data_17550 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of the IDOL RING domain ; _BMRB_accession_number 17550 _BMRB_flat_file_name bmr17550.str _Entry_type original _Submission_date 2011-03-24 _Accession_date 2011-03-24 _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 GOULT BENJAMIN T. . 2 Fairall Louise . . 3 Tontonoz Peter . . 4 Schwabe John JW . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 "13C chemical shifts" 224 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-05 original author . stop_ _Original_release_date 2011-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21685362 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Li . . 2 Fairall Louise . . 3 Goult Benjamin T. . 4 Calkin Anna C. . 5 Hong Cynthia . . 6 Millard Christopher J. . 7 Tontonoz Peter . . 8 Schwabe John W.R. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 25 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1262 _Page_last 1274 _Year 2011 _Details . loop_ _Keyword IDOL stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RING _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RING $RING stop_ _System_molecular_weight 8851 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RING _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RING _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GAQQTRVLQEKLRKLKEAML CMVCCEEEINSTFCPCGHTV CCESCAAQLQSCPVCRSRVE HVQHVYLPTHTSLLNLTVI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 ALA 3 2 GLN 4 3 GLN 5 4 THR 6 5 ARG 7 6 VAL 8 7 LEU 9 8 GLN 10 9 GLU 11 10 LYS 12 11 LEU 13 12 ARG 14 13 LYS 15 14 LEU 16 15 LYS 17 16 GLU 18 17 ALA 19 18 MET 20 19 LEU 21 20 CYS 22 21 MET 23 22 VAL 24 23 CYS 25 24 CYS 26 25 GLU 27 26 GLU 28 27 GLU 29 28 ILE 30 29 ASN 31 30 SER 32 31 THR 33 32 PHE 34 33 CYS 35 34 PRO 36 35 CYS 37 36 GLY 38 37 HIS 39 38 THR 40 39 VAL 41 40 CYS 42 41 CYS 43 42 GLU 44 43 SER 45 44 CYS 46 45 ALA 47 46 ALA 48 47 GLN 49 48 LEU 50 49 GLN 51 50 SER 52 51 CYS 53 52 PRO 54 53 VAL 55 54 CYS 56 55 ARG 57 56 SER 58 57 ARG 59 58 VAL 60 59 GLU 61 60 HIS 62 61 VAL 63 62 GLN 64 63 HIS 65 64 VAL 66 65 TYR 67 66 LEU 68 67 PRO 69 68 THR 70 69 HIS 71 70 THR 72 71 SER 73 72 LEU 74 73 LEU 75 74 ASN 76 75 LEU 77 76 THR 78 77 VAL 79 78 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2YHN "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" 100.00 79 100.00 100.00 4.03e-48 PDB 2YHO "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" 100.00 79 100.00 100.00 4.03e-48 DBJ BAC28868 "unnamed protein product [Mus musculus]" 97.47 445 98.70 98.70 1.09e-44 DBJ BAC30716 "unnamed protein product [Mus musculus]" 97.47 380 98.70 98.70 3.41e-45 DBJ BAE35115 "unnamed protein product [Mus musculus]" 97.47 445 98.70 98.70 1.09e-44 DBJ BAE42721 "unnamed protein product [Mus musculus]" 97.47 445 98.70 98.70 1.07e-44 DBJ BAG37209 "unnamed protein product [Homo sapiens]" 97.47 445 100.00 100.00 2.71e-45 GB AAF18974 "myosin regulatory light chain interacting protein MIR [Homo sapiens]" 97.47 445 100.00 100.00 2.66e-45 GB AAG23789 "PP5242 [Homo sapiens]" 97.47 445 100.00 100.00 2.63e-45 GB AAH02860 "Myosin regulatory light chain interacting protein [Homo sapiens]" 97.47 445 100.00 100.00 2.66e-45 GB AAH10206 "Myosin regulatory light chain interacting protein [Mus musculus]" 97.47 445 98.70 98.70 8.43e-45 GB AAP35704 "myosin regulatory light chain interacting protein [Homo sapiens]" 97.47 445 100.00 100.00 2.66e-45 REF NP_001100814 "E3 ubiquitin-protein ligase MYLIP [Rattus norvegicus]" 97.47 445 100.00 100.00 2.83e-45 REF NP_001267155 "E3 ubiquitin-protein ligase MYLIP [Pan troglodytes]" 97.47 445 98.70 98.70 1.28e-44 REF NP_037394 "E3 ubiquitin-protein ligase MYLIP [Homo sapiens]" 97.47 445 100.00 100.00 2.66e-45 REF NP_722484 "E3 ubiquitin-protein ligase MYLIP [Mus musculus]" 97.47 445 98.70 98.70 1.09e-44 REF XP_002746247 "PREDICTED: E3 ubiquitin-protein ligase MYLIP isoform X1 [Callithrix jacchus]" 97.47 445 97.40 97.40 4.88e-44 SP D3ZDI6 "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" 97.47 445 100.00 100.00 2.83e-45 SP Q8BM54 "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" 97.47 445 98.70 98.70 1.09e-44 SP Q8WY64 "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" 97.47 445 100.00 100.00 2.66e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RING 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 $RING 'recombinant technology' . Escherichia coli Rosetta pLEICS-7 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 $RING 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 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 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '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 RING _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 2 ALA C C 178.663 0.2 1 2 1 2 ALA CA C 53.515 0.2 1 3 1 2 ALA CB C 19.113 0.2 1 4 2 3 GLN H H 8.689 0.02 1 5 2 3 GLN C C 177.032 0.2 1 6 2 3 GLN CA C 57.574 0.2 1 7 2 3 GLN CB C 28.470 0.2 1 8 2 3 GLN N N 119.310 0.2 1 9 3 4 GLN H H 8.259 0.02 1 10 3 4 GLN C C 177.791 0.2 1 11 3 4 GLN CA C 58.042 0.2 1 12 3 4 GLN CB C 28.588 0.2 1 13 3 4 GLN N N 119.896 0.2 1 14 4 5 THR H H 8.094 0.02 1 15 4 5 THR C C 175.313 0.2 1 16 4 5 THR CA C 65.763 0.2 1 17 4 5 THR CB C 68.866 0.2 1 18 4 5 THR N N 115.750 0.2 1 19 5 6 ARG H H 8.016 0.02 1 20 5 6 ARG C C 178.403 0.2 1 21 5 6 ARG CA C 58.983 0.2 1 22 5 6 ARG CB C 29.720 0.2 1 23 5 6 ARG N N 121.348 0.2 1 24 6 7 VAL H H 7.705 0.02 1 25 6 7 VAL C C 178.500 0.2 1 26 6 7 VAL CA C 65.934 0.2 1 27 6 7 VAL CB C 31.775 0.2 1 28 6 7 VAL N N 119.325 0.2 1 29 7 8 LEU H H 7.794 0.02 1 30 7 8 LEU C C 177.524 0.2 1 31 7 8 LEU CA C 58.029 0.2 1 32 7 8 LEU CB C 42.003 0.2 1 33 7 8 LEU N N 120.543 0.2 1 34 8 9 GLN H H 7.853 0.02 1 35 8 9 GLN C C 179.443 0.2 1 36 8 9 GLN CA C 59.782 0.2 1 37 8 9 GLN CB C 31.955 0.2 1 38 8 9 GLN N N 117.855 0.2 1 39 9 10 GLU H H 8.031 0.02 1 40 9 10 GLU C C 178.624 0.2 1 41 9 10 GLU CA C 59.083 0.2 1 42 9 10 GLU CB C 29.488 0.2 1 43 9 10 GLU N N 117.476 0.2 1 44 10 11 LYS H H 7.991 0.02 1 45 10 11 LYS C C 179.360 0.2 1 46 10 11 LYS CA C 59.717 0.2 1 47 10 11 LYS CB C 32.379 0.2 1 48 10 11 LYS N N 119.588 0.2 1 49 11 12 LEU H H 8.086 0.02 1 50 11 12 LEU C C 178.405 0.2 1 51 11 12 LEU CA C 57.917 0.2 1 52 11 12 LEU CB C 41.571 0.2 1 53 11 12 LEU N N 118.796 0.2 1 54 12 13 ARG H H 8.135 0.02 1 55 12 13 ARG C C 178.840 0.2 1 56 12 13 ARG CA C 59.897 0.2 1 57 12 13 ARG CB C 29.694 0.2 1 58 12 13 ARG N N 120.353 0.2 1 59 13 14 LYS H H 8.001 0.02 1 60 13 14 LYS C C 179.545 0.2 1 61 13 14 LYS CA C 58.894 0.2 1 62 13 14 LYS CB C 31.890 0.2 1 63 13 14 LYS N N 118.251 0.2 1 64 14 15 LEU H H 7.757 0.02 1 65 14 15 LEU C C 178.537 0.2 1 66 14 15 LEU CA C 58.039 0.2 1 67 14 15 LEU CB C 41.890 0.2 1 68 14 15 LEU N N 121.458 0.2 1 69 15 16 LYS H H 8.387 0.02 1 70 15 16 LYS C C 178.937 0.2 1 71 15 16 LYS CA C 59.545 0.2 1 72 15 16 LYS CB C 28.355 0.2 1 73 15 16 LYS N N 117.615 0.2 1 74 16 17 GLU H H 8.080 0.02 1 75 16 17 GLU C C 178.744 0.2 1 76 16 17 GLU CA C 59.162 0.2 1 77 16 17 GLU CB C 29.338 0.2 1 78 16 17 GLU N N 119.855 0.2 1 79 17 18 ALA H H 7.653 0.02 1 80 17 18 ALA C C 177.326 0.2 1 81 17 18 ALA CA C 53.641 0.2 1 82 17 18 ALA CB C 18.412 0.2 1 83 17 18 ALA N N 120.775 0.2 1 84 18 19 MET H H 7.167 0.02 1 85 18 19 MET C C 175.284 0.2 1 86 18 19 MET CA C 54.443 0.2 1 87 18 19 MET CB C 32.295 0.2 1 88 18 19 MET N N 112.421 0.2 1 89 19 20 LEU H H 7.137 0.02 1 90 19 20 LEU C C 175.457 0.2 1 91 19 20 LEU CA C 54.029 0.2 1 92 19 20 LEU CB C 43.659 0.2 1 93 19 20 LEU N N 119.731 0.2 1 94 20 21 CYS H H 8.599 0.02 1 95 20 21 CYS C C 177.361 0.2 1 96 20 21 CYS CA C 59.593 0.2 1 97 20 21 CYS CB C 32.508 0.2 1 98 20 21 CYS N N 122.405 0.2 1 99 21 22 MET H H 8.807 0.02 1 100 21 22 MET C C 175.417 0.2 1 101 21 22 MET CA C 58.256 0.2 1 102 21 22 MET CB C 33.059 0.2 1 103 21 22 MET N N 126.512 0.2 1 104 22 23 VAL H H 9.108 0.02 1 105 22 23 VAL C C 176.590 0.2 1 106 22 23 VAL CA C 65.434 0.2 1 107 22 23 VAL CB C 31.468 0.2 1 108 22 23 VAL N N 123.528 0.2 1 109 23 24 CYS H H 8.339 0.02 1 110 23 24 CYS C C 176.016 0.2 1 111 23 24 CYS CA C 59.592 0.2 1 112 23 24 CYS CB C 31.616 0.2 1 113 23 24 CYS N N 118.274 0.2 1 114 24 25 CYS H H 7.698 0.02 1 115 24 25 CYS C C 173.744 0.2 1 116 24 25 CYS CA C 60.225 0.2 1 117 24 25 CYS CB C 25.989 0.2 1 118 24 25 CYS N N 115.815 0.2 1 119 25 26 GLU H H 8.064 0.02 1 120 25 26 GLU C C 174.966 0.2 1 121 25 26 GLU CA C 57.270 0.2 1 122 25 26 GLU CB C 33.404 0.2 1 123 25 26 GLU N N 117.174 0.2 1 124 26 27 GLU H H 7.022 0.02 1 125 26 27 GLU C C 174.689 0.2 1 126 26 27 GLU CA C 54.290 0.2 1 127 26 27 GLU CB C 32.516 0.2 1 128 26 27 GLU N N 119.569 0.2 1 129 27 28 GLU H H 8.583 0.02 1 130 27 28 GLU C C 175.837 0.2 1 131 27 28 GLU CA C 56.438 0.2 1 132 27 28 GLU CB C 31.067 0.2 1 133 27 28 GLU N N 122.403 0.2 1 134 28 29 ILE H H 8.294 0.02 1 135 28 29 ILE HG2 H 0.678 0.02 1 136 28 29 ILE HD1 H 0.872 0.02 1 137 28 29 ILE C C 176.125 0.2 1 138 28 29 ILE CA C 63.880 0.2 1 139 28 29 ILE CB C 39.047 0.2 1 140 28 29 ILE CG2 C 17.065 0.2 1 141 28 29 ILE CD1 C 15.200 0.2 1 142 28 29 ILE N N 123.343 0.2 1 143 29 30 ASN H H 7.265 0.02 1 144 29 30 ASN C C 173.955 0.2 1 145 29 30 ASN CA C 52.485 0.2 1 146 29 30 ASN CB C 37.430 0.2 1 147 29 30 ASN N N 122.938 0.2 1 148 30 31 SER H H 7.339 0.02 1 149 30 31 SER C C 171.305 0.2 1 150 30 31 SER CA C 57.889 0.2 1 151 30 31 SER CB C 67.180 0.2 1 152 30 31 SER N N 111.557 0.2 1 153 31 32 THR H H 9.055 0.02 1 154 31 32 THR C C 173.594 0.2 1 155 31 32 THR CA C 61.179 0.2 1 156 31 32 THR CB C 70.977 0.2 1 157 31 32 THR N N 120.603 0.2 1 158 32 33 PHE H H 8.095 0.02 1 159 32 33 PHE C C 173.810 0.2 1 160 32 33 PHE CA C 57.887 0.2 1 161 32 33 PHE CB C 40.294 0.2 1 162 32 33 PHE N N 125.143 0.2 1 163 33 34 CYS H H 8.546 0.02 1 164 33 34 CYS CA C 55.291 0.2 1 165 33 34 CYS CB C 28.573 0.2 1 166 33 34 CYS N N 120.227 0.2 1 167 34 35 PRO C C 178.763 0.2 1 168 34 35 PRO CA C 64.429 0.2 1 169 34 35 PRO CB C 35.670 0.2 1 170 35 36 CYS H H 8.843 0.02 1 171 35 36 CYS C C 176.861 0.2 1 172 35 36 CYS CA C 63.039 0.2 1 173 35 36 CYS CB C 30.105 0.2 1 174 35 36 CYS N N 125.381 0.2 1 175 36 37 GLY H H 9.041 0.02 1 176 36 37 GLY C C 176.932 0.2 1 177 36 37 GLY CA C 46.819 0.2 1 178 36 37 GLY N N 110.828 0.2 1 179 37 38 HIS H H 9.044 0.02 1 180 37 38 HIS C C 174.535 0.2 1 181 37 38 HIS CA C 64.041 0.2 1 182 37 38 HIS CB C 29.722 0.2 1 183 37 38 HIS N N 125.204 0.2 1 184 38 39 THR H H 8.798 0.02 1 185 38 39 THR C C 173.367 0.2 1 186 38 39 THR CB C 69.599 0.2 1 187 38 39 THR N N 126.299 0.2 1 188 39 40 VAL H H 7.900 0.02 1 189 39 40 VAL C C 174.830 0.2 1 190 39 40 VAL CA C 60.544 0.2 1 191 39 40 VAL CB C 35.364 0.2 1 192 39 40 VAL N N 110.207 0.2 1 193 40 41 CYS H H 7.810 0.02 1 194 40 41 CYS C C 175.214 0.2 1 195 40 41 CYS CA C 57.672 0.2 1 196 40 41 CYS CB C 33.625 0.2 1 197 40 41 CYS N N 118.544 0.2 1 198 41 42 CYS H H 9.475 0.02 1 199 41 42 CYS C C 176.068 0.2 1 200 41 42 CYS CA C 57.818 0.2 1 201 41 42 CYS CB C 32.628 0.2 1 202 41 42 CYS N N 122.329 0.2 1 203 42 43 GLU H H 8.678 0.02 1 204 42 43 GLU C C 178.048 0.2 1 205 42 43 GLU CA C 59.857 0.2 1 206 42 43 GLU CB C 30.036 0.2 1 207 42 43 GLU N N 121.708 0.2 1 208 43 44 SER H H 7.991 0.02 1 209 43 44 SER C C 177.750 0.2 1 210 43 44 SER CA C 61.700 0.2 1 211 43 44 SER CB C 62.681 0.2 1 212 43 44 SER N N 114.513 0.2 1 213 44 45 CYS H H 8.581 0.02 1 214 44 45 CYS C C 179.068 0.2 1 215 44 45 CYS CA C 64.316 0.2 1 216 44 45 CYS CB C 29.613 0.2 1 217 44 45 CYS N N 124.555 0.2 1 218 45 46 ALA H H 8.799 0.02 1 219 45 46 ALA HA H 4.056 0.02 1 220 45 46 ALA HB H 1.195 0.02 1 221 45 46 ALA C C 179.228 0.2 1 222 45 46 ALA CA C 55.165 0.2 1 223 45 46 ALA CB C 20.074 0.2 1 224 45 46 ALA N N 120.264 0.2 1 225 46 47 ALA H H 7.559 0.02 1 226 46 47 ALA HA H 4.054 0.02 1 227 46 47 ALA HB H 1.496 0.02 1 228 46 47 ALA C C 178.229 0.2 1 229 46 47 ALA CA C 54.016 0.2 1 230 46 47 ALA CB C 18.735 0.2 1 231 46 47 ALA N N 115.072 0.2 1 232 47 48 GLN H H 7.286 0.02 1 233 47 48 GLN C C 175.944 0.2 1 234 47 48 GLN CA C 55.164 0.2 1 235 47 48 GLN CB C 29.640 0.2 1 236 47 48 GLN N N 112.556 0.2 1 237 48 49 LEU H H 7.246 0.02 1 238 48 49 LEU C C 175.829 0.2 1 239 48 49 LEU CA C 54.548 0.2 1 240 48 49 LEU CB C 42.888 0.2 1 241 48 49 LEU N N 120.340 0.2 1 242 49 50 GLN H H 8.494 0.02 1 243 49 50 GLN C C 176.183 0.2 1 244 49 50 GLN CA C 56.175 0.2 1 245 49 50 GLN CB C 29.631 0.2 1 246 49 50 GLN N N 118.937 0.2 1 247 50 51 SER H H 7.293 0.02 1 248 50 51 SER C C 172.012 0.2 1 249 50 51 SER CA C 56.039 0.2 1 250 50 51 SER CB C 65.168 0.2 1 251 50 51 SER N N 113.234 0.2 1 252 51 52 CYS H H 8.570 0.02 1 253 51 52 CYS CA C 56.037 0.2 1 254 51 52 CYS CB C 31.315 0.2 1 255 51 52 CYS N N 127.183 0.2 1 256 52 53 PRO C C 176.297 0.2 1 257 52 53 PRO CA C 64.161 0.2 1 258 52 53 PRO CB C 31.991 0.2 1 259 53 54 VAL H H 9.075 0.02 1 260 53 54 VAL C C 176.788 0.2 1 261 53 54 VAL CA C 64.963 0.2 1 262 53 54 VAL CB C 32.857 0.2 1 263 53 54 VAL N N 121.380 0.2 1 264 54 55 CYS H H 8.206 0.02 1 265 54 55 CYS C C 175.837 0.2 1 266 54 55 CYS CA C 58.020 0.2 1 267 54 55 CYS CB C 32.934 0.2 1 268 54 55 CYS N N 117.844 0.2 1 269 55 56 ARG H H 7.975 0.02 1 270 55 56 ARG C C 175.233 0.2 1 271 55 56 ARG CA C 58.035 0.2 1 272 55 56 ARG CB C 26.475 0.2 1 273 55 56 ARG N N 117.503 0.2 1 274 56 57 SER H H 8.297 0.02 1 275 56 57 SER C C 174.107 0.2 1 276 56 57 SER CA C 59.812 0.2 1 277 56 57 SER CB C 63.673 0.2 1 278 56 57 SER N N 117.508 0.2 1 279 57 58 ARG H H 8.639 0.02 1 280 57 58 ARG C C 176.762 0.2 1 281 57 58 ARG CA C 57.308 0.2 1 282 57 58 ARG CB C 29.838 0.2 1 283 57 58 ARG N N 125.269 0.2 1 284 58 59 VAL H H 7.846 0.02 1 285 58 59 VAL C C 175.932 0.2 1 286 58 59 VAL CA C 62.530 0.2 1 287 58 59 VAL CB C 32.574 0.2 1 288 58 59 VAL N N 127.159 0.2 1 289 59 60 GLU H H 9.268 0.02 1 290 59 60 GLU C C 177.007 0.2 1 291 59 60 GLU CA C 57.955 0.2 1 292 59 60 GLU CB C 30.231 0.2 1 293 59 60 GLU N N 129.373 0.2 1 294 60 61 HIS H H 7.810 0.02 1 295 60 61 HIS C C 171.661 0.2 1 296 60 61 HIS CA C 55.433 0.2 1 297 60 61 HIS CB C 31.482 0.2 1 298 60 61 HIS N N 112.895 0.2 1 299 61 62 VAL H H 8.463 0.02 1 300 61 62 VAL C C 174.342 0.2 1 301 61 62 VAL CA C 61.718 0.2 1 302 61 62 VAL CB C 32.828 0.2 1 303 61 62 VAL N N 123.654 0.2 1 304 62 63 GLN H H 8.568 0.02 1 305 62 63 GLN C C 174.312 0.2 1 306 62 63 GLN CA C 52.164 0.2 1 307 62 63 GLN CB C 31.601 0.2 1 308 62 63 GLN N N 128.515 0.2 1 309 63 64 HIS H H 9.196 0.02 1 310 63 64 HIS C C 174.090 0.2 1 311 63 64 HIS CA C 57.019 0.2 1 312 63 64 HIS CB C 28.179 0.2 1 313 63 64 HIS N N 130.053 0.2 1 314 64 65 VAL H H 7.467 0.02 1 315 64 65 VAL C C 173.949 0.2 1 316 64 65 VAL CA C 59.318 0.2 1 317 64 65 VAL CB C 35.336 0.2 1 318 64 65 VAL N N 120.821 0.2 1 319 65 66 TYR H H 7.568 0.02 1 320 65 66 TYR C C 176.112 0.2 1 321 65 66 TYR CA C 56.645 0.2 1 322 65 66 TYR CB C 38.449 0.2 1 323 65 66 TYR N N 121.836 0.2 1 324 66 67 LEU H H 8.570 0.02 1 325 66 67 LEU CA C 53.109 0.2 1 326 66 67 LEU CB C 41.775 0.2 1 327 66 67 LEU N N 124.738 0.2 1 328 69 70 HIS H H 7.726 0.02 1 329 69 70 HIS N N 120.249 0.2 1 330 71 72 SER C C 175.702 0.2 1 331 71 72 SER CA C 63.367 0.2 1 332 72 73 LEU H H 7.923 0.02 1 333 72 73 LEU C C 177.988 0.2 1 334 72 73 LEU CA C 56.426 0.2 1 335 72 73 LEU CB C 42.002 0.2 1 336 72 73 LEU N N 121.759 0.2 1 337 73 74 LEU H H 7.587 0.02 1 338 73 74 LEU C C 177.341 0.2 1 339 73 74 LEU CA C 56.203 0.2 1 340 73 74 LEU CB C 41.943 0.2 1 341 73 74 LEU N N 119.005 0.2 1 342 74 75 ASN H H 7.824 0.02 1 343 74 75 ASN HA H 4.615 0.02 1 344 74 75 ASN HB2 H 2.815 0.02 1 345 74 75 ASN HB3 H 2.675 0.02 1 346 74 75 ASN HD21 H 7.546 0.02 1 347 74 75 ASN HD22 H 6.882 0.02 1 348 74 75 ASN C C 175.277 0.2 1 349 74 75 ASN CA C 53.472 0.2 1 350 74 75 ASN CB C 38.635 0.2 1 351 74 75 ASN N N 116.706 0.2 1 352 74 75 ASN ND2 N 112.636 0.2 1 353 75 76 LEU H H 7.837 0.02 1 354 75 76 LEU HA H 4.270 0.02 1 355 75 76 LEU HB2 H 1.639 0.02 1 356 75 76 LEU HB3 H 1.557 0.02 1 357 75 76 LEU HD1 H 0.805 0.02 1 358 75 76 LEU C C 176.659 0.2 1 359 75 76 LEU CA C 55.392 0.2 1 360 75 76 LEU CB C 42.328 0.2 1 361 75 76 LEU CD1 C 25.410 0.2 1 362 75 76 LEU N N 121.294 0.2 1 363 76 77 THR H H 7.914 0.02 1 364 76 77 THR HA H 4.217 0.02 1 365 76 77 THR HB H 4.149 0.02 1 366 76 77 THR HG2 H 1.111 0.02 1 367 76 77 THR C C 174.112 0.2 1 368 76 77 THR CA C 62.455 0.2 1 369 76 77 THR CB C 69.688 0.2 1 370 76 77 THR CG2 C 21.716 0.2 1 371 76 77 THR N N 113.888 0.2 1 372 77 78 VAL H H 7.879 0.02 1 373 77 78 VAL HA H 4.093 0.02 1 374 77 78 VAL HB H 2.015 0.02 1 375 77 78 VAL HG1 H 0.827 0.02 1 376 77 78 VAL HG2 H 0.826 0.02 1 377 77 78 VAL C C 174.701 0.2 1 378 77 78 VAL CA C 62.239 0.2 1 379 77 78 VAL CB C 32.728 0.2 1 380 77 78 VAL CG1 C 21.323 0.2 1 381 77 78 VAL CG2 C 20.520 0.2 1 382 77 78 VAL N N 121.717 0.2 1 383 78 79 ILE H H 7.592 0.02 1 384 78 79 ILE HA H 3.967 0.02 1 385 78 79 ILE HB H 1.714 0.02 1 386 78 79 ILE HG12 H 1.347 0.02 1 387 78 79 ILE HG13 H 1.026 0.02 1 388 78 79 ILE HG2 H 0.798 0.02 1 389 78 79 ILE HD1 H 0.763 0.02 1 390 78 79 ILE CA C 62.868 0.2 1 391 78 79 ILE CB C 39.565 0.2 1 392 78 79 ILE CG1 C 27.362 0.2 1 393 78 79 ILE CG2 C 18.197 0.2 1 394 78 79 ILE CD1 C 13.603 0.2 1 395 78 79 ILE N N 128.294 0.2 1 stop_ save_