data_50009 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and methyl assignment of bacteriorhodopsin incorporated into nanodiscs ; _BMRB_accession_number 50009 _BMRB_flat_file_name bmr50009.str _Entry_type original _Submission_date 2019-09-07 _Accession_date 2019-09-07 _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 Kooijman Laurens . . 2 Ansorge Philipp . . 3 Schuster Matthias . . 4 Baumann Christian . . 5 Lohr Frank . . 6 Jurt Simon . . 7 Guntert Peter . . 8 Zerbe Oliver . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 259 "13C chemical shifts" 515 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-24 original BMRB . stop_ _Original_release_date 2019-09-09 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and methyl assignment of bacteriorhodopsin incorporated into nanodiscs ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31754899 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kooijman Laurens . . 2 Ansorge Philipp . . 3 Schuster Matthias . . 4 Baumann Christian . . 5 Lohr Frank . . 6 Jurt Simon . . 7 Guntert Peter . . 8 Zerbe Oliver . . stop_ _Journal_abbreviation 'J. Biomol. NMR.' _Journal_volume 74 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 60 _Year 2020 _Details . loop_ _Keyword Bacteriorhodopsin Nanodisc stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name Bacteriorhodopsin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Bacteriorhodopsin $entity_1 stop_ _System_molecular_weight 28410 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Light-driven proton pump' stop_ _Database_query_date . _Details 'The Bacteriorhodopsin is bound to Retinal through: 229 LYS NZ.' 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 'not present' loop_ _Biological_function 'Light-driven proton pump' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 259 _Mol_residue_sequence ; GSKLAQITGRPEWIWLALGT ALMGLGTLYFLVKGMGVSDP DAKKFYAITTLVPAIAFTMY LSMLLGYGLTMVPFGGEQNP IYWARYADWLFTTPLLLLDL ALLVDADQGTILALVGADGI MIGTGLVGALTKVYSYRFVW WAISTAAMLYILYVLFFGFT SKAESMRPEVASTFKVLRNV TVVLWSAYPVVWLIGSEGAG IVPLNIETLLFMVLDVSAKV GFGLILLRSRAIFGEAEAPE PSAGDGAAATSLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 LYS 4 1 LEU 5 2 ALA 6 3 GLN 7 4 ILE 8 5 THR 9 6 GLY 10 7 ARG 11 8 PRO 12 9 GLU 13 10 TRP 14 11 ILE 15 12 TRP 16 13 LEU 17 14 ALA 18 15 LEU 19 16 GLY 20 17 THR 21 18 ALA 22 19 LEU 23 20 MET 24 21 GLY 25 22 LEU 26 23 GLY 27 24 THR 28 25 LEU 29 26 TYR 30 27 PHE 31 28 LEU 32 29 VAL 33 30 LYS 34 31 GLY 35 32 MET 36 33 GLY 37 34 VAL 38 35 SER 39 36 ASP 40 37 PRO 41 38 ASP 42 39 ALA 43 40 LYS 44 41 LYS 45 42 PHE 46 43 TYR 47 44 ALA 48 45 ILE 49 46 THR 50 47 THR 51 48 LEU 52 49 VAL 53 50 PRO 54 51 ALA 55 52 ILE 56 53 ALA 57 54 PHE 58 55 THR 59 56 MET 60 57 TYR 61 58 LEU 62 59 SER 63 60 MET 64 61 LEU 65 62 LEU 66 63 GLY 67 64 TYR 68 65 GLY 69 66 LEU 70 67 THR 71 68 MET 72 69 VAL 73 70 PRO 74 71 PHE 75 72 GLY 76 73 GLY 77 74 GLU 78 75 GLN 79 76 ASN 80 77 PRO 81 78 ILE 82 79 TYR 83 80 TRP 84 81 ALA 85 82 ARG 86 83 TYR 87 84 ALA 88 85 ASP 89 86 TRP 90 87 LEU 91 88 PHE 92 89 THR 93 90 THR 94 91 PRO 95 92 LEU 96 93 LEU 97 94 LEU 98 95 LEU 99 96 ASP 100 97 LEU 101 98 ALA 102 99 LEU 103 100 LEU 104 101 VAL 105 102 ASP 106 103 ALA 107 104 ASP 108 105 GLN 109 106 GLY 110 107 THR 111 108 ILE 112 109 LEU 113 110 ALA 114 111 LEU 115 112 VAL 116 113 GLY 117 114 ALA 118 115 ASP 119 116 GLY 120 117 ILE 121 118 MET 122 119 ILE 123 120 GLY 124 121 THR 125 122 GLY 126 123 LEU 127 124 VAL 128 125 GLY 129 126 ALA 130 127 LEU 131 128 THR 132 129 LYS 133 130 VAL 134 131 TYR 135 132 SER 136 133 TYR 137 134 ARG 138 135 PHE 139 136 VAL 140 137 TRP 141 138 TRP 142 139 ALA 143 140 ILE 144 141 SER 145 142 THR 146 143 ALA 147 144 ALA 148 145 MET 149 146 LEU 150 147 TYR 151 148 ILE 152 149 LEU 153 150 TYR 154 151 VAL 155 152 LEU 156 153 PHE 157 154 PHE 158 155 GLY 159 156 PHE 160 157 THR 161 158 SER 162 159 LYS 163 160 ALA 164 161 GLU 165 162 SER 166 163 MET 167 164 ARG 168 165 PRO 169 166 GLU 170 167 VAL 171 168 ALA 172 169 SER 173 170 THR 174 171 PHE 175 172 LYS 176 173 VAL 177 174 LEU 178 175 ARG 179 176 ASN 180 177 VAL 181 178 THR 182 179 VAL 183 180 VAL 184 181 LEU 185 182 TRP 186 183 SER 187 184 ALA 188 185 TYR 189 186 PRO 190 187 VAL 191 188 VAL 192 189 TRP 193 190 LEU 194 191 ILE 195 192 GLY 196 193 SER 197 194 GLU 198 195 GLY 199 196 ALA 200 197 GLY 201 198 ILE 202 199 VAL 203 200 PRO 204 201 LEU 205 202 ASN 206 203 ILE 207 204 GLU 208 205 THR 209 206 LEU 210 207 LEU 211 208 PHE 212 209 MET 213 210 VAL 214 211 LEU 215 212 ASP 216 213 VAL 217 214 SER 218 215 ALA 219 216 LYS 220 217 VAL 221 218 GLY 222 219 PHE 223 220 GLY 224 221 LEU 225 222 ILE 226 223 LEU 227 224 LEU 228 225 ARG 229 226 SER 230 227 ARG 231 228 ALA 232 229 ILE 233 230 PHE 234 231 GLY 235 232 GLU 236 233 ALA 237 234 GLU 238 235 ALA 239 236 PRO 240 237 GLU 241 238 PRO 242 239 SER 243 240 ALA 244 241 GLY 245 242 ASP 246 243 GLY 247 244 ALA 248 245 ALA 249 246 ALA 250 247 THR 251 248 SER 252 249 LEU 253 250 GLU 254 251 HIS 255 252 HIS 256 253 HIS 257 254 HIS 258 255 HIS 259 256 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 SP P02945 BACR_HALSA . . . . . stop_ 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 'Halobacterium halobium' 2242 Archaea . Halobacterium halobium stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 DE3 plasmid pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Bacteriorhodopsin incorporated into nanodiscs' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 350 uM '[U-2H; U-15N; U-13; ILV 13C/1H]' 'potassium phosphate' 40 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Bacteriorhodopsin incorporated into nanodiscs' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-2H; U-15N; U-13; AILV 13C/1H]' 'potassium phosphate' 40 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Bacteriorhodopsin incorporated into nanodiscs' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 450 uM '[U-2H; U-15N; U-13; MILV 13C/1H]' 'potassium phosphate' 40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Software_module: FLYA' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_NA_1 _Saveframe_category NMR_applied_experiment _Experiment_name NA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . pH pressure 1 . atm temperature 320 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Proton chemical shifts were referenced to the water line at 4.53 ppm at 320 K, from which the nitrogen and carbon scales were derived indirectly by using the conversion factors of 0.10132900 (15N) and 0.25144954 (13C). ; 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_ _Experiment_label NA 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 Bacteriorhodopsin _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 0 3 LYS H H 8.746 0.020 1 2 0 3 LYS C C 178.316 0.400 1 3 0 3 LYS CA C 57.496 0.400 1 4 0 3 LYS CB C 30.942 0.400 1 5 0 3 LYS N N 124.011 0.400 1 6 1 4 LEU H H 8.291 0.020 1 7 1 4 LEU HD1 H 0.770 0.020 2 8 1 4 LEU HD2 H 0.735 0.020 2 9 1 4 LEU C C 178.278 0.400 1 10 1 4 LEU CA C 56.789 0.400 1 11 1 4 LEU CB C 40.127 0.400 1 12 1 4 LEU CD1 C 23.507 0.400 2 13 1 4 LEU CD2 C 22.884 0.400 2 14 1 4 LEU N N 119.747 0.400 1 15 2 5 ALA H H 7.765 0.020 1 16 2 5 ALA C C 179.247 0.400 1 17 2 5 ALA CA C 53.573 0.400 1 18 2 5 ALA CB C 17.328 0.400 1 19 2 5 ALA N N 120.162 0.400 1 20 3 6 GLN H H 7.610 0.020 1 21 3 6 GLN C C 177.930 0.400 1 22 3 6 GLN CA C 56.982 0.400 1 23 3 6 GLN CB C 27.821 0.400 1 24 3 6 GLN N N 116.062 0.400 1 25 4 7 ILE H H 7.733 0.020 1 26 4 7 ILE HD1 H 0.688 0.020 1 27 4 7 ILE C C 176.421 0.400 1 28 4 7 ILE CA C 63.994 0.400 1 29 4 7 ILE CB C 37.413 0.400 1 30 4 7 ILE CD1 C 12.761 0.400 1 31 4 7 ILE N N 119.392 0.400 1 32 5 8 THR H H 7.372 0.020 1 33 5 8 THR CA C 62.096 0.400 1 34 5 8 THR N N 105.260 0.400 1 35 6 9 GLY H H 7.473 0.020 1 36 6 9 GLY C C 173.982 0.400 1 37 6 9 GLY CA C 45.225 0.400 1 38 6 9 GLY N N 107.733 0.400 1 39 7 10 ARG H H 7.274 0.020 1 40 7 10 ARG C C 174.880 0.400 1 41 7 10 ARG CA C 52.576 0.400 1 42 7 10 ARG CB C 29.278 0.400 1 43 7 10 ARG N N 120.607 0.400 1 44 11 14 ILE HD1 H 0.141 0.020 1 45 11 14 ILE CD1 C 11.983 0.400 1 46 12 15 TRP H H 6.253 0.020 1 47 12 15 TRP C C 179.507 0.400 1 48 12 15 TRP CA C 56.241 0.400 1 49 12 15 TRP CB C 29.384 0.400 1 50 12 15 TRP N N 120.037 0.400 1 51 13 16 LEU H H 7.556 0.020 1 52 13 16 LEU CA C 56.950 0.400 1 53 13 16 LEU CB C 41.122 0.400 1 54 13 16 LEU N N 117.628 0.400 1 55 14 17 ALA H H 9.117 0.020 1 56 14 17 ALA HB H 1.493 0.020 1 57 14 17 ALA CA C 55.278 0.400 1 58 14 17 ALA CB C 15.968 0.400 1 59 14 17 ALA N N 125.187 0.400 1 60 15 18 LEU H H 8.273 0.020 1 61 15 18 LEU HD1 H 0.882 0.020 2 62 15 18 LEU HD2 H 0.891 0.020 2 63 15 18 LEU C C 178.556 0.400 1 64 15 18 LEU CA C 57.722 0.400 1 65 15 18 LEU CB C 40.680 0.400 1 66 15 18 LEU CD1 C 23.117 0.400 2 67 15 18 LEU CD2 C 23.665 0.400 2 68 15 18 LEU N N 118.417 0.400 1 69 16 19 GLY H H 8.551 0.020 1 70 16 19 GLY CA C 46.963 0.400 1 71 16 19 GLY N N 105.612 0.400 1 72 18 21 ALA H H 8.067 0.020 1 73 18 21 ALA HB H 1.388 0.020 1 74 18 21 ALA C C 178.963 0.400 1 75 18 21 ALA CA C 55.021 0.400 1 76 18 21 ALA CB C 17.255 0.400 1 77 18 21 ALA N N 120.984 0.400 1 78 19 22 LEU H H 8.615 0.020 1 79 19 22 LEU HD1 H 0.812 0.020 2 80 19 22 LEU HD2 H 0.705 0.020 2 81 19 22 LEU C C 179.503 0.400 1 82 19 22 LEU CA C 57.950 0.400 1 83 19 22 LEU CB C 40.573 0.400 1 84 19 22 LEU CD1 C 24.848 0.400 2 85 19 22 LEU CD2 C 20.937 0.400 2 86 19 22 LEU N N 115.898 0.400 1 87 20 23 MET H H 8.496 0.020 1 88 20 23 MET HE H 1.968 0.020 1 89 20 23 MET C C 180.723 0.400 1 90 20 23 MET CA C 57.077 0.400 1 91 20 23 MET CB C 30.038 0.400 1 92 20 23 MET CE C 18.284 0.400 1 93 20 23 MET N N 115.190 0.400 1 94 21 24 GLY H H 8.731 0.020 1 95 21 24 GLY C C 173.998 0.400 1 96 21 24 GLY CA C 47.269 0.400 1 97 21 24 GLY N N 109.838 0.400 1 98 22 25 LEU H H 8.553 0.020 1 99 22 25 LEU HD1 H 0.728 0.020 2 100 22 25 LEU HD2 H 0.717 0.020 2 101 22 25 LEU C C 178.492 0.400 1 102 22 25 LEU CA C 57.561 0.400 1 103 22 25 LEU CB C 40.610 0.400 1 104 22 25 LEU CD1 C 23.660 0.400 2 105 22 25 LEU CD2 C 22.105 0.400 2 106 22 25 LEU N N 120.755 0.400 1 107 23 26 GLY H H 8.327 0.020 1 108 23 26 GLY C C 172.730 0.400 1 109 23 26 GLY CA C 46.916 0.400 1 110 23 26 GLY N N 104.565 0.400 1 111 24 27 THR H H 7.724 0.020 1 112 24 27 THR CA C 67.950 0.400 1 113 24 27 THR N N 115.875 0.400 1 114 25 28 LEU H H 7.658 0.020 1 115 25 28 LEU HD1 H 0.735 0.020 2 116 25 28 LEU HD2 H 0.717 0.020 2 117 25 28 LEU C C 177.401 0.400 1 118 25 28 LEU CA C 57.626 0.400 1 119 25 28 LEU CB C 40.937 0.400 1 120 25 28 LEU CD1 C 23.662 0.400 2 121 25 28 LEU CD2 C 22.728 0.400 2 122 25 28 LEU N N 118.097 0.400 1 123 26 29 TYR H H 8.258 0.020 1 124 26 29 TYR C C 176.566 0.400 1 125 26 29 TYR CA C 61.421 0.400 1 126 26 29 TYR CB C 37.585 0.400 1 127 26 29 TYR N N 117.919 0.400 1 128 27 30 PHE H H 8.165 0.020 1 129 27 30 PHE C C 178.733 0.400 1 130 27 30 PHE CA C 57.851 0.400 1 131 27 30 PHE CB C 37.002 0.400 1 132 27 30 PHE N N 116.840 0.400 1 133 28 31 LEU H H 8.550 0.020 1 134 28 31 LEU HD1 H 0.835 0.020 2 135 28 31 LEU HD2 H 0.817 0.020 2 136 28 31 LEU C C 179.038 0.400 1 137 28 31 LEU CA C 57.740 0.400 1 138 28 31 LEU CB C 41.727 0.400 1 139 28 31 LEU CD1 C 23.825 0.400 2 140 28 31 LEU CD2 C 24.363 0.400 2 141 28 31 LEU N N 119.668 0.400 1 142 29 32 VAL H H 8.271 0.020 1 143 29 32 VAL HG1 H 0.870 0.020 2 144 29 32 VAL HG2 H 0.999 0.020 2 145 29 32 VAL C C 179.343 0.400 1 146 29 32 VAL CA C 65.859 0.400 1 147 29 32 VAL CB C 30.553 0.400 1 148 29 32 VAL CG1 C 20.392 0.400 2 149 29 32 VAL CG2 C 21.716 0.400 2 150 29 32 VAL N N 117.099 0.400 1 151 30 33 LYS H H 8.376 0.020 1 152 30 33 LYS C C 179.407 0.400 1 153 30 33 LYS CA C 57.593 0.400 1 154 30 33 LYS CB C 30.371 0.400 1 155 30 33 LYS N N 119.911 0.400 1 156 31 34 GLY H H 8.104 0.020 1 157 31 34 GLY C C 175.779 0.400 1 158 31 34 GLY CA C 45.873 0.400 1 159 31 34 GLY N N 106.090 0.400 1 160 32 35 MET H H 7.477 0.020 1 161 32 35 MET HE H 1.974 0.020 1 162 32 35 MET C C 177.272 0.400 1 163 32 35 MET CA C 57.561 0.400 1 164 32 35 MET CB C 31.464 0.400 1 165 32 35 MET CE C 15.833 0.400 1 166 32 35 MET N N 119.222 0.400 1 167 33 36 GLY H H 7.769 0.020 1 168 33 36 GLY C C 174.126 0.400 1 169 33 36 GLY CA C 44.510 0.400 1 170 33 36 GLY N N 105.598 0.400 1 171 34 37 VAL H H 7.098 0.020 1 172 34 37 VAL HG1 H 0.929 0.020 2 173 34 37 VAL HG2 H 0.700 0.020 2 174 34 37 VAL C C 175.185 0.400 1 175 34 37 VAL CA C 62.321 0.400 1 176 34 37 VAL CB C 31.568 0.400 1 177 34 37 VAL CG1 C 20.781 0.400 2 178 34 37 VAL CG2 C 20.175 0.400 2 179 34 37 VAL N N 121.436 0.400 1 180 35 38 SER H H 8.666 0.020 1 181 35 38 SER CA C 57.529 0.400 1 182 35 38 SER CB C 63.818 0.400 1 183 35 38 SER N N 119.566 0.400 1 184 36 39 ASP H H 7.267 0.020 1 185 36 39 ASP C C 174.511 0.400 1 186 36 39 ASP CA C 52.094 0.400 1 187 36 39 ASP CB C 42.978 0.400 1 188 36 39 ASP N N 125.582 0.400 1 189 37 40 PRO C C 179.017 0.400 1 190 37 40 PRO CA C 64.894 0.400 1 191 37 40 PRO CB C 31.268 0.400 1 192 38 41 ASP H H 7.980 0.020 1 193 38 41 ASP C C 177.689 0.400 1 194 38 41 ASP CA C 56.982 0.400 1 195 38 41 ASP CB C 39.553 0.400 1 196 38 41 ASP N N 118.688 0.400 1 197 39 42 ALA H H 8.254 0.020 1 198 39 42 ALA HB H 0.901 0.020 1 199 39 42 ALA C C 180.595 0.400 1 200 39 42 ALA CA C 54.827 0.400 1 201 39 42 ALA CB C 18.005 0.400 1 202 39 42 ALA N N 123.357 0.400 1 203 40 43 LYS H H 8.303 0.020 1 204 40 43 LYS C C 178.893 0.400 1 205 40 43 LYS CA C 59.620 0.400 1 206 40 43 LYS CB C 31.246 0.400 1 207 40 43 LYS N N 116.484 0.400 1 208 41 44 LYS H H 7.512 0.020 1 209 41 44 LYS C C 177.673 0.400 1 210 41 44 LYS CA C 59.505 0.400 1 211 41 44 LYS CB C 30.525 0.400 1 212 41 44 LYS N N 118.579 0.400 1 213 42 45 PHE H H 7.308 0.020 1 214 42 45 PHE C C 180.900 0.400 1 215 42 45 PHE CA C 61.774 0.400 1 216 42 45 PHE CB C 38.022 0.400 1 217 42 45 PHE N N 115.473 0.400 1 218 43 46 TYR H H 8.744 0.020 1 219 43 46 TYR C C 178.460 0.400 1 220 43 46 TYR CA C 63.801 0.400 1 221 43 46 TYR CB C 37.075 0.400 1 222 43 46 TYR N N 121.493 0.400 1 223 44 47 ALA H H 8.489 0.020 1 224 44 47 ALA HB H 1.472 0.020 1 225 44 47 ALA C C 178.203 0.400 1 226 44 47 ALA CA C 55.760 0.400 1 227 44 47 ALA CB C 17.293 0.400 1 228 44 47 ALA N N 124.072 0.400 1 229 45 48 ILE H H 7.821 0.020 1 230 45 48 ILE HD1 H 0.600 0.020 1 231 45 48 ILE C C 177.031 0.400 1 232 45 48 ILE CA C 65.248 0.400 1 233 45 48 ILE CB C 37.622 0.400 1 234 45 48 ILE CD1 C 12.528 0.400 1 235 45 48 ILE N N 114.280 0.400 1 236 46 49 THR H H 7.795 0.020 1 237 46 49 THR CB C 68.053 0.400 1 238 46 49 THR N N 109.719 0.400 1 239 48 51 LEU H H 7.354 0.020 1 240 48 51 LEU HD1 H 0.884 0.020 2 241 48 51 LEU HD2 H 0.824 0.020 2 242 48 51 LEU C C 177.288 0.400 1 243 48 51 LEU CA C 57.047 0.400 1 244 48 51 LEU CB C 41.447 0.400 1 245 48 51 LEU CD1 C 23.784 0.400 2 246 48 51 LEU CD2 C 23.356 0.400 2 247 48 51 LEU N N 118.569 0.400 1 248 49 52 VAL H H 7.247 0.020 1 249 49 52 VAL C C 174.704 0.400 1 250 49 52 VAL CA C 68.733 0.400 1 251 49 52 VAL CB C 28.041 0.400 1 252 49 52 VAL N N 114.354 0.400 1 253 50 53 PRO C C 176.801 0.400 1 254 50 53 PRO CA C 64.573 0.400 1 255 50 53 PRO CB C 29.289 0.400 1 256 51 54 ALA H H 7.195 0.020 1 257 51 54 ALA HB H 1.520 0.020 1 258 51 54 ALA C C 180.290 0.400 1 259 51 54 ALA CA C 55.246 0.400 1 260 51 54 ALA CB C 17.443 0.400 1 261 51 54 ALA N N 124.257 0.400 1 262 52 55 ILE H H 8.324 0.020 1 263 52 55 ILE HD1 H 0.735 0.020 1 264 52 55 ILE C C 178.637 0.400 1 265 52 55 ILE CA C 65.216 0.400 1 266 52 55 ILE CB C 36.588 0.400 1 267 52 55 ILE CD1 C 12.683 0.400 1 268 52 55 ILE N N 119.428 0.400 1 269 53 56 ALA H H 7.729 0.020 1 270 53 56 ALA HB H 1.781 0.020 1 271 53 56 ALA C C 180.033 0.400 1 272 53 56 ALA CA C 55.278 0.400 1 273 53 56 ALA CB C 17.444 0.400 1 274 53 56 ALA N N 122.219 0.400 1 275 54 57 PHE H H 9.342 0.020 1 276 54 57 PHE C C 175.426 0.400 1 277 54 57 PHE CA C 61.404 0.400 1 278 54 57 PHE CB C 37.622 0.400 1 279 54 57 PHE N N 119.058 0.400 1 280 55 58 THR H H 7.572 0.020 1 281 55 58 THR CA C 66.695 0.400 1 282 55 58 THR CB C 67.612 0.400 1 283 55 58 THR N N 113.422 0.400 1 284 60 63 MET HE H 1.039 0.020 1 285 60 63 MET CE C 14.597 0.400 1 286 68 71 MET HE H 1.879 0.020 1 287 68 71 MET CE C 16.244 0.400 1 288 73 76 GLY H H 8.349 0.020 1 289 73 76 GLY C C 173.805 0.400 1 290 73 76 GLY CA C 44.851 0.400 1 291 73 76 GLY N N 108.014 0.400 1 292 74 77 GLU H H 7.601 0.020 1 293 74 77 GLU C C 175.234 0.400 1 294 74 77 GLU CA C 54.249 0.400 1 295 74 77 GLU CB C 31.100 0.400 1 296 74 77 GLU N N 119.156 0.400 1 297 75 78 GLN H H 8.305 0.020 1 298 75 78 GLN C C 174.929 0.400 1 299 75 78 GLN CA C 54.956 0.400 1 300 75 78 GLN CB C 28.914 0.400 1 301 75 78 GLN N N 119.053 0.400 1 302 76 79 ASN H H 8.322 0.020 1 303 76 79 ASN C C 172.505 0.400 1 304 76 79 ASN CA C 50.453 0.400 1 305 76 79 ASN CB C 40.209 0.400 1 306 76 79 ASN N N 121.317 0.400 1 307 87 90 LEU HD1 H 0.670 0.020 2 308 87 90 LEU CD1 C 22.111 0.400 2 309 91 94 PRO C C 178.439 0.400 1 310 91 94 PRO CA C 65.827 0.400 1 311 91 94 PRO CB C 30.316 0.400 1 312 92 95 LEU H H 6.561 0.020 1 313 92 95 LEU HD1 H 0.940 0.020 2 314 92 95 LEU C C 178.341 0.400 1 315 92 95 LEU CA C 57.433 0.400 1 316 92 95 LEU CB C 40.057 0.400 1 317 92 95 LEU CD1 C 25.298 0.400 2 318 92 95 LEU N N 115.497 0.400 1 319 93 96 LEU H H 7.542 0.020 1 320 93 96 LEU CA C 57.819 0.400 1 321 93 96 LEU CB C 41.010 0.400 1 322 93 96 LEU N N 119.113 0.400 1 323 94 97 LEU H H 7.649 0.020 1 324 94 97 LEU HD1 H 0.929 0.020 2 325 94 97 LEU CA C 57.497 0.400 1 326 94 97 LEU CB C 40.209 0.400 1 327 94 97 LEU CD1 C 25.687 0.400 2 328 94 97 LEU N N 115.339 0.400 1 329 95 98 LEU H H 8.552 0.020 1 330 95 98 LEU HD1 H 0.846 0.020 2 331 95 98 LEU HD2 H 0.852 0.020 2 332 95 98 LEU C C 178.219 0.400 1 333 95 98 LEU CA C 57.562 0.400 1 334 95 98 LEU CB C 40.475 0.400 1 335 95 98 LEU CD1 C 22.650 0.400 2 336 95 98 LEU CD2 C 21.404 0.400 2 337 95 98 LEU N N 120.737 0.400 1 338 96 99 ASP H H 8.059 0.020 1 339 96 99 ASP CA C 55.535 0.400 1 340 96 99 ASP CB C 37.221 0.400 1 341 96 99 ASP N N 117.809 0.400 1 342 97 100 LEU H H 7.402 0.020 1 343 97 100 LEU C C 177.563 0.400 1 344 97 100 LEU CA C 57.786 0.400 1 345 97 100 LEU CB C 41.302 0.400 1 346 97 100 LEU N N 114.711 0.400 1 347 98 101 ALA H H 8.901 0.020 1 348 98 101 ALA HB H 1.376 0.020 1 349 98 101 ALA CA C 53.797 0.400 1 350 98 101 ALA CB C 17.781 0.400 1 351 98 101 ALA N N 119.232 0.400 1 352 99 102 LEU H H 8.945 0.020 1 353 99 102 LEU HD1 H 0.445 0.020 2 354 99 102 LEU HD2 H 0.570 0.020 2 355 99 102 LEU C C 180.787 0.400 1 356 99 102 LEU CA C 56.763 0.400 1 357 99 102 LEU CB C 40.684 0.400 1 358 99 102 LEU CD1 C 23.894 0.400 2 359 99 102 LEU CD2 C 21.093 0.400 2 360 99 102 LEU N N 117.270 0.400 1 361 100 103 LEU H H 7.728 0.020 1 362 100 103 LEU HD1 H 0.553 0.020 2 363 100 103 LEU HD2 H 0.623 0.020 2 364 100 103 LEU C C 176.972 0.400 1 365 100 103 LEU CA C 57.754 0.400 1 366 100 103 LEU CB C 41.447 0.400 1 367 100 103 LEU CD1 C 23.273 0.400 2 368 100 103 LEU CD2 C 24.441 0.400 2 369 100 103 LEU N N 120.538 0.400 1 370 101 104 VAL H H 6.666 0.020 1 371 101 104 VAL HG1 H 0.041 0.020 2 372 101 104 VAL HG2 H -0.158 0.020 2 373 101 104 VAL CA C 59.137 0.400 1 374 101 104 VAL CB C 29.351 0.400 1 375 101 104 VAL CG1 C 19.769 0.400 2 376 101 104 VAL CG2 C 16.032 0.400 2 377 101 104 VAL N N 103.337 0.400 1 378 102 105 ASP H H 7.528 0.020 1 379 102 105 ASP C C 175.121 0.400 1 380 102 105 ASP CA C 53.959 0.400 1 381 102 105 ASP CB C 38.387 0.400 1 382 102 105 ASP N N 119.682 0.400 1 383 103 106 ALA H H 7.891 0.020 1 384 103 106 ALA HB H 0.951 0.020 1 385 103 106 ALA C C 176.325 0.400 1 386 103 106 ALA CA C 51.740 0.400 1 387 103 106 ALA CB C 18.585 0.400 1 388 103 106 ALA N N 118.712 0.400 1 389 104 107 ASP H H 7.962 0.020 1 390 104 107 ASP C C 176.296 0.400 1 391 104 107 ASP CA C 52.898 0.400 1 392 104 107 ASP CB C 41.447 0.400 1 393 104 107 ASP N N 116.849 0.400 1 394 105 108 GLN H H 8.666 0.020 1 395 105 108 GLN C C 177.689 0.400 1 396 105 108 GLN CA C 59.415 0.400 1 397 105 108 GLN CB C 28.185 0.400 1 398 105 108 GLN N N 119.566 0.400 1 399 106 109 GLY H H 8.618 0.020 1 400 106 109 GLY C C 175.956 0.400 1 401 106 109 GLY CA C 47.099 0.400 1 402 106 109 GLY N N 106.519 0.400 1 403 107 110 THR H H 7.659 0.020 1 404 107 110 THR CA C 66.181 0.400 1 405 107 110 THR CB C 67.209 0.400 1 406 107 110 THR N N 119.000 0.400 1 407 108 111 ILE H H 7.827 0.020 1 408 108 111 ILE HD1 H 0.652 0.020 1 409 108 111 ILE CA C 66.228 0.400 1 410 108 111 ILE CB C 36.461 0.400 1 411 108 111 ILE CD1 C 11.827 0.400 1 412 108 111 ILE N N 120.060 0.400 1 413 109 112 LEU H H 8.319 0.020 1 414 109 112 LEU HD1 H 0.876 0.020 2 415 109 112 LEU C C 178.364 0.400 1 416 109 112 LEU CA C 57.851 0.400 1 417 109 112 LEU CB C 40.427 0.400 1 418 109 112 LEU CD1 C 24.130 0.400 2 419 109 112 LEU N N 118.101 0.400 1 420 110 113 ALA H H 7.856 0.020 1 421 110 113 ALA HB H 1.643 0.020 1 422 110 113 ALA CA C 55.196 0.400 1 423 110 113 ALA CB C 17.229 0.400 1 424 110 113 ALA N N 120.370 0.400 1 425 111 114 LEU H H 8.087 0.020 1 426 111 114 LEU C C 179.105 0.400 1 427 111 114 LEU CA C 57.688 0.400 1 428 111 114 LEU CB C 41.588 0.400 1 429 111 114 LEU N N 116.430 0.400 1 430 112 115 VAL H H 8.702 0.020 1 431 112 115 VAL HG1 H 0.940 0.020 2 432 112 115 VAL HG2 H 1.064 0.020 2 433 112 115 VAL C C 178.219 0.400 1 434 112 115 VAL CA C 66.465 0.400 1 435 112 115 VAL CB C 30.177 0.400 1 436 112 115 VAL CG1 C 20.446 0.400 2 437 112 115 VAL CG2 C 21.093 0.400 2 438 112 115 VAL N N 116.734 0.400 1 439 113 116 GLY H H 8.755 0.020 1 440 113 116 GLY C C 174.592 0.400 1 441 113 116 GLY CA C 47.201 0.400 1 442 113 116 GLY N N 108.074 0.400 1 443 114 117 ALA H H 8.536 0.020 1 444 114 117 ALA HB H 1.648 0.020 1 445 114 117 ALA C C 178.781 0.400 1 446 114 117 ALA CA C 55.181 0.400 1 447 114 117 ALA CB C 17.443 0.400 1 448 114 117 ALA N N 122.720 0.400 1 449 115 118 ASP H H 8.502 0.020 1 450 115 118 ASP CA C 56.403 0.400 1 451 115 118 ASP CB C 38.039 0.400 1 452 115 118 ASP N N 118.525 0.400 1 453 116 119 GLY H H 8.719 0.020 1 454 116 119 GLY C C 176.004 0.400 1 455 116 119 GLY CA C 46.929 0.400 1 456 116 119 GLY N N 106.286 0.400 1 457 117 120 ILE H H 7.969 0.020 1 458 117 120 ILE HD1 H 0.670 0.020 1 459 117 120 ILE CA C 64.774 0.400 1 460 117 120 ILE CD1 C 11.438 0.400 1 461 117 120 ILE N N 120.289 0.400 1 462 118 121 MET H H 8.750 0.020 1 463 118 121 MET HE H 1.601 0.020 1 464 118 121 MET C C 178.316 0.400 1 465 118 121 MET CA C 58.880 0.400 1 466 118 121 MET CB C 33.213 0.400 1 467 118 121 MET CE C 15.161 0.400 1 468 118 121 MET N N 124.417 0.400 1 469 119 122 ILE H H 8.412 0.020 1 470 119 122 ILE HD1 H 0.341 0.020 1 471 119 122 ILE CA C 61.453 0.400 1 472 119 122 ILE CB C 33.583 0.400 1 473 119 122 ILE CD1 C 9.024 0.400 1 474 119 122 ILE N N 117.157 0.400 1 475 120 123 GLY H H 8.880 0.020 1 476 120 123 GLY C C 175.041 0.400 1 477 120 123 GLY CA C 47.269 0.400 1 478 120 123 GLY N N 106.095 0.400 1 479 121 124 THR H H 8.526 0.020 1 480 121 124 THR CA C 65.537 0.400 1 481 121 124 THR CB C 67.820 0.400 1 482 121 124 THR N N 109.532 0.400 1 483 136 139 VAL HG1 H 0.435 0.020 2 484 136 139 VAL CG1 C 19.769 0.400 2 485 140 143 ILE HD1 H 0.459 0.020 1 486 140 143 ILE CD1 C 12.372 0.400 1 487 145 148 MET HE H 1.901 0.020 1 488 145 148 MET CE C 17.728 0.400 1 489 148 151 ILE HD1 H 0.999 0.020 1 490 148 151 ILE CD1 C 12.683 0.400 1 491 151 154 VAL HG1 H 0.952 0.020 2 492 151 154 VAL CG1 C 20.548 0.400 2 493 152 155 LEU H H 8.112 0.020 1 494 152 155 LEU C C 177.957 0.400 1 495 152 155 LEU CA C 57.643 0.400 1 496 152 155 LEU CB C 41.812 0.400 1 497 152 155 LEU N N 116.533 0.400 1 498 153 156 PHE H H 8.656 0.020 1 499 153 156 PHE CA C 61.405 0.400 1 500 153 156 PHE CB C 39.540 0.400 1 501 153 156 PHE N N 115.328 0.400 1 502 154 157 PHE H H 8.607 0.020 1 503 154 157 PHE C C 177.139 0.400 1 504 154 157 PHE CA C 59.625 0.400 1 505 154 157 PHE CB C 37.439 0.400 1 506 154 157 PHE N N 117.187 0.400 1 507 155 158 GLY H H 7.887 0.020 1 508 155 158 GLY C C 176.928 0.400 1 509 155 158 GLY CA C 47.099 0.400 1 510 155 158 GLY N N 110.448 0.400 1 511 156 159 PHE H H 8.842 0.020 1 512 156 159 PHE C C 177.930 0.400 1 513 156 159 PHE CA C 57.461 0.400 1 514 156 159 PHE CB C 36.091 0.400 1 515 156 159 PHE N N 120.385 0.400 1 516 157 160 THR H H 6.782 0.020 1 517 157 160 THR CA C 67.113 0.400 1 518 157 160 THR CB C 67.820 0.400 1 519 157 160 THR N N 115.180 0.400 1 520 158 161 SER H H 7.522 0.020 1 521 158 161 SER CA C 60.881 0.400 1 522 158 161 SER CB C 61.778 0.400 1 523 158 161 SER N N 114.474 0.400 1 524 159 162 LYS H H 7.124 0.020 1 525 159 162 LYS C C 178.845 0.400 1 526 159 162 LYS CA C 57.851 0.400 1 527 159 162 LYS CB C 31.012 0.400 1 528 159 162 LYS N N 120.562 0.400 1 529 160 163 ALA H H 8.081 0.020 1 530 160 163 ALA HB H 1.099 0.020 1 531 160 163 ALA C C 179.127 0.400 1 532 160 163 ALA CA C 54.441 0.400 1 533 160 163 ALA CB C 17.229 0.400 1 534 160 163 ALA N N 121.402 0.400 1 535 161 164 GLU H H 7.757 0.020 1 536 161 164 GLU C C 177.433 0.400 1 537 161 164 GLU CA C 57.950 0.400 1 538 161 164 GLU CB C 28.622 0.400 1 539 161 164 GLU N N 112.887 0.400 1 540 162 165 SER H H 7.414 0.020 1 541 162 165 SER C C 174.190 0.400 1 542 162 165 SER CA C 58.011 0.400 1 543 162 165 SER CB C 63.367 0.400 1 544 162 165 SER N N 112.256 0.400 1 545 163 166 MET H H 7.353 0.020 1 546 163 166 MET HE H 2.007 0.020 1 547 163 166 MET C C 174.784 0.400 1 548 163 166 MET CA C 54.538 0.400 1 549 163 166 MET CB C 33.140 0.400 1 550 163 166 MET CE C 16.424 0.400 1 551 163 166 MET N N 121.665 0.400 1 552 164 167 ARG H H 8.058 0.020 1 553 164 167 ARG C C 175.426 0.400 1 554 164 167 ARG CA C 54.608 0.400 1 555 164 167 ARG CB C 27.950 0.400 1 556 164 167 ARG N N 118.085 0.400 1 557 165 168 PRO C C 178.696 0.400 1 558 165 168 PRO CA C 65.592 0.400 1 559 165 168 PRO CB C 30.806 0.400 1 560 166 169 GLU H H 9.828 0.020 1 561 166 169 GLU C C 179.455 0.400 1 562 166 169 GLU CA C 59.085 0.400 1 563 166 169 GLU CB C 27.450 0.400 1 564 166 169 GLU N N 116.318 0.400 1 565 167 170 VAL H H 7.482 0.020 1 566 167 170 VAL HG1 H 0.873 0.020 2 567 167 170 VAL HG2 H 1.052 0.020 2 568 167 170 VAL C C 176.726 0.400 1 569 167 170 VAL CA C 65.730 0.400 1 570 167 170 VAL CB C 30.437 0.400 1 571 167 170 VAL CG1 C 20.169 0.400 2 572 167 170 VAL CG2 C 21.638 0.400 2 573 167 170 VAL N N 120.397 0.400 1 574 168 171 ALA H H 7.678 0.020 1 575 168 171 ALA HB H 1.389 0.020 1 576 168 171 ALA C C 179.909 0.400 1 577 168 171 ALA CA C 55.857 0.400 1 578 168 171 ALA CB C 17.145 0.400 1 579 168 171 ALA N N 121.506 0.400 1 580 169 172 SER H H 8.429 0.020 1 581 169 172 SER CA C 61.160 0.400 1 582 169 172 SER CB C 62.041 0.400 1 583 169 172 SER N N 110.955 0.400 1 584 170 173 THR H H 7.387 0.020 1 585 170 173 THR CA C 66.567 0.400 1 586 170 173 THR CB C 67.972 0.400 1 587 170 173 THR N N 118.550 0.400 1 588 171 174 PHE H H 8.992 0.020 1 589 171 174 PHE C C 175.442 0.400 1 590 171 174 PHE CA C 62.417 0.400 1 591 171 174 PHE CB C 37.622 0.400 1 592 171 174 PHE N N 119.391 0.400 1 593 172 175 LYS H H 7.846 0.020 1 594 172 175 LYS C C 177.770 0.400 1 595 172 175 LYS CA C 60.842 0.400 1 596 172 175 LYS CB C 30.808 0.400 1 597 172 175 LYS N N 117.338 0.400 1 598 173 176 VAL H H 7.086 0.020 1 599 173 176 VAL HG1 H 0.828 0.020 2 600 173 176 VAL HG2 H 0.970 0.020 2 601 173 176 VAL C C 177.803 0.400 1 602 173 176 VAL CA C 66.268 0.400 1 603 173 176 VAL CB C 30.663 0.400 1 604 173 176 VAL CG1 C 20.435 0.400 2 605 173 176 VAL CG2 C 21.326 0.400 2 606 173 176 VAL N N 115.911 0.400 1 607 174 177 LEU H H 7.698 0.020 1 608 174 177 LEU HD1 H 0.241 0.020 2 609 174 177 LEU HD2 H 0.006 0.020 2 610 174 177 LEU C C 179.985 0.400 1 611 174 177 LEU CA C 57.047 0.400 1 612 174 177 LEU CB C 40.684 0.400 1 613 174 177 LEU CD1 C 26.154 0.400 2 614 174 177 LEU CD2 C 21.171 0.400 2 615 174 177 LEU N N 117.907 0.400 1 616 175 178 ARG H H 9.143 0.020 1 617 175 178 ARG CA C 58.558 0.400 1 618 175 178 ARG CB C 28.112 0.400 1 619 175 178 ARG N N 122.976 0.400 1 620 176 179 ASN H H 7.944 0.020 1 621 176 179 ASN CA C 55.465 0.400 1 622 176 179 ASN CB C 36.644 0.400 1 623 176 179 ASN N N 118.767 0.400 1 624 177 180 VAL HG2 H 1.005 0.020 2 625 177 180 VAL CG2 C 21.963 0.400 2 626 178 181 THR H H 8.374 0.020 1 627 178 181 THR CA C 61.637 0.400 1 628 178 181 THR N N 116.944 0.400 1 629 179 182 VAL H H 8.341 0.020 1 630 179 182 VAL HG1 H 0.958 0.020 2 631 179 182 VAL HG2 H 1.051 0.020 2 632 179 182 VAL C C 177.112 0.400 1 633 179 182 VAL CA C 66.116 0.400 1 634 179 182 VAL CB C 30.881 0.400 1 635 179 182 VAL CG1 C 20.314 0.400 2 636 179 182 VAL CG2 C 21.328 0.400 2 637 179 182 VAL N N 116.546 0.400 1 638 180 183 VAL H H 7.403 0.020 1 639 180 183 VAL HG1 H 0.852 0.020 2 640 180 183 VAL HG2 H 0.991 0.020 2 641 180 183 VAL C C 175.539 0.400 1 642 180 183 VAL CA C 66.181 0.400 1 643 180 183 VAL CB C 30.803 0.400 1 644 180 183 VAL CG1 C 20.314 0.400 2 645 180 183 VAL CG2 C 22.039 0.400 2 646 180 183 VAL N N 116.648 0.400 1 647 181 184 LEU H H 8.123 0.020 1 648 181 184 LEU C C 179.664 0.400 1 649 181 184 LEU CA C 57.252 0.400 1 650 181 184 LEU CB C 41.593 0.400 1 651 181 184 LEU N N 112.934 0.400 1 652 182 185 TRP H H 9.520 0.020 1 653 182 185 TRP C C 178.299 0.400 1 654 182 185 TRP CA C 61.998 0.400 1 655 182 185 TRP CB C 25.723 0.400 1 656 182 185 TRP N N 116.289 0.400 1 657 183 186 SER H H 7.132 0.020 1 658 183 186 SER CA C 62.418 0.400 1 659 183 186 SER N N 109.865 0.400 1 660 184 187 ALA H H 7.222 0.020 1 661 184 187 ALA HB H 1.360 0.020 1 662 184 187 ALA C C 179.953 0.400 1 663 184 187 ALA CA C 53.380 0.400 1 664 184 187 ALA CB C 18.278 0.400 1 665 184 187 ALA N N 117.158 0.400 1 666 185 188 TYR H H 7.751 0.020 1 667 185 188 TYR C C 176.653 0.400 1 668 185 188 TYR CA C 64.959 0.400 1 669 185 188 TYR CB C 35.253 0.400 1 670 185 188 TYR N N 116.958 0.400 1 671 188 191 VAL HG1 H -0.047 0.020 2 672 188 191 VAL CG1 C 20.626 0.400 2 673 190 193 LEU HD1 H 0.365 0.020 2 674 190 193 LEU CD1 C 22.817 0.400 2 675 191 194 ILE HD1 H 0.582 0.020 1 676 191 194 ILE CD1 C 12.761 0.400 1 677 196 199 ALA HB H 1.473 0.020 1 678 197 200 GLY H H 8.296 0.020 1 679 197 200 GLY C C 174.961 0.400 1 680 197 200 GLY CA C 46.690 0.400 1 681 197 200 GLY N N 105.921 0.400 1 682 198 201 ILE H H 7.632 0.020 1 683 198 201 ILE HD1 H 0.785 0.020 1 684 198 201 ILE C C 176.178 0.400 1 685 198 201 ILE CA C 62.351 0.400 1 686 198 201 ILE CB C 37.642 0.400 1 687 198 201 ILE CD1 C 11.996 0.400 1 688 198 201 ILE N N 117.942 0.400 1 689 199 202 VAL H H 7.830 0.020 1 690 199 202 VAL HG1 H 0.847 0.020 2 691 199 202 VAL HG2 H 0.676 0.020 2 692 199 202 VAL CA C 57.272 0.400 1 693 199 202 VAL CB C 32.010 0.400 1 694 199 202 VAL CG1 C 20.392 0.400 2 695 199 202 VAL CG2 C 19.302 0.400 2 696 199 202 VAL N N 114.688 0.400 1 697 200 203 PRO C C 177.604 0.400 1 698 200 203 PRO CA C 61.582 0.400 1 699 200 203 PRO CB C 31.851 0.400 1 700 201 204 LEU H H 8.756 0.020 1 701 201 204 LEU C C 179.905 0.400 1 702 201 204 LEU CA C 57.754 0.400 1 703 201 204 LEU CB C 41.010 0.400 1 704 201 204 LEU N N 121.949 0.400 1 705 202 205 ASN H H 9.414 0.020 1 706 202 205 ASN C C 175.603 0.400 1 707 202 205 ASN CA C 57.569 0.400 1 708 202 205 ASN CB C 35.117 0.400 1 709 202 205 ASN N N 118.308 0.400 1 710 203 206 ILE H H 6.911 0.020 1 711 203 206 ILE HD1 H 0.699 0.020 1 712 203 206 ILE C C 177.336 0.400 1 713 203 206 ILE CA C 61.067 0.400 1 714 203 206 ILE CB C 35.006 0.400 1 715 203 206 ILE CD1 C 8.245 0.400 1 716 203 206 ILE N N 119.379 0.400 1 717 204 207 GLU H H 8.611 0.020 1 718 204 207 GLU CA C 59.394 0.400 1 719 204 207 GLU CB C 28.112 0.400 1 720 204 207 GLU N N 122.241 0.400 1 721 206 209 LEU HD1 H -0.282 0.020 2 722 206 209 LEU HD2 H 0.171 0.020 2 723 206 209 LEU CD1 C 20.937 0.400 2 724 206 209 LEU CD2 C 23.896 0.400 2 725 207 210 LEU HD1 H 0.582 0.020 2 726 207 210 LEU HD2 H 0.523 0.020 2 727 207 210 LEU CD1 C 24.753 0.400 2 728 207 210 LEU CD2 C 20.859 0.400 2 729 209 212 MET HE H 2.036 0.020 1 730 209 212 MET CE C 16.200 0.400 1 731 210 213 VAL H H 8.176 0.020 1 732 210 213 VAL HG1 H 0.705 0.020 2 733 210 213 VAL HG2 H 0.835 0.020 2 734 210 213 VAL C C 179.503 0.400 1 735 210 213 VAL CA C 66.309 0.400 1 736 210 213 VAL CB C 30.385 0.400 1 737 210 213 VAL CG1 C 20.003 0.400 2 738 210 213 VAL CG2 C 21.093 0.400 2 739 210 213 VAL N N 118.123 0.400 1 740 211 214 LEU H H 8.065 0.020 1 741 211 214 LEU HD1 H -0.035 0.020 2 742 211 214 LEU CA C 58.336 0.400 1 743 211 214 LEU CD1 C 22.884 0.400 2 744 211 214 LEU N N 122.019 0.400 1 745 212 215 ASP H H 9.220 0.020 1 746 212 215 ASP CA C 56.833 0.400 1 747 212 215 ASP CB C 40.173 0.400 1 748 212 215 ASP N N 118.142 0.400 1 749 213 216 VAL H H 8.812 0.020 1 750 213 216 VAL HG1 H 0.844 0.020 2 751 213 216 VAL HG2 H 1.093 0.020 2 752 213 216 VAL CA C 66.779 0.400 1 753 213 216 VAL CB C 30.733 0.400 1 754 213 216 VAL CG1 C 20.414 0.400 2 755 213 216 VAL CG2 C 21.560 0.400 2 756 213 216 VAL N N 117.687 0.400 1 757 217 220 VAL HG1 H 0.846 0.020 2 758 217 220 VAL CG1 C 20.403 0.400 2 759 218 221 GLY H H 8.436 0.020 1 760 218 221 GLY CA C 48.121 0.400 1 761 218 221 GLY N N 107.554 0.400 1 762 219 222 PHE H H 7.027 0.020 1 763 219 222 PHE C C 176.036 0.400 1 764 219 222 PHE CA C 60.745 0.400 1 765 219 222 PHE CB C 40.500 0.400 1 766 219 222 PHE N N 118.673 0.400 1 767 220 223 GLY H H 7.905 0.020 1 768 220 223 GLY C C 174.030 0.400 1 769 220 223 GLY CA C 47.474 0.400 1 770 220 223 GLY N N 103.826 0.400 1 771 221 224 LEU H H 8.621 0.020 1 772 221 224 LEU HD1 H 0.876 0.020 2 773 221 224 LEU C C 178.556 0.400 1 774 221 224 LEU CA C 57.754 0.400 1 775 221 224 LEU CB C 41.520 0.400 1 776 221 224 LEU CD1 C 25.142 0.400 2 777 221 224 LEU N N 121.287 0.400 1 778 222 225 ILE H H 7.313 0.020 1 779 222 225 ILE HD1 H 0.658 0.020 1 780 222 225 ILE C C 178.091 0.400 1 781 222 225 ILE CA C 64.154 0.400 1 782 222 225 ILE CB C 36.926 0.400 1 783 222 225 ILE CD1 C 12.528 0.400 1 784 222 225 ILE N N 116.143 0.400 1 785 223 226 LEU H H 7.685 0.020 1 786 223 226 LEU HD1 H 0.294 0.020 2 787 223 226 LEU HD2 H 0.735 0.020 2 788 223 226 LEU C C 178.645 0.400 1 789 223 226 LEU CA C 57.915 0.400 1 790 223 226 LEU CB C 40.684 0.400 1 791 223 226 LEU CD1 C 21.716 0.400 2 792 223 226 LEU CD2 C 25.375 0.400 2 793 223 226 LEU N N 117.643 0.400 1 794 224 227 LEU H H 8.413 0.020 1 795 224 227 LEU HD1 H -0.205 0.020 2 796 224 227 LEU HD2 H -0.358 0.020 2 797 224 227 LEU C C 177.818 0.400 1 798 224 227 LEU CA C 55.821 0.400 1 799 224 227 LEU CB C 38.039 0.400 1 800 224 227 LEU CD1 C 22.572 0.400 2 801 224 227 LEU CD2 C 18.445 0.400 2 802 224 227 LEU N N 112.253 0.400 1 803 225 228 ARG H H 7.093 0.020 1 804 225 228 ARG C C 176.084 0.400 1 805 225 228 ARG CA C 55.439 0.400 1 806 225 228 ARG CB C 29.342 0.400 1 807 225 228 ARG N N 115.764 0.400 1 808 226 229 SER H H 7.379 0.020 1 809 226 229 SER C C 175.105 0.400 1 810 226 229 SER CA C 57.754 0.400 1 811 226 229 SER CB C 63.993 0.400 1 812 226 229 SER N N 115.679 0.400 1 813 227 230 ARG H H 8.738 0.020 1 814 227 230 ARG C C 177.930 0.400 1 815 227 230 ARG CA C 55.891 0.400 1 816 227 230 ARG CB C 28.490 0.400 1 817 227 230 ARG N N 120.512 0.400 1 818 228 231 ALA H H 8.073 0.020 1 819 228 231 ALA HB H 1.188 0.020 1 820 228 231 ALA C C 176.149 0.400 1 821 228 231 ALA CA C 53.444 0.400 1 822 228 231 ALA CB C 18.509 0.400 1 823 228 231 ALA N N 119.377 0.400 1 824 229 232 ILE H H 6.158 0.020 1 825 229 232 ILE HD1 H 0.605 0.020 1 826 229 232 ILE C C 173.838 0.400 1 827 229 232 ILE CA C 61.277 0.400 1 828 229 232 ILE CB C 36.763 0.400 1 829 229 232 ILE CD1 C 13.929 0.400 1 830 229 232 ILE N N 104.207 0.400 1 831 230 233 PHE H H 6.888 0.020 1 832 230 233 PHE C C 177.015 0.400 1 833 230 233 PHE CA C 57.175 0.400 1 834 230 233 PHE CB C 39.844 0.400 1 835 230 233 PHE N N 116.407 0.400 1 836 231 234 GLY H H 9.124 0.020 1 837 231 234 GLY C C 174.495 0.400 1 838 231 234 GLY CA C 44.919 0.400 1 839 231 234 GLY N N 109.964 0.400 1 840 232 235 GLU H H 8.301 0.020 1 841 232 235 GLU C C 176.004 0.400 1 842 232 235 GLU CA C 55.857 0.400 1 843 232 235 GLU CB C 29.715 0.400 1 844 232 235 GLU N N 120.611 0.400 1 845 233 236 ALA H H 8.259 0.020 1 846 233 236 ALA HB H 1.353 0.020 1 847 233 236 ALA C C 177.465 0.400 1 848 233 236 ALA CA C 51.965 0.400 1 849 233 236 ALA CB C 18.639 0.400 1 850 233 236 ALA N N 125.313 0.400 1 851 234 237 GLU H H 8.190 0.020 1 852 234 237 GLU C C 175.699 0.400 1 853 234 237 GLU CA C 55.696 0.400 1 854 234 237 GLU CB C 29.497 0.400 1 855 234 237 GLU N N 119.919 0.400 1 856 235 238 ALA H H 8.178 0.020 1 857 235 238 ALA HB H 1.306 0.020 1 858 235 238 ALA C C 175.410 0.400 1 859 235 238 ALA CA C 49.842 0.400 1 860 235 238 ALA CB C 17.473 0.400 1 861 235 238 ALA N N 126.198 0.400 1 862 236 239 PRO C C 176.641 0.400 1 863 236 239 PRO CA C 62.386 0.400 1 864 236 239 PRO CB C 31.015 0.400 1 865 237 240 GLU H H 8.200 0.020 1 866 237 240 GLU C C 174.897 0.400 1 867 237 240 GLU CA C 53.863 0.400 1 868 237 240 GLU CB C 28.841 0.400 1 869 237 240 GLU N N 121.587 0.400 1 870 238 241 PRO C C 177.059 0.400 1 871 238 241 PRO CA C 63.045 0.400 1 872 238 241 PRO CB C 31.015 0.400 1 873 239 242 SER H H 8.227 0.020 1 874 239 242 SER C C 174.447 0.400 1 875 239 242 SER CA C 57.775 0.400 1 876 239 242 SER CB C 63.145 0.400 1 877 239 242 SER N N 115.242 0.400 1 878 240 243 ALA H H 8.171 0.020 1 879 240 243 ALA C C 178.155 0.400 1 880 240 243 ALA CA C 52.222 0.400 1 881 240 243 ALA CB C 18.566 0.400 1 882 240 243 ALA N N 125.501 0.400 1 883 241 244 GLY H H 8.150 0.020 1 884 241 244 GLY C C 174.046 0.400 1 885 241 244 GLY CA C 44.919 0.400 1 886 241 244 GLY N N 107.467 0.400 1 887 242 245 ASP H H 8.094 0.020 1 888 242 245 ASP C C 176.983 0.400 1 889 242 245 ASP CA C 54.023 0.400 1 890 242 245 ASP CB C 40.573 0.400 1 891 242 245 ASP N N 120.171 0.400 1 892 243 246 GLY H H 8.258 0.020 1 893 243 246 GLY C C 174.254 0.400 1 894 243 246 GLY CA C 45.123 0.400 1 895 243 246 GLY N N 109.076 0.400 1 896 244 247 ALA H H 7.969 0.020 1 897 244 247 ALA C C 177.625 0.400 1 898 244 247 ALA CA C 52.094 0.400 1 899 244 247 ALA CB C 18.202 0.400 1 900 244 247 ALA N N 123.357 0.400 1 901 245 248 ALA H H 8.028 0.020 1 902 245 248 ALA C C 177.669 0.400 1 903 245 248 ALA CA C 52.189 0.400 1 904 245 248 ALA CB C 18.202 0.400 1 905 245 248 ALA N N 122.335 0.400 1 906 246 249 ALA H H 8.043 0.020 1 907 246 249 ALA C C 178.059 0.400 1 908 246 249 ALA CA C 52.087 0.400 1 909 246 249 ALA CB C 18.129 0.400 1 910 246 249 ALA N N 122.376 0.400 1 911 247 250 THR H H 7.887 0.020 1 912 247 250 THR C C 174.704 0.400 1 913 247 250 THR CA C 61.509 0.400 1 914 247 250 THR CB C 69.073 0.400 1 915 247 250 THR N N 111.982 0.400 1 916 248 251 SER H H 8.072 0.020 1 917 248 251 SER C C 174.479 0.400 1 918 248 251 SER CA C 57.947 0.400 1 919 248 251 SER CB C 63.019 0.400 1 920 248 251 SER N N 117.212 0.400 1 921 249 252 LEU H H 8.068 0.020 1 922 249 252 LEU C C 177.176 0.400 1 923 249 252 LEU CA C 54.956 0.400 1 924 249 252 LEU CB C 41.156 0.400 1 925 249 252 LEU N N 123.438 0.400 1 926 250 253 GLU H H 8.059 0.020 1 927 250 253 GLU C C 176.165 0.400 1 928 250 253 GLU CA C 56.114 0.400 1 929 250 253 GLU CB C 29.278 0.400 1 930 250 253 GLU N N 120.211 0.400 1 stop_ save_