data_17411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CHIP (carboxyl terminal of Hsc70-interacting protein) ; _BMRB_accession_number 17411 _BMRB_flat_file_name bmr17411.str _Entry_type original _Submission_date 2011-01-14 _Accession_date 2011-01-14 _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 Soss Sarah E. . 2 Chazin Walter J. . 3 Yue Yuanyuan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 167 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 update BMRB 'update entry citation' 2011-05-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'E2 Conjugating Enzyme Selectivity and Requirements for Function of the E3 Ubiquitin Ligase CHIP.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21518764 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soss Sarah E. . 2 Yue Yuanyuan . . 3 Dhe-Paganon Sirano . . 4 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21277 _Page_last 21286 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CHIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CHIP U-box domain' $CHIP_U-box_domain 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_CHIP_U-box_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHIP_U-box_domain _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'E3 ubiquitin ligase, co-chaperone' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GPGSVDEKRKKRDIPDYLCG KISFELMREPCITPSGITYD RKDIEEHLQRVGHFDPVTRS PLTQEQLIPNLAMKEVIDAF ISENGWVEDY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 GLY 2 215 PRO 3 216 GLY 4 217 SER 5 218 VAL 6 219 ASP 7 220 GLU 8 221 LYS 9 222 ARG 10 223 LYS 11 224 LYS 12 225 ARG 13 226 ASP 14 227 ILE 15 228 PRO 16 229 ASP 17 230 TYR 18 231 LEU 19 232 CYS 20 233 GLY 21 234 LYS 22 235 ILE 23 236 SER 24 237 PHE 25 238 GLU 26 239 LEU 27 240 MET 28 241 ARG 29 242 GLU 30 243 PRO 31 244 CYS 32 245 ILE 33 246 THR 34 247 PRO 35 248 SER 36 249 GLY 37 250 ILE 38 251 THR 39 252 TYR 40 253 ASP 41 254 ARG 42 255 LYS 43 256 ASP 44 257 ILE 45 258 GLU 46 259 GLU 47 260 HIS 48 261 LEU 49 262 GLN 50 263 ARG 51 264 VAL 52 265 GLY 53 266 HIS 54 267 PHE 55 268 ASP 56 269 PRO 57 270 VAL 58 271 THR 59 272 ARG 60 273 SER 61 274 PRO 62 275 LEU 63 276 THR 64 277 GLN 65 278 GLU 66 279 GLN 67 280 LEU 68 281 ILE 69 282 PRO 70 283 ASN 71 284 LEU 72 285 ALA 73 286 MET 74 287 LYS 75 288 GLU 76 289 VAL 77 290 ILE 78 291 ASP 79 292 ALA 80 293 PHE 81 294 ILE 82 295 SER 83 296 GLU 84 297 ASN 85 298 GLY 86 299 TRP 87 300 VAL 88 301 GLU 89 302 ASP 90 303 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2C2V "Crystal Structure Of The Chip-Ubc13-Uev1a Complex" 86.67 78 98.72 100.00 1.37e-49 DBJ BAB22329 "unnamed protein product [Mus musculus]" 95.56 304 100.00 100.00 1.03e-54 DBJ BAB23315 "unnamed protein product [Mus musculus]" 95.56 304 100.00 100.00 9.75e-55 DBJ BAC32489 "unnamed protein product [Mus musculus]" 95.56 304 100.00 100.00 9.75e-55 DBJ BAE34573 "unnamed protein product [Mus musculus]" 95.56 304 97.67 97.67 3.24e-53 DBJ BAE38905 "unnamed protein product [Mus musculus]" 95.56 304 100.00 100.00 9.75e-55 EMBL CAG04345 "unnamed protein product [Tetraodon nigroviridis]" 78.89 643 97.18 100.00 2.32e-39 EMBL CAG32658 "hypothetical protein RCJMB04_32b21 [Gallus gallus]" 95.56 314 98.84 100.00 1.68e-53 GB AAC18038 "antigen NY-CO-7 [Homo sapiens]" 95.56 303 97.67 97.67 3.45e-53 GB AAD33400 "carboxy terminus of Hsp70-interacting protein [Homo sapiens]" 95.56 303 100.00 100.00 6.52e-55 GB AAD33401 "carboxy terminus of Hsp70-interacting protein [Mus musculus]" 95.56 304 100.00 100.00 9.75e-55 GB AAG17211 "unknown [Homo sapiens]" 97.78 231 97.73 97.73 5.77e-56 GB AAH07545 "STIP1 homology and U-box containing protein 1 [Homo sapiens]" 95.56 303 100.00 100.00 5.98e-55 REF NP_001020796 "E3 ubiquitin-protein ligase CHIP [Rattus norvegicus]" 95.56 304 100.00 100.00 8.48e-55 REF NP_001026577 "STIP1 homology and U box-containing protein 1 [Gallus gallus]" 95.56 314 98.84 100.00 1.68e-53 REF NP_001068634 "E3 ubiquitin-protein ligase CHIP [Bos taurus]" 97.78 303 97.73 97.73 6.45e-55 REF NP_001072347 "E3 ubiquitin-protein ligase CHIP [Xenopus (Silurana) tropicalis]" 95.56 310 98.84 100.00 6.44e-55 REF NP_001244487 "STIP1 homology and U-box containing protein 1, E3 ubiquitin protein ligase [Macaca mulatta]" 95.56 303 100.00 100.00 5.98e-55 SP Q5ZHY5 "RecName: Full=STIP1 homology and U box-containing protein 1" 95.56 314 98.84 100.00 1.68e-53 SP Q9UNE7 "RecName: Full=E3 ubiquitin-protein ligase CHIP; AltName: Full=Antigen NY-CO-7; AltName: Full=CLL-associated antigen KW-8; AltNa" 95.56 303 100.00 100.00 5.98e-55 SP Q9WUD1 "RecName: Full=STIP1 homology and U box-containing protein 1; AltName: Full=Carboxy terminus of Hsp70-interacting protein; AltNa" 95.56 304 100.00 100.00 9.75e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CHIP_U-box_domain 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 $CHIP_U-box_domain 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pBG102 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 $CHIP_U-box_domain 300 uM '[U-99% 13C; U-99% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 pH 7.5 . pH pressure 1 . atm temperature 293 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' 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 'CHIP U-box domain' _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 1 215 2 PRO CA C 62.632 0.000 1 2 215 2 PRO CB C 31.295 0.000 1 3 216 3 GLY H H 8.581 0.014 1 4 216 3 GLY CA C 44.349 0.062 1 5 216 3 GLY N N 110.141 0.067 1 6 217 4 SER H H 8.106 0.018 1 7 217 4 SER CA C 57.758 0.322 1 8 217 4 SER CB C 63.092 0.043 1 9 217 4 SER N N 115.457 0.219 1 10 218 5 VAL H H 8.200 0.008 1 11 218 5 VAL CA C 61.830 0.031 1 12 218 5 VAL CB C 31.731 0.158 1 13 218 5 VAL N N 121.413 0.044 1 14 219 6 ASP H H 8.233 0.010 1 15 219 6 ASP CA C 53.644 0.035 1 16 219 6 ASP CB C 40.266 0.067 1 17 219 6 ASP N N 123.146 0.029 1 18 220 7 GLU H H 8.217 0.012 1 19 220 7 GLU CA C 56.476 0.000 1 20 220 7 GLU CB C 29.186 0.000 1 21 220 7 GLU N N 121.917 0.062 1 22 221 8 LYS CA C 55.884 0.000 1 23 221 8 LYS CB C 31.643 0.065 1 24 222 9 ARG H H 8.030 0.006 1 25 222 9 ARG CA C 55.507 0.017 1 26 222 9 ARG CB C 29.807 0.074 1 27 222 9 ARG N N 121.148 0.067 1 28 223 10 LYS H H 8.175 0.011 1 29 223 10 LYS CA C 55.615 0.068 1 30 223 10 LYS CB C 32.296 0.000 1 31 223 10 LYS N N 122.617 0.128 1 32 224 11 LYS H H 8.199 0.012 1 33 224 11 LYS CA C 55.743 0.004 1 34 224 11 LYS CB C 32.102 0.082 1 35 224 11 LYS N N 122.836 0.080 1 36 225 12 ARG H H 8.094 0.009 1 37 225 12 ARG CA C 54.873 0.017 1 38 225 12 ARG CB C 30.178 0.133 1 39 225 12 ARG N N 121.818 0.035 1 40 226 13 ASP H H 8.255 0.006 1 41 226 13 ASP CA C 53.519 0.027 1 42 226 13 ASP CB C 40.242 0.045 1 43 226 13 ASP N N 121.542 0.026 1 44 227 14 ILE H H 8.019 0.008 1 45 227 14 ILE CA C 57.343 0.005 1 46 227 14 ILE CB C 38.290 0.000 1 47 227 14 ILE N N 122.098 0.031 1 48 228 15 PRO CA C 61.780 0.022 1 49 228 15 PRO CB C 30.819 0.072 1 50 229 16 ASP H H 8.487 0.005 1 51 229 16 ASP CA C 56.828 0.005 1 52 229 16 ASP CB C 39.340 0.058 1 53 229 16 ASP N N 122.853 0.043 1 54 230 17 TYR H H 6.542 0.018 1 55 230 17 TYR CA C 56.309 0.030 1 56 230 17 TYR CB C 35.340 0.128 1 57 230 17 TYR N N 112.037 0.026 1 58 231 18 LEU H H 6.902 0.015 1 59 231 18 LEU CA C 53.674 0.014 1 60 231 18 LEU CB C 40.385 0.030 1 61 231 18 LEU N N 118.288 0.036 1 62 232 19 CYS H H 7.199 0.025 1 63 232 19 CYS CA C 56.704 0.054 1 64 232 19 CYS CB C 28.849 0.070 1 65 232 19 CYS N N 115.018 0.049 1 66 233 20 GLY H H 8.138 0.018 1 67 233 20 GLY CA C 45.398 0.006 1 68 233 20 GLY N N 109.679 0.062 1 69 236 23 SER CA C 57.817 0.000 1 70 236 23 SER CB C 63.436 0.000 1 71 237 24 PHE H H 7.596 0.014 1 72 237 24 PHE CA C 58.231 0.053 1 73 237 24 PHE CB C 35.769 0.066 1 74 237 24 PHE N N 117.028 0.167 1 75 238 25 GLU H H 7.897 0.040 1 76 238 25 GLU CA C 53.548 0.023 1 77 238 25 GLU CB C 32.048 0.051 1 78 238 25 GLU N N 117.750 0.057 1 79 239 26 LEU H H 8.596 0.013 1 80 239 26 LEU CA C 55.175 0.042 1 81 239 26 LEU CB C 41.765 0.042 1 82 239 26 LEU N N 124.045 0.113 1 83 240 27 MET H H 7.692 0.012 1 84 240 27 MET CA C 56.001 0.014 1 85 240 27 MET CB C 34.742 0.058 1 86 240 27 MET N N 124.860 0.102 1 87 241 28 ARG H H 8.389 0.041 1 88 241 28 ARG CA C 55.913 0.077 1 89 241 28 ARG CB C 30.173 0.213 1 90 241 28 ARG N N 119.111 0.081 1 91 242 29 GLU H H 9.220 0.026 1 92 242 29 GLU CA C 52.477 0.037 1 93 242 29 GLU CB C 29.977 0.000 1 94 242 29 GLU N N 120.580 0.042 1 95 243 30 PRO CA C 62.048 0.011 1 96 243 30 PRO CB C 31.798 0.112 1 97 244 31 CYS H H 9.951 0.011 1 98 244 31 CYS CA C 56.414 0.020 1 99 244 31 CYS CB C 30.466 0.082 1 100 244 31 CYS N N 124.458 0.027 1 101 245 32 ILE H H 10.043 0.015 1 102 245 32 ILE CA C 57.647 0.009 1 103 245 32 ILE CB C 42.960 0.109 1 104 245 32 ILE N N 125.143 0.039 1 105 246 33 THR H H 8.118 0.014 1 106 246 33 THR CB C 68.044 0.000 1 107 246 33 THR N N 115.166 0.095 1 108 247 34 PRO CA C 64.422 0.022 1 109 247 34 PRO CB C 30.840 0.060 1 110 248 35 SER H H 7.796 0.013 1 111 248 35 SER CA C 58.778 0.012 1 112 248 35 SER CB C 63.037 0.061 1 113 248 35 SER N N 109.625 0.023 1 114 249 36 GLY H H 8.785 0.014 1 115 249 36 GLY CA C 44.705 0.181 1 116 249 36 GLY N N 110.239 0.053 1 117 250 37 ILE H H 6.834 0.014 1 118 250 37 ILE CA C 58.516 0.030 1 119 250 37 ILE CB C 36.345 0.073 1 120 250 37 ILE N N 120.000 0.041 1 121 251 38 THR H H 7.379 0.017 1 122 251 38 THR CA C 61.697 0.026 1 123 251 38 THR CB C 67.872 0.072 1 124 251 38 THR N N 123.518 0.049 1 125 252 39 TYR H H 9.185 0.012 1 126 252 39 TYR CA C 55.364 0.011 1 127 252 39 TYR CB C 43.322 0.065 1 128 252 39 TYR N N 124.225 0.043 1 129 253 40 ASP H H 9.592 0.036 1 130 253 40 ASP CA C 53.874 0.034 1 131 253 40 ASP CB C 41.229 0.053 1 132 253 40 ASP N N 123.651 0.211 1 133 254 41 ARG H H 8.825 0.010 1 134 254 41 ARG CA C 60.029 0.017 1 135 254 41 ARG CB C 29.202 0.131 1 136 254 41 ARG N N 129.002 0.079 1 137 255 42 LYS H H 8.913 0.019 1 138 255 42 LYS CA C 58.483 0.034 1 139 255 42 LYS CB C 30.535 0.087 1 140 255 42 LYS N N 115.682 0.050 1 141 256 43 ASP H H 7.200 0.027 1 142 256 43 ASP CA C 56.334 0.011 1 143 256 43 ASP CB C 40.605 0.044 1 144 256 43 ASP N N 117.954 0.075 1 145 257 44 ILE H H 7.886 0.066 1 146 257 44 ILE CA C 58.702 0.051 1 147 257 44 ILE CB C 36.920 0.062 1 148 257 44 ILE N N 119.219 0.062 1 149 258 45 GLU H H 8.608 0.014 1 150 258 45 GLU CA C 60.293 0.026 1 151 258 45 GLU CB C 27.699 0.133 1 152 258 45 GLU N N 123.548 0.072 1 153 259 46 GLU H H 7.600 0.024 1 154 259 46 GLU CA C 59.043 0.009 1 155 259 46 GLU CB C 28.233 0.000 1 156 259 46 GLU N N 119.335 0.045 1 157 260 47 HIS CA C 60.111 0.003 1 158 260 47 HIS CB C 30.545 0.000 1 159 261 48 LEU H H 8.138 0.008 1 160 261 48 LEU CA C 55.809 0.029 1 161 261 48 LEU CB C 40.961 0.110 1 162 261 48 LEU N N 118.952 0.153 1 163 262 49 GLN H H 7.409 0.012 1 164 262 49 GLN CA C 56.780 0.069 1 165 262 49 GLN CB C 28.801 0.061 1 166 262 49 GLN N N 114.081 0.024 1 167 263 50 ARG H H 8.356 0.009 1 168 263 50 ARG CA C 56.403 0.119 1 169 263 50 ARG CB C 31.056 0.074 1 170 263 50 ARG N N 115.961 0.031 1 171 264 51 VAL H H 8.372 0.010 1 172 264 51 VAL CA C 63.668 0.009 1 173 264 51 VAL CB C 30.628 0.000 1 174 264 51 VAL N N 121.565 0.038 1 175 265 52 GLY H H 7.175 0.018 1 176 265 52 GLY CA C 44.335 0.039 1 177 265 52 GLY N N 105.198 0.122 1 178 266 53 HIS H H 8.364 0.052 1 179 266 53 HIS CA C 53.095 0.021 1 180 266 53 HIS CB C 26.973 0.147 1 181 266 53 HIS N N 118.952 0.194 1 182 267 54 PHE H H 7.890 0.011 1 183 267 54 PHE CA C 54.765 0.062 1 184 267 54 PHE CB C 40.114 0.057 1 185 267 54 PHE N N 118.496 0.070 1 186 268 55 ASP H H 8.984 0.017 1 187 268 55 ASP CA C 51.200 0.002 1 188 268 55 ASP CB C 43.326 0.000 1 189 268 55 ASP N N 123.170 0.074 1 190 269 56 PRO CA C 64.549 0.000 1 191 269 56 PRO CB C 30.986 0.000 1 192 270 57 VAL H H 8.037 0.010 1 193 270 57 VAL CA C 64.326 0.079 1 194 270 57 VAL CB C 31.597 0.086 1 195 270 57 VAL N N 116.587 0.035 1 196 271 58 THR H H 7.918 0.012 1 197 271 58 THR CA C 61.887 0.017 1 198 271 58 THR CB C 69.351 0.099 1 199 271 58 THR N N 108.121 0.060 1 200 272 59 ARG H H 8.842 0.019 1 201 272 59 ARG CA C 57.122 0.016 1 202 272 59 ARG CB C 25.771 0.096 1 203 272 59 ARG N N 115.848 0.050 1 204 273 60 SER H H 7.680 0.030 1 205 273 60 SER CA C 56.642 0.025 1 206 273 60 SER CB C 61.980 0.000 1 207 273 60 SER N N 116.363 0.044 1 208 274 61 PRO CA C 63.499 0.027 1 209 274 61 PRO CB C 31.039 0.090 1 210 275 62 LEU H H 7.554 0.010 1 211 275 62 LEU CA C 53.879 0.049 1 212 275 62 LEU CB C 45.513 0.022 1 213 275 62 LEU N N 126.382 0.062 1 214 276 63 THR H H 7.748 0.017 1 215 276 63 THR CA C 58.146 0.050 1 216 276 63 THR CB C 71.164 0.042 1 217 276 63 THR N N 111.181 0.100 1 218 277 64 GLN H H 9.135 0.041 1 219 277 64 GLN CA C 58.438 0.051 1 220 277 64 GLN CB C 27.109 0.065 1 221 277 64 GLN N N 120.721 0.066 1 222 278 65 GLU H H 8.742 0.021 1 223 278 65 GLU CA C 57.869 0.056 1 224 278 65 GLU CB C 27.683 0.146 1 225 278 65 GLU N N 117.463 0.047 1 226 279 66 GLN H H 7.577 0.014 1 227 279 66 GLN CA C 55.093 0.038 1 228 279 66 GLN CB C 29.904 0.103 1 229 279 66 GLN N N 116.386 0.055 1 230 280 67 LEU H H 6.968 0.014 1 231 280 67 LEU CA C 54.011 0.041 1 232 280 67 LEU CB C 41.216 0.069 1 233 280 67 LEU N N 116.590 0.034 1 234 281 68 ILE H H 8.418 0.020 1 235 281 68 ILE CA C 57.005 0.006 1 236 281 68 ILE CB C 41.138 0.000 1 237 281 68 ILE N N 126.147 0.042 1 238 282 69 PRO CA C 62.822 0.000 1 239 283 70 ASN H H 8.205 0.005 1 240 283 70 ASN CA C 48.898 0.069 1 241 283 70 ASN CB C 35.661 0.043 1 242 283 70 ASN N N 121.646 0.079 1 243 284 71 LEU H H 7.204 0.021 1 244 284 71 LEU CA C 57.976 0.023 1 245 284 71 LEU CB C 39.318 0.114 1 246 284 71 LEU N N 120.898 0.076 1 247 285 72 ALA H H 9.235 0.008 1 248 285 72 ALA CA C 54.027 0.024 1 249 285 72 ALA CB C 17.142 0.021 1 250 285 72 ALA N N 123.260 0.031 1 251 286 73 MET H H 6.669 0.015 1 252 286 73 MET CA C 54.336 0.019 1 253 286 73 MET CB C 29.055 0.036 1 254 286 73 MET N N 113.342 0.061 1 255 287 74 LYS H H 7.761 0.013 1 256 287 74 LYS CA C 58.460 0.073 1 257 287 74 LYS CB C 30.843 0.071 1 258 287 74 LYS N N 121.132 0.060 1 259 288 75 GLU H H 7.501 0.017 1 260 288 75 GLU CA C 59.200 0.058 1 261 288 75 GLU CB C 28.442 0.173 1 262 288 75 GLU N N 118.091 0.025 1 263 289 76 VAL H H 7.658 0.030 1 264 289 76 VAL CA C 60.044 0.000 1 265 289 76 VAL CB C 30.521 0.000 1 266 289 76 VAL N N 120.073 0.125 1 267 290 77 ILE H H 7.660 0.011 1 268 290 77 ILE CA C 65.312 0.024 1 269 290 77 ILE CB C 37.653 0.000 1 270 290 77 ILE N N 120.396 0.103 1 271 291 78 ASP H H 8.786 0.007 1 272 291 78 ASP CA C 56.717 0.054 1 273 291 78 ASP CB C 38.798 0.060 1 274 291 78 ASP N N 120.688 0.053 1 275 292 79 ALA H H 7.718 0.121 1 276 292 79 ALA CA C 54.283 0.006 1 277 292 79 ALA CB C 17.387 0.000 1 278 292 79 ALA N N 123.010 0.241 1 279 293 80 PHE H H 8.138 0.035 1 280 293 80 PHE CA C 61.209 0.033 1 281 293 80 PHE CB C 38.232 0.000 1 282 293 80 PHE N N 118.942 0.005 1 283 294 81 ILE H H 8.827 0.014 1 284 294 81 ILE CA C 64.435 0.024 1 285 294 81 ILE CB C 37.299 0.069 1 286 294 81 ILE N N 120.344 0.041 1 287 295 82 SER H H 7.861 0.020 1 288 295 82 SER CA C 60.399 0.045 1 289 295 82 SER CB C 62.212 0.064 1 290 295 82 SER N N 114.649 0.039 1 291 296 83 GLU H H 7.867 0.011 1 292 296 83 GLU CA C 56.897 0.035 1 293 296 83 GLU CB C 29.351 0.080 1 294 296 83 GLU N N 119.340 0.052 1 295 297 84 ASN H H 7.449 0.012 1 296 297 84 ASN CA C 52.504 0.014 1 297 297 84 ASN CB C 38.088 0.115 1 298 297 84 ASN N N 116.031 0.056 1 299 298 85 GLY H H 8.003 0.012 1 300 298 85 GLY CA C 45.896 0.050 1 301 298 85 GLY N N 108.993 0.036 1 302 299 86 TRP H H 7.555 0.009 1 303 299 86 TRP HE1 H 10.199 0.015 1 304 299 86 TRP CA C 56.164 0.028 1 305 299 86 TRP CB C 28.658 0.096 1 306 299 86 TRP N N 119.219 0.041 1 307 299 86 TRP NE1 N 129.904 0.032 1 308 300 87 VAL H H 7.403 0.014 1 309 300 87 VAL CA C 61.781 0.031 1 310 300 87 VAL CB C 31.816 0.024 1 311 300 87 VAL N N 121.159 0.059 1 312 301 88 GLU H H 7.997 0.009 1 313 301 88 GLU CA C 55.756 0.031 1 314 301 88 GLU CB C 29.371 0.076 1 315 301 88 GLU N N 121.900 0.110 1 316 302 89 ASP H H 7.976 0.014 1 317 302 89 ASP CA C 53.468 0.041 1 318 302 89 ASP CB C 40.339 0.066 1 319 302 89 ASP N N 120.822 0.043 1 320 303 90 TYR H H 7.466 0.010 1 321 303 90 TYR CA C 58.471 0.038 1 322 303 90 TYR CB C 38.567 0.000 1 323 303 90 TYR N N 124.998 0.030 1 stop_ save_