data_17327 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Not known ; _BMRB_accession_number 17327 _BMRB_flat_file_name bmr17327.str _Entry_type original _Submission_date 2010-11-29 _Accession_date 2010-11-29 _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 Reckel Sina . . 2 Gottstein Daniel . . 3 Stehle Jochen . . 4 Loehr Frank . . 5 Takeda Mitsuhiro . . 6 Silvers Robert . . 7 Kainosho Masatsune . . 8 Glaubitz Clemens . . 9 Bernhard Frank . . 10 Schwalbe Harald . . 11 Guntert Peter . . 12 Doetsch Volker . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 708 "13C chemical shifts" 783 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-12 update BMRB 'update entry citation' 2011-10-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of proteorhodopsin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22034093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reckel Sina . . 2 Gottstein Daniel . . 3 Stehle Jochen . . 4 Lohr Frank . . 5 Verhoefen Mirka-Kristin . . 6 Takeda Mitsuhiro . . 7 Silvers Robert . . 8 Kainosho Masatsune . . 9 Glaubitz Clemens . . 10 Wachtveitl Josef . . 11 Bernhard Frank . . 12 Schwalbe Harald . . 13 Guntert Peter . . 14 Dotsch Volker . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_name_full 'Angewandte Chemie (International ed. in English)' _Journal_volume 50 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11942 _Page_last 11946 _Year 2011 _Details . loop_ _Keyword 'cell-free expression' 'membrane protein' 'solution NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name proteorhodopsin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label proteorhodopsin $proteorhodopsin 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_proteorhodopsin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common proteorhodopsin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 243 _Mol_residue_sequence ; MGGGDLDASDYTGVSFWLVT AALLASTVFFFVERDRVSAK WKTSLTVSGLVTGIAFWHYM YMRGVWIETGDSPTVFRYID WLLTVPLLICEFYLILAAAT NVAGSLFKKLLVGSLVMLVF GYMGEAGIMAAWPAFIIGCL AWVYMIYELWAGEGKSACNT ASPAVQSAYNTMMYIIIFGW AIYPVGYFTGYLMGDGGSAL NLNLIYNLADFVNXILFGLI IWNVAVKESSNAPGGGSHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 MET 2 19 GLY 3 20 GLY 4 21 GLY 5 22 ASP 6 23 LEU 7 24 ASP 8 25 ALA 9 26 SER 10 27 ASP 11 28 TYR 12 29 THR 13 30 GLY 14 31 VAL 15 32 SER 16 33 PHE 17 34 TRP 18 35 LEU 19 36 VAL 20 37 THR 21 38 ALA 22 39 ALA 23 40 LEU 24 41 LEU 25 42 ALA 26 43 SER 27 44 THR 28 45 VAL 29 46 PHE 30 47 PHE 31 48 PHE 32 49 VAL 33 50 GLU 34 51 ARG 35 52 ASP 36 53 ARG 37 54 VAL 38 55 SER 39 56 ALA 40 57 LYS 41 58 TRP 42 59 LYS 43 60 THR 44 61 SER 45 62 LEU 46 63 THR 47 64 VAL 48 65 SER 49 66 GLY 50 67 LEU 51 68 VAL 52 69 THR 53 70 GLY 54 71 ILE 55 72 ALA 56 73 PHE 57 74 TRP 58 75 HIS 59 76 TYR 60 77 MET 61 78 TYR 62 79 MET 63 80 ARG 64 81 GLY 65 82 VAL 66 83 TRP 67 84 ILE 68 85 GLU 69 86 THR 70 87 GLY 71 88 ASP 72 89 SER 73 90 PRO 74 91 THR 75 92 VAL 76 93 PHE 77 94 ARG 78 95 TYR 79 96 ILE 80 97 ASP 81 98 TRP 82 99 LEU 83 100 LEU 84 101 THR 85 102 VAL 86 103 PRO 87 104 LEU 88 105 LEU 89 106 ILE 90 107 CYS 91 108 GLU 92 109 PHE 93 110 TYR 94 111 LEU 95 112 ILE 96 113 LEU 97 114 ALA 98 115 ALA 99 116 ALA 100 117 THR 101 118 ASN 102 119 VAL 103 120 ALA 104 121 GLY 105 122 SER 106 123 LEU 107 124 PHE 108 125 LYS 109 126 LYS 110 127 LEU 111 128 LEU 112 129 VAL 113 130 GLY 114 131 SER 115 132 LEU 116 133 VAL 117 134 MET 118 135 LEU 119 136 VAL 120 137 PHE 121 138 GLY 122 139 TYR 123 140 MET 124 141 GLY 125 142 GLU 126 143 ALA 127 144 GLY 128 145 ILE 129 146 MET 130 147 ALA 131 148 ALA 132 149 TRP 133 150 PRO 134 151 ALA 135 152 PHE 136 153 ILE 137 154 ILE 138 155 GLY 139 156 CYS 140 157 LEU 141 158 ALA 142 159 TRP 143 160 VAL 144 161 TYR 145 162 MET 146 163 ILE 147 164 TYR 148 165 GLU 149 166 LEU 150 167 TRP 151 168 ALA 152 169 GLY 153 170 GLU 154 171 GLY 155 172 LYS 156 173 SER 157 174 ALA 158 175 CYS 159 176 ASN 160 177 THR 161 178 ALA 162 179 SER 163 180 PRO 164 181 ALA 165 182 VAL 166 183 GLN 167 184 SER 168 185 ALA 169 186 TYR 170 187 ASN 171 188 THR 172 189 MET 173 190 MET 174 191 TYR 175 192 ILE 176 193 ILE 177 194 ILE 178 195 PHE 179 196 GLY 180 197 TRP 181 198 ALA 182 199 ILE 183 200 TYR 184 201 PRO 185 202 VAL 186 203 GLY 187 204 TYR 188 205 PHE 189 206 THR 190 207 GLY 191 208 TYR 192 209 LEU 193 210 MET 194 211 GLY 195 212 ASP 196 213 GLY 197 214 GLY 198 215 SER 199 216 ALA 200 217 LEU 201 218 ASN 202 219 LEU 203 220 ASN 204 221 LEU 205 222 ILE 206 223 TYR 207 224 ASN 208 225 LEU 209 226 ALA 210 227 ASP 211 228 PHE 212 229 VAL 213 230 ASN 214 231 LYR 215 232 ILE 216 233 LEU 217 234 PHE 218 235 GLY 219 236 LEU 220 237 ILE 221 238 ILE 222 239 TRP 223 240 ASN 224 241 VAL 225 242 ALA 226 243 VAL 227 244 LYS 228 245 GLU 229 246 SER 230 247 SER 231 248 ASN 232 249 ALA 233 250 PRO 234 251 GLY 235 252 GLY 236 253 GLY 237 254 SER 238 255 HIS 239 256 HIS 240 257 HIS 241 258 HIS 242 259 HIS 243 260 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 BMRB 15955 GPR 99.59 255 97.52 97.52 1.04e-165 BMRB 17817 GPR 99.59 255 97.52 97.52 1.04e-165 PDB 2L6X "Solution Nmr Structure Of Proteorhodopsin" 100.00 243 99.59 99.59 1.11e-172 GB AAG10475 "proteorhodopsin [uncultured marine gamma proteobacterium EBAC31A08]" 95.06 249 99.57 99.57 2.58e-161 GB AAK30175 "proteorhodopsin, partial [uncultured bacterium]" 95.47 252 96.98 98.71 9.45e-159 GB AAK30176 "proteorhodopsin, partial [uncultured bacterium]" 95.06 251 96.97 97.84 8.24e-157 GB AAK30183 "proteorhodopsin, partial [uncultured bacterium]" 95.06 251 96.97 97.84 8.24e-157 GB AAK30184 "proteorhodopsin, partial [uncultured bacterium]" 95.06 251 96.97 98.27 2.85e-157 SP Q9F7P4 "RecName: Full=Green-light absorbing proteorhodopsin; Short=GPR; Flags: Precursor" 95.06 249 99.57 99.57 2.58e-161 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_LYR _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE _BMRB_code LYR _PDB_code LYR _Standard_residue_derivative . _Molecular_mass 414.624 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? NZ NZ N . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C80 C80 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HZ HZ H . 0 . ? H1 H1 H . 0 . ? H11 H11 H . 0 . ? HC2 HC2 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H133 H133 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? H193 H193 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE NZ ? ? SING CE HE2 ? ? SING CE HE3 ? ? SING NZ C1 ? ? SING NZ HZ ? ? SING C1 C2 ? ? SING C1 H1 ? ? SING C1 H11 ? ? DOUB C2 C3 ? ? SING C2 HC2 ? ? SING C3 C4 ? ? SING C3 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C4 H43 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 C7 ? ? SING C6 H6 ? ? DOUB C7 C80 ? ? SING C7 H7 ? ? SING C80 C8 ? ? SING C80 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? DOUB C9 C10 ? ? SING C9 H9 ? ? SING C10 C11 ? ? SING C10 H10 ? ? DOUB C11 C12 ? ? SING C11 C17 ? ? SING C12 C13 ? ? SING C12 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C13 H133 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 C19 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $proteorhodopsin Gamma-proteobacterium 86473 bacteria . Gamma-proteobacterium Gamma-proteobacterium EBAC31A08 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $proteorhodopsin 'cell free synthesis' . E. "coli - cell free" . pIVEX2.3d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proteorhodopsin 300 uM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaOAc 25 mM 'natural abundance' DTT 2 mM 'natural abundance' diC7PC 2 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proteorhodopsin 300 uM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaOAc 25 mM 'natural abundance' DTT 2 mM 'natural abundance' diC7PC 2 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $proteorhodopsin 300 uM '[U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaOAc 25 mM 'natural abundance' DTT 2 mM 'natural abundance' diC7PC 2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM NaOAc pH5, 2 mM DTT, ~2% diC7PC' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.025 . M pH 5 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name proteorhodopsin _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 21 4 GLY H H 8.402 0.020 1 2 21 4 GLY C C 173.745 0.400 1 3 21 4 GLY CA C 45.630 0.400 1 4 21 4 GLY N N 109.173 0.400 1 5 22 5 ASP H H 8.114 0.020 1 6 22 5 ASP HA H 4.638 0.020 1 7 22 5 ASP C C 176.018 0.400 1 8 22 5 ASP CA C 54.232 0.400 1 9 22 5 ASP CB C 40.681 0.400 1 10 22 5 ASP N N 119.799 0.400 1 11 23 6 LEU H H 7.950 0.020 1 12 23 6 LEU HA H 4.309 0.020 1 13 23 6 LEU HB2 H 1.570 0.020 1 14 23 6 LEU HB3 H 1.570 0.020 1 15 23 6 LEU HG H 1.770 0.020 1 16 23 6 LEU HD1 H 0.809 0.020 2 17 23 6 LEU HD2 H 0.781 0.020 2 18 23 6 LEU C C 176.544 0.400 1 19 23 6 LEU CA C 55.466 0.400 1 20 23 6 LEU CB C 42.662 0.400 1 21 23 6 LEU CG C 27.114 0.400 1 22 23 6 LEU CD1 C 25.267 0.400 1 23 23 6 LEU CD2 C 23.803 0.400 1 24 23 6 LEU N N 121.528 0.400 1 25 24 7 ASP H H 8.322 0.020 1 26 24 7 ASP HA H 4.673 0.020 1 27 24 7 ASP HB2 H 2.727 0.020 1 28 24 7 ASP HB3 H 2.727 0.020 1 29 24 7 ASP C C 176.135 0.400 1 30 24 7 ASP CA C 53.895 0.400 1 31 24 7 ASP CB C 41.335 0.400 1 32 24 7 ASP N N 121.292 0.400 1 33 25 8 ALA H H 8.210 0.020 1 34 25 8 ALA HA H 4.164 0.020 1 35 25 8 ALA HB H 1.438 0.020 1 36 25 8 ALA C C 177.823 0.400 1 37 25 8 ALA CA C 53.386 0.400 1 38 25 8 ALA CB C 19.138 0.400 1 39 25 8 ALA N N 124.364 0.400 1 40 26 9 SER H H 8.260 0.020 1 41 26 9 SER HA H 4.353 0.020 1 42 26 9 SER HB2 H 3.893 0.020 1 43 26 9 SER HB3 H 3.893 0.020 1 44 26 9 SER C C 174.764 0.400 1 45 26 9 SER CA C 59.743 0.400 1 46 26 9 SER CB C 63.628 0.400 1 47 26 9 SER N N 113.001 0.400 1 48 27 10 ASP H H 7.966 0.020 1 49 27 10 ASP HA H 4.859 0.020 1 50 27 10 ASP HB2 H 2.780 0.020 1 51 27 10 ASP HB3 H 2.780 0.020 1 52 27 10 ASP C C 176.783 0.400 1 53 27 10 ASP CA C 53.656 0.400 1 54 27 10 ASP CB C 40.908 0.400 1 55 27 10 ASP N N 121.040 0.400 1 56 28 11 TYR H H 8.151 0.020 1 57 28 11 TYR HA H 4.353 0.020 1 58 28 11 TYR HB2 H 3.076 0.020 1 59 28 11 TYR HB3 H 3.076 0.020 1 60 28 11 TYR C C 178.307 0.400 1 61 28 11 TYR CA C 60.038 0.400 1 62 28 11 TYR CB C 37.697 0.400 1 63 28 11 TYR N N 120.498 0.400 1 64 29 12 THR H H 8.473 0.020 1 65 29 12 THR HG2 H 1.256 0.020 1 66 29 12 THR C C 178.200 0.400 1 67 29 12 THR CA C 68.050 0.400 1 68 29 12 THR CG2 C 23.119 0.400 1 69 29 12 THR N N 118.790 0.400 1 70 30 13 GLY H H 9.093 0.020 1 71 30 13 GLY C C 177.051 0.400 1 72 30 13 GLY CA C 48.920 0.400 1 73 30 13 GLY N N 114.583 0.400 1 74 31 14 VAL H H 8.587 0.020 1 75 31 14 VAL HA H 3.924 0.020 1 76 31 14 VAL HB H 2.289 0.020 1 77 31 14 VAL HG1 H 0.980 0.020 2 78 31 14 VAL HG2 H 1.198 0.020 2 79 31 14 VAL C C 178.526 0.400 1 80 31 14 VAL CA C 66.861 0.400 1 81 31 14 VAL CB C 31.570 0.400 1 82 31 14 VAL CG1 C 21.656 0.400 1 83 31 14 VAL CG2 C 23.294 0.400 1 84 31 14 VAL N N 122.732 0.400 1 85 32 15 SER H H 8.601 0.020 1 86 32 15 SER HA H 4.033 0.020 1 87 32 15 SER C C 175.788 0.400 1 88 32 15 SER CA C 63.180 0.400 1 89 32 15 SER N N 116.638 0.400 1 90 33 16 PHE H H 7.895 0.020 1 91 33 16 PHE HA H 4.395 0.020 1 92 33 16 PHE C C 179.428 0.400 1 93 33 16 PHE CA C 63.727 0.400 1 94 33 16 PHE CB C 39.928 0.400 1 95 33 16 PHE N N 120.585 0.400 1 96 34 17 TRP H H 8.030 0.020 1 97 34 17 TRP HA H 3.966 0.020 1 98 34 17 TRP HD1 H 7.299 0.020 1 99 34 17 TRP HE3 H 7.441 0.020 1 100 34 17 TRP HZ2 H 7.465 0.020 1 101 34 17 TRP HZ3 H 6.926 0.020 1 102 34 17 TRP HH2 H 7.085 0.020 1 103 34 17 TRP C C 177.411 0.400 1 104 34 17 TRP CA C 62.304 0.400 1 105 34 17 TRP CB C 30.230 0.400 1 106 34 17 TRP CD1 C 127.449 0.400 1 107 34 17 TRP CE3 C 120.229 0.400 1 108 34 17 TRP CZ2 C 114.608 0.400 1 109 34 17 TRP CZ3 C 121.032 0.400 1 110 34 17 TRP CH2 C 123.918 0.400 1 111 34 17 TRP N N 122.338 0.400 1 112 34 17 TRP NE1 N 129.300 0.400 1 113 35 18 LEU H H 8.809 0.020 1 114 35 18 LEU HA H 3.997 0.020 1 115 35 18 LEU C C 178.538 0.400 1 116 35 18 LEU CA C 58.529 0.400 1 117 35 18 LEU CB C 42.885 0.400 1 118 35 18 LEU N N 117.856 0.400 1 119 36 19 VAL H H 8.261 0.020 1 120 36 19 VAL HA H 3.503 0.020 1 121 36 19 VAL HG1 H 0.850 0.020 2 122 36 19 VAL HG2 H 1.015 0.020 2 123 36 19 VAL C C 177.159 0.400 1 124 36 19 VAL CA C 68.290 0.400 1 125 36 19 VAL CB C 31.830 0.400 1 126 36 19 VAL CG1 C 23.216 0.400 1 127 36 19 VAL CG2 C 23.883 0.400 1 128 36 19 VAL N N 116.958 0.400 1 129 37 20 THR H H 7.675 0.020 1 130 37 20 THR HA H 3.724 0.020 1 131 37 20 THR HB H 4.356 0.020 1 132 37 20 THR HG2 H 1.329 0.020 1 133 37 20 THR C C 176.177 0.400 1 134 37 20 THR CA C 69.499 0.400 1 135 37 20 THR CB C 68.285 0.400 1 136 37 20 THR CG2 C 22.525 0.400 1 137 37 20 THR N N 116.881 0.400 1 138 38 21 ALA H H 8.122 0.020 1 139 38 21 ALA HA H 3.895 0.020 1 140 38 21 ALA C C 178.897 0.400 1 141 38 21 ALA CA C 55.541 0.400 1 142 38 21 ALA CB C 18.000 0.400 1 143 38 21 ALA N N 121.647 0.400 1 144 39 22 ALA H H 8.469 0.020 1 145 39 22 ALA HA H 3.947 0.020 1 146 39 22 ALA HB H 1.757 0.020 1 147 39 22 ALA C C 180.558 0.400 1 148 39 22 ALA CA C 55.166 0.400 1 149 39 22 ALA CB C 18.651 0.400 1 150 39 22 ALA N N 118.547 0.400 1 151 40 23 LEU H H 9.065 0.020 1 152 40 23 LEU HA H 3.723 0.020 1 153 40 23 LEU HD1 H 0.828 0.020 1 154 40 23 LEU C C 179.980 0.400 1 155 40 23 LEU CA C 58.071 0.400 1 156 40 23 LEU CB C 41.805 0.400 1 157 40 23 LEU CD1 C 26.285 0.400 1 158 40 23 LEU N N 122.396 0.400 1 159 41 24 LEU H H 8.025 0.020 1 160 41 24 LEU HA H 3.535 0.020 1 161 41 24 LEU HB2 H 1.781 0.020 1 162 41 24 LEU HB3 H 1.781 0.020 1 163 41 24 LEU HD1 H 0.251 0.020 2 164 41 24 LEU HD2 H 0.633 0.020 2 165 41 24 LEU C C 177.535 0.400 1 166 41 24 LEU CA C 58.609 0.400 1 167 41 24 LEU CB C 39.959 0.400 1 168 41 24 LEU CD1 C 21.427 0.400 1 169 41 24 LEU CD2 C 25.206 0.400 1 170 41 24 LEU N N 124.001 0.400 1 171 42 25 ALA H H 8.100 0.020 1 172 42 25 ALA HA H 3.733 0.020 1 173 42 25 ALA HB H 1.282 0.020 1 174 42 25 ALA C C 178.816 0.400 1 175 42 25 ALA CA C 55.419 0.400 1 176 42 25 ALA CB C 18.054 0.400 1 177 42 25 ALA N N 118.613 0.400 1 178 43 26 SER H H 8.341 0.020 1 179 43 26 SER HA H 3.599 0.020 1 180 43 26 SER C C 173.750 0.400 1 181 43 26 SER CA C 62.521 0.400 1 182 43 26 SER N N 111.188 0.400 1 183 44 27 THR H H 7.684 0.020 1 184 44 27 THR HA H 3.923 0.020 1 185 44 27 THR HB H 4.353 0.020 1 186 44 27 THR HG2 H 1.269 0.020 1 187 44 27 THR C C 175.360 0.400 1 188 44 27 THR CA C 68.308 0.400 1 189 44 27 THR CB C 68.816 0.400 1 190 44 27 THR CG2 C 20.602 0.400 1 191 44 27 THR N N 119.005 0.400 1 192 45 28 VAL H H 7.357 0.020 1 193 45 28 VAL HA H 3.515 0.020 1 194 45 28 VAL HG1 H 0.921 0.020 2 195 45 28 VAL HG2 H 0.927 0.020 2 196 45 28 VAL C C 176.402 0.400 1 197 45 28 VAL CA C 67.291 0.400 1 198 45 28 VAL CB C 31.750 0.400 1 199 45 28 VAL CG1 C 22.122 0.400 1 200 45 28 VAL CG2 C 21.796 0.400 1 201 45 28 VAL N N 118.012 0.400 1 202 46 29 PHE H H 7.955 0.020 1 203 46 29 PHE HA H 2.882 0.020 1 204 46 29 PHE C C 176.635 0.400 1 205 46 29 PHE CA C 62.266 0.400 1 206 46 29 PHE CB C 37.758 0.400 1 207 46 29 PHE N N 118.263 0.400 1 208 47 30 PHE H H 8.746 0.020 1 209 47 30 PHE HA H 4.123 0.020 1 210 47 30 PHE HB2 H 3.321 0.020 1 211 47 30 PHE HB3 H 3.321 0.020 1 212 47 30 PHE C C 177.813 0.400 1 213 47 30 PHE CA C 60.849 0.400 1 214 47 30 PHE CB C 37.442 0.400 1 215 47 30 PHE N N 116.699 0.400 1 216 48 31 PHE H H 7.954 0.020 1 217 48 31 PHE HA H 4.300 0.020 1 218 48 31 PHE HB2 H 3.184 0.020 1 219 48 31 PHE HB3 H 3.184 0.020 1 220 48 31 PHE C C 178.400 0.400 1 221 48 31 PHE CA C 61.982 0.400 1 222 48 31 PHE CB C 38.789 0.400 1 223 48 31 PHE N N 114.747 0.400 1 224 49 32 VAL H H 8.453 0.020 1 225 49 32 VAL HA H 3.947 0.020 1 226 49 32 VAL HB H 2.166 0.020 1 227 49 32 VAL HG1 H 0.955 0.020 2 228 49 32 VAL HG2 H 1.108 0.020 2 229 49 32 VAL C C 179.061 0.400 1 230 49 32 VAL CA C 65.888 0.400 1 231 49 32 VAL CB C 31.978 0.400 1 232 49 32 VAL CG1 C 21.346 0.400 1 233 49 32 VAL CG2 C 22.797 0.400 1 234 49 32 VAL N N 119.506 0.400 1 235 50 33 GLU H H 8.368 0.020 1 236 50 33 GLU HA H 3.956 0.020 1 237 50 33 GLU C C 178.483 0.400 1 238 50 33 GLU CA C 57.926 0.400 1 239 50 33 GLU CB C 29.640 0.400 1 240 50 33 GLU N N 117.429 0.400 1 241 51 34 ARG H H 7.708 0.020 1 242 51 34 ARG HA H 4.016 0.020 1 243 51 34 ARG HB2 H 1.921 0.020 1 244 51 34 ARG HB3 H 1.921 0.020 1 245 51 34 ARG C C 175.732 0.400 1 246 51 34 ARG CA C 59.407 0.400 1 247 51 34 ARG CB C 29.711 0.400 1 248 51 34 ARG N N 118.382 0.400 1 249 52 35 ASP H H 7.099 0.020 1 250 52 35 ASP HA H 4.804 0.020 1 251 52 35 ASP HB2 H 2.664 0.020 1 252 52 35 ASP HB3 H 2.664 0.020 1 253 52 35 ASP C C 176.489 0.400 1 254 52 35 ASP CA C 55.535 0.400 1 255 52 35 ASP CB C 41.549 0.400 1 256 52 35 ASP N N 114.989 0.400 1 257 53 36 ARG H H 7.864 0.020 1 258 53 36 ARG HA H 4.504 0.020 1 259 53 36 ARG HB2 H 2.090 0.020 1 260 53 36 ARG HB3 H 2.090 0.020 1 261 53 36 ARG C C 176.273 0.400 1 262 53 36 ARG CA C 56.204 0.400 1 263 53 36 ARG CB C 31.346 0.400 1 264 53 36 ARG N N 117.488 0.400 1 265 54 37 VAL H H 6.937 0.020 1 266 54 37 VAL HA H 4.679 0.020 1 267 54 37 VAL HB H 2.247 0.020 1 268 54 37 VAL HG1 H 0.839 0.020 2 269 54 37 VAL HG2 H 1.015 0.020 2 270 54 37 VAL C C 175.131 0.400 1 271 54 37 VAL CA C 59.283 0.400 1 272 54 37 VAL CB C 34.679 0.400 1 273 54 37 VAL CG1 C 21.473 0.400 1 274 54 37 VAL CG2 C 17.916 0.400 1 275 54 37 VAL N N 109.778 0.400 1 276 55 38 SER H H 8.584 0.020 1 277 55 38 SER C C 175.138 0.400 1 278 55 38 SER CA C 58.410 0.400 1 279 55 38 SER CB C 64.660 0.400 1 280 55 38 SER N N 114.565 0.400 1 281 56 39 ALA H H 8.791 0.020 1 282 56 39 ALA HA H 4.099 0.020 1 283 56 39 ALA HB H 1.373 0.020 1 284 56 39 ALA C C 179.596 0.400 1 285 56 39 ALA CA C 55.888 0.400 1 286 56 39 ALA CB C 19.189 0.400 1 287 56 39 ALA N N 124.091 0.400 1 288 57 40 LYS H H 8.066 0.020 1 289 57 40 LYS HA H 3.963 0.020 1 290 57 40 LYS C C 177.912 0.400 1 291 57 40 LYS CA C 58.543 0.400 1 292 57 40 LYS CB C 32.390 0.400 1 293 57 40 LYS N N 116.124 0.400 1 294 58 41 TRP H H 7.722 0.020 1 295 58 41 TRP HA H 4.724 0.020 1 296 58 41 TRP HD1 H 7.256 0.020 1 297 58 41 TRP HE3 H 7.543 0.020 1 298 58 41 TRP HZ2 H 7.315 0.020 1 299 58 41 TRP HZ3 H 6.939 0.020 1 300 58 41 TRP HH2 H 6.995 0.020 1 301 58 41 TRP C C 176.758 0.400 1 302 58 41 TRP CA C 57.264 0.400 1 303 58 41 TRP CB C 32.001 0.400 1 304 58 41 TRP CD1 C 127.420 0.400 1 305 58 41 TRP CE3 C 120.082 0.400 1 306 58 41 TRP CZ2 C 114.464 0.400 1 307 58 41 TRP CZ3 C 121.412 0.400 1 308 58 41 TRP CH2 C 124.087 0.400 1 309 58 41 TRP N N 117.409 0.400 1 310 58 41 TRP NE1 N 129.300 0.400 1 311 59 42 LYS H H 7.767 0.020 1 312 59 42 LYS HA H 3.867 0.020 1 313 59 42 LYS HB2 H 1.962 0.020 1 314 59 42 LYS HB3 H 1.962 0.020 1 315 59 42 LYS C C 179.712 0.400 1 316 59 42 LYS CA C 61.522 0.400 1 317 59 42 LYS CB C 33.077 0.400 1 318 59 42 LYS N N 122.122 0.400 1 319 60 43 THR H H 8.584 0.020 1 320 60 43 THR HA H 3.928 0.020 1 321 60 43 THR C C 176.206 0.400 1 322 60 43 THR CA C 67.391 0.400 1 323 60 43 THR CB C 62.780 0.400 1 324 60 43 THR N N 116.694 0.400 1 325 61 44 SER H H 8.244 0.020 1 326 61 44 SER C C 174.067 0.400 1 327 61 44 SER CA C 63.340 0.400 1 328 61 44 SER CB C 62.930 0.400 1 329 61 44 SER N N 118.426 0.400 1 330 62 45 LEU H H 7.896 0.020 1 331 62 45 LEU HA H 4.096 0.020 1 332 62 45 LEU HG H 1.934 0.020 1 333 62 45 LEU HD1 H 1.077 0.020 2 334 62 45 LEU HD2 H 1.004 0.020 2 335 62 45 LEU C C 178.273 0.400 1 336 62 45 LEU CA C 57.876 0.400 1 337 62 45 LEU CB C 41.380 0.400 1 338 62 45 LEU CG C 28.964 0.400 1 339 62 45 LEU CD1 C 26.130 0.400 1 340 62 45 LEU CD2 C 24.317 0.400 1 341 62 45 LEU N N 123.718 0.400 1 342 63 46 THR H H 8.090 0.020 1 343 63 46 THR HA H 3.673 0.020 1 344 63 46 THR HG2 H 1.298 0.020 1 345 63 46 THR C C 175.931 0.400 1 346 63 46 THR CA C 67.758 0.400 1 347 63 46 THR CG2 C 21.423 0.400 1 348 63 46 THR N N 116.733 0.400 1 349 64 47 VAL H H 8.360 0.020 1 350 64 47 VAL HA H 3.551 0.020 1 351 64 47 VAL HB H 2.244 0.020 1 352 64 47 VAL HG1 H 0.594 0.020 2 353 64 47 VAL HG2 H 1.010 0.020 2 354 64 47 VAL C C 177.189 0.400 1 355 64 47 VAL CA C 67.874 0.400 1 356 64 47 VAL CB C 31.481 0.400 1 357 64 47 VAL CG1 C 20.941 0.400 1 358 64 47 VAL CG2 C 24.088 0.400 1 359 64 47 VAL N N 120.331 0.400 1 360 65 48 SER H H 7.979 0.020 1 361 65 48 SER HA H 4.089 0.020 1 362 65 48 SER HB2 H 3.478 0.020 1 363 65 48 SER HB3 H 3.478 0.020 1 364 65 48 SER C C 176.144 0.400 1 365 65 48 SER CA C 63.672 0.400 1 366 65 48 SER CB C 62.735 0.400 1 367 65 48 SER N N 115.856 0.400 1 368 66 49 GLY H H 7.790 0.020 1 369 66 49 GLY C C 175.403 0.400 1 370 66 49 GLY CA C 47.100 0.400 1 371 66 49 GLY N N 105.894 0.400 1 372 67 50 LEU H H 8.431 0.020 1 373 67 50 LEU HA H 4.354 0.020 1 374 67 50 LEU HD1 H 0.975 0.020 1 375 67 50 LEU C C 178.407 0.400 1 376 67 50 LEU CA C 58.336 0.400 1 377 67 50 LEU CB C 42.560 0.400 1 378 67 50 LEU CD1 C 25.177 0.400 1 379 67 50 LEU N N 123.482 0.400 1 380 68 51 VAL H H 8.511 0.020 1 381 68 51 VAL HA H 3.584 0.020 1 382 68 51 VAL HG1 H 1.073 0.020 2 383 68 51 VAL HG2 H 1.213 0.020 2 384 68 51 VAL C C 177.961 0.400 1 385 68 51 VAL CA C 68.136 0.400 1 386 68 51 VAL CB C 31.780 0.400 1 387 68 51 VAL CG1 C 21.889 0.400 1 388 68 51 VAL CG2 C 25.098 0.400 1 389 68 51 VAL N N 117.894 0.400 1 390 69 52 THR H H 8.194 0.020 1 391 69 52 THR HA H 4.133 0.020 1 392 69 52 THR HG2 H 1.410 0.020 1 393 69 52 THR C C 177.261 0.400 1 394 69 52 THR CA C 66.173 0.400 1 395 69 52 THR CB C 72.260 0.400 1 396 69 52 THR CG2 C 22.884 0.400 1 397 69 52 THR N N 107.470 0.400 1 398 70 53 GLY H H 8.787 0.020 1 399 70 53 GLY C C 175.232 0.400 1 400 70 53 GLY CA C 48.270 0.400 1 401 70 53 GLY N N 114.824 0.400 1 402 71 54 ILE H H 8.704 0.020 1 403 71 54 ILE HG2 H 1.003 0.020 1 404 71 54 ILE HD1 H 0.851 0.020 1 405 71 54 ILE CA C 65.920 0.400 1 406 71 54 ILE CG2 C 17.895 0.400 1 407 71 54 ILE CD1 C 14.037 0.400 1 408 71 54 ILE N N 122.340 0.400 1 409 72 55 ALA H H 7.831 0.020 1 410 72 55 ALA HA H 5.088 0.020 1 411 72 55 ALA C C 179.652 0.400 1 412 72 55 ALA CA C 55.284 0.400 1 413 72 55 ALA N N 119.465 0.400 1 414 73 56 PHE H H 9.055 0.020 1 415 73 56 PHE C C 175.100 0.400 1 416 73 56 PHE CA C 61.940 0.400 1 417 73 56 PHE N N 120.530 0.400 1 418 74 57 TRP H H 7.875 0.020 1 419 74 57 TRP C C 178.200 0.400 1 420 74 57 TRP CA C 59.930 0.400 1 421 74 57 TRP N N 120.399 0.400 1 422 75 58 HIS H H 8.251 0.020 1 423 75 58 HIS CA C 59.530 0.400 1 424 75 58 HIS N N 114.172 0.400 1 425 78 61 TYR HA H 3.990 0.020 1 426 78 61 TYR C C 178.968 0.400 1 427 78 61 TYR CA C 64.217 0.400 1 428 79 62 MET H H 7.750 0.020 1 429 79 62 MET N N 117.378 0.400 1 430 80 63 ARG HA H 3.061 0.020 1 431 80 63 ARG C C 177.216 0.400 1 432 80 63 ARG CA C 59.283 0.400 1 433 80 63 ARG CB C 29.873 0.400 1 434 81 64 GLY H H 7.161 0.020 1 435 81 64 GLY C C 175.520 0.400 1 436 81 64 GLY CA C 47.370 0.400 1 437 81 64 GLY N N 104.370 0.400 1 438 82 65 VAL H H 7.760 0.020 1 439 82 65 VAL HA H 3.806 0.020 1 440 82 65 VAL HG1 H 0.968 0.020 2 441 82 65 VAL HG2 H 1.104 0.020 2 442 82 65 VAL C C 179.262 0.400 1 443 82 65 VAL CA C 66.342 0.400 1 444 82 65 VAL CB C 32.595 0.400 1 445 82 65 VAL CG1 C 21.516 0.400 1 446 82 65 VAL CG2 C 22.975 0.400 1 447 82 65 VAL N N 120.990 0.400 1 448 83 66 TRP H H 8.214 0.020 1 449 83 66 TRP HA H 4.334 0.020 1 450 83 66 TRP HD1 H 6.954 0.020 1 451 83 66 TRP HE3 H 7.419 0.020 1 452 83 66 TRP HZ2 H 7.512 0.020 1 453 83 66 TRP HZ3 H 6.810 0.020 1 454 83 66 TRP HH2 H 7.023 0.020 1 455 83 66 TRP C C 178.793 0.400 1 456 83 66 TRP CA C 60.809 0.400 1 457 83 66 TRP CB C 29.700 0.400 1 458 83 66 TRP CD1 C 125.798 0.400 1 459 83 66 TRP CE3 C 120.421 0.400 1 460 83 66 TRP CZ2 C 114.444 0.400 1 461 83 66 TRP CZ3 C 121.793 0.400 1 462 83 66 TRP CH2 C 124.041 0.400 1 463 83 66 TRP N N 123.010 0.400 1 464 83 66 TRP NE1 N 129.400 0.400 1 465 84 67 ILE H H 8.320 0.020 1 466 84 67 ILE HA H 3.655 0.020 1 467 84 67 ILE HG2 H 1.003 0.020 1 468 84 67 ILE HD1 H 0.939 0.020 1 469 84 67 ILE C C 177.669 0.400 1 470 84 67 ILE CA C 63.920 0.400 1 471 84 67 ILE CB C 38.097 0.400 1 472 84 67 ILE CG2 C 17.617 0.400 1 473 84 67 ILE CD1 C 13.325 0.400 1 474 84 67 ILE N N 116.823 0.400 1 475 85 68 GLU H H 7.938 0.020 1 476 85 68 GLU C C 178.200 0.400 1 477 85 68 GLU CA C 58.740 0.400 1 478 85 68 GLU CB C 30.380 0.400 1 479 85 68 GLU N N 117.508 0.400 1 480 86 69 THR H H 7.971 0.020 1 481 86 69 THR HA H 4.545 0.020 1 482 86 69 THR HG2 H 1.261 0.020 1 483 86 69 THR C C 175.619 0.400 1 484 86 69 THR CA C 62.072 0.400 1 485 86 69 THR CB C 72.453 0.400 1 486 86 69 THR CG2 C 21.563 0.400 1 487 86 69 THR N N 105.302 0.400 1 488 87 70 GLY H H 7.915 0.020 1 489 87 70 GLY C C 172.158 0.400 1 490 87 70 GLY CA C 45.655 0.400 1 491 87 70 GLY N N 111.590 0.400 1 492 88 71 ASP H H 7.684 0.020 1 493 88 71 ASP HA H 4.892 0.020 1 494 88 71 ASP C C 174.884 0.400 1 495 88 71 ASP CA C 51.956 0.400 1 496 88 71 ASP CB C 42.173 0.400 1 497 88 71 ASP N N 118.129 0.400 1 498 89 72 SER H H 8.520 0.020 1 499 89 72 SER CA C 57.190 0.400 1 500 89 72 SER CB C 63.710 0.400 1 501 89 72 SER N N 114.120 0.400 1 502 90 73 PRO HA H 4.211 0.020 1 503 90 73 PRO HB2 H 2.926 0.020 1 504 90 73 PRO HB3 H 2.926 0.020 1 505 90 73 PRO C C 176.298 0.400 1 506 90 73 PRO CA C 63.964 0.400 1 507 90 73 PRO CB C 26.334 0.400 1 508 91 74 THR H H 8.251 0.020 1 509 91 74 THR HA H 3.928 0.020 1 510 91 74 THR HG2 H 1.252 0.020 1 511 91 74 THR C C 175.496 0.400 1 512 91 74 THR CA C 66.818 0.400 1 513 91 74 THR CB C 69.527 0.400 1 514 91 74 THR CG2 C 23.220 0.400 1 515 91 74 THR N N 119.882 0.400 1 516 92 75 VAL H H 8.420 0.020 1 517 92 75 VAL HA H 3.648 0.020 1 518 92 75 VAL HB H 1.847 0.020 1 519 92 75 VAL HG1 H 0.550 0.020 2 520 92 75 VAL HG2 H 1.003 0.020 2 521 92 75 VAL C C 176.659 0.400 1 522 92 75 VAL CA C 67.701 0.400 1 523 92 75 VAL CB C 31.450 0.400 1 524 92 75 VAL CG1 C 20.833 0.400 1 525 92 75 VAL CG2 C 23.099 0.400 1 526 92 75 VAL N N 119.082 0.400 1 527 93 76 PHE H H 7.115 0.020 1 528 93 76 PHE HA H 3.985 0.020 1 529 93 76 PHE C C 176.999 0.400 1 530 93 76 PHE CA C 61.280 0.400 1 531 93 76 PHE CB C 40.060 0.400 1 532 93 76 PHE N N 115.915 0.400 1 533 94 77 ARG H H 8.321 0.020 1 534 94 77 ARG HA H 3.433 0.020 1 535 94 77 ARG C C 176.627 0.400 1 536 94 77 ARG CA C 58.673 0.400 1 537 94 77 ARG CB C 28.532 0.400 1 538 94 77 ARG N N 120.203 0.400 1 539 95 78 TYR H H 7.960 0.020 1 540 95 78 TYR HA H 3.705 0.020 1 541 95 78 TYR C C 179.060 0.400 1 542 95 78 TYR CA C 64.071 0.400 1 543 95 78 TYR CB C 38.563 0.400 1 544 95 78 TYR N N 114.279 0.400 1 545 96 79 ILE H H 8.325 0.020 1 546 96 79 ILE HG2 H 0.656 0.020 1 547 96 79 ILE HD1 H 0.563 0.020 1 548 96 79 ILE CA C 65.542 0.400 1 549 96 79 ILE CG2 C 17.245 0.400 1 550 96 79 ILE CD1 C 13.364 0.400 1 551 96 79 ILE N N 119.805 0.400 1 552 97 80 ASP H H 7.676 0.020 1 553 97 80 ASP N N 116.003 0.400 1 554 98 81 TRP HA H 4.373 0.020 1 555 98 81 TRP C C 177.043 0.400 1 556 98 81 TRP CA C 58.181 0.400 1 557 99 82 LEU H H 8.867 0.020 1 558 99 82 LEU HA H 3.800 0.020 1 559 99 82 LEU HG H 1.588 0.020 1 560 99 82 LEU HD1 H 0.884 0.020 2 561 99 82 LEU HD2 H 0.784 0.020 2 562 99 82 LEU C C 174.914 0.400 1 563 99 82 LEU CA C 58.068 0.400 1 564 99 82 LEU CB C 41.998 0.400 1 565 99 82 LEU CG C 27.097 0.400 1 566 99 82 LEU CD1 C 25.086 0.400 1 567 99 82 LEU CD2 C 24.117 0.400 1 568 99 82 LEU N N 120.536 0.400 1 569 100 83 LEU H H 7.154 0.020 1 570 100 83 LEU HA H 4.496 0.020 1 571 100 83 LEU HG H 2.038 0.020 1 572 100 83 LEU HD1 H 1.024 0.020 2 573 100 83 LEU HD2 H 0.901 0.020 2 574 100 83 LEU C C 178.137 0.400 1 575 100 83 LEU CA C 56.106 0.400 1 576 100 83 LEU CB C 43.973 0.400 1 577 100 83 LEU CG C 27.514 0.400 1 578 100 83 LEU CD1 C 25.956 0.400 1 579 100 83 LEU CD2 C 23.274 0.400 1 580 100 83 LEU N N 109.425 0.400 1 581 101 84 THR H H 8.321 0.020 1 582 101 84 THR HA H 4.342 0.020 1 583 101 84 THR HG2 H 1.584 0.020 1 584 101 84 THR C C 177.538 0.400 1 585 101 84 THR CA C 65.218 0.400 1 586 101 84 THR CB C 71.195 0.400 1 587 101 84 THR CG2 C 23.353 0.400 1 588 101 84 THR N N 105.330 0.400 1 589 102 85 VAL H H 9.099 0.020 1 590 102 85 VAL HA H 3.749 0.020 1 591 102 85 VAL HG1 H 0.759 0.020 2 592 102 85 VAL HG2 H 0.151 0.020 2 593 102 85 VAL C C 175.767 0.400 1 594 102 85 VAL CA C 69.562 0.400 1 595 102 85 VAL CB C 28.138 0.400 1 596 102 85 VAL CG1 C 21.439 0.400 1 597 102 85 VAL CG2 C 24.548 0.400 1 598 102 85 VAL N N 124.266 0.400 1 599 103 86 PRO HA H 4.141 0.020 1 600 103 86 PRO HB2 H 2.267 0.020 1 601 103 86 PRO HB3 H 2.267 0.020 1 602 103 86 PRO C C 178.506 0.400 1 603 103 86 PRO CA C 66.553 0.400 1 604 103 86 PRO CB C 31.511 0.400 1 605 104 87 LEU H H 6.672 0.020 1 606 104 87 LEU HA H 4.114 0.020 1 607 104 87 LEU HG H 2.013 0.020 1 608 104 87 LEU HD1 H 0.927 0.020 2 609 104 87 LEU HD2 H 0.848 0.020 2 610 104 87 LEU C C 178.366 0.400 1 611 104 87 LEU CA C 58.148 0.400 1 612 104 87 LEU CB C 42.488 0.400 1 613 104 87 LEU CG C 27.067 0.400 1 614 104 87 LEU CD1 C 26.043 0.400 1 615 104 87 LEU CD2 C 22.804 0.400 1 616 104 87 LEU N N 114.483 0.400 1 617 105 88 LEU H H 8.192 0.020 1 618 105 88 LEU HA H 4.071 0.020 1 619 105 88 LEU HD1 H 1.076 0.020 2 620 105 88 LEU HD2 H 1.094 0.020 2 621 105 88 LEU C C 178.883 0.400 1 622 105 88 LEU CA C 58.406 0.400 1 623 105 88 LEU CB C 41.912 0.400 1 624 105 88 LEU CD1 C 26.821 0.400 1 625 105 88 LEU CD2 C 23.942 0.400 1 626 105 88 LEU N N 120.950 0.400 1 627 106 89 ILE H H 8.276 0.020 1 628 106 89 ILE N N 117.664 0.400 1 629 108 91 GLU HA H 4.184 0.020 1 630 108 91 GLU C C 178.047 0.400 1 631 108 91 GLU CA C 59.838 0.400 1 632 108 91 GLU CB C 28.194 0.400 1 633 109 92 PHE H H 8.268 0.020 1 634 109 92 PHE N N 116.980 0.400 1 635 110 93 TYR HA H 3.636 0.020 1 636 110 93 TYR C C 176.030 0.400 1 637 110 93 TYR CA C 62.098 0.400 1 638 110 93 TYR CB C 37.982 0.400 1 639 111 94 LEU H H 8.401 0.020 1 640 111 94 LEU C C 176.841 0.400 1 641 111 94 LEU CA C 58.190 0.400 1 642 111 94 LEU CB C 41.950 0.400 1 643 111 94 LEU N N 117.989 0.400 1 644 112 95 ILE H H 7.970 0.020 1 645 112 95 ILE N N 117.576 0.400 1 646 113 96 LEU HA H 4.035 0.020 1 647 113 96 LEU HB2 H 1.772 0.020 1 648 113 96 LEU HB3 H 1.772 0.020 1 649 113 96 LEU HD1 H 0.964 0.020 1 650 113 96 LEU C C 179.033 0.400 1 651 113 96 LEU CA C 57.669 0.400 1 652 113 96 LEU CB C 42.193 0.400 1 653 113 96 LEU CD1 C 25.375 0.400 1 654 114 97 ALA H H 8.744 0.020 1 655 114 97 ALA HA H 4.193 0.020 1 656 114 97 ALA HB H 0.927 0.020 1 657 114 97 ALA C C 178.661 0.400 1 658 114 97 ALA CA C 53.918 0.400 1 659 114 97 ALA CB C 17.569 0.400 1 660 114 97 ALA N N 121.207 0.400 1 661 115 98 ALA H H 7.257 0.020 1 662 115 98 ALA HA H 4.124 0.020 1 663 115 98 ALA HB H 1.280 0.020 1 664 115 98 ALA C C 178.047 0.400 1 665 115 98 ALA CA C 53.248 0.400 1 666 115 98 ALA CB C 18.281 0.400 1 667 115 98 ALA N N 118.008 0.400 1 668 116 99 ALA H H 7.697 0.020 1 669 116 99 ALA HA H 4.476 0.020 1 670 116 99 ALA HB H 1.436 0.020 1 671 116 99 ALA C C 176.916 0.400 1 672 116 99 ALA CA C 52.642 0.400 1 673 116 99 ALA CB C 21.454 0.400 1 674 116 99 ALA N N 118.812 0.400 1 675 117 100 THR H H 8.117 0.020 1 676 117 100 THR HA H 4.633 0.020 1 677 117 100 THR HG2 H 1.102 0.020 1 678 117 100 THR C C 172.531 0.400 1 679 117 100 THR CA C 60.308 0.400 1 680 117 100 THR CB C 70.219 0.400 1 681 117 100 THR CG2 C 20.001 0.400 1 682 117 100 THR N N 111.906 0.400 1 683 118 101 ASN H H 8.180 0.020 1 684 118 101 ASN HA H 4.905 0.020 1 685 118 101 ASN HB2 H 2.841 0.020 1 686 118 101 ASN HB3 H 2.841 0.020 1 687 118 101 ASN C C 175.430 0.400 1 688 118 101 ASN CA C 53.385 0.400 1 689 118 101 ASN CB C 38.644 0.400 1 690 118 101 ASN N N 119.741 0.400 1 691 119 102 VAL H H 7.951 0.020 1 692 119 102 VAL HA H 4.384 0.020 1 693 119 102 VAL HB H 2.106 0.020 1 694 119 102 VAL HG1 H 0.949 0.020 2 695 119 102 VAL HG2 H 0.941 0.020 2 696 119 102 VAL C C 174.726 0.400 1 697 119 102 VAL CA C 61.316 0.400 1 698 119 102 VAL CB C 33.322 0.400 1 699 119 102 VAL CG1 C 21.221 0.400 1 700 119 102 VAL CG2 C 20.872 0.400 1 701 119 102 VAL N N 119.868 0.400 1 702 120 103 ALA H H 8.320 0.020 1 703 120 103 ALA HA H 4.462 0.020 1 704 120 103 ALA HB H 1.551 0.020 1 705 120 103 ALA C C 178.823 0.400 1 706 120 103 ALA CA C 53.016 0.400 1 707 120 103 ALA CB C 19.819 0.400 1 708 120 103 ALA N N 127.489 0.400 1 709 121 104 GLY H H 8.776 0.020 1 710 121 104 GLY C C 175.771 0.400 1 711 121 104 GLY CA C 47.440 0.400 1 712 121 104 GLY N N 108.418 0.400 1 713 122 105 SER H H 8.133 0.020 1 714 122 105 SER HA H 4.250 0.020 1 715 122 105 SER HB2 H 4.034 0.020 1 716 122 105 SER HB3 H 4.034 0.020 1 717 122 105 SER C C 176.671 0.400 1 718 122 105 SER CA C 60.822 0.400 1 719 122 105 SER CB C 62.487 0.400 1 720 122 105 SER N N 115.168 0.400 1 721 123 106 LEU H H 7.690 0.020 1 722 123 106 LEU HA H 4.025 0.020 1 723 123 106 LEU HG H 2.025 0.020 1 724 123 106 LEU HD1 H 0.728 0.020 2 725 123 106 LEU HD2 H 0.617 0.020 2 726 123 106 LEU C C 177.623 0.400 1 727 123 106 LEU CA C 58.209 0.400 1 728 123 106 LEU CB C 42.130 0.400 1 729 123 106 LEU CG C 26.867 0.400 1 730 123 106 LEU CD1 C 25.913 0.400 1 731 123 106 LEU CD2 C 23.473 0.400 1 732 123 106 LEU N N 121.196 0.400 1 733 124 107 PHE H H 7.580 0.020 1 734 124 107 PHE HA H 3.961 0.020 1 735 124 107 PHE C C 176.728 0.400 1 736 124 107 PHE CA C 62.252 0.400 1 737 124 107 PHE CB C 37.997 0.400 1 738 124 107 PHE N N 116.007 0.400 1 739 125 108 LYS H H 7.916 0.020 1 740 125 108 LYS CA C 60.850 0.400 1 741 125 108 LYS N N 118.762 0.400 1 742 126 109 LYS HA H 4.064 0.020 1 743 126 109 LYS C C 179.211 0.400 1 744 126 109 LYS CA C 60.754 0.400 1 745 126 109 LYS CB C 32.750 0.400 1 746 127 110 LEU H H 8.081 0.020 1 747 127 110 LEU HA H 4.209 0.020 1 748 127 110 LEU HB2 H 1.389 0.020 1 749 127 110 LEU HB3 H 1.389 0.020 1 750 127 110 LEU HD1 H 0.706 0.020 1 751 127 110 LEU C C 179.186 0.400 1 752 127 110 LEU CA C 57.809 0.400 1 753 127 110 LEU CB C 42.298 0.400 1 754 127 110 LEU CD1 C 25.548 0.400 1 755 127 110 LEU N N 116.458 0.400 1 756 128 111 LEU H H 8.375 0.020 1 757 128 111 LEU HA H 4.072 0.020 1 758 128 111 LEU C C 178.855 0.400 1 759 128 111 LEU CA C 58.367 0.400 1 760 128 111 LEU CB C 42.153 0.400 1 761 128 111 LEU N N 120.131 0.400 1 762 129 112 VAL H H 8.381 0.020 1 763 129 112 VAL HA H 3.596 0.020 1 764 129 112 VAL HG1 H 0.961 0.020 2 765 129 112 VAL HG2 H 1.124 0.020 2 766 129 112 VAL C C 177.959 0.400 1 767 129 112 VAL CA C 67.826 0.400 1 768 129 112 VAL CB C 31.730 0.400 1 769 129 112 VAL CG1 C 21.912 0.400 1 770 129 112 VAL CG2 C 23.441 0.400 1 771 129 112 VAL N N 118.064 0.400 1 772 130 113 GLY H H 8.700 0.020 1 773 130 113 GLY C C 175.146 0.400 1 774 130 113 GLY CA C 48.150 0.400 1 775 130 113 GLY N N 105.892 0.400 1 776 131 114 SER H H 8.401 0.020 1 777 131 114 SER HA H 4.255 0.020 1 778 131 114 SER C C 175.560 0.400 1 779 131 114 SER CA C 63.134 0.400 1 780 131 114 SER N N 117.535 0.400 1 781 132 115 LEU H H 7.862 0.020 1 782 132 115 LEU HA H 4.143 0.020 1 783 132 115 LEU HD1 H 0.825 0.020 2 784 132 115 LEU HD2 H 0.835 0.020 2 785 132 115 LEU C C 178.476 0.400 1 786 132 115 LEU CA C 58.200 0.400 1 787 132 115 LEU CB C 42.050 0.400 1 788 132 115 LEU CD1 C 25.402 0.400 1 789 132 115 LEU CD2 C 23.400 0.400 1 790 132 115 LEU N N 122.645 0.400 1 791 133 116 VAL H H 8.134 0.020 1 792 133 116 VAL HA H 3.524 0.020 1 793 133 116 VAL HG2 H 1.089 0.020 1 794 133 116 VAL C C 176.887 0.400 1 795 133 116 VAL CA C 67.953 0.400 1 796 133 116 VAL CG2 C 23.448 0.400 1 797 133 116 VAL N N 118.554 0.400 1 798 134 117 MET H H 8.037 0.020 1 799 134 117 MET HA H 3.990 0.020 1 800 134 117 MET HE H 1.576 0.020 1 801 134 117 MET C C 176.718 0.400 1 802 134 117 MET CA C 59.908 0.400 1 803 134 117 MET CB C 35.442 0.400 1 804 134 117 MET CE C 15.970 0.400 1 805 134 117 MET N N 118.647 0.400 1 806 135 118 LEU H H 7.871 0.020 1 807 135 118 LEU HA H 4.288 0.020 1 808 135 118 LEU HD1 H 0.715 0.020 2 809 135 118 LEU HD2 H 0.701 0.020 2 810 135 118 LEU C C 178.875 0.400 1 811 135 118 LEU CA C 57.858 0.400 1 812 135 118 LEU CB C 43.416 0.400 1 813 135 118 LEU CD1 C 23.254 0.400 1 814 135 118 LEU CD2 C 25.691 0.400 1 815 135 118 LEU N N 114.284 0.400 1 816 136 119 VAL H H 8.598 0.020 1 817 136 119 VAL HA H 3.633 0.020 1 818 136 119 VAL HB H 2.149 0.020 1 819 136 119 VAL HG1 H 0.703 0.020 2 820 136 119 VAL HG2 H 0.992 0.020 2 821 136 119 VAL C C 177.791 0.400 1 822 136 119 VAL CA C 67.233 0.400 1 823 136 119 VAL CB C 31.419 0.400 1 824 136 119 VAL CG1 C 21.354 0.400 1 825 136 119 VAL CG2 C 23.386 0.400 1 826 136 119 VAL N N 117.549 0.400 1 827 137 120 PHE H H 8.111 0.020 1 828 137 120 PHE HA H 4.101 0.020 1 829 137 120 PHE HB2 H 2.853 0.020 1 830 137 120 PHE HB3 H 2.853 0.020 1 831 137 120 PHE C C 178.012 0.400 1 832 137 120 PHE CA C 64.179 0.400 1 833 137 120 PHE CB C 37.362 0.400 1 834 137 120 PHE N N 116.958 0.400 1 835 138 121 GLY H H 8.238 0.020 1 836 138 121 GLY C C 175.371 0.400 1 837 138 121 GLY CA C 49.240 0.400 1 838 138 121 GLY N N 106.199 0.400 1 839 139 122 TYR H H 8.418 0.020 1 840 139 122 TYR HA H 3.930 0.020 1 841 139 122 TYR HB2 H 3.190 0.020 1 842 139 122 TYR HB3 H 3.190 0.020 1 843 139 122 TYR C C 176.619 0.400 1 844 139 122 TYR CA C 62.200 0.400 1 845 139 122 TYR CB C 39.556 0.400 1 846 139 122 TYR N N 122.007 0.400 1 847 140 123 MET H H 8.024 0.020 1 848 140 123 MET HA H 3.507 0.020 1 849 140 123 MET HE H 1.404 0.020 1 850 140 123 MET C C 179.245 0.400 1 851 140 123 MET CA C 60.744 0.400 1 852 140 123 MET CB C 34.199 0.400 1 853 140 123 MET CE C 17.011 0.400 1 854 140 123 MET N N 114.587 0.400 1 855 141 124 GLY H H 8.043 0.020 1 856 141 124 GLY C C 176.143 0.400 1 857 141 124 GLY CA C 46.514 0.400 1 858 141 124 GLY N N 106.591 0.400 1 859 142 125 GLU H H 8.389 0.020 1 860 142 125 GLU HA H 3.223 0.020 1 861 142 125 GLU C C 178.649 0.400 1 862 142 125 GLU CA C 61.138 0.400 1 863 142 125 GLU CB C 30.070 0.400 1 864 142 125 GLU N N 122.107 0.400 1 865 143 126 ALA H H 8.540 0.020 1 866 143 126 ALA HA H 4.174 0.020 1 867 143 126 ALA HB H 0.727 0.020 1 868 143 126 ALA C C 178.234 0.400 1 869 143 126 ALA CA C 51.694 0.400 1 870 143 126 ALA CB C 18.695 0.400 1 871 143 126 ALA N N 117.992 0.400 1 872 144 127 GLY H H 7.246 0.020 1 873 144 127 GLY C C 174.738 0.400 1 874 144 127 GLY CA C 45.924 0.400 1 875 144 127 GLY N N 105.497 0.400 1 876 145 128 ILE H H 8.012 0.020 1 877 145 128 ILE HA H 3.740 0.020 1 878 145 128 ILE HB H 1.585 0.020 1 879 145 128 ILE HG2 H 0.925 0.020 1 880 145 128 ILE HD1 H 0.878 0.020 1 881 145 128 ILE C C 175.152 0.400 1 882 145 128 ILE CA C 63.312 0.400 1 883 145 128 ILE CB C 39.248 0.400 1 884 145 128 ILE CG2 C 17.733 0.400 1 885 145 128 ILE CD1 C 13.919 0.400 1 886 145 128 ILE N N 121.104 0.400 1 887 146 129 MET H H 7.345 0.020 1 888 146 129 MET HA H 4.602 0.020 1 889 146 129 MET HB2 H 1.851 0.020 1 890 146 129 MET HB3 H 1.851 0.020 1 891 146 129 MET HE H 2.151 0.020 1 892 146 129 MET C C 173.854 0.400 1 893 146 129 MET CA C 53.272 0.400 1 894 146 129 MET CB C 38.074 0.400 1 895 146 129 MET CE C 16.958 0.400 1 896 146 129 MET N N 115.427 0.400 1 897 147 130 ALA H H 8.522 0.020 1 898 147 130 ALA HA H 4.265 0.020 1 899 147 130 ALA HB H 1.632 0.020 1 900 147 130 ALA C C 177.501 0.400 1 901 147 130 ALA CA C 53.334 0.400 1 902 147 130 ALA CB C 18.528 0.400 1 903 147 130 ALA N N 124.527 0.400 1 904 148 131 ALA H H 8.252 0.020 1 905 148 131 ALA HA H 3.994 0.020 1 906 148 131 ALA HB H 1.373 0.020 1 907 148 131 ALA C C 181.789 0.400 1 908 148 131 ALA CA C 56.034 0.400 1 909 148 131 ALA CB C 18.951 0.400 1 910 148 131 ALA N N 123.538 0.400 1 911 149 132 TRP H H 9.400 0.020 1 912 149 132 TRP HD1 H 7.487 0.020 1 913 149 132 TRP HE3 H 7.812 0.020 1 914 149 132 TRP HZ2 H 7.660 0.020 1 915 149 132 TRP HZ3 H 7.242 0.020 1 916 149 132 TRP HH2 H 7.364 0.020 1 917 149 132 TRP CA C 62.400 0.400 1 918 149 132 TRP CB C 28.070 0.400 1 919 149 132 TRP CD1 C 127.313 0.400 1 920 149 132 TRP CE3 C 120.817 0.400 1 921 149 132 TRP CZ2 C 115.379 0.400 1 922 149 132 TRP CZ3 C 121.484 0.400 1 923 149 132 TRP CH2 C 124.207 0.400 1 924 149 132 TRP N N 118.163 0.400 1 925 149 132 TRP NE1 N 129.200 0.400 1 926 150 133 PRO HA H 4.243 0.020 1 927 150 133 PRO HB2 H 1.930 0.020 1 928 150 133 PRO HB3 H 1.930 0.020 1 929 150 133 PRO C C 177.359 0.400 1 930 150 133 PRO CA C 66.517 0.400 1 931 150 133 PRO CB C 30.714 0.400 1 932 151 134 ALA H H 7.407 0.020 1 933 151 134 ALA HA H 4.144 0.020 1 934 151 134 ALA HB H 1.674 0.020 1 935 151 134 ALA C C 178.386 0.400 1 936 151 134 ALA CA C 56.539 0.400 1 937 151 134 ALA CB C 18.519 0.400 1 938 151 134 ALA N N 118.099 0.400 1 939 152 135 PHE H H 7.644 0.020 1 940 152 135 PHE HA H 3.878 0.020 1 941 152 135 PHE C C 177.548 0.400 1 942 152 135 PHE CA C 60.831 0.400 1 943 152 135 PHE CB C 40.202 0.400 1 944 152 135 PHE N N 116.753 0.400 1 945 153 136 ILE H H 8.457 0.020 1 946 153 136 ILE HA H 3.435 0.020 1 947 153 136 ILE HB H 2.026 0.020 1 948 153 136 ILE HG2 H 0.816 0.020 1 949 153 136 ILE HD1 H 0.848 0.020 1 950 153 136 ILE C C 177.312 0.400 1 951 153 136 ILE CA C 65.004 0.400 1 952 153 136 ILE CB C 37.221 0.400 1 953 153 136 ILE CG2 C 17.215 0.400 1 954 153 136 ILE CD1 C 12.381 0.400 1 955 153 136 ILE N N 118.495 0.400 1 956 154 137 ILE H H 7.944 0.020 1 957 154 137 ILE HA H 3.348 0.020 1 958 154 137 ILE HB H 1.324 0.020 1 959 154 137 ILE HG2 H -0.279 0.020 1 960 154 137 ILE HD1 H 0.503 0.020 1 961 154 137 ILE C C 177.719 0.400 1 962 154 137 ILE CA C 65.414 0.400 1 963 154 137 ILE CB C 36.768 0.400 1 964 154 137 ILE CG2 C 16.373 0.400 1 965 154 137 ILE CD1 C 12.370 0.400 1 966 154 137 ILE N N 118.102 0.400 1 967 155 138 GLY H H 8.409 0.020 1 968 155 138 GLY C C 175.880 0.400 1 969 155 138 GLY CA C 48.214 0.400 1 970 155 138 GLY N N 105.830 0.400 1 971 156 139 CYS H H 8.758 0.020 1 972 156 139 CYS HA H 4.444 0.020 1 973 156 139 CYS HB2 H 2.439 0.020 1 974 156 139 CYS HB3 H 2.439 0.020 1 975 156 139 CYS C C 177.154 0.400 1 976 156 139 CYS CA C 64.969 0.400 1 977 156 139 CYS CB C 27.243 0.400 1 978 156 139 CYS N N 118.822 0.400 1 979 157 140 LEU H H 8.337 0.020 1 980 157 140 LEU HA H 3.974 0.020 1 981 157 140 LEU HB2 H 1.754 0.020 1 982 157 140 LEU HB3 H 1.754 0.020 1 983 157 140 LEU HD1 H 0.708 0.020 2 984 157 140 LEU HD2 H 0.703 0.020 2 985 157 140 LEU C C 177.946 0.400 1 986 157 140 LEU CA C 58.242 0.400 1 987 157 140 LEU CB C 41.379 0.400 1 988 157 140 LEU CD1 C 25.245 0.400 1 989 157 140 LEU CD2 C 23.141 0.400 1 990 157 140 LEU N N 120.913 0.400 1 991 158 141 ALA H H 7.856 0.020 1 992 158 141 ALA HA H 4.065 0.020 1 993 158 141 ALA HB H 1.676 0.020 1 994 158 141 ALA C C 178.303 0.400 1 995 158 141 ALA CA C 55.781 0.400 1 996 158 141 ALA CB C 17.863 0.400 1 997 158 141 ALA N N 121.229 0.400 1 998 159 142 TRP H H 7.692 0.020 1 999 159 142 TRP HA H 4.758 0.020 1 1000 159 142 TRP HB2 H 3.361 0.020 1 1001 159 142 TRP HB3 H 3.361 0.020 1 1002 159 142 TRP HD1 H 7.222 0.020 1 1003 159 142 TRP HE3 H 7.470 0.020 1 1004 159 142 TRP HZ2 H 8.135 0.020 1 1005 159 142 TRP HZ3 H 6.790 0.020 1 1006 159 142 TRP HH2 H 6.951 0.020 1 1007 159 142 TRP C C 177.691 0.400 1 1008 159 142 TRP CA C 59.642 0.400 1 1009 159 142 TRP CB C 29.323 0.400 1 1010 159 142 TRP CD1 C 124.225 0.400 1 1011 159 142 TRP CE3 C 119.291 0.400 1 1012 159 142 TRP CZ2 C 114.923 0.400 1 1013 159 142 TRP CZ3 C 120.511 0.400 1 1014 159 142 TRP CH2 C 123.020 0.400 1 1015 159 142 TRP N N 119.274 0.400 1 1016 159 142 TRP NE1 N 127.400 0.400 1 1017 160 143 VAL H H 8.823 0.020 1 1018 160 143 VAL HA H 3.140 0.020 1 1019 160 143 VAL HG1 H 0.720 0.020 2 1020 160 143 VAL HG2 H 0.815 0.020 2 1021 160 143 VAL C C 177.499 0.400 1 1022 160 143 VAL CA C 66.415 0.400 1 1023 160 143 VAL CB C 30.849 0.400 1 1024 160 143 VAL CG1 C 21.741 0.400 1 1025 160 143 VAL CG2 C 23.132 0.400 1 1026 160 143 VAL N N 117.385 0.400 1 1027 161 144 TYR H H 8.557 0.020 1 1028 161 144 TYR HA H 4.113 0.020 1 1029 161 144 TYR C C 176.452 0.400 1 1030 161 144 TYR CA C 62.206 0.400 1 1031 161 144 TYR CB C 37.766 0.400 1 1032 161 144 TYR N N 121.375 0.400 1 1033 162 145 MET H H 7.758 0.020 1 1034 162 145 MET HA H 4.007 0.020 1 1035 162 145 MET HE H 1.721 0.020 1 1036 162 145 MET C C 177.320 0.400 1 1037 162 145 MET CA C 58.591 0.400 1 1038 162 145 MET CE C 16.805 0.400 1 1039 162 145 MET N N 118.297 0.400 1 1040 163 146 ILE H H 7.710 0.020 1 1041 163 146 ILE HA H 3.155 0.020 1 1042 163 146 ILE HB H 1.621 0.020 1 1043 163 146 ILE HG2 H 0.516 0.020 1 1044 163 146 ILE HD1 H -0.250 0.020 1 1045 163 146 ILE C C 177.551 0.400 1 1046 163 146 ILE CA C 66.276 0.400 1 1047 163 146 ILE CB C 37.695 0.400 1 1048 163 146 ILE CG2 C 17.513 0.400 1 1049 163 146 ILE CD1 C 12.318 0.400 1 1050 163 146 ILE N N 117.273 0.400 1 1051 164 147 TYR H H 8.922 0.020 1 1052 164 147 TYR C C 177.490 0.400 1 1053 164 147 TYR CA C 62.390 0.400 1 1054 164 147 TYR CB C 38.050 0.400 1 1055 164 147 TYR N N 119.839 0.400 1 1056 165 148 GLU H H 8.355 0.020 1 1057 165 148 GLU HA H 3.672 0.020 1 1058 165 148 GLU HB2 H 1.743 0.020 1 1059 165 148 GLU HB3 H 1.743 0.020 1 1060 165 148 GLU C C 178.853 0.400 1 1061 165 148 GLU CA C 58.925 0.400 1 1062 165 148 GLU CB C 28.439 0.400 1 1063 165 148 GLU N N 118.920 0.400 1 1064 166 149 LEU H H 7.731 0.020 1 1065 166 149 LEU HA H 4.005 0.020 1 1066 166 149 LEU C C 177.794 0.400 1 1067 166 149 LEU CA C 57.139 0.400 1 1068 166 149 LEU CB C 42.426 0.400 1 1069 166 149 LEU N N 117.945 0.400 1 1070 167 150 TRP H H 8.595 0.020 1 1071 167 150 TRP HA H 4.338 0.020 1 1072 167 150 TRP HB2 H 3.086 0.020 1 1073 167 150 TRP HB3 H 3.086 0.020 1 1074 167 150 TRP HD1 H 7.027 0.020 1 1075 167 150 TRP HE3 H 7.392 0.020 1 1076 167 150 TRP HZ2 H 7.400 0.020 1 1077 167 150 TRP HZ3 H 6.991 0.020 1 1078 167 150 TRP HH2 H 7.159 0.020 1 1079 167 150 TRP C C 176.541 0.400 1 1080 167 150 TRP CA C 59.664 0.400 1 1081 167 150 TRP CB C 30.302 0.400 1 1082 167 150 TRP CD1 C 126.095 0.400 1 1083 167 150 TRP CE3 C 120.365 0.400 1 1084 167 150 TRP CZ2 C 114.534 0.400 1 1085 167 150 TRP CZ3 C 121.298 0.400 1 1086 167 150 TRP CH2 C 124.184 0.400 1 1087 167 150 TRP N N 119.475 0.400 1 1088 167 150 TRP NE1 N 128.900 0.400 1 1089 168 151 ALA H H 8.541 0.020 1 1090 168 151 ALA HA H 4.152 0.020 1 1091 168 151 ALA HB H 1.016 0.020 1 1092 168 151 ALA C C 177.717 0.400 1 1093 168 151 ALA CA C 52.202 0.400 1 1094 168 151 ALA CB C 20.764 0.400 1 1095 168 151 ALA N N 118.480 0.400 1 1096 169 152 GLY H H 7.378 0.020 1 1097 169 152 GLY C C 175.594 0.400 1 1098 169 152 GLY CA C 45.238 0.400 1 1099 169 152 GLY N N 107.855 0.400 1 1100 170 153 GLU H H 8.730 0.020 1 1101 170 153 GLU HA H 4.137 0.020 1 1102 170 153 GLU HB2 H 1.973 0.020 1 1103 170 153 GLU HB3 H 1.973 0.020 1 1104 170 153 GLU C C 178.122 0.400 1 1105 170 153 GLU CA C 58.567 0.400 1 1106 170 153 GLU CB C 30.000 0.400 1 1107 170 153 GLU N N 123.904 0.400 1 1108 171 154 GLY H H 8.476 0.020 1 1109 171 154 GLY C C 174.502 0.400 1 1110 171 154 GLY CA C 46.717 0.400 1 1111 171 154 GLY N N 106.295 0.400 1 1112 172 155 LYS H H 7.236 0.020 1 1113 172 155 LYS HA H 3.917 0.020 1 1114 172 155 LYS C C 177.929 0.400 1 1115 172 155 LYS CA C 57.915 0.400 1 1116 172 155 LYS CB C 31.400 0.400 1 1117 172 155 LYS N N 120.180 0.400 1 1118 173 156 SER H H 7.756 0.020 1 1119 173 156 SER HA H 4.295 0.020 1 1120 173 156 SER HB2 H 3.899 0.020 1 1121 173 156 SER HB3 H 3.899 0.020 1 1122 173 156 SER C C 175.632 0.400 1 1123 173 156 SER CA C 59.756 0.400 1 1124 173 156 SER CB C 63.301 0.400 1 1125 173 156 SER N N 113.512 0.400 1 1126 174 157 ALA H H 7.712 0.020 1 1127 174 157 ALA HA H 4.202 0.020 1 1128 174 157 ALA HB H 1.439 0.020 1 1129 174 157 ALA C C 178.135 0.400 1 1130 174 157 ALA CA C 53.814 0.400 1 1131 174 157 ALA CB C 19.368 0.400 1 1132 174 157 ALA N N 123.299 0.400 1 1133 175 158 CYS H H 7.789 0.020 1 1134 175 158 CYS HA H 4.169 0.020 1 1135 175 158 CYS HB2 H 2.486 0.020 1 1136 175 158 CYS HB3 H 2.486 0.020 1 1137 175 158 CYS C C 175.107 0.400 1 1138 175 158 CYS CA C 59.528 0.400 1 1139 175 158 CYS CB C 27.301 0.400 1 1140 175 158 CYS N N 114.531 0.400 1 1141 176 159 ASN H H 7.909 0.020 1 1142 176 159 ASN HA H 4.575 0.020 1 1143 176 159 ASN HB2 H 2.861 0.020 1 1144 176 159 ASN HB3 H 2.861 0.020 1 1145 176 159 ASN C C 175.783 0.400 1 1146 176 159 ASN CA C 54.620 0.400 1 1147 176 159 ASN CB C 38.589 0.400 1 1148 176 159 ASN N N 118.545 0.400 1 1149 177 160 THR H H 7.717 0.020 1 1150 177 160 THR HA H 4.386 0.020 1 1151 177 160 THR HB H 4.403 0.020 1 1152 177 160 THR HG2 H 1.180 0.020 1 1153 177 160 THR C C 173.954 0.400 1 1154 177 160 THR CA C 61.472 0.400 1 1155 177 160 THR CB C 69.321 0.400 1 1156 177 160 THR CG2 C 21.555 0.400 1 1157 177 160 THR N N 110.504 0.400 1 1158 178 161 ALA H H 7.697 0.020 1 1159 178 161 ALA HA H 4.476 0.020 1 1160 178 161 ALA HB H 1.465 0.020 1 1161 178 161 ALA C C 177.012 0.400 1 1162 178 161 ALA CA C 51.826 0.400 1 1163 178 161 ALA CB C 19.867 0.400 1 1164 178 161 ALA N N 125.091 0.400 1 1165 179 162 SER H H 8.070 0.020 1 1166 179 162 SER CA C 56.330 0.400 1 1167 179 162 SER CB C 63.240 0.400 1 1168 179 162 SER N N 115.764 0.400 1 1169 180 163 PRO HA H 4.312 0.020 1 1170 180 163 PRO HB2 H 2.446 0.020 1 1171 180 163 PRO HB3 H 2.446 0.020 1 1172 180 163 PRO C C 178.933 0.400 1 1173 180 163 PRO CA C 65.827 0.400 1 1174 180 163 PRO CB C 32.023 0.400 1 1175 181 164 ALA H H 8.163 0.020 1 1176 181 164 ALA HA H 4.204 0.020 1 1177 181 164 ALA HB H 1.485 0.020 1 1178 181 164 ALA C C 180.060 0.400 1 1179 181 164 ALA CA C 55.213 0.400 1 1180 181 164 ALA CB C 18.915 0.400 1 1181 181 164 ALA N N 119.475 0.400 1 1182 182 165 VAL H H 7.476 0.020 1 1183 182 165 VAL HA H 3.663 0.020 1 1184 182 165 VAL HG1 H 0.970 0.020 2 1185 182 165 VAL HG2 H 1.102 0.020 2 1186 182 165 VAL C C 177.650 0.400 1 1187 182 165 VAL CA C 66.330 0.400 1 1188 182 165 VAL CB C 31.542 0.400 1 1189 182 165 VAL CG1 C 21.765 0.400 1 1190 182 165 VAL CG2 C 23.573 0.400 1 1191 182 165 VAL N N 118.856 0.400 1 1192 183 166 GLN H H 8.369 0.020 1 1193 183 166 GLN HA H 3.996 0.020 1 1194 183 166 GLN HB2 H 2.173 0.020 1 1195 183 166 GLN HB3 H 2.173 0.020 1 1196 183 166 GLN C C 178.549 0.400 1 1197 183 166 GLN CA C 59.779 0.400 1 1198 183 166 GLN CB C 28.513 0.400 1 1199 183 166 GLN N N 119.310 0.400 1 1200 184 167 SER H H 8.261 0.020 1 1201 184 167 SER HA H 4.084 0.020 1 1202 184 167 SER C C 177.241 0.400 1 1203 184 167 SER CA C 62.109 0.400 1 1204 184 167 SER CB C 63.220 0.400 1 1205 184 167 SER N N 113.405 0.400 1 1206 185 168 ALA H H 7.930 0.020 1 1207 185 168 ALA HA H 4.069 0.020 1 1208 185 168 ALA HB H 1.564 0.020 1 1209 185 168 ALA C C 178.295 0.400 1 1210 185 168 ALA CA C 55.880 0.400 1 1211 185 168 ALA CB C 18.606 0.400 1 1212 185 168 ALA N N 125.910 0.400 1 1213 186 169 TYR H H 8.756 0.020 1 1214 186 169 TYR HA H 4.377 0.020 1 1215 186 169 TYR C C 177.370 0.400 1 1216 186 169 TYR CA C 62.016 0.400 1 1217 186 169 TYR CB C 38.750 0.400 1 1218 186 169 TYR N N 119.378 0.400 1 1219 187 170 ASN H H 8.635 0.020 1 1220 187 170 ASN HA H 4.262 0.020 1 1221 187 170 ASN HB2 H 2.674 0.020 1 1222 187 170 ASN HB3 H 2.674 0.020 1 1223 187 170 ASN C C 177.092 0.400 1 1224 187 170 ASN CA C 56.245 0.400 1 1225 187 170 ASN CB C 38.005 0.400 1 1226 187 170 ASN N N 117.158 0.400 1 1227 188 171 THR H H 8.040 0.020 1 1228 188 171 THR HG2 H 1.306 0.020 1 1229 188 171 THR C C 176.019 0.400 1 1230 188 171 THR CA C 68.110 0.400 1 1231 188 171 THR CG2 C 21.672 0.400 1 1232 188 171 THR N N 115.973 0.400 1 1233 189 172 MET H H 7.958 0.020 1 1234 189 172 MET HA H 3.570 0.020 1 1235 189 172 MET HE H 2.331 0.020 1 1236 189 172 MET C C 177.136 0.400 1 1237 189 172 MET CA C 59.535 0.400 1 1238 189 172 MET CE C 17.764 0.400 1 1239 189 172 MET N N 120.296 0.400 1 1240 190 173 MET H H 8.065 0.020 1 1241 190 173 MET HA H 3.867 0.020 1 1242 190 173 MET HE H 1.778 0.020 1 1243 190 173 MET C C 177.688 0.400 1 1244 190 173 MET CA C 58.764 0.400 1 1245 190 173 MET CB C 31.951 0.400 1 1246 190 173 MET CE C 16.597 0.400 1 1247 190 173 MET N N 116.857 0.400 1 1248 191 174 TYR H H 8.365 0.020 1 1249 191 174 TYR HA H 4.409 0.020 1 1250 191 174 TYR HB2 H 3.235 0.020 1 1251 191 174 TYR HB3 H 3.235 0.020 1 1252 191 174 TYR C C 178.795 0.400 1 1253 191 174 TYR CA C 61.456 0.400 1 1254 191 174 TYR CB C 38.153 0.400 1 1255 191 174 TYR N N 116.807 0.400 1 1256 192 175 ILE H H 8.189 0.020 1 1257 192 175 ILE HA H 3.101 0.020 1 1258 192 175 ILE HG2 H 0.476 0.020 1 1259 192 175 ILE HD1 H 0.099 0.020 1 1260 192 175 ILE C C 175.432 0.400 1 1261 192 175 ILE CA C 64.001 0.400 1 1262 192 175 ILE CB C 37.283 0.400 1 1263 192 175 ILE CG2 C 16.685 0.400 1 1264 192 175 ILE CD1 C 12.359 0.400 1 1265 192 175 ILE N N 119.828 0.400 1 1266 193 176 ILE H H 7.712 0.020 1 1267 193 176 ILE HA H 3.835 0.020 1 1268 193 176 ILE HB H 1.934 0.020 1 1269 193 176 ILE HG2 H 1.193 0.020 1 1270 193 176 ILE HD1 H 0.938 0.020 1 1271 193 176 ILE C C 176.866 0.400 1 1272 193 176 ILE CA C 65.277 0.400 1 1273 193 176 ILE CB C 36.976 0.400 1 1274 193 176 ILE CG2 C 19.151 0.400 1 1275 193 176 ILE CD1 C 12.871 0.400 1 1276 193 176 ILE N N 116.552 0.400 1 1277 194 177 ILE H H 7.672 0.020 1 1278 194 177 ILE HA H 3.953 0.020 1 1279 194 177 ILE HB H 1.370 0.020 1 1280 194 177 ILE HG2 H 0.050 0.020 1 1281 194 177 ILE HD1 H 0.527 0.020 1 1282 194 177 ILE C C 174.552 0.400 1 1283 194 177 ILE CA C 65.018 0.400 1 1284 194 177 ILE CB C 38.952 0.400 1 1285 194 177 ILE CG2 C 16.576 0.400 1 1286 194 177 ILE CD1 C 14.080 0.400 1 1287 194 177 ILE N N 119.512 0.400 1 1288 195 178 PHE H H 8.035 0.020 1 1289 195 178 PHE HA H 4.481 0.020 1 1290 195 178 PHE HB2 H 3.060 0.020 1 1291 195 178 PHE HB3 H 3.060 0.020 1 1292 195 178 PHE C C 176.939 0.400 1 1293 195 178 PHE CA C 61.019 0.400 1 1294 195 178 PHE CB C 40.193 0.400 1 1295 195 178 PHE N N 111.560 0.400 1 1296 196 179 GLY H H 8.244 0.020 1 1297 196 179 GLY C C 179.304 0.400 1 1298 196 179 GLY CA C 48.162 0.400 1 1299 196 179 GLY N N 105.334 0.400 1 1300 197 180 TRP H H 8.966 0.020 1 1301 197 180 TRP HD1 H 7.439 0.020 1 1302 197 180 TRP HE3 H 7.504 0.020 1 1303 197 180 TRP HZ2 H 7.152 0.020 1 1304 197 180 TRP HH2 H 6.992 0.020 1 1305 197 180 TRP C C 177.335 0.400 1 1306 197 180 TRP CD1 C 125.576 0.400 1 1307 197 180 TRP CE3 C 121.233 0.400 1 1308 197 180 TRP CZ2 C 112.887 0.400 1 1309 197 180 TRP CH2 C 123.777 0.400 1 1310 197 180 TRP N N 121.643 0.400 1 1311 197 180 TRP NE1 N 127.200 0.400 1 1312 198 181 ALA H H 7.263 0.020 1 1313 198 181 ALA HA H 3.777 0.020 1 1314 198 181 ALA HB H 1.841 0.020 1 1315 198 181 ALA C C 177.015 0.400 1 1316 198 181 ALA CA C 54.284 0.400 1 1317 198 181 ALA CB C 18.710 0.400 1 1318 198 181 ALA N N 118.247 0.400 1 1319 199 182 ILE H H 7.131 0.020 1 1320 199 182 ILE HA H 3.338 0.020 1 1321 199 182 ILE HG2 H 0.710 0.020 1 1322 199 182 ILE HD1 H 0.896 0.020 1 1323 199 182 ILE C C 176.885 0.400 1 1324 199 182 ILE CA C 65.017 0.400 1 1325 199 182 ILE CB C 38.338 0.400 1 1326 199 182 ILE CG2 C 19.654 0.400 1 1327 199 182 ILE CD1 C 13.541 0.400 1 1328 199 182 ILE N N 111.841 0.400 1 1329 200 183 TYR H H 7.031 0.020 1 1330 200 183 TYR CA C 64.070 0.400 1 1331 200 183 TYR N N 114.318 0.400 1 1332 201 184 PRO HA H 3.943 0.020 1 1333 201 184 PRO C C 178.524 0.400 1 1334 201 184 PRO CA C 61.426 0.400 1 1335 201 184 PRO CB C 37.863 0.400 1 1336 202 185 VAL H H 7.180 0.020 1 1337 202 185 VAL HA H 3.753 0.020 1 1338 202 185 VAL HB H 2.456 0.020 1 1339 202 185 VAL HG2 H 1.087 0.020 1 1340 202 185 VAL C C 178.279 0.400 1 1341 202 185 VAL CA C 67.902 0.400 1 1342 202 185 VAL CB C 30.836 0.400 1 1343 202 185 VAL CG2 C 23.309 0.400 1 1344 202 185 VAL N N 118.048 0.400 1 1345 203 186 GLY H H 8.406 0.020 1 1346 203 186 GLY C C 174.571 0.400 1 1347 203 186 GLY CA C 48.344 0.400 1 1348 203 186 GLY N N 110.985 0.400 1 1349 204 187 TYR H H 8.484 0.020 1 1350 204 187 TYR HA H 4.208 0.020 1 1351 204 187 TYR C C 178.303 0.400 1 1352 204 187 TYR CA C 61.775 0.400 1 1353 204 187 TYR CB C 38.572 0.400 1 1354 204 187 TYR N N 124.703 0.400 1 1355 205 188 PHE H H 8.979 0.020 1 1356 205 188 PHE HA H 3.580 0.020 1 1357 205 188 PHE HB2 H 3.043 0.020 1 1358 205 188 PHE HB3 H 3.043 0.020 1 1359 205 188 PHE C C 178.078 0.400 1 1360 205 188 PHE CA C 61.808 0.400 1 1361 205 188 PHE CB C 39.850 0.400 1 1362 205 188 PHE N N 120.582 0.400 1 1363 206 189 THR H H 8.350 0.020 1 1364 206 189 THR HA H 4.062 0.020 1 1365 206 189 THR HB H 4.223 0.020 1 1366 206 189 THR HG2 H 1.320 0.020 1 1367 206 189 THR C C 176.050 0.400 1 1368 206 189 THR CA C 65.843 0.400 1 1369 206 189 THR CB C 69.097 0.400 1 1370 206 189 THR CG2 C 22.044 0.400 1 1371 206 189 THR N N 111.408 0.400 1 1372 207 190 GLY H H 8.131 0.020 1 1373 207 190 GLY C C 174.580 0.400 1 1374 207 190 GLY CA C 46.571 0.400 1 1375 207 190 GLY N N 107.635 0.400 1 1376 208 191 TYR H H 7.612 0.020 1 1377 208 191 TYR HA H 4.672 0.020 1 1378 208 191 TYR C C 176.879 0.400 1 1379 208 191 TYR CA C 59.334 0.400 1 1380 208 191 TYR CB C 42.024 0.400 1 1381 208 191 TYR N N 112.784 0.400 1 1382 209 192 LEU H H 7.789 0.020 1 1383 209 192 LEU HA H 4.341 0.020 1 1384 209 192 LEU HD1 H -0.379 0.020 2 1385 209 192 LEU HD2 H -0.001 0.020 2 1386 209 192 LEU C C 176.193 0.400 1 1387 209 192 LEU CA C 54.366 0.400 1 1388 209 192 LEU CB C 40.783 0.400 1 1389 209 192 LEU CD1 C 24.543 0.400 1 1390 209 192 LEU CD2 C 22.087 0.400 1 1391 209 192 LEU N N 116.417 0.400 1 1392 210 193 MET H H 7.456 0.020 1 1393 210 193 MET HA H 4.231 0.020 1 1394 210 193 MET HB2 H 2.027 0.020 1 1395 210 193 MET HB3 H 2.027 0.020 1 1396 210 193 MET HE H 2.195 0.020 1 1397 210 193 MET C C 177.032 0.400 1 1398 210 193 MET CA C 55.806 0.400 1 1399 210 193 MET CB C 33.588 0.400 1 1400 210 193 MET CE C 17.079 0.400 1 1401 210 193 MET N N 118.152 0.400 1 1402 211 194 GLY H H 8.430 0.020 1 1403 211 194 GLY C C 174.520 0.400 1 1404 211 194 GLY CA C 46.197 0.400 1 1405 211 194 GLY N N 109.852 0.400 1 1406 212 195 ASP H H 8.261 0.020 1 1407 212 195 ASP HA H 4.635 0.020 1 1408 212 195 ASP HB2 H 2.746 0.020 1 1409 212 195 ASP HB3 H 2.746 0.020 1 1410 212 195 ASP C C 176.474 0.400 1 1411 212 195 ASP CA C 54.241 0.400 1 1412 212 195 ASP CB C 40.691 0.400 1 1413 212 195 ASP N N 120.789 0.400 1 1414 213 196 GLY H H 8.114 0.020 1 1415 213 196 GLY C C 174.541 0.400 1 1416 213 196 GLY CA C 45.466 0.400 1 1417 213 196 GLY N N 108.736 0.400 1 1418 214 197 GLY H H 7.915 0.020 1 1419 214 197 GLY C C 173.818 0.400 1 1420 214 197 GLY CA C 45.214 0.400 1 1421 214 197 GLY N N 108.745 0.400 1 1422 215 198 SER H H 8.012 0.020 1 1423 215 198 SER C C 174.800 0.400 1 1424 215 198 SER CA C 57.080 0.400 1 1425 215 198 SER CB C 64.610 0.400 1 1426 215 198 SER N N 113.545 0.400 1 1427 216 199 ALA H H 8.880 0.020 1 1428 216 199 ALA HA H 4.190 0.020 1 1429 216 199 ALA HB H 1.677 0.020 1 1430 216 199 ALA C C 180.176 0.400 1 1431 216 199 ALA CA C 54.423 0.400 1 1432 216 199 ALA CB C 18.729 0.400 1 1433 216 199 ALA N N 129.971 0.400 1 1434 217 200 LEU H H 8.030 0.020 1 1435 217 200 LEU HA H 4.093 0.020 1 1436 217 200 LEU C C 178.456 0.400 1 1437 217 200 LEU CA C 58.058 0.400 1 1438 217 200 LEU N N 120.143 0.400 1 1439 218 201 ASN H H 7.625 0.020 1 1440 218 201 ASN HA H 4.449 0.020 1 1441 218 201 ASN C C 176.181 0.400 1 1442 218 201 ASN CA C 55.241 0.400 1 1443 218 201 ASN CB C 38.216 0.400 1 1444 218 201 ASN N N 118.674 0.400 1 1445 219 202 LEU H H 7.636 0.020 1 1446 219 202 LEU HA H 4.042 0.020 1 1447 219 202 LEU HD1 H 0.782 0.020 1 1448 219 202 LEU C C 179.976 0.400 1 1449 219 202 LEU CA C 58.290 0.400 1 1450 219 202 LEU CD1 C 23.390 0.400 1 1451 219 202 LEU N N 121.492 0.400 1 1452 220 203 ASN H H 7.527 0.020 1 1453 220 203 ASN HA H 3.967 0.020 1 1454 220 203 ASN C C 175.983 0.400 1 1455 220 203 ASN CA C 57.791 0.400 1 1456 220 203 ASN CB C 39.830 0.400 1 1457 220 203 ASN N N 111.402 0.400 1 1458 221 204 LEU H H 7.346 0.020 1 1459 221 204 LEU HA H 4.173 0.020 1 1460 221 204 LEU HG H 1.876 0.020 1 1461 221 204 LEU HD1 H 1.102 0.020 2 1462 221 204 LEU HD2 H 1.088 0.020 2 1463 221 204 LEU C C 177.990 0.400 1 1464 221 204 LEU CA C 58.597 0.400 1 1465 221 204 LEU CB C 42.180 0.400 1 1466 221 204 LEU CG C 27.886 0.400 1 1467 221 204 LEU CD1 C 25.140 0.400 1 1468 221 204 LEU CD2 C 24.833 0.400 1 1469 221 204 LEU N N 119.832 0.400 1 1470 222 205 ILE H H 7.835 0.020 1 1471 222 205 ILE HA H 3.397 0.020 1 1472 222 205 ILE HB H 1.707 0.020 1 1473 222 205 ILE HG2 H 0.778 0.020 1 1474 222 205 ILE HD1 H 0.805 0.020 1 1475 222 205 ILE C C 177.889 0.400 1 1476 222 205 ILE CA C 66.288 0.400 1 1477 222 205 ILE CB C 37.182 0.400 1 1478 222 205 ILE CG2 C 19.170 0.400 1 1479 222 205 ILE CD1 C 13.745 0.400 1 1480 222 205 ILE N N 117.293 0.400 1 1481 223 206 TYR H H 8.573 0.020 1 1482 223 206 TYR HA H 4.537 0.020 1 1483 223 206 TYR HB2 H 3.132 0.020 1 1484 223 206 TYR HB3 H 3.132 0.020 1 1485 223 206 TYR C C 178.222 0.400 1 1486 223 206 TYR CA C 57.603 0.400 1 1487 223 206 TYR CB C 35.895 0.400 1 1488 223 206 TYR N N 118.893 0.400 1 1489 224 207 ASN H H 8.125 0.020 1 1490 224 207 ASN HA H 5.272 0.020 1 1491 224 207 ASN C C 177.987 0.400 1 1492 224 207 ASN CA C 55.105 0.400 1 1493 224 207 ASN CB C 36.031 0.400 1 1494 224 207 ASN N N 119.216 0.400 1 1495 225 208 LEU H H 8.174 0.020 1 1496 225 208 LEU HA H 4.001 0.020 1 1497 225 208 LEU HG H 1.828 0.020 1 1498 225 208 LEU HD1 H 0.727 0.020 2 1499 225 208 LEU HD2 H 0.798 0.020 2 1500 225 208 LEU C C 178.920 0.400 1 1501 225 208 LEU CA C 58.042 0.400 1 1502 225 208 LEU CB C 41.650 0.400 1 1503 225 208 LEU CG C 27.044 0.400 1 1504 225 208 LEU CD1 C 23.418 0.400 1 1505 225 208 LEU CD2 C 24.863 0.400 1 1506 225 208 LEU N N 119.975 0.400 1 1507 226 209 ALA H H 8.993 0.020 1 1508 226 209 ALA HA H 3.631 0.020 1 1509 226 209 ALA HB H 0.621 0.020 1 1510 226 209 ALA C C 180.518 0.400 1 1511 226 209 ALA CA C 55.547 0.400 1 1512 226 209 ALA CB C 17.452 0.400 1 1513 226 209 ALA N N 121.893 0.400 1 1514 227 210 ASP H H 8.437 0.020 1 1515 227 210 ASP HA H 4.444 0.020 1 1516 227 210 ASP C C 179.116 0.400 1 1517 227 210 ASP CA C 57.847 0.400 1 1518 227 210 ASP CB C 39.544 0.400 1 1519 227 210 ASP N N 120.086 0.400 1 1520 228 211 PHE H H 8.206 0.020 1 1521 228 211 PHE CA C 62.060 0.400 1 1522 228 211 PHE N N 121.321 0.400 1 1523 229 212 VAL HA H 3.476 0.020 1 1524 229 212 VAL HG1 H 0.903 0.020 2 1525 229 212 VAL HG2 H 1.098 0.020 2 1526 229 212 VAL C C 176.486 0.400 1 1527 229 212 VAL CA C 66.874 0.400 1 1528 229 212 VAL CB C 32.468 0.400 1 1529 229 212 VAL CG1 C 21.159 0.400 1 1530 229 212 VAL CG2 C 22.556 0.400 1 1531 230 213 ASN H H 8.800 0.020 1 1532 230 213 ASN HA H 4.587 0.020 1 1533 230 213 ASN HB2 H 2.732 0.020 1 1534 230 213 ASN HB3 H 2.732 0.020 1 1535 230 213 ASN C C 175.827 0.400 1 1536 230 213 ASN CA C 57.444 0.400 1 1537 230 213 ASN CB C 40.177 0.400 1 1538 230 213 ASN N N 113.621 0.400 1 1539 231 214 LYR H H 8.335 0.020 1 1540 231 214 LYR HA H 4.815 0.020 1 1541 231 214 LYR C C 177.081 0.400 1 1542 231 214 LYR CA C 58.884 0.400 1 1543 231 214 LYR CB C 34.757 0.400 1 1544 231 214 LYR N N 113.027 0.400 1 1545 232 215 ILE H H 7.190 0.020 1 1546 232 215 ILE HA H 4.025 0.020 1 1547 232 215 ILE HG2 H 0.620 0.020 1 1548 232 215 ILE HD1 H 0.676 0.020 1 1549 232 215 ILE C C 176.764 0.400 1 1550 232 215 ILE CA C 65.357 0.400 1 1551 232 215 ILE CB C 36.868 0.400 1 1552 232 215 ILE CG2 C 16.421 0.400 1 1553 232 215 ILE CD1 C 14.331 0.400 1 1554 232 215 ILE N N 117.249 0.400 1 1555 233 216 LEU H H 8.059 0.020 1 1556 233 216 LEU HA H 4.028 0.020 1 1557 233 216 LEU HG H 1.661 0.020 1 1558 233 216 LEU HD1 H 0.952 0.020 2 1559 233 216 LEU HD2 H 0.837 0.020 2 1560 233 216 LEU C C 178.864 0.400 1 1561 233 216 LEU CA C 58.934 0.400 1 1562 233 216 LEU CG C 26.957 0.400 1 1563 233 216 LEU CD1 C 25.182 0.400 1 1564 233 216 LEU CD2 C 23.588 0.400 1 1565 233 216 LEU N N 117.560 0.400 1 1566 234 217 PHE H H 7.506 0.020 1 1567 234 217 PHE HA H 4.303 0.020 1 1568 234 217 PHE C C 176.483 0.400 1 1569 234 217 PHE CA C 61.111 0.400 1 1570 234 217 PHE CB C 39.487 0.400 1 1571 234 217 PHE N N 115.037 0.400 1 1572 235 218 GLY H H 7.025 0.020 1 1573 235 218 GLY C C 175.890 0.400 1 1574 235 218 GLY CA C 47.615 0.400 1 1575 235 218 GLY N N 102.928 0.400 1 1576 236 219 LEU H H 8.390 0.020 1 1577 236 219 LEU HA H 4.645 0.020 1 1578 236 219 LEU C C 179.261 0.400 1 1579 236 219 LEU CA C 58.182 0.400 1 1580 236 219 LEU CB C 42.200 0.400 1 1581 236 219 LEU N N 121.323 0.400 1 1582 237 220 ILE H H 8.178 0.020 1 1583 237 220 ILE HA H 3.779 0.020 1 1584 237 220 ILE HB H 2.175 0.020 1 1585 237 220 ILE HG2 H 0.925 0.020 1 1586 237 220 ILE HD1 H 0.886 0.020 1 1587 237 220 ILE C C 177.673 0.400 1 1588 237 220 ILE CA C 65.710 0.400 1 1589 237 220 ILE CB C 37.317 0.400 1 1590 237 220 ILE CG2 C 17.419 0.400 1 1591 237 220 ILE CD1 C 13.718 0.400 1 1592 237 220 ILE N N 121.352 0.400 1 1593 238 221 ILE H H 7.380 0.020 1 1594 238 221 ILE HA H 3.487 0.020 1 1595 238 221 ILE HB H 2.007 0.020 1 1596 238 221 ILE HG2 H 0.856 0.020 1 1597 238 221 ILE HD1 H 0.593 0.020 1 1598 238 221 ILE C C 177.137 0.400 1 1599 238 221 ILE CA C 64.076 0.400 1 1600 238 221 ILE CB C 36.308 0.400 1 1601 238 221 ILE CG2 C 17.391 0.400 1 1602 238 221 ILE CD1 C 11.408 0.400 1 1603 238 221 ILE N N 119.655 0.400 1 1604 239 222 TRP H H 8.462 0.020 1 1605 239 222 TRP HA H 3.974 0.020 1 1606 239 222 TRP HB2 H 3.404 0.020 1 1607 239 222 TRP HB3 H 3.404 0.020 1 1608 239 222 TRP HD1 H 6.856 0.020 1 1609 239 222 TRP HE3 H 7.936 0.020 1 1610 239 222 TRP HZ2 H 7.560 0.020 1 1611 239 222 TRP HZ3 H 7.018 0.020 1 1612 239 222 TRP HH2 H 7.186 0.020 1 1613 239 222 TRP C C 175.543 0.400 1 1614 239 222 TRP CA C 62.486 0.400 1 1615 239 222 TRP CB C 28.193 0.400 1 1616 239 222 TRP CD1 C 124.397 0.400 1 1617 239 222 TRP CE3 C 120.827 0.400 1 1618 239 222 TRP CZ2 C 114.681 0.400 1 1619 239 222 TRP CZ3 C 121.201 0.400 1 1620 239 222 TRP CH2 C 124.112 0.400 1 1621 239 222 TRP N N 119.293 0.400 1 1622 239 222 TRP NE1 N 132.100 0.400 1 1623 240 223 ASN H H 8.319 0.020 1 1624 240 223 ASN HA H 3.480 0.020 1 1625 240 223 ASN HB2 H 2.801 0.020 1 1626 240 223 ASN HB3 H 2.801 0.020 1 1627 240 223 ASN C C 177.119 0.400 1 1628 240 223 ASN CA C 57.003 0.400 1 1629 240 223 ASN CB C 40.294 0.400 1 1630 240 223 ASN N N 116.114 0.400 1 1631 241 224 VAL H H 7.694 0.020 1 1632 241 224 VAL HA H 3.448 0.020 1 1633 241 224 VAL HB H 1.875 0.020 1 1634 241 224 VAL HG1 H 0.714 0.020 2 1635 241 224 VAL HG2 H 0.892 0.020 2 1636 241 224 VAL C C 176.586 0.400 1 1637 241 224 VAL CA C 65.763 0.400 1 1638 241 224 VAL CB C 31.267 0.400 1 1639 241 224 VAL CG1 C 21.516 0.400 1 1640 241 224 VAL CG2 C 22.948 0.400 1 1641 241 224 VAL N N 117.405 0.400 1 1642 242 225 ALA H H 7.723 0.020 1 1643 242 225 ALA HA H 2.396 0.020 1 1644 242 225 ALA HB H 0.918 0.020 1 1645 242 225 ALA C C 180.812 0.400 1 1646 242 225 ALA CA C 54.504 0.400 1 1647 242 225 ALA CB C 18.898 0.400 1 1648 242 225 ALA N N 122.805 0.400 1 1649 243 226 VAL H H 8.092 0.020 1 1650 243 226 VAL HA H 3.480 0.020 1 1651 243 226 VAL HB H 1.479 0.020 1 1652 243 226 VAL HG1 H 0.510 0.020 2 1653 243 226 VAL HG2 H 0.327 0.020 2 1654 243 226 VAL C C 178.791 0.400 1 1655 243 226 VAL CA C 65.632 0.400 1 1656 243 226 VAL CB C 31.530 0.400 1 1657 243 226 VAL CG1 C 20.978 0.400 1 1658 243 226 VAL CG2 C 21.226 0.400 1 1659 243 226 VAL N N 117.443 0.400 1 1660 244 227 LYS H H 7.510 0.020 1 1661 244 227 LYS HA H 3.991 0.020 1 1662 244 227 LYS C C 178.882 0.400 1 1663 244 227 LYS CA C 58.695 0.400 1 1664 244 227 LYS CB C 32.243 0.400 1 1665 244 227 LYS N N 121.587 0.400 1 1666 245 228 GLU H H 7.974 0.020 1 1667 245 228 GLU HA H 4.203 0.020 1 1668 245 228 GLU HB2 H 2.322 0.020 1 1669 245 228 GLU HB3 H 2.322 0.020 1 1670 245 228 GLU C C 178.103 0.400 1 1671 245 228 GLU CA C 58.301 0.400 1 1672 245 228 GLU CB C 29.875 0.400 1 1673 245 228 GLU N N 118.255 0.400 1 1674 246 229 SER H H 7.731 0.020 1 1675 246 229 SER HA H 4.598 0.020 1 1676 246 229 SER HB2 H 4.071 0.020 1 1677 246 229 SER HB3 H 4.071 0.020 1 1678 246 229 SER C C 174.525 0.400 1 1679 246 229 SER CA C 60.102 0.400 1 1680 246 229 SER CB C 63.879 0.400 1 1681 246 229 SER N N 114.506 0.400 1 1682 247 230 SER H H 7.809 0.020 1 1683 247 230 SER HA H 4.475 0.020 1 1684 247 230 SER HB2 H 3.929 0.020 1 1685 247 230 SER HB3 H 3.929 0.020 1 1686 247 230 SER C C 174.176 0.400 1 1687 247 230 SER CA C 59.040 0.400 1 1688 247 230 SER CB C 63.962 0.400 1 1689 247 230 SER N N 115.988 0.400 1 1690 248 231 ASN H H 8.074 0.020 1 1691 248 231 ASN HA H 4.777 0.020 1 1692 248 231 ASN HB2 H 2.827 0.020 1 1693 248 231 ASN HB3 H 2.827 0.020 1 1694 248 231 ASN C C 174.478 0.400 1 1695 248 231 ASN CA C 53.239 0.400 1 1696 248 231 ASN CB C 39.232 0.400 1 1697 248 231 ASN N N 120.156 0.400 1 1698 249 232 ALA H H 7.990 0.020 1 1699 249 232 ALA HA H 4.650 0.020 1 1700 249 232 ALA HB H 1.400 0.020 1 1701 249 232 ALA C C 175.574 0.400 1 1702 249 232 ALA CA C 50.705 0.400 1 1703 249 232 ALA CB C 18.427 0.400 1 1704 249 232 ALA N N 125.013 0.400 1 1705 250 233 PRO HA H 4.333 0.020 1 1706 250 233 PRO C C 176.271 0.400 1 1707 250 233 PRO CA C 57.615 0.400 1 1708 251 234 GLY H H 8.391 0.020 1 1709 251 234 GLY C C 174.974 0.400 1 1710 251 234 GLY CA C 45.500 0.400 1 1711 251 234 GLY N N 109.022 0.400 1 1712 252 235 GLY H H 8.226 0.020 1 1713 252 235 GLY CA C 45.505 0.400 1 1714 252 235 GLY N N 108.509 0.400 1 stop_ save_