data_50479 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C resonance assignments for human Atg3 with deletion of residues 90-190 ; _BMRB_accession_number 50479 _BMRB_flat_file_name bmr50479.str _Entry_type original _Submission_date 2020-09-23 _Accession_date 2020-09-23 _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" 181 "13C chemical shifts" 571 "15N chemical shifts" 181 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' 50480 'human Atg3 with deletion of 90 to 190 residues in bicelles' 50481 'human Atg3 P21A with deletion of 90 to 190 residues in ficelle' 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 Shem Yan . . 6 Jian Xuejun . . 7 Flanagan John . . 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 . loop_ _Keyword Atg3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'human Atg3 with deletion of 90 to 190 residues' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hAtg3_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 PVLKESKFKETGVITPEEFV 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 PRO 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 '2H, 13C, and 15N-labled hAtg3_d90-190 in 50 mM Hepes, 150 mM NaCl, 2 mM cep, pH 6.5' 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' HEPES 50 mM 'natural abundance' TCEP 2 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 6.5 . 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 '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 hAtg3_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 1 1 MET C C 176.2000 0.3 1 2 1 1 MET CA C 55.2800 0.3 1 3 2 2 GLN H H 8.2780 0.04 1 4 2 2 GLN C C 175.5900 0.3 1 5 2 2 GLN CA C 55.6200 0.3 1 6 2 2 GLN CB C 28.5600 0.3 1 7 2 2 GLN N N 121.7800 0.2 1 8 3 3 ASN H H 8.3540 0.04 1 9 3 3 ASN C C 174.9700 0.3 1 10 3 3 ASN CA C 53.0900 0.3 1 11 3 3 ASN CB C 38.3300 0.3 1 12 3 3 ASN N N 120.4200 0.2 1 13 4 4 VAL H H 7.9580 0.04 1 14 4 4 VAL C C 176.0700 0.3 1 15 4 4 VAL CA C 62.1200 0.3 1 16 4 4 VAL CB C 31.6900 0.3 1 17 4 4 VAL N N 120.9400 0.2 1 18 5 5 ILE H H 8.1020 0.04 1 19 5 5 ILE C C 175.9300 0.3 1 20 5 5 ILE CA C 60.7000 0.3 1 21 5 5 ILE CB C 37.6000 0.3 1 22 5 5 ILE N N 124.6400 0.2 1 23 6 6 ASN H H 8.3820 0.04 1 24 6 6 ASN C C 175.2700 0.3 1 25 6 6 ASN CA C 52.8900 0.3 1 26 6 6 ASN CB C 38.2900 0.3 1 27 6 6 ASN N N 123.2900 0.2 1 28 7 7 THR H H 8.0280 0.04 1 29 7 7 THR C C 174.5700 0.3 1 30 7 7 THR CA C 61.5800 0.3 1 31 7 7 THR CB C 69.6200 0.3 1 32 7 7 THR N N 115.7400 0.2 1 33 8 8 VAL H H 8.0540 0.04 1 34 8 8 VAL C C 176.1900 0.3 1 35 8 8 VAL CA C 62.1400 0.3 1 36 8 8 VAL CB C 31.8400 0.3 1 37 8 8 VAL N N 123.2500 0.2 1 38 9 9 LYS H H 8.2770 0.04 1 39 9 9 LYS C C 177.0800 0.3 1 40 9 9 LYS CA C 56.1200 0.3 1 41 9 9 LYS CB C 32.0000 0.3 1 42 9 9 LYS N N 125.5900 0.2 1 43 10 10 GLY H H 8.2610 0.04 1 44 10 10 GLY C C 174.0200 0.3 1 45 10 10 GLY CA C 44.8300 0.3 1 46 10 10 GLY N N 110.5800 0.2 1 47 11 11 LYS H H 8.0240 0.04 1 48 11 11 LYS C C 176.3300 0.3 1 49 11 11 LYS CA C 55.8500 0.3 1 50 11 11 LYS CB C 32.1200 0.3 1 51 11 11 LYS N N 121.8400 0.2 1 52 12 12 ALA H H 8.2090 0.04 1 53 12 12 ALA C C 177.6000 0.3 1 54 12 12 ALA CA C 52.1100 0.3 1 55 12 12 ALA CB C 18.4000 0.3 1 56 12 12 ALA N N 125.6200 0.2 1 57 13 13 LEU H H 8.0740 0.04 1 58 13 13 LEU C C 177.3800 0.3 1 59 13 13 LEU CA C 54.8200 0.3 1 60 13 13 LEU CB C 41.4000 0.3 1 61 13 13 LEU N N 121.8400 0.2 1 62 14 14 GLU H H 8.2350 0.04 1 63 14 14 GLU C C 176.4000 0.3 1 64 14 14 GLU CA C 56.0900 0.3 1 65 14 14 GLU CB C 29.4000 0.3 1 66 14 14 GLU N N 122.3300 0.2 1 67 15 15 VAL H H 7.9850 0.04 1 68 15 15 VAL C C 175.7600 0.3 1 69 15 15 VAL CA C 61.7200 0.3 1 70 15 15 VAL N N 121.3800 0.2 1 71 16 16 ALA H H 8.1740 0.04 1 72 16 16 ALA C C 177.5800 0.3 1 73 16 16 ALA CA C 52.1100 0.3 1 74 16 16 ALA CB C 18.3900 0.3 1 75 16 16 ALA N N 127.9100 0.2 1 76 17 17 GLU H H 8.2000 0.04 1 77 17 17 GLU C C 176.0700 0.3 1 78 17 17 GLU CA C 56.4400 0.3 1 79 17 17 GLU CB C 29.3500 0.3 1 80 17 17 GLU N N 120.4400 0.2 1 81 18 18 TYR H H 7.8410 0.04 1 82 18 18 TYR C C 175.2400 0.3 1 83 18 18 TYR CA C 57.0700 0.3 1 84 18 18 TYR CB C 37.8800 0.3 1 85 18 18 TYR N N 120.4200 0.2 1 86 19 19 LEU H H 7.7790 0.04 1 87 19 19 LEU C C 176.5000 0.3 1 88 19 19 LEU CA C 54.0900 0.3 1 89 19 19 LEU CB C 41.4300 0.3 1 90 19 19 LEU N N 124.6600 0.2 1 91 20 20 THR H H 7.7290 0.04 1 92 20 20 THR C C 173.0500 0.3 1 93 20 20 THR CA C 59.7200 0.3 1 94 20 20 THR CB C 69.1100 0.3 1 95 20 20 THR N N 117.6200 0.2 1 96 21 21 PRO C C 177.1100 0.3 1 97 21 21 PRO CA C 63.2800 0.3 1 98 21 21 PRO CB C 31.2100 0.3 1 99 22 22 VAL H H 7.9340 0.04 1 100 22 22 VAL C C 176.6300 0.3 1 101 22 22 VAL CA C 62.4100 0.3 1 102 22 22 VAL CB C 31.2300 0.3 1 103 22 22 VAL N N 119.9700 0.2 1 104 23 23 LEU H H 8.0510 0.04 1 105 23 23 LEU C C 177.8700 0.3 1 106 23 23 LEU CA C 55.0900 0.3 1 107 23 23 LEU CB C 41.1100 0.3 1 108 23 23 LEU N N 126.0500 0.2 1 109 24 24 LYS H H 8.1680 0.04 1 110 24 24 LYS C C 176.8000 0.3 1 111 24 24 LYS CA C 56.6300 0.3 1 112 24 24 LYS CB C 31.9300 0.3 1 113 24 24 LYS N N 122.3600 0.2 1 114 25 25 GLU H H 8.1370 0.04 1 115 25 25 GLU C C 176.1800 0.3 1 116 25 25 GLU CA C 55.8500 0.3 1 117 25 25 GLU CB C 29.1300 0.3 1 118 25 25 GLU N N 120.8900 0.2 1 119 26 26 SER H H 8.0240 0.04 1 120 26 26 SER C C 176.1500 0.3 1 121 26 26 SER CA C 58.3300 0.3 1 122 26 26 SER CB C 63.5300 0.3 1 123 26 26 SER N N 116.2200 0.2 1 124 27 27 LYS H H 8.9770 0.04 1 125 27 27 LYS C C 178.0900 0.3 1 126 27 27 LYS CA C 55.6700 0.3 1 127 27 27 LYS CB C 31.2900 0.3 1 128 27 27 LYS N N 127.4700 0.2 1 129 28 28 PHE H H 8.5290 0.04 1 130 28 28 PHE C C 176.4200 0.3 1 131 28 28 PHE CA C 60.3600 0.3 1 132 28 28 PHE CB C 38.2300 0.3 1 133 28 28 PHE N N 123.7200 0.2 1 134 29 29 LYS H H 7.7730 0.04 1 135 29 29 LYS C C 176.8500 0.3 1 136 29 29 LYS CA C 58.0200 0.3 1 137 29 29 LYS CB C 31.0700 0.3 1 138 29 29 LYS N N 119.3100 0.2 1 139 30 30 GLU H H 7.7810 0.04 1 140 30 30 GLU C C 177.8100 0.3 1 141 30 30 GLU CA C 57.3100 0.3 1 142 30 30 GLU CB C 30.1900 0.3 1 143 30 30 GLU N N 116.2200 0.2 1 144 31 31 THR H H 7.8830 0.04 1 145 31 31 THR C C 175.8300 0.3 1 146 31 31 THR CA C 61.4600 0.3 1 147 31 31 THR CB C 70.5400 0.3 1 148 31 31 THR N N 107.2800 0.2 1 149 32 32 GLY H H 8.4890 0.04 1 150 32 32 GLY C C 172.7200 0.3 1 151 32 32 GLY CA C 45.6200 0.3 1 152 32 32 GLY N N 111.0700 0.2 1 153 33 33 VAL H H 7.3110 0.04 1 154 33 33 VAL C C 175.2900 0.3 1 155 33 33 VAL CA C 59.8800 0.3 1 156 33 33 VAL CB C 31.9300 0.3 1 157 33 33 VAL N N 113.9700 0.2 1 158 34 34 ILE H H 8.4880 0.04 1 159 34 34 ILE C C 176.3400 0.3 1 160 34 34 ILE CA C 58.1200 0.3 1 161 34 34 ILE CB C 42.2300 0.3 1 162 34 34 ILE N N 111.5300 0.2 1 163 35 35 THR H H 9.2560 0.04 1 164 35 35 THR C C 173.6400 0.3 1 165 35 35 THR CA C 59.9500 0.3 1 166 35 35 THR CB C 67.8400 0.3 1 167 35 35 THR N N 116.6800 0.2 1 168 36 36 PRO C C 178.0300 0.3 1 169 36 36 PRO CA C 65.4200 0.3 1 170 36 36 PRO CB C 30.7700 0.3 1 171 37 37 GLU H H 8.3430 0.04 1 172 37 37 GLU C C 180.2600 0.3 1 173 37 37 GLU CA C 60.0500 0.3 1 174 37 37 GLU CB C 28.2200 0.3 1 175 37 37 GLU N N 115.7800 0.2 1 176 38 38 GLU H H 7.6190 0.04 1 177 38 38 GLU C C 178.0300 0.3 1 178 38 38 GLU CA C 58.4100 0.3 1 179 38 38 GLU CB C 28.4600 0.3 1 180 38 38 GLU N N 122.6600 0.2 1 181 39 39 PHE H H 8.3540 0.04 1 182 39 39 PHE C C 176.8100 0.3 1 183 39 39 PHE CA C 61.4600 0.3 1 184 39 39 PHE CB C 37.5400 0.3 1 185 39 39 PHE N N 120.9000 0.2 1 186 40 40 VAL H H 7.9560 0.04 1 187 40 40 VAL C C 177.8500 0.3 1 188 40 40 VAL CA C 65.6600 0.3 1 189 40 40 VAL CB C 31.0900 0.3 1 190 40 40 VAL N N 119.3500 0.2 1 191 41 41 ALA H H 7.6350 0.04 1 192 41 41 ALA C C 181.2700 0.3 1 193 41 41 ALA CA C 54.8600 0.3 1 194 41 41 ALA CB C 17.3100 0.3 1 195 41 41 ALA N N 122.0200 0.2 1 196 42 42 ALA H H 8.7120 0.04 1 197 42 42 ALA C C 181.5400 0.3 1 198 42 42 ALA CA C 53.2900 0.3 1 199 42 42 ALA CB C 17.5900 0.3 1 200 42 42 ALA N N 121.4100 0.2 1 201 43 43 GLY H H 9.1050 0.04 1 202 43 43 GLY C C 174.2000 0.3 1 203 43 43 GLY CA C 47.2500 0.3 1 204 43 43 GLY N N 113.4300 0.2 1 205 44 44 ASP H H 9.3480 0.04 1 206 44 44 ASP C C 179.3000 0.3 1 207 44 44 ASP CA C 57.1300 0.3 1 208 44 44 ASP CB C 39.2400 0.3 1 209 44 44 ASP N N 123.2100 0.2 1 210 45 45 HIS H H 7.8220 0.04 1 211 45 45 HIS C C 177.3400 0.3 1 212 45 45 HIS CA C 60.2900 0.3 1 213 45 45 HIS CB C 31.0400 0.3 1 214 45 45 HIS N N 120.8600 0.2 1 215 46 46 LEU H H 7.6910 0.04 1 216 46 46 LEU C C 177.1300 0.3 1 217 46 46 LEU CA C 58.7200 0.3 1 218 46 46 LEU CB C 41.1500 0.3 1 219 46 46 LEU N N 120.4900 0.2 1 220 47 47 VAL H H 8.2480 0.04 1 221 47 47 VAL C C 178.1100 0.3 1 222 47 47 VAL CA C 64.5300 0.3 1 223 47 47 VAL CB C 30.9000 0.3 1 224 47 47 VAL N N 115.7200 0.2 1 225 48 48 HIS H H 7.6050 0.04 1 226 48 48 HIS C C 176.4600 0.3 1 227 48 48 HIS CA C 57.8700 0.3 1 228 48 48 HIS CB C 28.7200 0.3 1 229 48 48 HIS N N 116.6800 0.2 1 230 49 49 HIS H H 7.6510 0.04 1 231 49 49 HIS C C 175.9600 0.3 1 232 49 49 HIS CA C 58.7200 0.3 1 233 49 49 HIS CB C 31.1200 0.3 1 234 49 49 HIS N N 115.7500 0.2 1 235 50 50 CYS H H 8.8230 0.04 1 236 50 50 CYS C C 172.3400 0.3 1 237 50 50 CYS CA C 55.8900 0.3 1 238 50 50 CYS CB C 29.2400 0.3 1 239 50 50 CYS N N 119.0300 0.2 1 240 51 51 PRO C C 177.8000 0.3 1 241 51 51 PRO CA C 64.5500 0.3 1 242 51 51 PRO CB C 30.9900 0.3 1 243 52 52 THR H H 7.4900 0.04 1 244 52 52 THR C C 176.8900 0.3 1 245 52 52 THR CA C 63.4000 0.3 1 246 52 52 THR CB C 67.8900 0.3 1 247 52 52 THR N N 110.6100 0.2 1 248 53 53 TRP H H 8.8520 0.04 1 249 53 53 TRP C C 174.4700 0.3 1 250 53 53 TRP CA C 56.6000 0.3 1 251 53 53 TRP CB C 29.6700 0.3 1 252 53 53 TRP N N 128.3900 0.2 1 253 54 54 GLN H H 8.6770 0.04 1 254 54 54 GLN C C 175.5800 0.3 1 255 54 54 GLN CA C 53.4900 0.3 1 256 54 54 GLN CB C 33.4800 0.3 1 257 54 54 GLN N N 115.3100 0.2 1 258 55 55 TRP H H 8.4420 0.04 1 259 55 55 TRP C C 177.0800 0.3 1 260 55 55 TRP CA C 57.3100 0.3 1 261 55 55 TRP CB C 31.7900 0.3 1 262 55 55 TRP N N 120.9100 0.2 1 263 56 56 ALA H H 8.9240 0.04 1 264 56 56 ALA C C 175.4400 0.3 1 265 56 56 ALA CA C 50.7400 0.3 1 266 56 56 ALA CB C 22.6100 0.3 1 267 56 56 ALA N N 124.1100 0.2 1 268 57 57 THR H H 7.8420 0.04 1 269 57 57 THR C C 174.5500 0.3 1 270 57 57 THR CA C 64.4100 0.3 1 271 57 57 THR CB C 71.1700 0.3 1 272 57 57 THR N N 115.2100 0.2 1 273 58 58 GLY H H 8.0250 0.04 1 274 58 58 GLY C C 173.3600 0.3 1 275 58 58 GLY CA C 44.0400 0.3 1 276 58 58 GLY N N 107.7700 0.2 1 277 59 59 GLU H H 8.5630 0.04 1 278 59 59 GLU C C 179.5900 0.3 1 279 59 59 GLU CA C 56.8900 0.3 1 280 59 59 GLU CB C 29.5300 0.3 1 281 59 59 GLU N N 120.4300 0.2 1 282 60 60 GLU H H 9.0620 0.04 1 283 60 60 GLU C C 178.9100 0.3 1 284 60 60 GLU CA C 59.8300 0.3 1 285 60 60 GLU CB C 29.1700 0.3 1 286 60 60 GLU N N 128.4000 0.2 1 287 61 61 LEU H H 8.4850 0.04 1 288 61 61 LEU C C 177.9200 0.3 1 289 61 61 LEU CA C 56.0100 0.3 1 290 61 61 LEU CB C 40.5900 0.3 1 291 61 61 LEU N N 116.6900 0.2 1 292 62 62 LYS H H 7.5210 0.04 1 293 62 62 LYS C C 174.8400 0.3 1 294 62 62 LYS CA C 55.2500 0.3 1 295 62 62 LYS CB C 32.0300 0.3 1 296 62 62 LYS N N 117.6200 0.2 1 297 63 63 VAL H H 6.7970 0.04 1 298 63 63 VAL C C 177.4200 0.3 1 299 63 63 VAL CA C 63.1800 0.3 1 300 63 63 VAL CB C 32.1400 0.3 1 301 63 63 VAL N N 120.9000 0.2 1 302 64 64 LYS H H 10.0300 0.04 1 303 64 64 LYS C C 177.9400 0.3 1 304 64 64 LYS CA C 52.6100 0.3 1 305 64 64 LYS CB C 31.8300 0.3 1 306 64 64 LYS N N 128.8700 0.2 1 307 65 65 ALA H H 8.6540 0.04 1 308 65 65 ALA C C 177.0500 0.3 1 309 65 65 ALA CA C 53.5900 0.3 1 310 65 65 ALA CB C 18.0100 0.3 1 311 65 65 ALA N N 124.6100 0.2 1 312 66 66 TYR H H 6.1710 0.04 1 313 66 66 TYR C C 174.0600 0.3 1 314 66 66 TYR CA C 54.9100 0.3 1 315 66 66 TYR CB C 35.9700 0.3 1 316 66 66 TYR N N 109.1100 0.2 1 317 67 67 LEU H H 7.2180 0.04 1 318 67 67 LEU C C 172.6900 0.3 1 319 67 67 LEU CA C 51.7500 0.3 1 320 67 67 LEU CB C 42.6000 0.3 1 321 67 67 LEU N N 124.7300 0.2 1 322 68 68 PRO C C 179.8400 0.3 1 323 68 68 PRO CA C 61.4900 0.3 1 324 68 68 PRO CB C 30.1900 0.3 1 325 69 69 THR H H 8.7700 0.04 1 326 69 69 THR C C 175.2500 0.3 1 327 69 69 THR CA C 66.7400 0.3 1 328 69 69 THR CB C 68.2700 0.3 1 329 69 69 THR N N 123.7700 0.2 1 330 70 70 GLY H H 8.3070 0.04 1 331 70 70 GLY C C 172.9500 0.3 1 332 70 70 GLY CA C 44.2500 0.3 1 333 70 70 GLY N N 104.9800 0.2 1 334 71 71 LYS H H 7.1840 0.04 1 335 71 71 LYS C C 171.0400 0.3 1 336 71 71 LYS CA C 54.3400 0.3 1 337 71 71 LYS CB C 31.7500 0.3 1 338 71 71 LYS N N 121.7300 0.2 1 339 72 72 GLN H H 6.6820 0.04 1 340 72 72 GLN C C 175.7400 0.3 1 341 72 72 GLN CA C 56.3600 0.3 1 342 72 72 GLN CB C 29.1300 0.3 1 343 72 72 GLN N N 114.1700 0.2 1 344 73 73 PHE H H 7.6570 0.04 1 345 73 73 PHE C C 171.4500 0.3 1 346 73 73 PHE CA C 55.6400 0.3 1 347 73 73 PHE CB C 40.2100 0.3 1 348 73 73 PHE N N 108.7200 0.2 1 349 74 74 LEU H H 9.0090 0.04 1 350 74 74 LEU C C 176.9900 0.3 1 351 74 74 LEU CA C 53.4900 0.3 1 352 74 74 LEU CB C 45.0900 0.3 1 353 74 74 LEU N N 121.3300 0.2 1 354 75 75 VAL H H 9.4740 0.04 1 355 75 75 VAL C C 173.0700 0.3 1 356 75 75 VAL CA C 58.5400 0.3 1 357 75 75 VAL CB C 35.1900 0.3 1 358 75 75 VAL N N 120.4100 0.2 1 359 76 76 THR H H 8.4120 0.04 1 360 76 76 THR C C 171.4000 0.3 1 361 76 76 THR CA C 59.7700 0.3 1 362 76 76 THR CB C 70.2300 0.3 1 363 76 76 THR N N 124.6500 0.2 1 364 77 77 LYS H H 7.9250 0.04 1 365 77 77 LYS C C 176.6700 0.3 1 366 77 77 LYS CA C 54.5000 0.3 1 367 77 77 LYS CB C 34.9500 0.3 1 368 77 77 LYS N N 124.6700 0.2 1 369 78 78 ASN H H 8.4910 0.04 1 370 78 78 ASN C C 174.9500 0.3 1 371 78 78 ASN CA C 54.3000 0.3 1 372 78 78 ASN CB C 36.8900 0.3 1 373 78 78 ASN N N 117.6900 0.2 1 374 79 79 VAL H H 9.5750 0.04 1 375 79 79 VAL CA C 59.9400 0.3 1 376 79 79 VAL CB C 30.9700 0.3 1 377 79 79 VAL N N 122.8100 0.2 1 378 80 80 PRO C C 175.2700 0.3 1 379 80 80 PRO CA C 62.9900 0.3 1 380 80 80 PRO CB C 32.2400 0.3 1 381 81 81 CYS H H 7.9380 0.04 1 382 81 81 CYS C C 174.8300 0.3 1 383 81 81 CYS CA C 57.2000 0.3 1 384 81 81 CYS CB C 27.3900 0.3 1 385 81 81 CYS N N 120.9400 0.2 1 386 82 82 TYR H H 9.3470 0.04 1 387 82 82 TYR C C 174.8000 0.3 1 388 82 82 TYR CA C 60.2600 0.3 1 389 82 82 TYR CB C 38.8400 0.3 1 390 82 82 TYR N N 127.9300 0.2 1 391 83 83 LYS H H 7.3690 0.04 1 392 83 83 LYS C C 174.3200 0.3 1 393 83 83 LYS CA C 53.7300 0.3 1 394 83 83 LYS CB C 35.1900 0.3 1 395 83 83 LYS N N 115.2600 0.2 1 396 84 84 ARG H H 8.3330 0.04 1 397 84 84 ARG C C 177.7000 0.3 1 398 84 84 ARG CA C 53.4700 0.3 1 399 84 84 ARG CB C 31.9900 0.3 1 400 84 84 ARG N N 119.0200 0.2 1 401 85 85 CYS H H 8.2880 0.04 1 402 85 85 CYS C C 175.7300 0.3 1 403 85 85 CYS CA C 61.5100 0.3 1 404 85 85 CYS CB C 26.3300 0.3 1 405 85 85 CYS N N 119.4400 0.2 1 406 86 86 LYS H H 8.0150 0.04 1 407 86 86 LYS C C 175.4700 0.3 1 408 86 86 LYS CA C 55.9700 0.3 1 409 86 86 LYS CB C 32.2900 0.3 1 410 86 86 LYS N N 119.7500 0.2 1 411 87 87 GLN H H 8.1130 0.04 1 412 87 87 GLN C C 175.9400 0.3 1 413 87 87 GLN CA C 55.8500 0.3 1 414 87 87 GLN CB C 28.4500 0.3 1 415 87 87 GLN N N 122.7900 0.2 1 416 88 88 MET H H 8.4190 0.04 1 417 88 88 MET C C 176.4500 0.3 1 418 88 88 MET CA C 55.1100 0.3 1 419 88 88 MET CB C 32.7900 0.3 1 420 88 88 MET N N 124.1500 0.2 1 421 89 89 GLU H H 8.5080 0.04 1 422 89 89 GLU C C 176.9900 0.3 1 423 89 89 GLU CA C 56.6000 0.3 1 424 89 89 GLU CB C 29.1600 0.3 1 425 89 89 GLU N N 120.9300 0.2 1 426 90 90 GLU H H 8.4160 0.04 1 427 90 90 GLU C C 176.4000 0.3 1 428 90 90 GLU CA C 56.9100 0.3 1 429 90 90 GLU CB C 29.1600 0.3 1 430 90 90 GLU N N 120.9100 0.2 1 431 91 91 ASP H H 8.1800 0.04 1 432 91 91 ASP C C 175.7300 0.3 1 433 91 91 ASP CA C 53.9200 0.3 1 434 91 91 ASP CB C 40.0300 0.3 1 435 91 91 ASP N N 119.9300 0.2 1 436 92 92 ALA H H 7.6960 0.04 1 437 92 92 ALA C C 177.4300 0.3 1 438 92 92 ALA CA C 52.0600 0.3 1 439 92 92 ALA CB C 19.0700 0.3 1 440 92 92 ALA N N 123.7200 0.2 1 441 93 93 ILE H H 8.0380 0.04 1 442 93 93 ILE C C 176.0000 0.3 1 443 93 93 ILE CA C 60.7400 0.3 1 444 93 93 ILE CB C 37.5100 0.3 1 445 93 93 ILE N N 120.9300 0.2 1 446 94 94 LEU H H 8.4290 0.04 1 447 94 94 LEU C C 176.9600 0.3 1 448 94 94 LEU CA C 54.5600 0.3 1 449 94 94 LEU CB C 41.0100 0.3 1 450 94 94 LEU N N 128.3900 0.2 1 451 95 95 GLN H H 8.2940 0.04 1 452 95 95 GLN C C 175.4400 0.3 1 453 95 95 GLN CA C 54.8500 0.3 1 454 95 95 GLN CB C 30.4800 0.3 1 455 95 95 GLN N N 123.0400 0.2 1 456 96 96 THR H H 9.0220 0.04 1 457 96 96 THR C C 173.9100 0.3 1 458 96 96 THR CA C 63.6700 0.3 1 459 96 96 THR CB C 68.8100 0.3 1 460 96 96 THR N N 124.2500 0.2 1 461 97 97 ARG H H 8.4670 0.04 1 462 97 97 ARG C C 175.0600 0.3 1 463 97 97 ARG CA C 53.8400 0.3 1 464 97 97 ARG CB C 34.1000 0.3 1 465 97 97 ARG N N 127.4900 0.2 1 466 98 98 THR H H 8.0170 0.04 1 467 98 98 THR C C 172.8300 0.3 1 468 98 98 THR CA C 59.0700 0.3 1 469 98 98 THR CB C 72.3700 0.3 1 470 98 98 THR N N 109.2500 0.2 1 471 99 99 TYR H H 9.4530 0.04 1 472 99 99 TYR C C 175.1200 0.3 1 473 99 99 TYR CA C 57.3600 0.3 1 474 99 99 TYR CB C 43.0700 0.3 1 475 99 99 TYR N N 119.5100 0.2 1 476 100 100 ASP H H 9.4360 0.04 1 477 100 100 ASP C C 174.8500 0.3 1 478 100 100 ASP CA C 52.6300 0.3 1 479 100 100 ASP CB C 40.9500 0.3 1 480 100 100 ASP N N 121.8400 0.2 1 481 101 101 LEU H H 8.4820 0.04 1 482 101 101 LEU C C 175.2300 0.3 1 483 101 101 LEU CA C 52.9400 0.3 1 484 101 101 LEU CB C 44.6400 0.3 1 485 101 101 LEU N N 120.6000 0.2 1 486 102 102 TYR H H 9.2070 0.04 1 487 102 102 TYR C C 176.4200 0.3 1 488 102 102 TYR CA C 54.9200 0.3 1 489 102 102 TYR CB C 42.1100 0.3 1 490 102 102 TYR N N 114.7800 0.2 1 491 103 103 ILE H H 9.4950 0.04 1 492 103 103 ILE CA C 60.3200 0.3 1 493 103 103 ILE CB C 40.1700 0.3 1 494 103 103 ILE N N 120.9200 0.2 1 495 104 104 THR C C 172.0500 0.3 1 496 104 104 THR CA C 59.0400 0.3 1 497 104 104 THR CB C 70.0100 0.3 1 498 105 105 TYR H H 8.8770 0.04 1 499 105 105 TYR C C 174.7800 0.3 1 500 105 105 TYR CA C 56.9100 0.3 1 501 105 105 TYR CB C 38.0200 0.3 1 502 105 105 TYR N N 119.4900 0.2 1 503 106 106 ASP H H 8.0880 0.04 1 504 106 106 ASP C C 174.9900 0.3 1 505 106 106 ASP CA C 52.4800 0.3 1 506 106 106 ASP CB C 42.3000 0.3 1 507 106 106 ASP N N 132.1000 0.2 1 508 107 107 LYS H H 8.3830 0.04 1 509 107 107 LYS C C 176.3900 0.3 1 510 107 107 LYS CA C 57.5200 0.3 1 511 107 107 LYS CB C 32.0600 0.3 1 512 107 107 LYS N N 126.5500 0.2 1 513 108 108 TYR H H 8.0110 0.04 1 514 108 108 TYR C C 177.5300 0.3 1 515 108 108 TYR CA C 60.5900 0.3 1 516 108 108 TYR CB C 37.2900 0.3 1 517 108 108 TYR N N 119.5300 0.2 1 518 109 109 TYR H H 7.8120 0.04 1 519 109 109 TYR C C 175.1400 0.3 1 520 109 109 TYR CA C 59.4900 0.3 1 521 109 109 TYR CB C 38.2900 0.3 1 522 109 109 TYR N N 116.2200 0.2 1 523 110 110 GLN H H 8.0750 0.04 1 524 110 110 GLN C C 173.3700 0.3 1 525 110 110 GLN CA C 56.8700 0.3 1 526 110 110 GLN CB C 26.2700 0.3 1 527 110 110 GLN N N 116.6200 0.2 1 528 111 111 THR H H 7.0000 0.04 1 529 111 111 THR C C 171.4900 0.3 1 530 111 111 THR CA C 57.8100 0.3 1 531 111 111 THR CB C 70.6400 0.3 1 532 111 111 THR N N 104.8700 0.2 1 533 114 114 LEU C C 174.7900 0.3 1 534 114 114 LEU CA C 53.2600 0.3 1 535 115 115 TRP H H 9.4850 0.04 1 536 115 115 TRP C C 175.2900 0.3 1 537 115 115 TRP CA C 54.5800 0.3 1 538 115 115 TRP CB C 31.9900 0.3 1 539 115 115 TRP N N 126.9700 0.2 1 540 116 116 LEU H H 9.4600 0.04 1 541 116 116 LEU C C 175.6700 0.3 1 542 116 116 LEU CA C 54.4200 0.3 1 543 116 116 LEU CB C 45.6600 0.3 1 544 116 116 LEU N N 119.9700 0.2 1 545 117 117 PHE H H 8.9360 0.04 1 546 117 117 PHE C C 173.6600 0.3 1 547 117 117 PHE CA C 59.1700 0.3 1 548 117 117 PHE CB C 42.7400 0.3 1 549 117 117 PHE N N 122.7800 0.2 1 550 118 118 GLY H H 6.7970 0.04 1 551 118 118 GLY C C 170.9600 0.3 1 552 118 118 GLY CA C 44.5100 0.3 1 553 118 118 GLY N N 114.9600 0.2 1 554 119 119 TYR H H 8.8040 0.04 1 555 119 119 TYR C C 175.4600 0.3 1 556 119 119 TYR CA C 55.8700 0.3 1 557 119 119 TYR CB C 41.9400 0.3 1 558 119 119 TYR N N 116.2000 0.2 1 559 120 120 ASP H H 8.4700 0.04 1 560 120 120 ASP C C 178.7000 0.3 1 561 120 120 ASP CA C 51.6900 0.3 1 562 120 120 ASP CB C 41.3500 0.3 1 563 120 120 ASP N N 118.4200 0.2 1 564 121 121 GLU H H 8.8480 0.04 1 565 121 121 GLU C C 177.5600 0.3 1 566 121 121 GLU CA C 58.6200 0.3 1 567 121 121 GLU CB C 28.2400 0.3 1 568 121 121 GLU N N 119.5700 0.2 1 569 122 122 GLN H H 8.1710 0.04 1 570 122 122 GLN C C 175.0900 0.3 1 571 122 122 GLN CA C 55.1500 0.3 1 572 122 122 GLN CB C 27.4900 0.3 1 573 122 122 GLN N N 119.9500 0.2 1 574 123 123 ARG H H 8.3130 0.04 1 575 123 123 ARG C C 174.9600 0.3 1 576 123 123 ARG CA C 57.1400 0.3 1 577 123 123 ARG CB C 25.3100 0.3 1 578 123 123 ARG N N 115.2900 0.2 1 579 124 124 GLN H H 8.4120 0.04 1 580 124 124 GLN C C 174.5500 0.3 1 581 124 124 GLN CA C 52.3500 0.3 1 582 124 124 GLN CB C 27.2200 0.3 1 583 124 124 GLN N N 120.4300 0.2 1 584 125 125 PRO C C 177.5600 0.3 1 585 125 125 PRO CA C 62.6500 0.3 1 586 125 125 PRO CB C 31.6400 0.3 1 587 126 126 LEU H H 8.0720 0.04 1 588 126 126 LEU C C 177.6500 0.3 1 589 126 126 LEU CA C 53.2700 0.3 1 590 126 126 LEU CB C 42.5800 0.3 1 591 126 126 LEU N N 125.6400 0.2 1 592 127 127 THR H H 7.9590 0.04 1 593 127 127 THR C C 176.4900 0.3 1 594 127 127 THR CA C 60.3600 0.3 1 595 127 127 THR CB C 70.1900 0.3 1 596 127 127 THR N N 110.6300 0.2 1 597 128 128 VAL H H 8.5610 0.04 1 598 128 128 VAL C C 176.8300 0.3 1 599 128 128 VAL CA C 66.5900 0.3 1 600 128 128 VAL CB C 30.4700 0.3 1 601 128 128 VAL N N 121.9000 0.2 1 602 129 129 GLU H H 8.1760 0.04 1 603 129 129 GLU C C 179.6900 0.3 1 604 129 129 GLU CA C 59.6700 0.3 1 605 129 129 GLU CB C 27.5700 0.3 1 606 129 129 GLU N N 116.7000 0.2 1 607 130 130 HIS H H 7.4380 0.04 1 608 130 130 HIS C C 179.6200 0.3 1 609 130 130 HIS CA C 57.8700 0.3 1 610 130 130 HIS CB C 29.1900 0.3 1 611 130 130 HIS N N 116.2200 0.2 1 612 131 131 MET H H 8.4120 0.04 1 613 131 131 MET C C 178.4700 0.3 1 614 131 131 MET CA C 60.1200 0.3 1 615 131 131 MET CB C 33.2300 0.3 1 616 131 131 MET N N 125.0900 0.2 1 617 132 132 TYR H H 8.0800 0.04 1 618 132 132 TYR C C 178.4000 0.3 1 619 132 132 TYR CA C 58.8900 0.3 1 620 132 132 TYR CB C 36.5500 0.3 1 621 132 132 TYR N N 116.1600 0.2 1 622 133 133 GLU H H 7.6140 0.04 1 623 133 133 GLU C C 177.1100 0.3 1 624 133 133 GLU CA C 57.9200 0.3 1 625 133 133 GLU CB C 30.1900 0.3 1 626 133 133 GLU N N 116.6800 0.2 1 627 134 134 ASP H H 8.0330 0.04 1 628 134 134 ASP C C 173.5700 0.3 1 629 134 134 ASP CA C 55.1800 0.3 1 630 134 134 ASP CB C 40.4400 0.3 1 631 134 134 ASP N N 119.5100 0.2 1 632 135 135 ILE H H 7.1650 0.04 1 633 135 135 ILE C C 175.2500 0.3 1 634 135 135 ILE CA C 58.7600 0.3 1 635 135 135 ILE CB C 38.9100 0.3 1 636 135 135 ILE N N 121.3100 0.2 1 637 136 136 SER H H 8.9790 0.04 1 638 136 136 SER C C 177.4500 0.3 1 639 136 136 SER CA C 58.5400 0.3 1 640 136 136 SER CB C 63.1900 0.3 1 641 136 136 SER N N 121.8500 0.2 1 642 137 137 GLN C C 176.9900 0.3 1 643 137 137 GLN CA C 57.6100 0.3 1 644 138 138 ASP H H 8.3260 0.04 1 645 138 138 ASP C C 177.6600 0.3 1 646 138 138 ASP CA C 55.1400 0.3 1 647 138 138 ASP CB C 39.9500 0.3 1 648 138 138 ASP N N 118.8900 0.2 1 649 139 139 HIS H H 7.8120 0.04 1 650 139 139 HIS C C 176.6900 0.3 1 651 139 139 HIS CA C 57.5900 0.3 1 652 139 139 HIS CB C 30.1700 0.3 1 653 139 139 HIS N N 116.2200 0.2 1 654 140 140 VAL H H 7.5860 0.04 1 655 140 140 VAL C C 176.2700 0.3 1 656 140 140 VAL CA C 65.2200 0.3 1 657 140 140 VAL CB C 31.5600 0.3 1 658 140 140 VAL N N 121.3700 0.2 1 659 141 141 LYS C C 177.7800 0.3 1 660 142 142 LYS H H 7.9200 0.04 1 661 142 142 LYS C C 177.4100 0.3 1 662 142 142 LYS CA C 57.5300 0.3 1 663 142 142 LYS N N 117.5700 0.2 1 664 143 143 THR H H 8.1260 0.04 1 665 143 143 THR C C 173.9900 0.3 1 666 143 143 THR CA C 62.7600 0.3 1 667 143 143 THR N N 112.4700 0.2 1 668 144 144 VAL H H 7.4880 0.04 1 669 144 144 VAL C C 176.1900 0.3 1 670 144 144 VAL CA C 60.8200 0.3 1 671 144 144 VAL CB C 32.6000 0.3 1 672 144 144 VAL N N 123.2500 0.2 1 673 145 145 THR H H 8.7440 0.04 1 674 145 145 THR C C 172.1900 0.3 1 675 145 145 THR CA C 59.2400 0.3 1 676 145 145 THR CB C 71.5900 0.3 1 677 145 145 THR N N 119.0300 0.2 1 678 146 146 ILE H H 8.3820 0.04 1 679 146 146 ILE C C 176.6500 0.3 1 680 146 146 ILE CA C 58.7000 0.3 1 681 146 146 ILE CB C 35.2800 0.3 1 682 146 146 ILE N N 121.9400 0.2 1 683 147 147 GLU H H 8.8360 0.04 1 684 147 147 GLU C C 174.7000 0.3 1 685 147 147 GLU CA C 54.3200 0.3 1 686 147 147 GLU CB C 34.0100 0.3 1 687 147 147 GLU N N 125.1200 0.2 1 688 148 148 ASN H H 8.8250 0.04 1 689 148 148 ASN C C 174.3700 0.3 1 690 148 148 ASN CA C 53.7400 0.3 1 691 148 148 ASN CB C 37.8700 0.3 1 692 148 148 ASN N N 122.3000 0.2 1 693 149 149 HIS H H 8.8740 0.04 1 694 149 149 HIS C C 175.7100 0.3 1 695 149 149 HIS CA C 54.0700 0.3 1 696 149 149 HIS CB C 29.9600 0.3 1 697 149 149 HIS N N 127.8700 0.2 1 698 150 150 PRO CB C 31.0900 0.3 1 699 151 151 HIS H H 9.7510 0.04 1 700 151 151 HIS C C 172.6400 0.3 1 701 151 151 HIS CA C 54.6000 0.3 1 702 151 151 HIS CB C 32.0600 0.3 1 703 151 151 HIS N N 117.1800 0.2 1 704 152 152 LEU H H 6.7310 0.04 1 705 152 152 LEU C C 173.4700 0.3 1 706 152 152 LEU CA C 52.0200 0.3 1 707 152 152 LEU CB C 43.4600 0.3 1 708 152 152 LEU N N 120.9100 0.2 1 709 156 156 PRO C C 173.8200 0.3 1 710 156 156 PRO CA C 63.1200 0.3 1 711 156 156 PRO CB C 31.9400 0.3 1 712 157 157 MET H H 8.3100 0.04 1 713 157 157 MET C C 174.3600 0.3 1 714 157 157 MET CA C 53.9600 0.3 1 715 157 157 MET CB C 35.6700 0.3 1 716 157 157 MET N N 116.2900 0.2 1 717 158 158 CYS H H 8.2990 0.04 1 718 158 158 CYS C C 174.3500 0.3 1 719 158 158 CYS CA C 58.8200 0.3 1 720 158 158 CYS CB C 27.3300 0.3 1 721 158 158 CYS N N 116.3400 0.2 1 722 159 159 SER H H 9.2640 0.04 1 723 159 159 SER CA C 55.6900 0.3 1 724 159 159 SER N N 121.3900 0.2 1 725 169 169 MET C C 178.5500 0.3 1 726 169 169 MET CA C 56.5400 0.3 1 727 170 170 LYS H H 8.0270 0.04 1 728 170 170 LYS C C 178.4800 0.3 1 729 170 170 LYS CA C 59.6100 0.3 1 730 170 170 LYS CB C 31.9500 0.3 1 731 170 170 LYS N N 118.5700 0.2 1 732 171 171 LYS H H 7.2650 0.04 1 733 171 171 LYS C C 179.7100 0.3 1 734 171 171 LYS CA C 58.0200 0.3 1 735 171 171 LYS CB C 31.1000 0.3 1 736 171 171 LYS N N 118.2100 0.2 1 737 172 172 ILE H H 7.8900 0.04 1 738 172 172 ILE C C 178.1700 0.3 1 739 172 172 ILE CA C 65.1200 0.3 1 740 172 172 ILE CB C 36.2600 0.3 1 741 172 172 ILE N N 122.7700 0.2 1 742 173 173 ILE C C 178.0800 0.3 1 743 173 173 ILE CA C 65.3400 0.3 1 744 173 173 ILE CB C 36.9900 0.3 1 745 174 174 GLU H H 7.9560 0.04 1 746 174 174 GLU C C 178.7700 0.3 1 747 174 174 GLU CA C 58.7400 0.3 1 748 174 174 GLU CB C 29.1900 0.3 1 749 174 174 GLU N N 119.3500 0.2 1 750 175 175 THR H H 7.8230 0.04 1 751 175 175 THR C C 176.9000 0.3 1 752 175 175 THR CA C 65.8400 0.3 1 753 175 175 THR CB C 68.3400 0.3 1 754 175 175 THR N N 115.7500 0.2 1 755 176 176 VAL H H 8.0960 0.04 1 756 176 176 VAL C C 178.1900 0.3 1 757 176 176 VAL CA C 64.9400 0.3 1 758 176 176 VAL CB C 30.7800 0.3 1 759 176 176 VAL N N 122.3000 0.2 1 760 177 177 ALA H H 8.2200 0.04 1 761 177 177 ALA C C 179.7400 0.3 1 762 177 177 ALA CA C 53.7000 0.3 1 763 177 177 ALA CB C 17.9600 0.3 1 764 177 177 ALA N N 123.6400 0.2 1 765 178 178 GLU H H 7.8250 0.04 1 766 178 178 GLU C C 177.8600 0.3 1 767 178 178 GLU CA C 57.5600 0.3 1 768 178 178 GLU CB C 28.7700 0.3 1 769 178 178 GLU N N 119.0400 0.2 1 770 179 179 GLY H H 7.9230 0.04 1 771 179 179 GLY C C 175.1300 0.3 1 772 179 179 GLY CA C 45.3500 0.3 1 773 179 179 GLY N N 107.7600 0.2 1 774 180 180 GLY H H 7.8970 0.04 1 775 180 180 GLY C C 174.8500 0.3 1 776 180 180 GLY CA C 45.0700 0.3 1 777 180 180 GLY N N 108.4500 0.2 1 778 181 181 GLY H H 8.2140 0.04 1 779 181 181 GLY C C 173.9600 0.3 1 780 181 181 GLY CA C 44.7500 0.3 1 781 181 181 GLY N N 109.1900 0.2 1 782 182 182 GLU H H 8.2590 0.04 1 783 182 182 GLU C C 176.1200 0.3 1 784 182 182 GLU CA C 56.2100 0.3 1 785 182 182 GLU CB C 29.2100 0.3 1 786 182 182 GLU N N 121.3100 0.2 1 787 183 183 LEU C C 176.1500 0.3 1 788 183 183 LEU CA C 54.3700 0.3 1 789 183 183 LEU CB C 41.9900 0.3 1 790 184 184 GLY H H 7.4890 0.04 1 791 184 184 GLY C C 174.6200 0.3 1 792 184 184 GLY CA C 44.1200 0.3 1 793 184 184 GLY N N 109.6500 0.2 1 794 185 185 VAL H H 8.6810 0.04 1 795 185 185 VAL C C 175.7500 0.3 1 796 185 185 VAL CA C 64.1200 0.3 1 797 185 185 VAL CB C 30.4700 0.3 1 798 185 185 VAL N N 122.7800 0.2 1 799 186 186 HIS H H 8.2150 0.04 1 800 186 186 HIS C C 175.4400 0.3 1 801 186 186 HIS CA C 57.8500 0.3 1 802 186 186 HIS CB C 28.4100 0.3 1 803 186 186 HIS N N 117.6800 0.2 1 804 187 187 MET H H 7.2470 0.04 1 805 187 187 MET C C 177.7700 0.3 1 806 187 187 MET CA C 54.4100 0.3 1 807 187 187 MET CB C 31.1600 0.3 1 808 187 187 MET N N 116.6100 0.2 1 809 188 188 TYR H H 7.9290 0.04 1 810 188 188 TYR C C 177.8400 0.3 1 811 188 188 TYR CA C 62.8100 0.3 1 812 188 188 TYR CB C 39.0900 0.3 1 813 188 188 TYR N N 119.5000 0.2 1 814 189 189 LEU H H 8.0810 0.04 1 815 189 189 LEU C C 178.1900 0.3 1 816 189 189 LEU CA C 56.7400 0.3 1 817 189 189 LEU CB C 39.9200 0.3 1 818 189 189 LEU N N 112.0600 0.2 1 819 190 190 LEU H H 7.1610 0.04 1 820 190 190 LEU C C 179.0600 0.3 1 821 190 190 LEU CA C 57.9500 0.3 1 822 190 190 LEU CB C 39.7900 0.3 1 823 190 190 LEU N N 120.4700 0.2 1 824 191 191 ILE H H 7.3990 0.04 1 825 191 191 ILE C C 177.7000 0.3 1 826 191 191 ILE CA C 64.2500 0.3 1 827 191 191 ILE CB C 36.8900 0.3 1 828 191 191 ILE N N 119.4900 0.2 1 829 192 192 PHE H H 8.3790 0.04 1 830 192 192 PHE CA C 61.1200 0.3 1 831 192 192 PHE CB C 38.8900 0.3 1 832 192 192 PHE N N 120.9000 0.2 1 833 193 193 LEU C C 178.5400 0.3 1 834 193 193 LEU CA C 56.4500 0.3 1 835 193 193 LEU CB C 40.7100 0.3 1 836 194 194 LYS H H 7.3420 0.04 1 837 194 194 LYS C C 178.6400 0.3 1 838 194 194 LYS CA C 58.5600 0.3 1 839 194 194 LYS CB C 31.3400 0.3 1 840 194 194 LYS N N 121.7100 0.2 1 841 195 195 PHE H H 7.6710 0.04 1 842 195 195 PHE C C 178.3000 0.3 1 843 195 195 PHE CA C 60.3000 0.3 1 844 195 195 PHE CB C 38.0900 0.3 1 845 195 195 PHE N N 119.9600 0.2 1 846 196 196 VAL H H 8.0180 0.04 1 847 196 196 VAL C C 175.7400 0.3 1 848 196 196 VAL CA C 63.5300 0.3 1 849 196 196 VAL CB C 30.4200 0.3 1 850 196 196 VAL N N 116.6700 0.2 1 851 197 197 GLN H H 6.7940 0.04 1 852 197 197 GLN C C 177.0600 0.3 1 853 197 197 GLN CA C 58.3800 0.3 1 854 197 197 GLN CB C 28.2400 0.3 1 855 197 197 GLN N N 123.2000 0.2 1 856 198 198 ALA H H 6.7590 0.04 1 857 198 198 ALA C C 178.9500 0.3 1 858 198 198 ALA CA C 53.3000 0.3 1 859 198 198 ALA CB C 17.9900 0.3 1 860 198 198 ALA N N 114.8300 0.2 1 861 199 199 VAL H H 7.6030 0.04 1 862 199 199 VAL C C 174.8300 0.3 1 863 199 199 VAL CA C 63.8000 0.3 1 864 199 199 VAL CB C 30.9700 0.3 1 865 199 199 VAL N N 117.1600 0.2 1 866 200 200 ILE H H 6.7850 0.04 1 867 200 200 ILE C C 174.9100 0.3 1 868 200 200 ILE CA C 57.2700 0.3 1 869 200 200 ILE CB C 37.3900 0.3 1 870 200 200 ILE N N 111.0600 0.2 1 871 201 201 PRO C C 178.8900 0.3 1 872 201 201 PRO CA C 65.0800 0.3 1 873 201 201 PRO CB C 32.0800 0.3 1 874 202 202 THR H H 9.2310 0.04 1 875 202 202 THR C C 174.3900 0.3 1 876 202 202 THR CA C 59.8600 0.3 1 877 202 202 THR CB C 68.8000 0.3 1 878 202 202 THR N N 110.5800 0.2 1 879 203 203 ILE H H 7.3060 0.04 1 880 203 203 ILE C C 175.7400 0.3 1 881 203 203 ILE CA C 62.7200 0.3 1 882 203 203 ILE CB C 36.5100 0.3 1 883 203 203 ILE N N 126.0700 0.2 1 884 204 204 GLU H H 8.0820 0.04 1 885 204 204 GLU C C 175.7400 0.3 1 886 204 204 GLU CA C 55.8800 0.3 1 887 204 204 GLU CB C 26.2900 0.3 1 888 204 204 GLU N N 129.8300 0.2 1 889 205 205 TYR H H 7.3050 0.04 1 890 205 205 TYR C C 174.8100 0.3 1 891 205 205 TYR CA C 55.6800 0.3 1 892 205 205 TYR CB C 38.8700 0.3 1 893 205 205 TYR N N 119.0400 0.2 1 894 206 206 ASP H H 8.5310 0.04 1 895 206 206 ASP C C 175.9500 0.3 1 896 206 206 ASP CA C 54.4100 0.3 1 897 206 206 ASP CB C 42.3200 0.3 1 898 206 206 ASP N N 121.3200 0.2 1 899 207 207 TYR H H 7.8190 0.04 1 900 207 207 TYR C C 173.8500 0.3 1 901 207 207 TYR CA C 57.5300 0.3 1 902 207 207 TYR CB C 37.3300 0.3 1 903 207 207 TYR N N 117.6400 0.2 1 904 208 208 THR H H 7.0490 0.04 1 905 208 208 THR C C 173.7500 0.3 1 906 208 208 THR CA C 61.3700 0.3 1 907 208 208 THR CB C 69.2000 0.3 1 908 208 208 THR N N 114.7900 0.2 1 909 209 209 ARG H H 8.1010 0.04 1 910 209 209 ARG C C 175.9900 0.3 1 911 209 209 ARG CA C 56.1300 0.3 1 912 209 209 ARG CB C 29.2900 0.3 1 913 209 209 ARG N N 123.6100 0.2 1 914 210 210 HIS H H 8.1330 0.04 1 915 210 210 HIS C C 174.3300 0.3 1 916 210 210 HIS CA C 55.0500 0.3 1 917 210 210 HIS CB C 29.2900 0.3 1 918 210 210 HIS N N 119.9600 0.2 1 919 211 211 PHE H H 8.1250 0.04 1 920 211 211 PHE C C 175.2900 0.3 1 921 211 211 PHE CA C 56.8500 0.3 1 922 211 211 PHE CB C 38.9900 0.3 1 923 211 211 PHE N N 121.3800 0.2 1 924 212 212 THR H H 7.9530 0.04 1 925 212 212 THR C C 173.4200 0.3 1 926 212 212 THR CA C 61.2200 0.3 1 927 212 212 THR CB C 69.6600 0.3 1 928 212 212 THR N N 115.7800 0.2 1 929 213 213 MET H H 7.9070 0.04 1 930 213 213 MET C C 180.6500 0.3 1 931 213 213 MET CA C 56.9000 0.3 1 932 213 213 MET CB C 33.0800 0.3 1 933 213 213 MET N N 127.9300 0.2 1 stop_ save_