data_26783 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; APC11 binding Ubiquitin Variant ; _BMRB_accession_number 26783 _BMRB_flat_file_name bmr26783.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 'Ubiquitin Variant' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brown Nicholas G. . 2 Grace Christy R. . 3 Schulman 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" 231 "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 26784 UBv-APC11 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 . loop_ _Keyword APC/C RING Ubiquitination stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UBv _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBv $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_UBv _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBv _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 . . . . . . 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 _Details $UBv 'recombinant technology' . Escherichia coli . BL21 'BL21(DE3) Codon Plus (RIL)' 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 1.0 mM '[U-100% 13C; U-100% 15N]' 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 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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_ 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 . 'separate tube (no insert) similar to the experimental sample tube' . 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 . 'separate tube (no insert) similar to the experimental sample tube' . 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_ _Experiment_label '3D HNCA' '3D HNCACB' '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 _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 C C 174.482 0.3 1 3 -2 4 GLY CA C 45.220 0.3 1 4 -2 4 GLY N N 108.985 0.3 1 5 -1 5 SER H H 8.559 0.020 1 6 -1 5 SER C C 175.180 0.3 1 7 -1 5 SER CA C 58.520 0.3 1 8 -1 5 SER CB C 64.089 0.3 1 9 -1 5 SER N N 116.196 0.3 1 10 0 6 GLY H H 8.408 0.020 1 11 0 6 GLY C C 173.423 0.3 1 12 0 6 GLY CA C 45.525 0.3 1 13 0 6 GLY N N 110.579 0.3 1 14 1 7 MET H H 8.712 0.020 1 15 1 7 MET C C 173.265 0.3 1 16 1 7 MET CA C 55.574 0.3 1 17 1 7 MET CB C 34.321 0.3 1 18 1 7 MET N N 120.242 0.3 1 19 2 8 GLN H H 7.763 0.020 1 20 2 8 GLN C C 176.239 0.3 1 21 2 8 GLN CA C 54.248 0.3 1 22 2 8 GLN CB C 31.496 0.3 1 23 2 8 GLN N N 121.565 0.3 1 24 3 9 ILE H H 8.527 0.020 1 25 3 9 ILE C C 172.747 0.3 1 26 3 9 ILE CA C 59.814 0.3 1 27 3 9 ILE CB C 41.692 0.3 1 28 3 9 ILE N N 115.062 0.3 1 29 4 10 LEU H H 8.508 0.020 1 30 4 10 LEU C C 176.352 0.3 1 31 4 10 LEU CA C 53.432 0.3 1 32 4 10 LEU CB C 43.429 0.3 1 33 4 10 LEU N N 121.880 0.3 1 34 5 11 VAL H H 9.028 0.020 1 35 5 11 VAL C C 174.750 0.3 1 36 5 11 VAL CA C 60.742 0.3 1 37 5 11 VAL CB C 34.434 0.3 1 38 5 11 VAL N N 120.167 0.3 1 39 6 12 LYS H H 8.746 0.020 1 40 6 12 LYS C C 175.969 0.3 1 41 6 12 LYS CA C 55.347 0.3 1 42 6 12 LYS CB C 32.958 0.3 1 43 6 12 LYS N N 128.530 0.3 1 44 7 13 THR H H 8.492 0.020 1 45 7 13 THR C C 175.338 0.3 1 46 7 13 THR CA C 60.090 0.3 1 47 7 13 THR CB C 68.515 0.3 1 48 7 13 THR N N 115.316 0.3 1 49 8 14 PRO C C 177.749 0.3 1 50 8 14 PRO CA C 65.358 0.3 1 51 8 14 PRO CB C 31.915 0.3 1 52 9 15 ARG H H 7.665 0.020 1 53 9 15 ARG C C 176.713 0.3 1 54 9 15 ARG CA C 56.161 0.3 1 55 9 15 ARG CB C 29.635 0.3 1 56 9 15 ARG N N 113.026 0.3 1 57 10 16 GLY H H 8.104 0.020 1 58 10 16 GLY C C 174.032 0.3 1 59 10 16 GLY CA C 45.360 0.3 1 60 10 16 GLY N N 107.903 0.3 1 61 11 17 LYS H H 6.790 0.020 1 62 11 17 LYS C C 176.014 0.3 1 63 11 17 LYS CA C 55.047 0.3 1 64 11 17 LYS CB C 33.944 0.3 1 65 11 17 LYS N N 119.851 0.3 1 66 12 18 THR H H 8.760 0.020 1 67 12 18 THR C C 174.549 0.3 1 68 12 18 THR CA C 62.222 0.3 1 69 12 18 THR CB C 69.550 0.3 1 70 12 18 THR N N 121.552 0.3 1 71 13 19 ILE H H 9.172 0.020 1 72 13 19 ILE C C 174.472 0.3 1 73 13 19 ILE CA C 59.535 0.3 1 74 13 19 ILE CB C 40.612 0.3 1 75 13 19 ILE N N 124.723 0.3 1 76 14 20 THR H H 8.437 0.020 1 77 14 20 THR C C 173.844 0.3 1 78 14 20 THR CA C 61.566 0.3 1 79 14 20 THR CB C 69.804 0.3 1 80 14 20 THR N N 118.604 0.3 1 81 15 21 LEU H H 8.855 0.020 1 82 15 21 LEU C C 175.201 0.3 1 83 15 21 LEU CA C 52.770 0.3 1 84 15 21 LEU CB C 46.303 0.3 1 85 15 21 LEU N N 124.723 0.3 1 86 16 22 GLU H H 8.234 0.020 1 87 16 22 GLU C C 175.820 0.3 1 88 16 22 GLU CA C 55.801 0.3 1 89 16 22 GLU CB C 29.435 0.3 1 90 16 22 GLU N N 122.787 0.3 1 91 17 23 VAL H H 8.434 0.020 1 92 17 23 VAL C C 173.632 0.3 1 93 17 23 VAL CA C 58.651 0.3 1 94 17 23 VAL CB C 36.360 0.3 1 95 17 23 VAL N N 116.389 0.3 1 96 18 24 GLU H H 8.407 0.020 1 97 18 24 GLU C C 176.004 0.3 1 98 18 24 GLU CA C 53.226 0.3 1 99 18 24 GLU CB C 31.110 0.3 1 100 18 24 GLU N N 117.864 0.3 1 101 19 25 PRO C C 175.358 0.3 1 102 19 25 PRO CA C 65.419 0.3 1 103 19 25 PRO CB C 31.692 0.3 1 104 20 26 SER H H 7.004 0.020 1 105 20 26 SER C C 174.560 0.3 1 106 20 26 SER CA C 57.292 0.3 1 107 20 26 SER CB C 63.360 0.3 1 108 20 26 SER N N 103.625 0.3 1 109 21 27 ASP H H 7.969 0.020 1 110 21 27 ASP C C 176.309 0.3 1 111 21 27 ASP CA C 56.012 0.3 1 112 21 27 ASP CB C 40.810 0.3 1 113 21 27 ASP N N 123.893 0.3 1 114 22 28 THR H H 7.762 0.020 1 115 22 28 THR C C 176.734 0.3 1 116 22 28 THR CA C 59.700 0.3 1 117 22 28 THR CB C 71.200 0.3 1 118 22 28 THR N N 109.190 0.3 1 119 23 29 ILE H H 8.406 0.020 1 120 23 29 ILE C C 178.790 0.3 1 121 23 29 ILE CA C 62.330 0.3 1 122 23 29 ILE CB C 34.480 0.3 1 123 23 29 ILE N N 121.010 0.3 1 124 24 30 GLU H H 10.168 0.020 1 125 24 30 GLU C C 179.079 0.3 1 126 24 30 GLU CA C 60.925 0.3 1 127 24 30 GLU CB C 28.490 0.3 1 128 24 30 GLU N N 121.319 0.3 1 129 25 31 ASN H H 7.854 0.020 1 130 25 31 ASN C C 178.350 0.3 1 131 25 31 ASN CA C 56.050 0.3 1 132 25 31 ASN CB C 38.148 0.3 1 133 25 31 ASN N N 121.552 0.3 1 134 26 32 VAL H H 8.037 0.020 1 135 26 32 VAL C C 177.850 0.3 1 136 26 32 VAL CA C 67.630 0.3 1 137 26 32 VAL CB C 30.790 0.3 1 138 26 32 VAL N N 122.165 0.3 1 139 27 33 LYS H H 8.500 0.020 1 140 27 33 LYS C C 180.450 0.3 1 141 27 33 LYS CA C 59.210 0.3 1 142 27 33 LYS CB C 33.670 0.3 1 143 27 33 LYS N N 119.190 0.3 1 144 28 34 ALA H H 7.881 0.020 1 145 28 34 ALA C C 180.190 0.3 1 146 28 34 ALA CA C 55.400 0.3 1 147 28 34 ALA CB C 17.720 0.3 1 148 28 34 ALA N N 123.527 0.3 1 149 29 35 LYS H H 7.770 0.020 1 150 29 35 LYS C C 180.250 0.3 1 151 29 35 LYS CA C 59.760 0.3 1 152 29 35 LYS CB C 33.330 0.3 1 153 29 35 LYS N N 120.289 0.3 1 154 30 36 ILE H H 8.295 0.020 1 155 30 36 ILE C C 178.160 0.3 1 156 30 36 ILE CA C 66.100 0.3 1 157 30 36 ILE CB C 36.760 0.3 1 158 30 36 ILE N N 121.268 0.3 1 159 31 37 GLN H H 8.485 0.020 1 160 31 37 GLN C C 178.800 0.3 1 161 31 37 GLN CA C 60.020 0.3 1 162 31 37 GLN CB C 27.690 0.3 1 163 31 37 GLN N N 123.657 0.3 1 164 32 38 ASP H H 7.826 0.020 1 165 32 38 ASP C C 177.240 0.3 1 166 32 38 ASP CA C 57.360 0.3 1 167 32 38 ASP CB C 40.880 0.3 1 168 32 38 ASP N N 119.513 0.3 1 169 33 39 LYS H H 7.312 0.020 1 170 33 39 LYS C C 177.790 0.3 1 171 33 39 LYS CA C 57.968 0.3 1 172 33 39 LYS CB C 33.902 0.3 1 173 33 39 LYS N N 115.315 0.3 1 174 34 40 GLU H H 8.718 0.020 1 175 34 40 GLU C C 177.820 0.3 1 176 34 40 GLU CA C 55.443 0.3 1 177 34 40 GLU CB C 33.352 0.3 1 178 34 40 GLU N N 114.642 0.3 1 179 35 41 GLY H H 8.425 0.020 1 180 35 41 GLY C C 173.870 0.3 1 181 35 41 GLY CA C 46.050 0.3 1 182 35 41 GLY N N 108.844 0.3 1 183 36 42 ILE H H 6.062 0.020 1 184 36 42 ILE C C 173.335 0.3 1 185 36 42 ILE CA C 57.750 0.3 1 186 36 42 ILE CB C 40.500 0.3 1 187 36 42 ILE N N 119.975 0.3 1 188 38 44 PRO C C 178.008 0.3 1 189 38 44 PRO CA C 66.140 0.3 1 190 38 44 PRO CB C 32.830 0.3 1 191 39 45 ASP H H 8.438 0.020 1 192 39 45 ASP C C 176.894 0.3 1 193 39 45 ASP CA C 55.506 0.3 1 194 39 45 ASP CB C 39.700 0.3 1 195 39 45 ASP N N 113.285 0.3 1 196 40 46 GLN H H 7.818 0.020 1 197 40 46 GLN C C 174.778 0.3 1 198 40 46 GLN CA C 55.244 0.3 1 199 40 46 GLN CB C 30.080 0.3 1 200 40 46 GLN N N 117.075 0.3 1 201 41 47 GLN H H 7.272 0.020 1 202 41 47 GLN C C 176.160 0.3 1 203 41 47 GLN CA C 56.630 0.3 1 204 41 47 GLN CB C 31.560 0.3 1 205 41 47 GLN N N 117.929 0.3 1 206 42 48 ILE H H 8.670 0.020 1 207 42 48 ILE C C 174.106 0.3 1 208 42 48 ILE CA C 61.236 0.3 1 209 42 48 ILE CB C 39.893 0.3 1 210 42 48 ILE N N 123.249 0.3 1 211 43 49 LEU H H 8.469 0.020 1 212 43 49 LEU C C 175.060 0.3 1 213 43 49 LEU CA C 53.020 0.3 1 214 43 49 LEU CB C 46.650 0.3 1 215 43 49 LEU N N 125.498 0.3 1 216 44 50 PHE H H 9.070 0.020 1 217 44 50 PHE C C 175.920 0.3 1 218 44 50 PHE CA C 56.314 0.3 1 219 44 50 PHE CB C 43.429 0.3 1 220 44 50 PHE N N 117.671 0.3 1 221 45 51 PHE H H 8.812 0.020 1 222 45 51 PHE C C 175.011 0.3 1 223 45 51 PHE CA C 55.168 0.3 1 224 45 51 PHE CB C 41.599 0.3 1 225 45 51 PHE N N 120.479 0.3 1 226 46 52 ALA H H 9.243 0.020 1 227 46 52 ALA C C 176.136 0.3 1 228 46 52 ALA CA C 54.315 0.3 1 229 46 52 ALA CB C 16.360 0.3 1 230 46 52 ALA N N 131.843 0.3 1 231 47 53 VAL H H 7.351 0.020 1 232 47 53 VAL C C 175.818 0.3 1 233 47 53 VAL CA C 62.016 0.3 1 234 47 53 VAL CB C 31.359 0.3 1 235 47 53 VAL N N 113.173 0.3 1 236 48 54 LYS H H 8.018 0.020 1 237 48 54 LYS C C 174.705 0.3 1 238 48 54 LYS CA C 55.528 0.3 1 239 48 54 LYS CB C 33.808 0.3 1 240 48 54 LYS N N 122.880 0.3 1 241 49 55 ARG H H 8.496 0.020 1 242 49 55 ARG C C 175.659 0.3 1 243 49 55 ARG CA C 56.037 0.3 1 244 49 55 ARG CB C 30.474 0.3 1 245 49 55 ARG N N 127.084 0.3 1 246 50 56 LEU H H 8.372 0.020 1 247 50 56 LEU C C 176.246 0.3 1 248 50 56 LEU CA C 54.250 0.3 1 249 50 56 LEU CB C 40.801 0.3 1 250 50 56 LEU N N 126.342 0.3 1 251 51 57 GLU H H 8.179 0.020 1 252 51 57 GLU C C 175.121 0.3 1 253 51 57 GLU CA C 55.960 0.3 1 254 51 57 GLU CB C 31.770 0.3 1 255 51 57 GLU N N 122.727 0.3 1 256 52 58 ASP H H 8.025 0.020 1 257 52 58 ASP C C 177.347 0.3 1 258 52 58 ASP CA C 56.710 0.3 1 259 52 58 ASP CB C 40.490 0.3 1 260 52 58 ASP N N 120.285 0.3 1 261 53 59 GLY C C 174.740 0.3 1 262 53 59 GLY CA C 45.023 0.3 1 263 54 60 ARG H H 7.369 0.020 1 264 54 60 ARG C C 175.270 0.3 1 265 54 60 ARG CA C 54.290 0.3 1 266 54 60 ARG CB C 32.690 0.3 1 267 54 60 ARG N N 119.343 0.3 1 268 55 61 THR H H 8.765 0.020 1 269 55 61 THR C C 176.460 0.3 1 270 55 61 THR CA C 59.700 0.3 1 271 55 61 THR CB C 72.280 0.3 1 272 55 61 THR N N 108.868 0.3 1 273 56 62 LEU H H 8.115 0.020 1 274 56 62 LEU C C 180.740 0.3 1 275 56 62 LEU CA C 58.680 0.3 1 276 56 62 LEU CB C 40.250 0.3 1 277 56 62 LEU N N 117.703 0.3 1 278 57 63 SER H H 8.356 0.020 1 279 57 63 SER C C 178.142 0.3 1 280 57 63 SER CA C 61.120 0.3 1 281 57 63 SER CB C 62.450 0.3 1 282 57 63 SER N N 113.383 0.3 1 283 58 64 ASP H H 7.830 0.020 1 284 58 64 ASP C C 177.360 0.3 1 285 58 64 ASP CA C 57.350 0.3 1 286 58 64 ASP CB C 40.250 0.3 1 287 58 64 ASP N N 124.353 0.3 1 288 59 65 TYR H H 7.198 0.020 1 289 59 65 TYR C C 174.754 0.3 1 290 59 65 TYR CA C 58.260 0.3 1 291 59 65 TYR CB C 39.980 0.3 1 292 59 65 TYR N N 115.566 0.3 1 293 60 66 ASN H H 8.073 0.020 1 294 60 66 ASN C C 174.240 0.3 1 295 60 66 ASN CA C 54.140 0.3 1 296 60 66 ASN CB C 37.390 0.3 1 297 60 66 ASN N N 115.752 0.3 1 298 61 67 ILE H H 7.119 0.020 1 299 61 67 ILE C C 174.387 0.3 1 300 61 67 ILE CA C 62.420 0.3 1 301 61 67 ILE CB C 36.660 0.3 1 302 61 67 ILE N N 119.189 0.3 1 303 62 68 GLN H H 7.783 0.020 1 304 62 68 GLN C C 175.476 0.3 1 305 62 68 GLN CA C 53.620 0.3 1 306 62 68 GLN CB C 31.610 0.3 1 307 62 68 GLN N N 124.768 0.3 1 308 63 69 LYS H H 8.311 0.020 1 309 63 69 LYS C C 176.687 0.3 1 310 63 69 LYS CA C 58.610 0.3 1 311 63 69 LYS CB C 32.590 0.3 1 312 63 69 LYS N N 119.424 0.3 1 313 64 70 LYS H H 9.227 0.020 1 314 64 70 LYS C C 175.512 0.3 1 315 64 70 LYS CA C 58.453 0.3 1 316 64 70 LYS CB C 29.635 0.3 1 317 64 70 LYS N N 116.895 0.3 1 318 65 71 SER H H 7.948 0.020 1 319 65 71 SER C C 171.782 0.3 1 320 65 71 SER CA C 61.239 0.3 1 321 65 71 SER CB C 64.769 0.3 1 322 65 71 SER N N 116.220 0.3 1 323 66 72 SER H H 8.508 0.020 1 324 66 72 SER C C 173.873 0.3 1 325 66 72 SER CA C 56.980 0.3 1 326 66 72 SER CB C 64.769 0.3 1 327 66 72 SER N N 115.758 0.3 1 328 67 73 LEU H H 9.306 0.020 1 329 67 73 LEU C C 175.540 0.3 1 330 67 73 LEU CA C 53.541 0.3 1 331 67 73 LEU CB C 44.524 0.3 1 332 67 73 LEU N N 125.696 0.3 1 333 68 74 LEU H H 8.962 0.020 1 334 68 74 LEU C C 174.314 0.3 1 335 68 74 LEU CA C 54.389 0.3 1 336 68 74 LEU CB C 44.984 0.3 1 337 68 74 LEU N N 123.349 0.3 1 338 69 75 LEU H H 8.309 0.020 1 339 69 75 LEU C C 173.983 0.3 1 340 69 75 LEU CA C 53.442 0.3 1 341 69 75 LEU CB C 44.270 0.3 1 342 69 75 LEU N N 125.834 0.3 1 343 70 76 ALA H H 9.587 0.020 1 344 70 76 ALA C C 175.121 0.3 1 345 70 76 ALA CA C 49.872 0.3 1 346 70 76 ALA CB C 22.621 0.3 1 347 70 76 ALA N N 129.612 0.3 1 348 71 77 MET H H 8.270 0.020 1 349 71 77 MET C C 176.943 0.3 1 350 71 77 MET CA C 53.147 0.3 1 351 71 77 MET CB C 33.729 0.3 1 352 71 77 MET N N 116.250 0.3 1 353 72 78 ARG H H 8.558 0.020 1 354 72 78 ARG C C 175.573 0.3 1 355 72 78 ARG CA C 56.388 0.3 1 356 72 78 ARG CB C 31.340 0.3 1 357 72 78 ARG N N 123.753 0.3 1 358 73 79 VAL H H 8.251 0.020 1 359 73 79 VAL C C 174.387 0.3 1 360 73 79 VAL CA C 59.720 0.3 1 361 73 79 VAL CB C 32.618 0.3 1 362 73 79 VAL N N 124.090 0.3 1 363 75 81 GLY H H 8.327 0.020 1 364 75 81 GLY C C 173.812 0.3 1 365 75 81 GLY CA C 44.991 0.3 1 366 75 81 GLY N N 109.165 0.3 1 367 76 82 LYS H H 8.061 0.020 1 368 76 82 LYS C C 176.528 0.3 1 369 76 82 LYS CA C 56.030 0.3 1 370 76 82 LYS CB C 33.211 0.3 1 371 76 82 LYS N N 120.701 0.3 1 372 77 83 MET H H 8.381 0.020 1 373 77 83 MET C C 175.182 0.3 1 374 77 83 MET CA C 55.657 0.3 1 375 77 83 MET CB C 33.062 0.3 1 376 77 83 MET N N 122.250 0.3 1 377 78 84 LYS H H 7.825 0.020 1 378 78 84 LYS C C 181.041 0.3 1 379 78 84 LYS CA C 57.832 0.3 1 380 78 84 LYS CB C 33.561 0.3 1 381 78 84 LYS N N 127.127 0.3 1 stop_ save_