 0.3 1 422 118 118 ARG N N 128.636 0.3 1 423 119 119 ARG H H 8.842 0.020 1 424 119 119 ARG CA C 60.534 0.3 1 425 119 119 ARG CB C 30.189 0.3 1 426 119 119 ARG N N 125.395 0.3 1 427 120 120 ASP H H 9.243 0.020 1 428 120 120 ASP CA C 56.409 0.3 1 429 120 120 ASP CB C 38.617 0.3 1 430 120 120 ASP N N 117.057 0.3 1 431 121 121 PHE H H 7.395 0.020 1 432 121 121 PHE CA C 60.429 0.3 1 433 121 121 PHE CB C 40.297 0.3 1 434 121 121 PHE N N 122.575 0.3 1 435 122 122 LEU H H 7.705 0.020 1 436 122 122 LEU CA C 57.969 0.3 1 437 122 122 LEU CB C 43.032 0.3 1 438 122 122 LEU N N 118.845 0.3 1 439 123 123 LEU H H 8.021 0.020 1 440 123 123 LEU CA C 55.764 0.3 1 441 123 123 LEU CB C 42.014 0.3 1 442 123 123 LEU N N 113.257 0.3 1 443 124 124 ASP H H 6.864 0.020 1 444 124 124 ASP CA C 53.838 0.3 1 445 124 124 ASP CB C 40.212 0.3 1 446 124 124 ASP N N 119.057 0.3 1 447 125 125 GLU H H 9.345 0.020 1 448 125 125 GLU CA C 59.092 0.3 1 449 125 125 GLU CB C 29.523 0.3 1 450 125 125 GLU N N 132.380 0.3 1 451 126 126 ALA H H 8.429 0.020 1 452 126 126 ALA CA C 54.341 0.3 1 453 126 126 ALA CB C 18.595 0.3 1 454 126 126 ALA N N 121.807 0.3 1 455 127 127 ASN H H 7.713 0.020 1 456 127 127 ASN CA C 53.746 0.3 1 457 127 127 ASN CB C 38.072 0.3 1 458 127 127 ASN N N 111.497 0.3 1 459 128 128 GLY H H 7.548 0.020 1 460 128 128 GLY CA C 47.641 0.3 1 461 128 128 GLY N N 106.696 0.3 1 462 129 129 LEU H H 8.545 0.020 1 463 129 129 LEU CA C 54.780 0.3 1 464 129 129 LEU CB C 42.493 0.3 1 465 129 129 LEU N N 115.947 0.3 1 466 130 130 LEU H H 8.008 0.020 1 467 130 130 LEU CA C 51.196 0.3 1 468 130 130 LEU CB C 43.845 0.3 1 469 130 130 LEU N N 117.957 0.3 1 470 131 131 PRO CA C 63.648 0.3 1 471 131 131 PRO CB C 30.920 0.3 1 472 132 132 ASP H H 9.206 0.020 1 473 132 132 ASP CA C 55.839 0.3 1 474 132 132 ASP CB C 40.297 0.3 1 475 132 132 ASP N N 122.337 0.3 1 476 133 133 ASP H H 8.434 0.020 1 477 133 133 ASP CA C 55.326 0.3 1 478 133 133 ASP CB C 41.206 0.3 1 479 133 133 ASP N N 115.462 0.3 1 480 134 134 LYS H H 7.300 0.020 1 481 134 134 LYS CA C 55.034 0.3 1 482 134 134 LYS CB C 34.513 0.3 1 483 134 134 LYS N N 117.795 0.3 1 484 135 135 LEU H H 8.316 0.020 1 485 135 135 LEU CA C 52.602 0.3 1 486 135 135 LEU CB C 44.125 0.3 1 487 135 135 LEU N N 125.403 0.3 1 488 136 136 THR H H 9.896 0.020 1 489 136 136 THR CA C 62.560 0.3 1 490 136 136 THR CB C 68.964 0.3 1 491 136 136 THR N N 125.524 0.3 1 492 137 137 LEU H H 9.099 0.020 1 493 137 137 LEU CA C 52.654 0.3 1 494 137 137 LEU CB C 45.338 0.3 1 495 137 137 LEU N N 126.799 0.3 1 496 138 138 PHE H H 9.174 0.020 1 497 138 138 PHE CA C 55.904 0.3 1 498 138 138 PHE CB C 42.314 0.3 1 499 138 138 PHE N N 122.329 0.3 1 500 139 139 CYS H H 8.552 0.020 1 501 139 139 CYS CA C 55.717 0.3 1 502 139 139 CYS CB C 30.782 0.3 1 503 139 139 CYS N N 125.895 0.3 1 504 140 140 GLU H H 8.720 0.020 1 505 140 140 GLU CA C 54.745 0.3 1 506 140 140 GLU CB C 33.878 0.3 1 507 140 140 GLU N N 126.972 0.3 1 508 141 141 VAL H H 8.607 0.020 1 509 141 141 VAL CA C 60.945 0.3 1 510 141 141 VAL CB C 33.415 0.3 1 511 141 141 VAL N N 128.140 0.3 1 512 142 142 SER H H 8.446 0.020 1 513 142 142 SER CA C 56.307 0.3 1 514 142 142 SER CB C 64.231 0.3 1 515 142 142 SER N N 120.512 0.3 1 516 143 143 VAL H H 9.263 0.020 1 517 143 143 VAL CA C 62.399 0.3 1 518 143 143 VAL CB C 33.480 0.3 1 519 143 143 VAL N N 126.893 0.3 1 520 144 144 VAL H H 8.627 0.020 1 521 144 144 VAL CA C 62.394 0.3 1 522 144 144 VAL CB C 32.562 0.3 1 523 144 144 VAL N N 127.710 0.3 1 524 145 145 GLN H H 8.591 0.020 1 525 145 145 GLN CA C 55.478 0.3 1 526 145 145 GLN CB C 30.179 0.3 1 527 145 145 GLN N N 126.345 0.3 1 528 146 146 ASP H H 8.081 0.020 1 529 146 146 ASP CA C 55.880 0.3 1 530 146 146 ASP CB C 41.725 0.3 1 531 146 146 ASP N N 128.180 0.3 1 stop_ save_