data_50481 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone resonance assignments of human Atg3 P21A with deletion of 90 to 190 residues in ficelle ; _BMRB_accession_number 50481 _BMRB_flat_file_name bmr50481.str _Entry_type original _Submission_date 2020-09-24 _Accession_date 2020-09-24 _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 Ye Yansheng . . 2 Tyndall Erin R. . 3 Tian fang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 314 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50470 'Human Atg3 without N-terminal 25 resides' 50479 'human Atg3 with deletion of residues 90-190' 50480 'human Atg3 with deletion of 90 to 190 residues in bicelles' stop_ _Original_release_date 2020-09-24 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; An N-terminal conserved region in human Atg3 couples membrane curvature sensitivity to conjugase activity during autophagy ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyndall Erin R. . 2 Ye Yansheng . . 3 Bui Van . . 4 Tang Zhenyuan . . 5 Shen Yan . . 6 Jiang Xuejun . . 7 Flanagan John M. . 8 Wang Hong-Gang . . 9 Tian fang . . stop_ _Journal_abbreviation 'Nature Communications' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'human Atg3 P21A_d90-190' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Atg3 P21A_d90-190' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; MQNVINTVKGKALEVAEYLT AVLKESKFKETGVITPEEFV AAGDHLVHHCPTWQWATGEE LKVKAYLPTGKQFLVTKNVP CYKRCKQMEEDAILQTRTYD LYITYDKYYQTPRLWLFGYD EQRQPLTVEHMYEDISQDHV KKTVTIENHPHLPPPPMCSV HPCRHAEVMKKIIETVAEGG GELGVHMYLLIFLKFVQAVI PTIEYDYTRHFTM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ASN 4 VAL 5 ILE 6 ASN 7 THR 8 VAL 9 LYS 10 GLY 11 LYS 12 ALA 13 LEU 14 GLU 15 VAL 16 ALA 17 GLU 18 TYR 19 LEU 20 THR 21 ALA 22 VAL 23 LEU 24 LYS 25 GLU 26 SER 27 LYS 28 PHE 29 LYS 30 GLU 31 THR 32 GLY 33 VAL 34 ILE 35 THR 36 PRO 37 GLU 38 GLU 39 PHE 40 VAL 41 ALA 42 ALA 43 GLY 44 ASP 45 HIS 46 LEU 47 VAL 48 HIS 49 HIS 50 CYS 51 PRO 52 THR 53 TRP 54 GLN 55 TRP 56 ALA 57 THR 58 GLY 59 GLU 60 GLU 61 LEU 62 LYS 63 VAL 64 LYS 65 ALA 66 TYR 67 LEU 68 PRO 69 THR 70 GLY 71 LYS 72 GLN 73 PHE 74 LEU 75 VAL 76 THR 77 LYS 78 ASN 79 VAL 80 PRO 81 CYS 82 TYR 83 LYS 84 ARG 85 CYS 86 LYS 87 GLN 88 MET 89 GLU 90 GLU 91 ASP 92 ALA 93 ILE 94 LEU 95 GLN 96 THR 97 ARG 98 THR 99 TYR 100 ASP 101 LEU 102 TYR 103 ILE 104 THR 105 TYR 106 ASP 107 LYS 108 TYR 109 TYR 110 GLN 111 THR 112 PRO 113 ARG 114 LEU 115 TRP 116 LEU 117 PHE 118 GLY 119 TYR 120 ASP 121 GLU 122 GLN 123 ARG 124 GLN 125 PRO 126 LEU 127 THR 128 VAL 129 GLU 130 HIS 131 MET 132 TYR 133 GLU 134 ASP 135 ILE 136 SER 137 GLN 138 ASP 139 HIS 140 VAL 141 LYS 142 LYS 143 THR 144 VAL 145 THR 146 ILE 147 GLU 148 ASN 149 HIS 150 PRO 151 HIS 152 LEU 153 PRO 154 PRO 155 PRO 156 PRO 157 MET 158 CYS 159 SER 160 VAL 161 HIS 162 PRO 163 CYS 164 ARG 165 HIS 166 ALA 167 GLU 168 VAL 169 MET 170 LYS 171 LYS 172 ILE 173 ILE 174 GLU 175 THR 176 VAL 177 ALA 178 GLU 179 GLY 180 GLY 181 GLY 182 GLU 183 LEU 184 GLY 185 VAL 186 HIS 187 MET 188 TYR 189 LEU 190 LEU 191 ILE 192 PHE 193 LEU 194 LYS 195 PHE 196 VAL 197 GLN 198 ALA 199 VAL 200 ILE 201 PRO 202 THR 203 ILE 204 GLU 205 TYR 206 ASP 207 TYR 208 THR 209 ARG 210 HIS 211 PHE 212 THR 213 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28a 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 $entity_1 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' TCEP 2 mM 'natural abundance' HEPES 50 mM 'natural abundance' DHPC 200 mM 'natural abundance' DMPC 25 mM 'natural abundance' DMPG 10 mM 'natural abundance' LPE 15 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'NMRPipe, NMRView' _Version . loop_ _Task 'data processing and analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _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_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D HNCO' '3D HNCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'human Atg3 P21A_d90-190' _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 3 3 ASN C C 177.9200 0.4 1 2 3 3 ASN CA C 55.4800 0.4 1 3 4 4 VAL H H 7.9850 0.04 1 4 4 4 VAL C C 177.6000 0.4 1 5 4 4 VAL CA C 65.8700 0.4 1 6 4 4 VAL N N 122.3700 0.2 1 7 5 5 ILE H H 8.2150 0.04 1 8 5 5 ILE C C 177.6000 0.4 1 9 5 5 ILE CA C 64.7000 0.4 1 10 5 5 ILE N N 120.9300 0.2 1 11 6 6 ASN H H 8.4000 0.04 1 12 6 6 ASN C C 178.7100 0.4 1 13 6 6 ASN CA C 55.8400 0.4 1 14 6 6 ASN N N 118.6100 0.2 1 15 7 7 THR H H 8.1570 0.04 1 16 7 7 THR C C 176.4500 0.4 1 17 7 7 THR CA C 65.9500 0.4 1 18 7 7 THR N N 119.1000 0.2 1 19 8 8 VAL H H 8.3230 0.04 1 20 8 8 VAL C C 177.1300 0.4 1 21 8 8 VAL CA C 66.1900 0.4 1 22 8 8 VAL N N 122.3500 0.2 1 23 9 9 LYS H H 8.5800 0.04 1 24 9 9 LYS C C 178.4200 0.4 1 25 9 9 LYS CA C 60.0000 0.4 1 26 9 9 LYS N N 120.0700 0.2 1 27 10 10 GLY H H 8.0340 0.04 1 28 10 10 GLY C C 176.9400 0.4 1 29 10 10 GLY CA C 46.6400 0.4 1 30 10 10 GLY N N 105.5200 0.2 1 31 11 11 LYS H H 8.0230 0.04 1 32 11 11 LYS C C 178.3200 0.4 1 33 11 11 LYS CA C 56.6700 0.4 1 34 11 11 LYS N N 121.4300 0.2 1 35 12 12 ALA H H 8.4840 0.04 1 36 12 12 ALA C C 179.1300 0.4 1 37 12 12 ALA CA C 55.1000 0.4 1 38 12 12 ALA N N 122.3400 0.2 1 39 13 13 LEU H H 8.0020 0.04 1 40 13 13 LEU C C 179.2800 0.4 1 41 13 13 LEU CA C 57.4600 0.4 1 42 13 13 LEU N N 118.1600 0.2 1 43 14 14 GLU H H 7.8060 0.04 1 44 14 14 GLU C C 180.0600 0.4 1 45 14 14 GLU CA C 59.2400 0.4 1 46 14 14 GLU N N 120.9500 0.2 1 47 15 15 VAL H H 8.2270 0.04 1 48 15 15 VAL C C 177.5100 0.4 1 49 15 15 VAL CA C 65.7900 0.4 1 50 15 15 VAL N N 120.5300 0.2 1 51 16 16 ALA H H 8.3750 0.04 1 52 16 16 ALA C C 180.0700 0.4 1 53 16 16 ALA CA C 55.2600 0.4 1 54 16 16 ALA N N 122.8400 0.2 1 55 17 17 GLU H H 8.3870 0.04 1 56 17 17 GLU C C 178.8800 0.4 1 57 17 17 GLU CA C 59.3000 0.4 1 58 17 17 GLU N N 119.5500 0.2 1 59 31 31 THR C C 175.4000 0.4 1 60 32 32 GLY H H 8.6600 0.04 1 61 32 32 GLY C C 172.8900 0.4 1 62 32 32 GLY CA C 45.6600 0.4 1 63 32 32 GLY N N 111.1100 0.2 1 64 33 33 VAL H H 7.1660 0.04 1 65 33 33 VAL C C 175.7500 0.4 1 66 33 33 VAL CA C 60.1700 0.4 1 67 33 33 VAL N N 113.4400 0.2 1 68 34 34 ILE H H 8.6060 0.04 1 69 34 34 ILE C C 176.3300 0.4 1 70 34 34 ILE CA C 58.3400 0.4 1 71 34 34 ILE N N 112.4100 0.2 1 72 35 35 THR H H 9.3360 0.04 1 73 35 35 THR C C 173.6600 0.4 1 74 35 35 THR CA C 59.9600 0.4 1 75 35 35 THR N N 116.7600 0.2 1 76 36 36 PRO C C 178.0300 0.4 1 77 36 36 PRO CA C 65.3800 0.4 1 78 37 37 GLU H H 8.3500 0.04 1 79 37 37 GLU C C 180.3400 0.4 1 80 37 37 GLU CA C 60.2300 0.4 1 81 37 37 GLU N N 116.2500 0.2 1 82 38 38 GLU H H 7.7400 0.04 1 83 38 38 GLU C C 178.2900 0.4 1 84 38 38 GLU CA C 58.4400 0.4 1 85 38 38 GLU N N 122.8600 0.2 1 86 39 39 PHE H H 8.3950 0.04 1 87 39 39 PHE C C 176.8500 0.4 1 88 39 39 PHE CA C 61.4300 0.4 1 89 39 39 PHE N N 121.1200 0.2 1 90 40 40 VAL H H 8.0090 0.04 1 91 40 40 VAL C C 177.7500 0.4 1 92 40 40 VAL CA C 65.7700 0.4 1 93 40 40 VAL N N 119.5600 0.2 1 94 41 41 ALA H H 7.7230 0.04 1 95 41 41 ALA C C 181.6000 0.4 1 96 41 41 ALA CA C 54.8100 0.4 1 97 41 41 ALA N N 122.3600 0.2 1 98 42 42 ALA H H 8.7150 0.04 1 99 42 42 ALA C C 181.5400 0.4 1 100 42 42 ALA CA C 53.6200 0.4 1 101 42 42 ALA N N 121.9100 0.2 1 102 43 43 GLY H H 9.1550 0.04 1 103 43 43 GLY C C 174.3600 0.4 1 104 43 43 GLY CA C 47.3100 0.4 1 105 43 43 GLY N N 113.4600 0.2 1 106 44 44 ASP H H 9.4120 0.04 1 107 44 44 ASP C C 179.3300 0.4 1 108 44 44 ASP CA C 57.0900 0.4 1 109 44 44 ASP N N 122.9900 0.2 1 110 45 45 HIS H H 7.8060 0.04 1 111 45 45 HIS C C 177.4000 0.4 1 112 45 45 HIS CA C 60.4200 0.4 1 113 45 45 HIS N N 120.9500 0.2 1 114 46 46 LEU H H 7.7280 0.04 1 115 46 46 LEU C C 177.2000 0.4 1 116 46 46 LEU CA C 58.7300 0.4 1 117 46 46 LEU N N 120.4900 0.2 1 118 47 47 VAL H H 8.2570 0.04 1 119 47 47 VAL C C 178.1000 0.4 1 120 47 47 VAL CA C 64.5400 0.4 1 121 47 47 VAL N N 115.7900 0.2 1 122 48 48 HIS H H 7.6110 0.04 1 123 48 48 HIS C C 176.9400 0.4 1 124 48 48 HIS CA C 58.5300 0.4 1 125 48 48 HIS N N 117.6600 0.2 1 126 49 49 HIS H H 7.5920 0.04 1 127 49 49 HIS C C 176.3200 0.4 1 128 49 49 HIS CA C 59.0800 0.4 1 129 49 49 HIS N N 115.5100 0.2 1 130 50 50 CYS H H 8.8790 0.04 1 131 50 50 CYS C C 172.4100 0.4 1 132 50 50 CYS CA C 55.9900 0.4 1 133 50 50 CYS N N 119.0800 0.2 1 134 51 51 PRO C C 177.8000 0.4 1 135 51 51 PRO CA C 64.7800 0.4 1 136 52 52 THR H H 7.4910 0.04 1 137 52 52 THR C C 176.9600 0.4 1 138 52 52 THR CA C 63.4000 0.4 1 139 52 52 THR N N 110.6500 0.2 1 140 53 53 TRP H H 8.8590 0.04 1 141 53 53 TRP C C 174.5800 0.4 1 142 53 53 TRP CA C 56.7700 0.4 1 143 53 53 TRP N N 128.4500 0.2 1 144 54 54 GLN H H 8.6900 0.04 1 145 54 54 GLN C C 175.6000 0.4 1 146 54 54 GLN CA C 53.4800 0.4 1 147 54 54 GLN N N 115.3500 0.2 1 148 55 55 TRP H H 8.4840 0.04 1 149 55 55 TRP C C 177.1400 0.4 1 150 55 55 TRP CA C 57.3300 0.4 1 151 55 55 TRP N N 120.9800 0.2 1 152 56 56 ALA H H 8.9860 0.04 1 153 56 56 ALA C C 175.5200 0.4 1 154 56 56 ALA CA C 50.7200 0.4 1 155 56 56 ALA N N 124.2300 0.2 1 156 57 57 THR H H 7.8730 0.04 1 157 57 57 THR C C 174.4500 0.4 1 158 57 57 THR CA C 64.3400 0.4 1 159 57 57 THR N N 115.1700 0.2 1 160 58 58 GLY H H 8.0610 0.04 1 161 58 58 GLY C C 173.4000 0.4 1 162 58 58 GLY CA C 44.1000 0.4 1 163 58 58 GLY N N 107.8100 0.2 1 164 59 59 GLU H H 8.5990 0.04 1 165 59 59 GLU C C 179.6100 0.4 1 166 59 59 GLU CA C 57.0600 0.4 1 167 59 59 GLU N N 120.4900 0.2 1 168 60 60 GLU H H 9.1030 0.04 1 169 60 60 GLU C C 178.9800 0.4 1 170 60 60 GLU CA C 59.8800 0.4 1 171 60 60 GLU N N 128.4400 0.2 1 172 61 61 LEU H H 8.5240 0.04 1 173 61 61 LEU C C 177.9000 0.4 1 174 61 61 LEU CA C 56.0700 0.4 1 175 61 61 LEU N N 116.7400 0.2 1 176 62 62 LYS H H 7.5590 0.04 1 177 62 62 LYS C C 174.8200 0.4 1 178 62 62 LYS CA C 55.4800 0.4 1 179 62 62 LYS N N 117.6700 0.2 1 180 63 63 VAL H H 6.8300 0.04 1 181 63 63 VAL C C 177.4100 0.4 1 182 63 63 VAL CA C 63.2300 0.4 1 183 63 63 VAL N N 120.9500 0.2 1 184 64 64 LYS H H 10.0700 0.04 1 185 64 64 LYS C C 178.1000 0.4 1 186 64 64 LYS CA C 52.7000 0.4 1 187 64 64 LYS N N 128.9200 0.2 1 188 65 65 ALA H H 8.7070 0.04 1 189 65 65 ALA C C 177.0100 0.4 1 190 65 65 ALA CA C 53.1600 0.4 1 191 65 65 ALA N N 124.6500 0.2 1 192 66 66 TYR H H 6.2070 0.04 1 193 66 66 TYR C C 174.0200 0.4 1 194 66 66 TYR CA C 55.0200 0.4 1 195 66 66 TYR N N 108.9300 0.2 1 196 67 67 LEU H H 7.2640 0.04 1 197 67 67 LEU C C 172.7200 0.4 1 198 67 67 LEU CA C 51.8100 0.4 1 199 67 67 LEU N N 125.0900 0.2 1 200 68 68 PRO C C 179.9400 0.4 1 201 69 69 THR H H 8.8080 0.04 1 202 69 69 THR C C 175.2700 0.4 1 203 69 69 THR CA C 66.7600 0.4 1 204 69 69 THR N N 123.8000 0.2 1 205 70 70 GLY H H 8.3490 0.04 1 206 70 70 GLY C C 173.1700 0.4 1 207 70 70 GLY CA C 44.2100 0.4 1 208 70 70 GLY N N 105.0200 0.2 1 209 71 71 LYS H H 7.2240 0.04 1 210 71 71 LYS C C 171.0800 0.4 1 211 71 71 LYS CA C 54.3700 0.4 1 212 71 71 LYS N N 121.5000 0.2 1 213 72 72 GLN H H 6.7320 0.04 1 214 72 72 GLN C C 175.7900 0.4 1 215 72 72 GLN CA C 56.4800 0.4 1 216 72 72 GLN N N 114.3600 0.2 1 217 73 73 PHE H H 7.6910 0.04 1 218 73 73 PHE C C 171.5700 0.4 1 219 73 73 PHE CA C 55.7200 0.4 1 220 73 73 PHE N N 108.7800 0.2 1 221 74 74 LEU H H 9.0880 0.04 1 222 74 74 LEU C C 176.9500 0.4 1 223 74 74 LEU CA C 53.5800 0.4 1 224 74 74 LEU N N 121.4200 0.2 1 225 75 75 VAL H H 9.5010 0.04 1 226 75 75 VAL C C 173.2300 0.4 1 227 75 75 VAL CA C 58.4700 0.4 1 228 75 75 VAL N N 120.4700 0.2 1 229 76 76 THR H H 8.4220 0.04 1 230 76 76 THR C C 171.4400 0.4 1 231 76 76 THR CA C 59.8600 0.4 1 232 76 76 THR N N 124.7100 0.2 1 233 77 77 LYS H H 7.9370 0.04 1 234 77 77 LYS C C 176.7400 0.4 1 235 77 77 LYS CA C 54.5800 0.4 1 236 77 77 LYS N N 124.7200 0.2 1 237 78 78 ASN H H 8.5520 0.04 1 238 78 78 ASN C C 174.4400 0.4 1 239 78 78 ASN CA C 54.3600 0.4 1 240 78 78 ASN N N 117.6900 0.2 1 241 79 79 VAL H H 9.6250 0.04 1 242 79 79 VAL C C 174.8400 0.4 1 243 79 79 VAL CA C 59.9500 0.4 1 244 79 79 VAL N N 122.9200 0.2 1 245 80 80 PRO C C 175.2500 0.4 1 246 80 80 PRO CA C 63.0400 0.4 1 247 81 81 CYS H H 7.9950 0.04 1 248 81 81 CYS C C 175.1000 0.4 1 249 81 81 CYS CA C 57.4000 0.4 1 250 81 81 CYS N N 121.0500 0.2 1 251 82 82 TYR H H 9.3650 0.04 1 252 82 82 TYR C C 174.8400 0.4 1 253 82 82 TYR CA C 60.2700 0.4 1 254 82 82 TYR N N 127.9800 0.2 1 255 83 83 LYS H H 7.4240 0.04 1 256 83 83 LYS C C 174.2600 0.4 1 257 83 83 LYS CA C 53.8100 0.4 1 258 83 83 LYS N N 115.3200 0.2 1 259 84 84 ARG H H 8.3580 0.04 1 260 84 84 ARG C C 177.8000 0.4 1 261 84 84 ARG CA C 53.6200 0.4 1 262 84 84 ARG N N 119.0800 0.2 1 263 85 85 CYS H H 8.3720 0.04 1 264 85 85 CYS C C 175.9900 0.4 1 265 85 85 CYS CA C 61.6200 0.4 1 266 85 85 CYS N N 119.5300 0.2 1 267 86 86 LYS H H 8.0440 0.04 1 268 86 86 LYS C C 175.4600 0.4 1 269 86 86 LYS CA C 55.9300 0.4 1 270 86 86 LYS N N 119.5900 0.2 1 271 87 87 GLN H H 8.1350 0.04 1 272 87 87 GLN C C 175.9500 0.4 1 273 87 87 GLN CA C 55.9000 0.4 1 274 87 87 GLN N N 122.8200 0.2 1 275 88 88 MET H H 8.4410 0.04 1 276 88 88 MET C C 176.5700 0.4 1 277 88 88 MET CA C 55.2600 0.4 1 278 88 88 MET N N 124.1400 0.2 1 279 89 89 GLU H H 8.5680 0.04 1 280 89 89 GLU C C 177.1000 0.4 1 281 89 89 GLU CA C 56.6800 0.4 1 282 89 89 GLU N N 121.0800 0.2 1 283 90 90 GLU H H 8.4530 0.04 1 284 90 90 GLU C C 176.4200 0.4 1 285 90 90 GLU CA C 56.9800 0.4 1 286 90 90 GLU N N 120.9500 0.2 1 287 91 91 ASP H H 8.2120 0.04 1 288 91 91 ASP C C 175.8000 0.4 1 289 91 91 ASP CA C 53.9500 0.4 1 290 91 91 ASP N N 119.7200 0.2 1 291 92 92 ALA H H 7.7110 0.04 1 292 92 92 ALA C C 177.4500 0.4 1 293 92 92 ALA CA C 52.0500 0.4 1 294 92 92 ALA N N 123.7700 0.2 1 295 93 93 ILE H H 8.1000 0.04 1 296 93 93 ILE C C 176.0600 0.4 1 297 93 93 ILE CA C 60.7500 0.4 1 298 93 93 ILE N N 121.2500 0.2 1 299 94 94 LEU H H 8.4930 0.04 1 300 94 94 LEU C C 177.0200 0.4 1 301 94 94 LEU CA C 54.6100 0.4 1 302 94 94 LEU N N 128.4700 0.2 1 303 95 95 GLN H H 8.3540 0.04 1 304 95 95 GLN C C 175.4700 0.4 1 305 95 95 GLN CA C 54.8300 0.4 1 306 95 95 GLN N N 123.2100 0.2 1 307 96 96 THR H H 9.0770 0.04 1 308 96 96 THR C C 173.9200 0.4 1 309 96 96 THR CA C 63.6000 0.4 1 310 96 96 THR N N 124.5700 0.2 1 311 97 97 ARG H H 8.4990 0.04 1 312 97 97 ARG C C 175.0000 0.4 1 313 97 97 ARG CA C 53.9700 0.4 1 314 97 97 ARG N N 127.5800 0.2 1 315 98 98 THR H H 8.0770 0.04 1 316 98 98 THR C C 172.9500 0.4 1 317 98 98 THR CA C 59.0900 0.4 1 318 98 98 THR N N 109.4400 0.2 1 319 99 99 TYR H H 9.4960 0.04 1 320 99 99 TYR C C 175.2200 0.4 1 321 99 99 TYR CA C 57.3100 0.4 1 322 99 99 TYR N N 119.7800 0.2 1 323 100 100 ASP H H 9.4930 0.04 1 324 100 100 ASP C C 175.0100 0.4 1 325 100 100 ASP CA C 52.7000 0.4 1 326 100 100 ASP N N 121.9000 0.2 1 327 101 101 LEU H H 8.4860 0.04 1 328 101 101 LEU C C 175.0200 0.4 1 329 101 101 LEU CA C 53.2600 0.4 1 330 101 101 LEU N N 120.5800 0.2 1 331 102 102 TYR H H 9.2380 0.04 1 332 102 102 TYR C C 176.4000 0.4 1 333 102 102 TYR CA C 54.8200 0.4 1 334 102 102 TYR N N 114.8100 0.2 1 335 103 103 ILE H H 9.5290 0.04 1 336 103 103 ILE C C 177.0900 0.4 1 337 103 103 ILE CA C 60.3000 0.4 1 338 103 103 ILE N N 120.9700 0.2 1 339 104 104 THR C C 172.1600 0.4 1 340 104 104 THR CA C 59.2000 0.4 1 341 105 105 TYR H H 8.9160 0.04 1 342 105 105 TYR C C 174.8800 0.4 1 343 105 105 TYR CA C 57.0000 0.4 1 344 105 105 TYR N N 119.4000 0.2 1 345 106 106 ASP H H 8.1880 0.04 1 346 106 106 ASP CA C 52.7000 0.4 1 347 106 106 ASP N N 132.2400 0.2 1 348 109 109 TYR C C 175.2100 0.4 1 349 109 109 TYR CA C 59.9700 0.4 1 350 110 110 GLN H H 8.1330 0.04 1 351 110 110 GLN C C 173.4700 0.4 1 352 110 110 GLN CA C 56.7900 0.4 1 353 110 110 GLN N N 116.7300 0.2 1 354 111 111 THR H H 7.0400 0.04 1 355 111 111 THR CA C 58.1500 0.4 1 356 111 111 THR N N 105.1100 0.2 1 357 114 114 LEU C C 175.1600 0.4 1 358 115 115 TRP H H 9.5430 0.04 1 359 115 115 TRP C C 175.3200 0.4 1 360 115 115 TRP CA C 54.7900 0.4 1 361 115 115 TRP N N 127.4700 0.2 1 362 116 116 LEU H H 9.5140 0.04 1 363 116 116 LEU C C 175.4300 0.4 1 364 116 116 LEU CA C 54.5600 0.4 1 365 116 116 LEU N N 119.6100 0.2 1 366 117 117 PHE H H 8.9900 0.04 1 367 117 117 PHE C C 173.7000 0.4 1 368 117 117 PHE CA C 59.2100 0.4 1 369 117 117 PHE N N 122.8200 0.2 1 370 118 118 GLY H H 6.7860 0.04 1 371 118 118 GLY C C 170.9000 0.4 1 372 118 118 GLY CA C 44.5600 0.4 1 373 118 118 GLY N N 115.3000 0.2 1 374 119 119 TYR H H 8.8070 0.04 1 375 119 119 TYR C C 175.5500 0.4 1 376 119 119 TYR CA C 55.8400 0.4 1 377 119 119 TYR N N 115.8100 0.2 1 378 120 120 ASP H H 8.5240 0.04 1 379 120 120 ASP C C 178.8200 0.4 1 380 120 120 ASP CA C 51.6800 0.4 1 381 120 120 ASP N N 118.2500 0.2 1 382 121 121 GLU H H 8.8690 0.04 1 383 121 121 GLU C C 177.6100 0.4 1 384 121 121 GLU CA C 58.5800 0.4 1 385 121 121 GLU N N 119.5800 0.2 1 386 122 122 GLN H H 8.2120 0.04 1 387 122 122 GLN C C 175.2100 0.4 1 388 122 122 GLN CA C 55.1000 0.4 1 389 122 122 GLN N N 119.7200 0.2 1 390 123 123 ARG H H 8.3520 0.04 1 391 123 123 ARG C C 174.9600 0.4 1 392 123 123 ARG CA C 57.1600 0.4 1 393 123 123 ARG N N 115.3400 0.2 1 394 124 124 GLN H H 8.4810 0.04 1 395 124 124 GLN C C 174.6200 0.4 1 396 124 124 GLN CA C 52.6900 0.4 1 397 124 124 GLN N N 120.5000 0.2 1 398 125 125 PRO C C 177.5000 0.4 1 399 125 125 PRO CA C 62.6700 0.4 1 400 126 126 LEU H H 8.0810 0.04 1 401 126 126 LEU C C 177.5100 0.4 1 402 126 126 LEU CA C 53.3400 0.4 1 403 126 126 LEU N N 125.6700 0.2 1 404 127 127 THR H H 8.2820 0.04 1 405 127 127 THR C C 176.3400 0.4 1 406 127 127 THR CA C 60.5900 0.4 1 407 127 127 THR N N 111.5100 0.2 1 408 128 128 VAL H H 8.5540 0.04 1 409 128 128 VAL C C 176.5800 0.4 1 410 128 128 VAL CA C 66.6200 0.4 1 411 128 128 VAL N N 121.6200 0.2 1 412 129 129 GLU H H 8.1060 0.04 1 413 129 129 GLU C C 179.6900 0.4 1 414 129 129 GLU CA C 59.8300 0.4 1 415 129 129 GLU N N 116.8500 0.2 1 416 130 130 HIS H H 7.5150 0.04 1 417 130 130 HIS C C 180.0700 0.4 1 418 130 130 HIS CA C 58.4000 0.4 1 419 130 130 HIS N N 117.3100 0.2 1 420 131 131 MET H H 8.3840 0.04 1 421 131 131 MET C C 178.6000 0.4 1 422 131 131 MET CA C 59.9300 0.4 1 423 131 131 MET N N 124.2300 0.2 1 424 132 132 TYR H H 8.1750 0.04 1 425 132 132 TYR C C 178.5600 0.4 1 426 132 132 TYR CA C 58.8000 0.4 1 427 132 132 TYR N N 116.2700 0.2 1 428 133 133 GLU H H 7.6880 0.04 1 429 133 133 GLU C C 177.3400 0.4 1 430 133 133 GLU CA C 57.7800 0.4 1 431 133 133 GLU N N 116.6900 0.2 1 432 134 134 ASP H H 8.0800 0.04 1 433 134 134 ASP C C 173.5900 0.4 1 434 134 134 ASP CA C 55.2900 0.4 1 435 134 134 ASP N N 119.5700 0.2 1 436 135 135 ILE H H 7.1920 0.04 1 437 135 135 ILE C C 175.3700 0.4 1 438 135 135 ILE CA C 58.5800 0.4 1 439 135 135 ILE N N 121.3500 0.2 1 440 136 136 SER H H 8.9380 0.04 1 441 136 136 SER CA C 58.6100 0.4 1 442 136 136 SER N N 121.4400 0.2 1 443 144 144 VAL C C 176.1100 0.4 1 444 145 145 THR H H 8.7820 0.04 1 445 145 145 THR C C 172.1900 0.4 1 446 145 145 THR CA C 59.3400 0.4 1 447 145 145 THR N N 119.1000 0.2 1 448 146 146 ILE H H 8.3430 0.04 1 449 146 146 ILE C C 176.6900 0.4 1 450 146 146 ILE CA C 58.6400 0.4 1 451 146 146 ILE N N 121.9000 0.2 1 452 147 147 GLU H H 8.9110 0.04 1 453 147 147 GLU C C 174.8200 0.4 1 454 147 147 GLU CA C 54.3500 0.4 1 455 147 147 GLU N N 125.1900 0.2 1 456 148 148 ASN H H 8.8880 0.04 1 457 148 148 ASN C C 174.5600 0.4 1 458 148 148 ASN CA C 53.9000 0.4 1 459 148 148 ASN N N 122.3700 0.2 1 460 149 149 HIS H H 8.9020 0.04 1 461 149 149 HIS C C 175.8400 0.4 1 462 149 149 HIS CA C 54.0700 0.4 1 463 149 149 HIS N N 127.9900 0.2 1 464 150 150 PRO C C 176.8000 0.4 1 465 150 150 PRO CA C 63.3000 0.4 1 466 151 151 HIS H H 9.7710 0.04 1 467 151 151 HIS C C 172.7100 0.4 1 468 151 151 HIS CA C 54.6200 0.4 1 469 151 151 HIS N N 117.2300 0.2 1 470 152 152 LEU H H 6.7610 0.04 1 471 152 152 LEU C C 173.4700 0.4 1 472 152 152 LEU CA C 52.0400 0.4 1 473 152 152 LEU N N 120.9700 0.2 1 474 153 153 PRO C C 173.7400 0.4 1 475 153 153 PRO CA C 63.2200 0.4 1 476 157 157 MET H H 8.3720 0.04 1 477 157 157 MET C C 174.6000 0.4 1 478 157 157 MET CA C 53.9700 0.4 1 479 157 157 MET N N 116.2700 0.2 1 480 158 158 CYS H H 8.3070 0.04 1 481 158 158 CYS C C 174.6000 0.4 1 482 158 158 CYS CA C 59.0000 0.4 1 483 158 158 CYS N N 116.3200 0.2 1 484 170 170 LYS C C 178.2900 0.4 1 485 170 170 LYS CA C 59.5200 0.4 1 486 171 171 LYS H H 7.2950 0.04 1 487 171 171 LYS C C 179.9500 0.4 1 488 171 171 LYS CA C 57.8000 0.4 1 489 171 171 LYS N N 118.6200 0.2 1 490 172 172 ILE H H 8.0370 0.04 1 491 172 172 ILE CA C 64.2300 0.4 1 492 172 172 ILE N N 123.3100 0.2 1 493 173 173 ILE C C 178.7400 0.4 1 494 173 173 ILE CA C 65.4300 0.4 1 495 174 174 GLU H H 8.1040 0.04 1 496 174 174 GLU C C 178.9800 0.4 1 497 174 174 GLU CA C 58.7600 0.4 1 498 174 174 GLU N N 119.1600 0.2 1 499 175 175 THR H H 7.9590 0.04 1 500 175 175 THR CA C 66.2400 0.4 1 501 175 175 THR N N 117.1700 0.2 1 502 176 176 VAL C C 178.3700 0.4 1 503 176 176 VAL CA C 65.3000 0.4 1 504 177 177 ALA H H 8.1930 0.04 1 505 177 177 ALA CA C 54.0000 0.4 1 506 177 177 ALA N N 123.3600 0.2 1 507 179 179 GLY C C 174.9800 0.4 1 508 180 180 GLY H H 7.9340 0.04 1 509 180 180 GLY C C 174.8500 0.4 1 510 180 180 GLY CA C 45.1200 0.4 1 511 180 180 GLY N N 108.3600 0.2 1 512 181 181 GLY C C 173.4800 0.4 1 513 181 181 GLY CA C 44.4600 0.4 1 514 182 182 GLU H H 8.2310 0.04 1 515 182 182 GLU CA C 55.9700 0.4 1 516 182 182 GLU N N 120.8300 0.2 1 517 185 185 VAL C C 176.0500 0.4 1 518 185 185 VAL CA C 64.3000 0.4 1 519 186 186 HIS H H 8.1520 0.04 1 520 186 186 HIS C C 175.7300 0.4 1 521 186 186 HIS CA C 57.9700 0.4 1 522 186 186 HIS N N 117.6700 0.2 1 523 187 187 MET H H 7.2370 0.04 1 524 187 187 MET C C 177.9200 0.4 1 525 187 187 MET CA C 54.2700 0.4 1 526 187 187 MET N N 116.3900 0.2 1 527 188 188 TYR H H 7.9170 0.04 1 528 188 188 TYR C C 178.3900 0.4 1 529 188 188 TYR CA C 62.5900 0.4 1 530 188 188 TYR N N 119.5500 0.2 1 531 189 189 LEU H H 8.2570 0.04 1 532 189 189 LEU C C 178.2300 0.4 1 533 189 189 LEU CA C 56.6800 0.4 1 534 189 189 LEU N N 112.4700 0.2 1 535 190 190 LEU H H 7.1930 0.04 1 536 190 190 LEU C C 178.8700 0.4 1 537 190 190 LEU CA C 57.9600 0.4 1 538 190 190 LEU N N 120.5100 0.2 1 539 191 191 ILE H H 7.4420 0.04 1 540 191 191 ILE CA C 64.2000 0.4 1 541 191 191 ILE N N 118.6400 0.2 1 542 192 192 PHE CA C 60.9300 0.4 1 543 193 193 LEU H H 8.3050 0.04 1 544 193 193 LEU CA C 56.4700 0.4 1 545 193 193 LEU N N 117.2500 0.2 1 546 196 196 VAL C C 175.8100 0.4 1 547 197 197 GLN H H 6.7790 0.04 1 548 197 197 GLN N N 122.7600 0.2 1 549 198 198 ALA H H 6.9050 0.04 1 550 198 198 ALA C C 179.0800 0.4 1 551 198 198 ALA CA C 53.5300 0.4 1 552 198 198 ALA N N 115.3400 0.2 1 553 199 199 VAL H H 7.7510 0.04 1 554 199 199 VAL C C 174.8400 0.4 1 555 199 199 VAL CA C 64.0000 0.4 1 556 199 199 VAL N N 116.7500 0.2 1 557 200 200 ILE H H 6.8550 0.04 1 558 200 200 ILE CA C 57.4400 0.4 1 559 200 200 ILE N N 111.5500 0.2 1 560 201 201 PRO C C 178.8500 0.4 1 561 202 202 THR H H 9.2650 0.04 1 562 202 202 THR C C 174.3900 0.4 1 563 202 202 THR CA C 59.9500 0.4 1 564 202 202 THR N N 110.6100 0.2 1 565 203 203 ILE H H 7.3400 0.04 1 566 203 203 ILE C C 175.8000 0.4 1 567 203 203 ILE CA C 62.8000 0.4 1 568 203 203 ILE N N 126.2000 0.2 1 569 204 204 GLU H H 8.1180 0.04 1 570 204 204 GLU C C 175.7500 0.4 1 571 204 204 GLU CA C 55.9400 0.4 1 572 204 204 GLU N N 129.8700 0.2 1 573 205 205 TYR H H 7.3270 0.04 1 574 205 205 TYR C C 175.0400 0.4 1 575 205 205 TYR CA C 55.8800 0.4 1 576 205 205 TYR N N 119.0900 0.2 1 577 206 206 ASP H H 8.5630 0.04 1 578 206 206 ASP C C 176.2800 0.4 1 579 206 206 ASP CA C 54.1900 0.4 1 580 206 206 ASP N N 121.8400 0.2 1 581 207 207 TYR H H 7.8560 0.04 1 582 207 207 TYR C C 174.3700 0.4 1 583 207 207 TYR CA C 57.5000 0.4 1 584 207 207 TYR N N 118.6900 0.2 1 585 208 208 THR H H 7.2320 0.04 1 586 208 208 THR C C 174.1500 0.4 1 587 208 208 THR CA C 61.6100 0.4 1 588 208 208 THR N N 114.3900 0.2 1 589 209 209 ARG H H 8.0830 0.04 1 590 209 209 ARG C C 176.0000 0.4 1 591 209 209 ARG CA C 56.2300 0.4 1 592 209 209 ARG N N 123.3400 0.2 1 593 211 211 PHE C C 175.2600 0.4 1 594 211 211 PHE CA C 56.9800 0.4 1 595 212 212 THR H H 7.9780 0.04 1 596 212 212 THR C C 173.3300 0.4 1 597 212 212 THR CA C 61.2800 0.4 1 598 212 212 THR N N 116.2600 0.2 1 599 213 213 MET H H 7.9130 0.04 1 600 213 213 MET C C 180.6000 0.4 1 601 213 213 MET CA C 57.0000 0.4 1 602 213 213 MET N N 127.9900 0.2 1 stop_ save_