data_26527 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; WHB ; _BMRB_accession_number 26527 _BMRB_flat_file_name bmr26527.str _Entry_type original _Submission_date 2015-03-02 _Accession_date 2015-03-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown Nicholus G. . 2 Grace Christy R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 230 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-21 update BMRB 'update entry citation' 2015-06-17 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26526 UBCH10 26528 'UBCH10 in complex with WHB' 26529 'WHB in complex with UBCH10' stop_ _Original_release_date 2015-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; RING E3 mechanism for ubiquitin ligation to a disordered substrate visualized for human anaphase-promoting complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25825779 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown Nicholas G. . 2 VanderLinden Ryan . . 3 Watson Edmond R. . 4 Qiao Renping . . 5 Grace Christy R. . 6 Yamaguchi Masaya . . 7 Weissmann Florian . . 8 Frye Jeremiah J. . 9 Dube Prakash . . 10 Cho Shein E. . 11 Actis Marcelo L. . 12 Rodrigues Patrick . . 13 Fujii Naoaki . . 14 Peters Jan-Michael . . 15 Stark Holger . . 16 Schulman Brenda A. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_name_full 112 _Journal_volume 17 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5272 _Page_last 5279 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name WHB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label molecule_1 $Molecule_1 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_Molecule_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Molecule_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSESDSGMASQADQKEEELL LFWTYIQAMLTNLESLSLDR IYNMLRMFVVTGPALAEIDL QELQGYLQKKVRDQQLVYSA GVYRLPKNCS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 GLU 4 4 SER 5 5 ASP 6 6 SER 7 7 GLY 8 8 MET 9 9 ALA 10 10 SER 11 11 GLN 12 12 ALA 13 13 ASP 14 14 GLN 15 15 LYS 16 16 GLU 17 17 GLU 18 18 GLU 19 19 LEU 20 20 LEU 21 21 LEU 22 22 PHE 23 23 TRP 24 24 THR 25 25 TYR 26 26 ILE 27 27 GLN 28 28 ALA 29 29 MET 30 30 LEU 31 31 THR 32 32 ASN 33 33 LEU 34 34 GLU 35 35 SER 36 36 LEU 37 37 SER 38 38 LEU 39 39 ASP 40 40 ARG 41 41 ILE 42 42 TYR 43 43 ASN 44 44 MET 45 45 LEU 46 46 ARG 47 47 MET 48 48 PHE 49 49 VAL 50 50 VAL 51 51 THR 52 52 GLY 53 53 PRO 54 54 ALA 55 55 LEU 56 56 ALA 57 57 GLU 58 58 ILE 59 59 ASP 60 60 LEU 61 61 GLN 62 62 GLU 63 63 LEU 64 64 GLN 65 65 GLY 66 66 TYR 67 67 LEU 68 68 GLN 69 69 LYS 70 70 LYS 71 71 VAL 72 72 ARG 73 73 ASP 74 74 GLN 75 75 GLN 76 76 LEU 77 77 VAL 78 78 TYR 79 79 SER 80 80 ALA 81 81 GLY 82 82 VAL 83 83 TYR 84 84 ARG 85 85 LEU 86 86 PRO 87 87 LYS 88 88 ASN 89 89 CYS 90 90 SER 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 $Molecule_1 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 $Molecule_1 'recombinant technology' . Escherichia coli . PRSF1B 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 $Molecule_1 0.5 mM '[U-100% 13C; U-100% 15N]' DTT 0.01 mM 'natural abundance' 'sodium chloride' 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 100 . mM pH 7.0 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 molecule_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 3 3 GLU H H 8.789 0.020 1 2 3 3 GLU CA C 57.495 0.3 1 3 3 3 GLU CB C 29.510 0.3 1 4 3 3 GLU N N 122.787 0.3 1 5 4 4 SER H H 8.209 0.020 1 6 4 4 SER CA C 58.606 0.3 1 7 4 4 SER CB C 63.796 0.3 1 8 4 4 SER N N 115.714 0.3 1 9 5 5 ASP H H 8.168 0.020 1 10 5 5 ASP CA C 54.682 0.3 1 11 5 5 ASP CB C 41.133 0.3 1 12 5 5 ASP N N 122.488 0.3 1 13 6 6 SER H H 8.245 0.020 1 14 6 6 SER CA C 59.050 0.3 1 15 6 6 SER CB C 63.714 0.3 1 16 6 6 SER N N 116.312 0.3 1 17 7 7 GLY H H 8.386 0.020 1 18 7 7 GLY CA C 45.649 0.3 1 19 7 7 GLY N N 110.684 0.3 1 20 8 8 MET H H 8.040 0.020 1 21 8 8 MET C C 176.217 0.3 1 22 8 8 MET CA C 55.644 0.3 1 23 8 8 MET CB C 32.841 0.3 1 24 8 8 MET N N 119.705 0.3 1 25 9 9 ALA H H 8.286 0.020 1 26 9 9 ALA CA C 52.757 0.3 1 27 9 9 ALA CB C 19.071 0.3 1 28 9 9 ALA N N 125.244 0.3 1 29 10 10 SER H H 8.327 0.020 1 30 10 10 SER CA C 58.383 0.3 1 31 10 10 SER CB C 63.862 0.3 1 32 10 10 SER N N 115.315 0.3 1 33 11 11 GLN H H 8.426 0.020 1 34 11 11 GLN CA C 56.681 0.3 1 35 11 11 GLN CB C 29.065 0.3 1 36 11 11 GLN N N 122.521 0.3 1 37 12 12 ALA H H 8.231 0.020 1 38 12 12 ALA C C 178.357 0.3 1 39 12 12 ALA CA C 53.571 0.3 1 40 12 12 ALA CB C 18.849 0.3 1 41 12 12 ALA N N 124.237 0.3 1 42 13 13 ASP H H 8.180 0.020 1 43 13 13 ASP C C 177.266 0.3 1 44 13 13 ASP CA C 55.200 0.3 1 45 13 13 ASP CB C 40.985 0.3 1 46 13 13 ASP N N 119.765 0.3 1 47 14 14 GLN H H 8.262 0.020 1 48 14 14 GLN C C 177.370 0.3 1 49 14 14 GLN CA C 58.309 0.3 1 50 14 14 GLN CB C 28.399 0.3 1 51 14 14 GLN N N 122.090 0.3 1 52 15 15 LYS H H 8.103 0.020 1 53 15 15 LYS C C 177.538 0.3 1 54 15 15 LYS CA C 59.689 0.3 1 55 15 15 LYS CB C 32.249 0.3 1 56 15 15 LYS N N 119.670 0.3 1 57 16 16 GLU H H 7.859 0.020 1 58 16 16 GLU C C 179.519 0.3 1 59 16 16 GLU CA C 59.642 0.3 1 60 16 16 GLU CB C 29.213 0.3 1 61 16 16 GLU N N 117.507 0.3 1 62 17 17 GLU H H 8.044 0.020 1 63 17 17 GLU C C 179.456 0.3 1 64 17 17 GLU CA C 59.642 0.3 1 65 17 17 GLU CB C 29.490 0.3 1 66 17 17 GLU N N 119.573 0.3 1 67 18 18 GLU H H 8.312 0.020 1 68 18 18 GLU C C 179.016 0.3 1 69 18 18 GLU CA C 59.494 0.3 1 70 18 18 GLU CB C 28.843 0.3 1 71 18 18 GLU N N 120.328 0.3 1 72 19 19 LEU H H 8.514 0.020 1 73 19 19 LEU C C 178.607 0.3 1 74 19 19 LEU CA C 57.778 0.3 1 75 19 19 LEU CB C 41.207 0.3 1 76 19 19 LEU N N 121.475 0.3 1 77 20 20 LEU H H 7.665 0.020 1 78 20 20 LEU C C 180.357 0.3 1 79 20 20 LEU CA C 58.457 0.3 1 80 20 20 LEU CB C 41.355 0.3 1 81 20 20 LEU N N 119.998 0.3 1 82 21 21 LEU H H 7.664 0.020 1 83 21 21 LEU CA C 58.309 0.3 1 84 21 21 LEU CB C 41.355 0.3 1 85 21 21 LEU N N 121.102 0.3 1 86 22 22 PHE H H 8.356 0.020 1 87 22 22 PHE CA C 60.782 0.3 1 88 22 22 PHE CB C 38.204 0.3 1 89 22 22 PHE N N 121.226 0.3 1 90 23 23 TRP H H 9.088 0.020 1 91 23 23 TRP C C 177.411 0.3 1 92 23 23 TRP CA C 59.124 0.3 1 93 23 23 TRP CB C 29.732 0.3 1 94 23 23 TRP N N 120.861 0.3 1 95 24 24 THR H H 8.098 0.020 1 96 24 24 THR C C 176.503 0.3 1 97 24 24 THR CA C 66.972 0.3 1 98 24 24 THR CB C 68.674 0.3 1 99 24 24 THR N N 115.050 0.3 1 100 25 25 TYR H H 7.498 0.020 1 101 25 25 TYR C C 177.153 0.3 1 102 25 25 TYR CA C 60.975 0.3 1 103 25 25 TYR CB C 37.876 0.3 1 104 25 25 TYR N N 123.551 0.3 1 105 26 26 ILE H H 8.365 0.020 1 106 26 26 ILE CA C 62.957 0.3 1 107 26 26 ILE CB C 37.842 0.3 1 108 26 26 ILE N N 120.805 0.3 1 109 27 27 GLN H H 8.143 0.020 1 110 27 27 GLN C C 178.142 0.3 1 111 27 27 GLN CA C 59.568 0.3 1 112 27 27 GLN CB C 28.991 0.3 1 113 27 27 GLN N N 119.595 0.3 1 114 28 28 ALA H H 7.266 0.020 1 115 28 28 ALA C C 181.037 0.3 1 116 28 28 ALA CA C 55.200 0.3 1 117 28 28 ALA CB C 17.442 0.3 1 118 28 28 ALA N N 121.293 0.3 1 119 29 29 MET H H 8.153 0.020 1 120 29 29 MET C C 178.990 0.3 1 121 29 29 MET CA C 59.568 0.3 1 122 29 29 MET CB C 28.991 0.3 1 123 29 29 MET N N 118.785 0.3 1 124 30 30 LEU H H 8.454 0.020 1 125 30 30 LEU CA C 57.347 0.3 1 126 30 30 LEU CB C 41.874 0.3 1 127 30 30 LEU N N 119.104 0.3 1 128 31 31 THR H H 7.630 0.020 1 129 31 31 THR C C 178.449 0.3 1 130 31 31 THR CA C 66.231 0.3 1 131 31 31 THR CB C 68.896 0.3 1 132 31 31 THR N N 115.083 0.3 1 133 32 32 ASN H H 7.212 0.020 1 134 32 32 ASN C C 175.339 0.3 1 135 32 32 ASN CA C 54.904 0.3 1 136 32 32 ASN CB C 40.467 0.3 1 137 32 32 ASN N N 117.526 0.3 1 138 33 33 LEU H H 8.256 0.020 1 139 33 33 LEU C C 177.271 0.3 1 140 33 33 LEU CA C 55.052 0.3 1 141 33 33 LEU CB C 43.132 0.3 1 142 33 33 LEU N N 118.935 0.3 1 143 34 34 GLU H H 8.160 0.020 1 144 34 34 GLU C C 176.915 0.3 1 145 34 34 GLU CA C 61.345 0.3 1 146 34 34 GLU CB C 29.510 0.3 1 147 34 34 GLU N N 117.906 0.3 1 148 35 35 SER H H 8.008 0.020 1 149 35 35 SER C C 172.748 0.3 1 150 35 35 SER CA C 57.273 0.3 1 151 35 35 SER CB C 65.787 0.3 1 152 35 35 SER N N 111.064 0.3 1 153 36 36 LEU H H 8.572 0.020 1 154 36 36 LEU C C 176.093 0.3 1 155 36 36 LEU CA C 53.941 0.3 1 156 36 36 LEU CB C 49.351 0.3 1 157 36 36 LEU N N 117.773 0.3 1 158 37 37 SER H H 8.297 0.020 1 159 37 37 SER C C 174.679 0.3 1 160 37 37 SER CA C 56.903 0.3 1 161 37 37 SER CB C 65.269 0.3 1 162 37 37 SER N N 116.677 0.3 1 163 38 38 LEU H H 9.529 0.020 1 164 38 38 LEU C C 177.755 0.3 1 165 38 38 LEU CA C 58.902 0.3 1 166 38 38 LEU CB C 41.798 0.3 1 167 38 38 LEU N N 121.558 0.3 1 168 39 39 ASP H H 8.488 0.020 1 169 39 39 ASP C C 178.685 0.3 1 170 39 39 ASP CA C 57.569 0.3 1 171 39 39 ASP CB C 40.837 0.3 1 172 39 39 ASP N N 115.183 0.3 1 173 40 40 ARG H H 7.752 0.020 1 174 40 40 ARG C C 179.244 0.3 1 175 40 40 ARG CA C 59.272 0.3 1 176 40 40 ARG CB C 30.324 0.3 1 177 40 40 ARG N N 119.409 0.3 1 178 41 41 ILE H H 8.323 0.020 1 179 41 41 ILE C C 177.836 0.3 1 180 41 41 ILE CA C 66.527 0.3 1 181 41 41 ILE CB C 37.653 0.3 1 182 41 41 ILE N N 120.526 0.3 1 183 42 42 TYR H H 9.090 0.020 1 184 42 42 TYR C C 176.915 0.3 1 185 42 42 TYR CA C 61.937 0.3 1 186 42 42 TYR CB C 37.950 0.3 1 187 42 42 TYR N N 121.304 0.3 1 188 43 43 ASN H H 8.081 0.020 1 189 43 43 ASN C C 178.357 0.3 1 190 43 43 ASN CA C 57.051 0.3 1 191 43 43 ASN CB C 38.468 0.3 1 192 43 43 ASN N N 117.208 0.3 1 193 44 44 MET H H 8.154 0.020 1 194 44 44 MET C C 178.499 0.3 1 195 44 44 MET CA C 59.568 0.3 1 196 44 44 MET CB C 32.397 0.3 1 197 44 44 MET N N 119.093 0.3 1 198 45 45 LEU H H 8.522 0.020 1 199 45 45 LEU C C 178.244 0.3 1 200 45 45 LEU CA C 58.566 0.3 1 201 45 45 LEU CB C 40.300 0.3 1 202 45 45 LEU N N 123.318 0.3 1 203 46 46 ARG H H 7.779 0.020 1 204 46 46 ARG C C 179.242 0.3 1 205 46 46 ARG CA C 57.865 0.3 1 206 46 46 ARG CB C 28.177 0.3 1 207 46 46 ARG N N 115.448 0.3 1 208 47 47 MET H H 7.445 0.020 1 209 47 47 MET C C 177.426 0.3 1 210 47 47 MET CA C 57.643 0.3 1 211 47 47 MET CB C 32.767 0.3 1 212 47 47 MET N N 116.644 0.3 1 213 48 48 PHE H H 8.100 0.020 1 214 48 48 PHE C C 176.915 0.3 1 215 48 48 PHE CA C 60.016 0.3 1 216 48 48 PHE CB C 40.000 0.3 1 217 48 48 PHE N N 121.503 0.3 1 218 49 49 VAL H H 7.584 0.020 1 219 49 49 VAL C C 176.386 0.3 1 220 49 49 VAL CA C 64.232 0.3 1 221 49 49 VAL CB C 31.731 0.3 1 222 49 49 VAL N N 117.706 0.3 1 223 50 50 VAL H H 7.155 0.020 1 224 50 50 VAL C C 176.667 0.3 1 225 50 50 VAL CA C 64.676 0.3 1 226 50 50 VAL CB C 31.657 0.3 1 227 50 50 VAL N N 117.740 0.3 1 228 51 51 THR H H 7.280 0.020 1 229 51 51 THR C C 173.762 0.3 1 230 51 51 THR CA C 62.603 0.3 1 231 51 51 THR CB C 69.193 0.3 1 232 51 51 THR N N 112.020 0.3 1 233 52 52 GLY H H 7.749 0.020 1 234 52 52 GLY C C 171.631 0.3 1 235 52 52 GLY CA C 46.316 0.3 1 236 52 52 GLY N N 110.664 0.3 1 237 54 54 ALA H H 9.343 0.020 1 238 54 54 ALA C C 178.695 0.3 1 239 54 54 ALA CA C 53.728 0.3 1 240 54 54 ALA CB C 17.614 0.3 1 241 54 54 ALA N N 122.802 0.3 1 242 55 55 LEU H H 8.075 0.020 1 243 55 55 LEU C C 177.703 0.3 1 244 55 55 LEU CA C 54.608 0.3 1 245 55 55 LEU CB C 40.911 0.3 1 246 55 55 LEU N N 116.677 0.3 1 247 56 56 ALA H H 7.495 0.020 1 248 56 56 ALA C C 177.559 0.3 1 249 56 56 ALA CA C 54.385 0.3 1 250 56 56 ALA CB C 19.293 0.3 1 251 56 56 ALA N N 120.429 0.3 1 252 57 57 GLU H H 7.964 0.020 1 253 57 57 GLU C C 176.271 0.3 1 254 57 57 GLU CA C 55.792 0.3 1 255 57 57 GLU CB C 29.732 0.3 1 256 57 57 GLU N N 114.367 0.3 1 257 58 58 ILE H H 7.287 0.020 1 258 58 58 ILE C C 175.057 0.3 1 259 58 58 ILE CA C 62.161 0.3 1 260 58 58 ILE CB C 37.653 0.3 1 261 58 58 ILE N N 121.446 0.3 1 262 59 59 ASP H H 8.182 0.020 1 263 59 59 ASP C C 175.633 0.3 1 264 59 59 ASP CA C 52.115 0.3 1 265 59 59 ASP CB C 42.186 0.3 1 266 59 59 ASP N N 128.731 0.3 1 267 60 60 LEU H H 8.086 0.020 1 268 60 60 LEU C C 178.429 0.3 1 269 60 60 LEU CA C 58.976 0.3 1 270 60 60 LEU CB C 42.318 0.3 1 271 60 60 LEU N N 120.496 0.3 1 272 61 61 GLN H H 7.858 0.020 1 273 61 61 GLN C C 179.374 0.3 1 274 61 61 GLN CA C 59.198 0.3 1 275 61 61 GLN CB C 27.881 0.3 1 276 61 61 GLN N N 116.444 0.3 1 277 62 62 GLU H H 8.484 0.020 1 278 62 62 GLU C C 179.821 0.3 1 279 62 62 GLU CA C 59.272 0.3 1 280 62 62 GLU CB C 28.769 0.3 1 281 62 62 GLU N N 123.672 0.3 1 282 63 63 LEU H H 8.418 0.020 1 283 63 63 LEU C C 177.934 0.3 1 284 63 63 LEU CA C 58.013 0.3 1 285 63 63 LEU CB C 41.059 0.3 1 286 63 63 LEU N N 121.351 0.3 1 287 64 64 GLN H H 8.735 0.020 1 288 64 64 GLN C C 178.331 0.3 1 289 64 64 GLN CA C 60.160 0.3 1 290 64 64 GLN CB C 28.547 0.3 1 291 64 64 GLN N N 119.263 0.3 1 292 65 65 GLY H H 8.076 0.020 1 293 65 65 GLY C C 176.262 0.3 1 294 65 65 GLY CA C 47.130 0.3 1 295 65 65 GLY N N 106.447 0.3 1 296 66 66 TYR H H 8.022 0.020 1 297 66 66 TYR C C 178.376 0.3 1 298 66 66 TYR CA C 61.715 0.3 1 299 66 66 TYR CB C 38.320 0.3 1 300 66 66 TYR N N 125.111 0.3 1 301 67 67 LEU H H 8.479 0.020 1 302 67 67 LEU C C 179.213 0.3 1 303 67 67 LEU CA C 57.421 0.3 1 304 67 67 LEU CB C 39.875 0.3 1 305 67 67 LEU N N 118.976 0.3 1 306 68 68 GLN H H 8.506 0.020 1 307 68 68 GLN C C 178.952 0.3 1 308 68 68 GLN CA C 58.680 0.3 1 309 68 68 GLN CB C 27.511 0.3 1 310 68 68 GLN N N 117.714 0.3 1 311 69 69 LYS H H 7.530 0.020 1 312 69 69 LYS C C 178.119 0.3 1 313 69 69 LYS CA C 59.938 0.3 1 314 69 69 LYS CB C 31.212 0.3 1 315 69 69 LYS N N 121.990 0.3 1 316 70 70 LYS H H 6.987 0.020 1 317 70 70 LYS C C 179.196 0.3 1 318 70 70 LYS CA C 57.865 0.3 1 319 70 70 LYS CB C 31.286 0.3 1 320 70 70 LYS N N 117.134 0.3 1 321 71 71 VAL H H 7.928 0.020 1 322 71 71 VAL C C 180.911 0.3 1 323 71 71 VAL CA C 64.824 0.3 1 324 71 71 VAL CB C 31.509 0.3 1 325 71 71 VAL N N 121.093 0.3 1 326 72 72 ARG H H 8.263 0.020 1 327 72 72 ARG CA C 59.716 0.3 1 328 72 72 ARG CB C 29.510 0.3 1 329 72 72 ARG N N 124.179 0.3 1 330 73 73 ASP H H 7.911 0.020 1 331 73 73 ASP CA C 54.682 0.3 1 332 73 73 ASP CB C 40.245 0.3 1 333 73 73 ASP N N 117.574 0.3 1 334 74 74 GLN H H 8.149 0.020 1 335 74 74 GLN CA C 57.421 0.3 1 336 74 74 GLN CB C 25.438 0.3 1 337 74 74 GLN N N 113.202 0.3 1 338 75 75 GLN H H 8.354 0.020 1 339 75 75 GLN CA C 55.644 0.3 1 340 75 75 GLN CB C 30.472 0.3 1 341 75 75 GLN N N 114.452 0.3 1 342 76 76 LEU H H 7.319 0.020 1 343 76 76 LEU CA C 53.423 0.3 1 344 76 76 LEU CB C 48.241 0.3 1 345 76 76 LEU N N 117.241 0.3 1 346 77 77 VAL H H 9.182 0.020 1 347 77 77 VAL C C 173.855 0.3 1 348 77 77 VAL CA C 61.641 0.3 1 349 77 77 VAL CB C 34.618 0.3 1 350 77 77 VAL N N 122.721 0.3 1 351 78 78 TYR H H 8.542 0.020 1 352 78 78 TYR C C 174.515 0.3 1 353 78 78 TYR CA C 55.866 0.3 1 354 78 78 TYR CB C 41.207 0.3 1 355 78 78 TYR N N 126.465 0.3 1 356 79 79 SER H H 8.145 0.020 1 357 79 79 SER C C 173.761 0.3 1 358 79 79 SER CA C 57.421 0.3 1 359 79 79 SER CB C 63.936 0.3 1 360 79 79 SER N N 120.529 0.3 1 361 81 81 GLY H H 7.263 0.020 1 362 81 81 GLY C C 174.207 0.3 1 363 81 81 GLY CA C 45.353 0.3 1 364 81 81 GLY N N 101.119 0.3 1 365 82 82 VAL H H 7.343 0.020 1 366 82 82 VAL C C 172.512 0.3 1 367 82 82 VAL CA C 59.642 0.3 1 368 82 82 VAL CB C 36.173 0.3 1 369 82 82 VAL N N 114.419 0.3 1 370 83 83 TYR H H 8.744 0.020 1 371 83 83 TYR C C 175.293 0.3 1 372 83 83 TYR CA C 57.476 0.3 1 373 83 83 TYR CB C 40.615 0.3 1 374 83 83 TYR N N 119.147 0.3 1 375 84 84 ARG H H 8.916 0.020 1 376 84 84 ARG C C 174.931 0.3 1 377 84 84 ARG CA C 54.460 0.3 1 378 84 84 ARG CB C 34.988 0.3 1 379 84 84 ARG N N 115.880 0.3 1 380 85 85 LEU H H 8.860 0.020 1 381 85 85 LEU C C 175.540 0.3 1 382 85 85 LEU CA C 53.645 0.3 1 383 85 85 LEU CB C 40.393 0.3 1 384 85 85 LEU N N 120.662 0.3 1 385 87 87 LYS H H 8.212 0.020 1 386 87 87 LYS CA C 56.088 0.3 1 387 87 87 LYS CB C 33.359 0.3 1 388 87 87 LYS N N 121.160 0.3 1 389 88 88 ASN H H 8.485 0.020 1 390 88 88 ASN CA C 53.497 0.3 1 391 88 88 ASN CB C 38.764 0.3 1 392 88 88 ASN N N 120.396 0.3 1 393 89 89 CYS H H 8.280 0.020 1 394 89 89 CYS CA C 58.383 0.3 1 395 89 89 CYS CB C 28.473 0.3 1 396 89 89 CYS N N 119.566 0.3 1 397 90 90 SER H H 7.963 0.020 1 398 90 90 SER CA C 60.086 0.3 1 399 90 90 SER CB C 64.824 0.3 1 400 90 90 SER N N 123.185 0.3 1 stop_ save_