data_26785 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; APC11 in complex with Ubiquitin Variant ; _BMRB_accession_number 26785 _BMRB_flat_file_name bmr26785.str _Entry_type original _Submission_date 2016-04-21 _Accession_date 2016-04-21 _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 Grace Christy R. . 2 Brown Nicholas G. . 3 Schulamn Brenda A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "13C chemical shifts" 198 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26783 UBv 26784 UBv-APC11 stop_ _Original_release_date 2016-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27259151 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 Weissmann Florian . . 5 Ordureau Alban . . 6 Wu Kuen-Phon P. . 7 Zhang Wei . . 8 Yu Shanshan . . 9 Mercredi Peter Y. . 10 Harrison Joseph S. . 11 Davidson Iain F. . 12 Qiao Renping . . 13 Lu Ying . . 14 Dube Prakash . . 15 Brunner Michael R. . 16 Grace Christy . . 17 Miller Darcie J. . 18 Haselbach David . . 19 Jarvis Marc A. . 20 Yamaguchi Masaya . . 21 Yanishevski David . . 22 Petzold Georg . . 23 Sidhu Sachdev S. . 24 Kuhlman Brian . . 25 Kirschner Marc W. . 26 Harper 'J Wade' W. . 27 Peters Jan-Michael M. . 28 Stark Holger . . 29 Schulman Brenda A. . stop_ _Journal_abbreviation Cell _Journal_name_full Cell _Journal_volume 165 _Journal_issue 6 _Journal_ISSN 1097-4172 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1440 _Page_last 1453 _Year 2016 _Details . loop_ _Keyword APC11 RING Ubiquitination stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name APC11-UBv _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label APC11-UBv $APC11-UBv 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_APC11-UBv _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common APC11-UBv _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSVANDENCGICRMAFNGCC PDCKVPGDDCPLVWGQCSHC FHMHCILKWLHAQQVQQHCP MCRQEWKFKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 VAL 4 4 ALA 5 5 ASN 6 6 ASP 7 7 GLU 8 8 ASN 9 9 CYS 10 10 GLY 11 11 ILE 12 12 CYS 13 13 ARG 14 14 MET 15 15 ALA 16 16 PHE 17 17 ASN 18 18 GLY 19 19 CYS 20 20 CYS 21 21 PRO 22 22 ASP 23 23 CYS 24 24 LYS 25 25 VAL 26 26 PRO 27 27 GLY 28 28 ASP 29 29 ASP 30 30 CYS 31 31 PRO 32 32 LEU 33 33 VAL 34 34 TRP 35 35 GLY 36 36 GLN 37 37 CYS 38 38 SER 39 39 HIS 40 40 CYS 41 41 PHE 42 42 HIS 43 43 MET 44 44 HIS 45 45 CYS 46 46 ILE 47 47 LEU 48 48 LYS 49 49 TRP 50 50 LEU 51 51 HIS 52 52 ALA 53 53 GLN 54 54 GLN 55 55 VAL 56 56 GLN 57 57 GLN 58 58 HIS 59 59 CYS 60 60 PRO 61 61 MET 62 62 CYS 63 63 ARG 64 64 GLN 65 65 GLU 66 66 TRP 67 67 LYS 68 68 PHE 69 69 LYS 70 70 GLU 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 $APC11-UBv humans 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 $APC11-UBv 'recombinant technology' . Escherichia coli . BL21 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 $APC11-UBv 0.5 mM '[U-100% 13C; U-100% 15N]' UBv 0.5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_ ############################# # 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_ save_3D_1H-15N_NOESY_7 _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' 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 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' '3D HNCACB' '3D HNCO' '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 APC11-UBv _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 1 1 GLY CA C 46.957 0.3 1 2 2 2 SER CA C 58.322 0.3 1 3 2 2 SER CB C 64.169 0.3 1 4 3 3 VAL H H 8.156 0.020 1 5 3 3 VAL C C 175.879 0.3 1 6 3 3 VAL CA C 62.138 0.3 1 7 3 3 VAL CB C 32.958 0.3 1 8 3 3 VAL N N 121.226 0.3 1 9 4 4 ALA H H 8.286 0.020 1 10 4 4 ALA C C 177.497 0.3 1 11 4 4 ALA CA C 52.439 0.3 1 12 4 4 ALA CB C 19.424 0.3 1 13 4 4 ALA N N 127.336 0.3 1 14 5 5 ASN H H 8.246 0.020 1 15 5 5 ASN C C 175.048 0.3 1 16 5 5 ASN CA C 53.725 0.3 1 17 5 5 ASN CB C 39.197 0.3 1 18 5 5 ASN N N 117.745 0.3 1 19 6 6 ASP H H 8.210 0.020 1 20 6 6 ASP C C 176.269 0.3 1 21 6 6 ASP CA C 54.497 0.3 1 22 6 6 ASP CB C 41.104 0.3 1 23 6 6 ASP N N 119.908 0.3 1 24 7 7 GLU H H 8.068 0.020 1 25 7 7 GLU C C 175.006 0.3 1 26 7 7 GLU CA C 56.689 0.3 1 27 7 7 GLU CB C 30.379 0.3 1 28 7 7 GLU N N 119.077 0.3 1 29 8 8 ASN H H 7.489 0.020 1 30 8 8 ASN C C 172.706 0.3 1 31 8 8 ASN CA C 51.165 0.3 1 32 8 8 ASN CB C 40.702 0.3 1 33 8 8 ASN N N 116.840 0.3 1 34 9 9 CYS H H 7.563 0.020 1 35 9 9 CYS C C 178.370 0.3 1 36 9 9 CYS CA C 59.552 0.3 1 37 9 9 CYS CB C 31.526 0.3 1 38 9 9 CYS N N 122.867 0.3 1 39 10 10 GLY H H 9.231 0.020 1 40 10 10 GLY C C 174.111 0.3 1 41 10 10 GLY CA C 46.967 0.3 1 42 10 10 GLY N N 117.330 0.3 1 43 11 11 ILE H H 8.247 0.020 1 44 11 11 ILE C C 176.121 0.3 1 45 11 11 ILE CA C 64.041 0.3 1 46 11 11 ILE CB C 39.411 0.3 1 47 11 11 ILE N N 119.716 0.3 1 48 12 12 CYS H H 7.567 0.020 1 49 12 12 CYS C C 175.975 0.3 1 50 12 12 CYS CA C 59.225 0.3 1 51 12 12 CYS CB C 32.246 0.3 1 52 12 12 CYS N N 116.656 0.3 1 53 13 13 ARG H H 7.968 0.020 1 54 13 13 ARG C C 174.979 0.3 1 55 13 13 ARG CA C 57.636 0.3 1 56 13 13 ARG CB C 26.326 0.3 1 57 13 13 ARG N N 116.085 0.3 1 58 14 14 MET H H 8.624 0.020 1 59 14 14 MET C C 176.143 0.3 1 60 14 14 MET CA C 54.448 0.3 1 61 14 14 MET CB C 33.951 0.3 1 62 14 14 MET N N 119.313 0.3 1 63 15 15 ALA H H 7.958 0.020 1 64 15 15 ALA C C 180.117 0.3 1 65 15 15 ALA CA C 52.813 0.3 1 66 15 15 ALA CB C 19.487 0.3 1 67 15 15 ALA N N 122.599 0.3 1 68 16 16 PHE H H 8.079 0.020 1 69 16 16 PHE C C 176.423 0.3 1 70 16 16 PHE CA C 59.420 0.3 1 71 16 16 PHE CB C 38.390 0.3 1 72 16 16 PHE N N 119.194 0.3 1 73 17 17 ASN H H 7.815 0.020 1 74 17 17 ASN C C 175.337 0.3 1 75 17 17 ASN CA C 52.961 0.3 1 76 17 17 ASN CB C 37.174 0.3 1 77 17 17 ASN N N 112.218 0.3 1 78 18 18 GLY H H 7.570 0.020 1 79 18 18 GLY C C 173.759 0.3 1 80 18 18 GLY CA C 44.464 0.3 1 81 18 18 GLY N N 107.707 0.3 1 82 19 19 CYS H H 8.203 0.020 1 83 19 19 CYS C C 174.039 0.3 1 84 19 19 CYS CA C 58.433 0.3 1 85 19 19 CYS CB C 30.681 0.3 1 86 19 19 CYS N N 117.050 0.3 1 87 20 20 CYS H H 8.416 0.020 1 88 20 20 CYS C C 173.736 0.3 1 89 20 20 CYS CA C 57.999 0.3 1 90 20 20 CYS CB C 28.205 0.3 1 91 20 20 CYS N N 123.804 0.3 1 92 21 21 PRO CA C 65.426 0.3 1 93 21 21 PRO CB C 32.801 0.3 1 94 22 22 ASP H H 8.403 0.020 1 95 22 22 ASP C C 176.501 0.3 1 96 22 22 ASP CA C 55.017 0.3 1 97 22 22 ASP CB C 42.522 0.3 1 98 22 22 ASP N N 117.101 0.3 1 99 23 23 CYS H H 7.229 0.020 1 100 23 23 CYS C C 175.214 0.3 1 101 23 23 CYS CA C 61.633 0.3 1 102 23 23 CYS CB C 31.542 0.3 1 103 23 23 CYS N N 123.245 0.3 1 104 24 24 LYS H H 8.169 0.020 1 105 24 24 LYS C C 177.106 0.3 1 106 24 24 LYS CA C 56.764 0.3 1 107 24 24 LYS CB C 34.615 0.3 1 108 24 24 LYS N N 117.420 0.3 1 109 25 25 VAL H H 7.775 0.020 1 110 25 25 VAL C C 174.027 0.3 1 111 25 25 VAL CA C 59.523 0.3 1 112 25 25 VAL CB C 33.507 0.3 1 113 25 25 VAL N N 120.554 0.3 1 114 26 26 PRO CA C 63.279 0.3 1 115 26 26 PRO CB C 32.077 0.3 1 116 27 27 GLY H H 8.556 0.020 1 117 27 27 GLY C C 175.169 0.3 1 118 27 27 GLY CA C 45.042 0.3 1 119 27 27 GLY N N 109.843 0.3 1 120 28 28 ASP H H 8.227 0.020 1 121 28 28 ASP C C 176.602 0.3 1 122 28 28 ASP CA C 56.559 0.3 1 123 28 28 ASP CB C 40.912 0.3 1 124 28 28 ASP N N 122.449 0.3 1 125 29 29 ASP H H 8.291 0.020 1 126 29 29 ASP C C 175.505 0.3 1 127 29 29 ASP CA C 55.266 0.3 1 128 29 29 ASP CB C 41.225 0.3 1 129 29 29 ASP N N 117.452 0.3 1 130 30 30 CYS H H 7.915 0.020 1 131 30 30 CYS C C 171.755 0.3 1 132 30 30 CYS CA C 58.058 0.3 1 133 30 30 CYS CB C 29.154 0.3 1 134 30 30 CYS N N 124.220 0.3 1 135 31 31 PRO CA C 62.875 0.3 1 136 31 31 PRO CB C 33.984 0.3 1 137 32 32 LEU H H 8.643 0.020 1 138 32 32 LEU C C 176.554 0.3 1 139 32 32 LEU CA C 53.921 0.3 1 140 32 32 LEU CB C 43.336 0.3 1 141 32 32 LEU N N 120.262 0.3 1 142 33 33 VAL H H 8.439 0.020 1 143 33 33 VAL C C 172.315 0.3 1 144 33 33 VAL CA C 59.829 0.3 1 145 33 33 VAL CB C 36.448 0.3 1 146 33 33 VAL N N 112.433 0.3 1 147 34 34 TRP H H 9.000 0.020 1 148 34 34 TRP C C 176.591 0.3 1 149 34 34 TRP CA C 57.513 0.3 1 150 34 34 TRP CB C 33.780 0.3 1 151 34 34 TRP N N 120.329 0.3 1 152 35 35 GLY H H 8.670 0.020 1 153 35 35 GLY C C 177.144 0.3 1 154 35 35 GLY CA C 44.070 0.3 1 155 35 35 GLY N N 106.826 0.3 1 156 36 36 GLN H H 7.923 0.020 1 157 36 36 GLN C C 175.909 0.3 1 158 36 36 GLN CA C 58.262 0.3 1 159 36 36 GLN CB C 27.631 0.3 1 160 36 36 GLN N N 122.576 0.3 1 161 37 37 CYS H H 7.636 0.020 1 162 37 37 CYS C C 175.117 0.3 1 163 37 37 CYS CA C 58.807 0.3 1 164 37 37 CYS CB C 31.143 0.3 1 165 37 37 CYS N N 116.261 0.3 1 166 38 38 SER H H 7.759 0.020 1 167 38 38 SER C C 173.389 0.3 1 168 38 38 SER CA C 62.285 0.3 1 169 38 38 SER N N 114.474 0.3 1 170 39 39 HIS H H 7.930 0.020 1 171 39 39 HIS C C 172.463 0.3 1 172 39 39 HIS CA C 61.320 0.3 1 173 39 39 HIS CB C 31.523 0.3 1 174 39 39 HIS N N 121.942 0.3 1 175 40 40 CYS H H 8.061 0.020 1 176 40 40 CYS C C 172.149 0.3 1 177 40 40 CYS CA C 55.504 0.3 1 178 40 40 CYS CB C 28.964 0.3 1 179 40 40 CYS N N 121.951 0.3 1 180 41 41 PHE H H 8.288 0.020 1 181 41 41 PHE C C 176.739 0.3 1 182 41 41 PHE CA C 56.033 0.3 1 183 41 41 PHE CB C 45.760 0.3 1 184 41 41 PHE N N 120.496 0.3 1 185 42 42 HIS H H 8.315 0.020 1 186 42 42 HIS C C 177.464 0.3 1 187 42 42 HIS CA C 60.425 0.3 1 188 42 42 HIS CB C 29.740 0.3 1 189 42 42 HIS N N 117.057 0.3 1 190 43 43 MET H H 9.522 0.020 1 191 43 43 MET C C 177.845 0.3 1 192 43 43 MET CA C 59.625 0.3 1 193 43 43 MET CB C 33.009 0.3 1 194 43 43 MET N N 128.306 0.3 1 195 44 44 HIS H H 9.698 0.020 1 196 44 44 HIS C C 177.531 0.3 1 197 44 44 HIS CA C 59.046 0.3 1 198 44 44 HIS CB C 32.747 0.3 1 199 44 44 HIS N N 116.814 0.3 1 200 45 45 CYS H H 6.792 0.020 1 201 45 45 CYS C C 177.715 0.3 1 202 45 45 CYS CA C 63.235 0.3 1 203 45 45 CYS CB C 29.102 0.3 1 204 45 45 CYS N N 116.180 0.3 1 205 46 46 ILE H H 7.679 0.020 1 206 46 46 ILE C C 176.613 0.3 1 207 46 46 ILE CA C 59.897 0.3 1 208 46 46 ILE CB C 37.319 0.3 1 209 46 46 ILE N N 118.187 0.3 1 210 47 47 LEU H H 8.226 0.020 1 211 47 47 LEU C C 178.729 0.3 1 212 47 47 LEU CA C 58.262 0.3 1 213 47 47 LEU CB C 41.123 0.3 1 214 47 47 LEU N N 122.548 0.3 1 215 48 48 LYS H H 7.198 0.020 1 216 48 48 LYS C C 179.743 0.3 1 217 48 48 LYS CA C 60.442 0.3 1 218 48 48 LYS CB C 32.198 0.3 1 219 48 48 LYS N N 118.587 0.3 1 220 49 49 TRP H H 7.329 0.020 1 221 49 49 TRP C C 178.010 0.3 1 222 49 49 TRP CA C 60.545 0.3 1 223 49 49 TRP CB C 28.734 0.3 1 224 49 49 TRP N N 119.692 0.3 1 225 50 50 LEU H H 8.592 0.020 1 226 50 50 LEU C C 180.240 0.3 1 227 50 50 LEU CA C 57.817 0.3 1 228 50 50 LEU CB C 42.361 0.3 1 229 50 50 LEU N N 118.068 0.3 1 230 51 51 HIS H H 8.301 0.020 1 231 51 51 HIS C C 177.089 0.3 1 232 51 51 HIS CA C 60.749 0.3 1 233 51 51 HIS CB C 31.015 0.3 1 234 51 51 HIS N N 116.358 0.3 1 235 52 52 ALA H H 6.899 0.020 1 236 52 52 ALA C C 178.453 0.3 1 237 52 52 ALA CA C 52.865 0.3 1 238 52 52 ALA CB C 18.951 0.3 1 239 52 52 ALA N N 117.533 0.3 1 240 53 53 GLN H H 7.001 0.020 1 241 53 53 GLN C C 177.107 0.3 1 242 53 53 GLN CA C 57.207 0.3 1 243 53 53 GLN CB C 29.735 0.3 1 244 53 53 GLN N N 116.637 0.3 1 245 54 54 GLN H H 8.865 0.020 1 246 54 54 GLN C C 175.301 0.3 1 247 54 54 GLN CA C 55.399 0.3 1 248 54 54 GLN CB C 29.350 0.3 1 249 54 54 GLN N N 122.116 0.3 1 250 55 55 VAL H H 6.735 0.020 1 251 55 55 VAL C C 173.882 0.3 1 252 55 55 VAL CA C 59.520 0.3 1 253 55 55 VAL CB C 34.431 0.3 1 254 55 55 VAL N N 111.544 0.3 1 255 56 56 GLN H H 7.931 0.020 1 256 56 56 GLN C C 176.259 0.3 1 257 56 56 GLN CA C 55.842 0.3 1 258 56 56 GLN CB C 28.426 0.3 1 259 56 56 GLN N N 118.984 0.3 1 260 57 57 GLN H H 8.314 0.020 1 261 57 57 GLN C C 177.789 0.3 1 262 57 57 GLN CA C 56.559 0.3 1 263 57 57 GLN CB C 28.793 0.3 1 264 57 57 GLN N N 124.776 0.3 1 265 58 58 HIS H H 8.692 0.020 1 266 58 58 HIS C C 172.592 0.3 1 267 58 58 HIS CA C 54.822 0.3 1 268 58 58 HIS CB C 31.904 0.3 1 269 58 58 HIS N N 120.725 0.3 1 270 59 59 CYS H H 9.020 0.020 1 271 59 59 CYS C C 176.075 0.3 1 272 59 59 CYS CA C 56.591 0.3 1 273 59 59 CYS CB C 32.642 0.3 1 274 59 59 CYS N N 121.900 0.3 1 275 60 60 PRO CA C 64.661 0.3 1 276 60 60 PRO CB C 29.939 0.3 1 277 61 61 MET H H 9.007 0.020 1 278 61 61 MET C C 177.117 0.3 1 279 61 61 MET CA C 56.832 0.3 1 280 61 61 MET CB C 32.940 0.3 1 281 61 61 MET N N 118.068 0.3 1 282 62 62 CYS H H 8.092 0.020 1 283 62 62 CYS C C 175.928 0.3 1 284 62 62 CYS CA C 58.535 0.3 1 285 62 62 CYS CB C 32.776 0.3 1 286 62 62 CYS N N 117.158 0.3 1 287 63 63 ARG H H 8.129 0.020 1 288 63 63 ARG C C 175.326 0.3 1 289 63 63 ARG CA C 58.533 0.3 1 290 63 63 ARG CB C 27.136 0.3 1 291 63 63 ARG N N 117.104 0.3 1 292 64 64 GLN H H 8.101 0.020 1 293 64 64 GLN C C 176.186 0.3 1 294 64 64 GLN CA C 56.764 0.3 1 295 64 64 GLN CB C 30.083 0.3 1 296 64 64 GLN N N 119.508 0.3 1 297 65 65 GLU H H 8.692 0.020 1 298 65 65 GLU C C 176.941 0.3 1 299 65 65 GLU CA C 58.092 0.3 1 300 65 65 GLU CB C 29.900 0.3 1 301 65 65 GLU N N 121.891 0.3 1 302 66 66 TRP H H 8.217 0.020 1 303 66 66 TRP C C 176.444 0.3 1 304 66 66 TRP CA C 57.625 0.3 1 305 66 66 TRP CB C 29.358 0.3 1 306 66 66 TRP N N 125.497 0.3 1 307 67 67 LYS H H 6.547 0.020 1 308 67 67 LYS C C 175.006 0.3 1 309 67 67 LYS CA C 55.538 0.3 1 310 67 67 LYS CB C 37.976 0.3 1 311 67 67 LYS N N 125.016 0.3 1 312 68 68 PHE H H 9.023 0.020 1 313 68 68 PHE C C 175.596 0.3 1 314 68 68 PHE CA C 59.691 0.3 1 315 68 68 PHE CB C 40.359 0.3 1 316 68 68 PHE N N 119.763 0.3 1 317 69 69 LYS H H 8.870 0.020 1 318 69 69 LYS C C 175.264 0.3 1 319 69 69 LYS CA C 57.409 0.3 1 320 69 69 LYS CB C 33.361 0.3 1 321 69 69 LYS N N 123.131 0.3 1 322 70 70 GLU H H 7.765 0.020 1 323 70 70 GLU C C 180.056 0.3 1 324 70 70 GLU CA C 56.659 0.3 1 325 70 70 GLU CB C 31.904 0.3 1 326 70 70 GLU N N 124.436 0.3 1 stop_ save_