data_26784 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ubiquitin Variant in complex with APC11 ; _BMRB_accession_number 26784 _BMRB_flat_file_name bmr26784.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" 75 "13C chemical shifts" 220 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26783 UBv 26785 APC11-UBv 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UBv-APC11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBv-APC11 $UBv-APC11 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_UBv-APC11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBv-APC11 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSGGSGMQILVKTPRGKTIT LEVEPSDTIENVKAKIQDKE GIPPDQQILFFAVKRLEDGR TLSDYNIQKKSSLLLAMRVP GKMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 GLY 4 -2 GLY 5 -1 SER 6 0 GLY 7 1 MET 8 2 GLN 9 3 ILE 10 4 LEU 11 5 VAL 12 6 LYS 13 7 THR 14 8 PRO 15 9 ARG 16 10 GLY 17 11 LYS 18 12 THR 19 13 ILE 20 14 THR 21 15 LEU 22 16 GLU 23 17 VAL 24 18 GLU 25 19 PRO 26 20 SER 27 21 ASP 28 22 THR 29 23 ILE 30 24 GLU 31 25 ASN 32 26 VAL 33 27 LYS 34 28 ALA 35 29 LYS 36 30 ILE 37 31 GLN 38 32 ASP 39 33 LYS 40 34 GLU 41 35 GLY 42 36 ILE 43 37 PRO 44 38 PRO 45 39 ASP 46 40 GLN 47 41 GLN 48 42 ILE 49 43 LEU 50 44 PHE 51 45 PHE 52 46 ALA 53 47 VAL 54 48 LYS 55 49 ARG 56 50 LEU 57 51 GLU 58 52 ASP 59 53 GLY 60 54 ARG 61 55 THR 62 56 LEU 63 57 SER 64 58 ASP 65 59 TYR 66 60 ASN 67 61 ILE 68 62 GLN 69 63 LYS 70 64 LYS 71 65 SER 72 66 SER 73 67 LEU 74 68 LEU 75 69 LEU 76 70 ALA 77 71 MET 78 72 ARG 79 73 VAL 80 74 PRO 81 75 GLY 82 76 LYS 83 77 MET 84 78 LYS 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 $UBv-APC11 . . . . . . 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 $UBv-APC11 '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 $UBv-APC11 0.1 mM '[U-100% 13C; U-100% 15N]' APC11 0.1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 100 mM '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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 HNCA' '3D HNCO' 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 UBv-APC11 _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 -2 4 GLY H H 8.252 0.020 1 2 -2 4 GLY CA C 45.220 0.3 1 3 -2 4 GLY N N 108.985 0.3 1 4 -1 5 SER H H 8.562 0.020 1 5 -1 5 SER CA C 58.520 0.3 1 6 -1 5 SER CB C 64.089 0.3 1 7 -1 5 SER N N 116.120 0.3 1 8 0 6 GLY H H 8.419 0.020 1 9 0 6 GLY C C 173.399 0.3 1 10 0 6 GLY CA C 45.525 0.3 1 11 0 6 GLY N N 110.604 0.3 1 12 1 7 MET H H 8.714 0.020 1 13 1 7 MET CA C 55.574 0.3 1 14 1 7 MET CB C 34.321 0.3 1 15 1 7 MET N N 120.242 0.3 1 16 2 8 GLN H H 7.738 0.020 1 17 2 8 GLN C C 176.157 0.3 1 18 2 8 GLN CA C 54.248 0.3 1 19 2 8 GLN CB C 31.496 0.3 1 20 2 8 GLN N N 121.526 0.3 1 21 3 9 ILE H H 8.547 0.020 1 22 3 9 ILE C C 172.847 0.3 1 23 3 9 ILE CA C 59.814 0.3 1 24 3 9 ILE CB C 41.692 0.3 1 25 3 9 ILE N N 115.084 0.3 1 26 4 10 LEU H H 8.545 0.020 1 27 4 10 LEU C C 176.348 0.3 1 28 4 10 LEU CA C 53.432 0.3 1 29 4 10 LEU CB C 43.429 0.3 1 30 4 10 LEU N N 122.365 0.3 1 31 5 11 VAL H H 9.019 0.020 1 32 5 11 VAL C C 174.750 0.3 1 33 5 11 VAL CA C 60.742 0.3 1 34 5 11 VAL CB C 34.434 0.3 1 35 5 11 VAL N N 120.058 0.3 1 36 6 12 LYS H H 8.804 0.020 1 37 6 12 LYS C C 175.184 0.3 1 38 6 12 LYS CA C 55.949 0.3 1 39 6 12 LYS CB C 32.958 0.3 1 40 6 12 LYS N N 129.758 0.3 1 41 7 13 THR H H 8.228 0.020 1 42 7 13 THR C C 176.870 0.3 1 43 7 13 THR CA C 60.581 0.3 1 44 7 13 THR CB C 68.515 0.3 1 45 7 13 THR N N 115.091 0.3 1 46 8 14 PRO C C 176.659 0.3 1 47 8 14 PRO CA C 65.655 0.3 1 48 8 14 PRO CB C 31.915 0.3 1 49 9 15 ARG H H 7.743 0.020 1 50 9 15 ARG C C 176.546 0.3 1 51 9 15 ARG CA C 56.664 0.3 1 52 9 15 ARG CB C 29.635 0.3 1 53 9 15 ARG N N 111.520 0.3 1 54 10 16 GLY H H 8.091 0.020 1 55 10 16 GLY C C 173.526 0.3 1 56 10 16 GLY CA C 45.152 0.3 1 57 10 16 GLY N N 107.949 0.3 1 58 11 17 LYS H H 6.413 0.020 1 59 11 17 LYS C C 176.485 0.3 1 60 11 17 LYS CA C 54.109 0.3 1 61 11 17 LYS CB C 33.944 0.3 1 62 11 17 LYS N N 117.832 0.3 1 63 12 18 THR H H 8.914 0.020 1 64 12 18 THR C C 174.790 0.3 1 65 12 18 THR CA C 62.590 0.3 1 66 12 18 THR CB C 69.550 0.3 1 67 12 18 THR N N 122.112 0.3 1 68 13 19 ILE H H 9.007 0.020 1 69 13 19 ILE C C 174.158 0.3 1 70 13 19 ILE CA C 59.354 0.3 1 71 13 19 ILE CB C 40.612 0.3 1 72 13 19 ILE N N 122.543 0.3 1 73 14 20 THR H H 8.311 0.020 1 74 14 20 THR C C 173.988 0.3 1 75 14 20 THR CA C 61.160 0.3 1 76 14 20 THR CB C 69.804 0.3 1 77 14 20 THR N N 115.854 0.3 1 78 15 21 LEU H H 8.841 0.020 1 79 15 21 LEU C C 175.175 0.3 1 80 15 21 LEU CA C 52.770 0.3 1 81 15 21 LEU CB C 46.303 0.3 1 82 15 21 LEU N N 124.515 0.3 1 83 16 22 GLU H H 8.286 0.020 1 84 16 22 GLU C C 175.750 0.3 1 85 16 22 GLU CA C 55.983 0.3 1 86 16 22 GLU CB C 29.435 0.3 1 87 16 22 GLU N N 123.263 0.3 1 88 17 23 VAL H H 8.427 0.020 1 89 17 23 VAL C C 173.665 0.3 1 90 17 23 VAL CA C 58.651 0.3 1 91 17 23 VAL CB C 36.360 0.3 1 92 17 23 VAL N N 116.580 0.3 1 93 18 24 GLU H H 8.401 0.020 1 94 18 24 GLU CA C 53.019 0.3 1 95 18 24 GLU CB C 31.110 0.3 1 96 18 24 GLU N N 117.832 0.3 1 97 19 25 PRO C C 175.437 0.3 1 98 19 25 PRO CA C 65.300 0.3 1 99 19 25 PRO CB C 31.692 0.3 1 100 20 26 SER H H 7.005 0.020 1 101 20 26 SER C C 174.560 0.3 1 102 20 26 SER CA C 57.209 0.3 1 103 20 26 SER CB C 63.360 0.3 1 104 20 26 SER N N 103.674 0.3 1 105 21 27 ASP H H 7.959 0.020 1 106 21 27 ASP C C 176.423 0.3 1 107 21 27 ASP CA C 56.012 0.3 1 108 21 27 ASP CB C 40.810 0.3 1 109 21 27 ASP N N 123.877 0.3 1 110 22 28 THR H H 7.771 0.020 1 111 22 28 THR C C 176.670 0.3 1 112 22 28 THR CA C 59.700 0.3 1 113 22 28 THR CB C 71.200 0.3 1 114 22 28 THR N N 109.334 0.3 1 115 23 29 ILE H H 8.416 0.020 1 116 23 29 ILE CA C 62.330 0.3 1 117 23 29 ILE CB C 34.480 0.3 1 118 23 29 ILE N N 121.231 0.3 1 119 24 30 GLU H H 10.168 0.020 1 120 24 30 GLU C C 179.012 0.3 1 121 24 30 GLU CA C 60.683 0.3 1 122 24 30 GLU CB C 28.490 0.3 1 123 24 30 GLU N N 121.319 0.3 1 124 25 31 ASN H H 7.857 0.020 1 125 25 31 ASN C C 178.411 0.3 1 126 25 31 ASN CA C 55.899 0.3 1 127 25 31 ASN CB C 38.148 0.3 1 128 25 31 ASN N N 121.613 0.3 1 129 26 32 VAL H H 8.071 0.020 1 130 26 32 VAL C C 177.850 0.3 1 131 26 32 VAL CA C 67.630 0.3 1 132 26 32 VAL CB C 30.790 0.3 1 133 26 32 VAL N N 122.251 0.3 1 134 27 33 LYS H H 8.563 0.020 1 135 27 33 LYS C C 180.337 0.3 1 136 27 33 LYS CA C 59.210 0.3 1 137 27 33 LYS CB C 33.670 0.3 1 138 27 33 LYS N N 119.233 0.3 1 139 28 34 ALA H H 7.844 0.020 1 140 28 34 ALA C C 180.337 0.3 1 141 28 34 ALA CA C 55.400 0.3 1 142 28 34 ALA CB C 17.720 0.3 1 143 28 34 ALA N N 123.577 0.3 1 144 29 35 LYS H H 7.728 0.020 1 145 29 35 LYS C C 180.250 0.3 1 146 29 35 LYS CA C 59.559 0.3 1 147 29 35 LYS CB C 33.330 0.3 1 148 29 35 LYS N N 120.261 0.3 1 149 30 36 ILE H H 8.374 0.020 1 150 30 36 ILE C C 178.160 0.3 1 151 30 36 ILE CA C 65.894 0.3 1 152 30 36 ILE CB C 36.760 0.3 1 153 30 36 ILE N N 120.959 0.3 1 154 31 37 GLN H H 8.591 0.020 1 155 31 37 GLN C C 178.627 0.3 1 156 31 37 GLN CA C 60.020 0.3 1 157 31 37 GLN CB C 27.690 0.3 1 158 31 37 GLN N N 123.847 0.3 1 159 32 38 ASP H H 7.641 0.020 1 160 32 38 ASP C C 177.055 0.3 1 161 32 38 ASP CA C 57.360 0.3 1 162 32 38 ASP CB C 40.880 0.3 1 163 32 38 ASP N N 119.037 0.3 1 164 33 39 LYS H H 7.324 0.020 1 165 33 39 LYS C C 177.790 0.3 1 166 33 39 LYS CA C 57.822 0.3 1 167 33 39 LYS CB C 33.902 0.3 1 168 33 39 LYS N N 115.521 0.3 1 169 34 40 GLU H H 8.886 0.020 1 170 34 40 GLU C C 178.041 0.3 1 171 34 40 GLU CA C 55.443 0.3 1 172 34 40 GLU CB C 33.352 0.3 1 173 34 40 GLU N N 114.432 0.3 1 174 35 41 GLY H H 8.313 0.020 1 175 35 41 GLY C C 173.870 0.3 1 176 35 41 GLY CA C 46.050 0.3 1 177 35 41 GLY N N 108.553 0.3 1 178 36 42 ILE H H 6.042 0.020 1 179 36 42 ILE CA C 58.159 0.3 1 180 36 42 ILE CB C 40.500 0.3 1 181 36 42 ILE N N 119.730 0.3 1 182 38 44 PRO C C 177.979 0.3 1 183 38 44 PRO CA C 66.140 0.3 1 184 38 44 PRO CB C 32.830 0.3 1 185 39 45 ASP H H 8.441 0.020 1 186 39 45 ASP C C 176.716 0.3 1 187 39 45 ASP CA C 55.506 0.3 1 188 39 45 ASP CB C 39.700 0.3 1 189 39 45 ASP N N 113.407 0.3 1 190 40 46 GLN H H 7.885 0.020 1 191 40 46 GLN C C 174.374 0.3 1 192 40 46 GLN CA C 55.812 0.3 1 193 40 46 GLN CB C 30.080 0.3 1 194 40 46 GLN N N 117.026 0.3 1 195 41 47 GLN H H 7.288 0.020 1 196 41 47 GLN C C 176.623 0.3 1 197 41 47 GLN CA C 56.085 0.3 1 198 41 47 GLN CB C 31.560 0.3 1 199 41 47 GLN N N 118.088 0.3 1 200 42 48 ILE H H 8.762 0.020 1 201 42 48 ILE C C 173.464 0.3 1 202 42 48 ILE CA C 61.466 0.3 1 203 42 48 ILE CB C 39.893 0.3 1 204 42 48 ILE N N 121.423 0.3 1 205 43 49 LEU H H 8.316 0.020 1 206 43 49 LEU C C 174.913 0.3 1 207 43 49 LEU CA C 52.577 0.3 1 208 43 49 LEU CB C 46.650 0.3 1 209 43 49 LEU N N 125.327 0.3 1 210 44 50 PHE H H 9.111 0.020 1 211 44 50 PHE C C 175.653 0.3 1 212 44 50 PHE CA C 55.949 0.3 1 213 44 50 PHE CB C 43.429 0.3 1 214 44 50 PHE N N 116.824 0.3 1 215 45 51 PHE H H 8.838 0.020 1 216 45 51 PHE C C 175.159 0.3 1 217 45 51 PHE CA C 54.688 0.3 1 218 45 51 PHE CB C 41.599 0.3 1 219 45 51 PHE N N 121.354 0.3 1 220 46 52 ALA H H 9.538 0.020 1 221 46 52 ALA C C 176.315 0.3 1 222 46 52 ALA CA C 54.722 0.3 1 223 46 52 ALA CB C 16.360 0.3 1 224 46 52 ALA N N 131.951 0.3 1 225 47 53 VAL H H 7.315 0.020 1 226 47 53 VAL C C 174.327 0.3 1 227 47 53 VAL CA C 60.410 0.3 1 228 47 53 VAL CB C 31.359 0.3 1 229 47 53 VAL N N 113.001 0.3 1 230 48 54 LYS H H 8.119 0.020 1 231 48 54 LYS C C 175.052 0.3 1 232 48 54 LYS CA C 54.927 0.3 1 233 48 54 LYS CB C 33.808 0.3 1 234 48 54 LYS N N 121.777 0.3 1 235 49 55 ARG H H 8.624 0.020 1 236 49 55 ARG C C 175.550 0.3 1 237 49 55 ARG CA C 55.710 0.3 1 238 49 55 ARG CB C 30.474 0.3 1 239 49 55 ARG N N 126.787 0.3 1 240 50 56 LEU H H 8.328 0.020 1 241 50 56 LEU C C 176.361 0.3 1 242 50 56 LEU CA C 54.250 0.3 1 243 50 56 LEU CB C 40.801 0.3 1 244 50 56 LEU N N 126.726 0.3 1 245 51 57 GLU H H 8.224 0.020 1 246 51 57 GLU C C 175.098 0.3 1 247 51 57 GLU CA C 55.506 0.3 1 248 51 57 GLU CB C 31.770 0.3 1 249 51 57 GLU N N 122.768 0.3 1 250 52 58 ASP H H 8.038 0.020 1 251 52 58 ASP CA C 56.425 0.3 1 252 52 58 ASP CB C 40.490 0.3 1 253 52 58 ASP N N 120.310 0.3 1 254 53 59 GLY C C 174.740 0.3 1 255 53 59 GLY CA C 45.170 0.3 1 256 54 60 ARG H H 7.367 0.020 1 257 54 60 ARG C C 175.270 0.3 1 258 54 60 ARG CA C 54.290 0.3 1 259 54 60 ARG CB C 32.690 0.3 1 260 54 60 ARG N N 119.368 0.3 1 261 55 61 THR H H 8.765 0.020 1 262 55 61 THR C C 176.460 0.3 1 263 55 61 THR CA C 59.700 0.3 1 264 55 61 THR CB C 72.280 0.3 1 265 55 61 THR N N 108.868 0.3 1 266 56 62 LEU H H 8.094 0.020 1 267 56 62 LEU C C 180.740 0.3 1 268 56 62 LEU CA C 58.469 0.3 1 269 56 62 LEU CB C 40.250 0.3 1 270 56 62 LEU N N 117.616 0.3 1 271 57 63 SER H H 8.344 0.020 1 272 57 63 SER C C 178.149 0.3 1 273 57 63 SER CA C 61.120 0.3 1 274 57 63 SER CB C 62.450 0.3 1 275 57 63 SER N N 113.297 0.3 1 276 58 64 ASP H H 7.830 0.020 1 277 58 64 ASP C C 177.360 0.3 1 278 58 64 ASP CA C 57.350 0.3 1 279 58 64 ASP CB C 40.250 0.3 1 280 58 64 ASP N N 124.353 0.3 1 281 59 65 TYR H H 7.189 0.020 1 282 59 65 TYR C C 174.790 0.3 1 283 59 65 TYR CA C 58.260 0.3 1 284 59 65 TYR CB C 39.980 0.3 1 285 59 65 TYR N N 115.595 0.3 1 286 60 66 ASN H H 8.079 0.020 1 287 60 66 ASN C C 174.240 0.3 1 288 60 66 ASN CA C 54.140 0.3 1 289 60 66 ASN CB C 37.390 0.3 1 290 60 66 ASN N N 115.611 0.3 1 291 61 67 ILE H H 7.118 0.020 1 292 61 67 ILE C C 174.312 0.3 1 293 61 67 ILE CA C 62.420 0.3 1 294 61 67 ILE CB C 36.660 0.3 1 295 61 67 ILE N N 119.249 0.3 1 296 62 68 GLN H H 7.830 0.020 1 297 62 68 GLN C C 175.437 0.3 1 298 62 68 GLN CA C 53.620 0.3 1 299 62 68 GLN CB C 31.610 0.3 1 300 62 68 GLN N N 124.829 0.3 1 301 63 69 LYS H H 8.286 0.020 1 302 63 69 LYS C C 176.793 0.3 1 303 63 69 LYS CA C 58.610 0.3 1 304 63 69 LYS CB C 32.590 0.3 1 305 63 69 LYS N N 119.384 0.3 1 306 64 70 LYS H H 9.225 0.020 1 307 64 70 LYS C C 175.529 0.3 1 308 64 70 LYS CA C 58.453 0.3 1 309 64 70 LYS CB C 29.635 0.3 1 310 64 70 LYS N N 117.016 0.3 1 311 65 71 SER H H 7.992 0.020 1 312 65 71 SER C C 171.754 0.3 1 313 65 71 SER CA C 61.239 0.3 1 314 65 71 SER CB C 64.769 0.3 1 315 65 71 SER N N 116.281 0.3 1 316 66 72 SER H H 8.503 0.020 1 317 66 72 SER C C 173.988 0.3 1 318 66 72 SER CA C 56.732 0.3 1 319 66 72 SER CB C 64.769 0.3 1 320 66 72 SER N N 115.778 0.3 1 321 67 73 LEU H H 9.285 0.020 1 322 67 73 LEU C C 175.540 0.3 1 323 67 73 LEU CA C 53.541 0.3 1 324 67 73 LEU CB C 44.524 0.3 1 325 67 73 LEU N N 125.273 0.3 1 326 68 74 LEU H H 9.023 0.020 1 327 68 74 LEU C C 173.418 0.3 1 328 68 74 LEU CA C 54.389 0.3 1 329 68 74 LEU CB C 44.984 0.3 1 330 68 74 LEU N N 123.759 0.3 1 331 69 75 LEU H H 8.666 0.020 1 332 69 75 LEU C C 173.079 0.3 1 333 69 75 LEU CA C 53.224 0.3 1 334 69 75 LEU CB C 44.270 0.3 1 335 69 75 LEU N N 128.528 0.3 1 336 70 76 ALA H H 9.401 0.020 1 337 70 76 ALA C C 175.206 0.3 1 338 70 76 ALA CA C 49.511 0.3 1 339 70 76 ALA CB C 22.621 0.3 1 340 70 76 ALA N N 127.755 0.3 1 341 71 77 MET H H 9.566 0.020 1 342 71 77 MET C C 176.377 0.3 1 343 71 77 MET CA C 53.803 0.3 1 344 71 77 MET CB C 33.729 0.3 1 345 71 77 MET N N 116.459 0.3 1 346 72 78 ARG H H 8.446 0.020 1 347 72 78 ARG C C 175.884 0.3 1 348 72 78 ARG CA C 53.122 0.3 1 349 72 78 ARG CB C 31.340 0.3 1 350 72 78 ARG N N 118.360 0.3 1 351 73 79 VAL H H 8.087 0.020 1 352 73 79 VAL C C 177.390 0.3 1 353 73 79 VAL CA C 60.342 0.3 1 354 73 79 VAL CB C 32.618 0.3 1 355 73 79 VAL N N 121.671 0.3 1 356 75 81 GLY H H 8.421 0.020 1 357 75 81 GLY CA C 44.991 0.3 1 358 75 81 GLY N N 109.532 0.3 1 359 76 82 LYS H H 8.184 0.020 1 360 76 82 LYS CA C 56.030 0.3 1 361 76 82 LYS CB C 33.211 0.3 1 362 76 82 LYS N N 120.925 0.3 1 363 77 83 MET H H 8.431 0.020 1 364 77 83 MET CA C 55.657 0.3 1 365 77 83 MET CB C 33.062 0.3 1 366 77 83 MET N N 122.729 0.3 1 367 78 84 LYS H H 7.837 0.020 1 368 78 84 LYS CA C 57.832 0.3 1 369 78 84 LYS CB C 33.561 0.3 1 370 78 84 LYS N N 127.390 0.3 1 stop_ save_