data_15955 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Green Proteorhodopsin ; _BMRB_accession_number 15955 _BMRB_flat_file_name bmr15955.str _Entry_type original _Submission_date 2008-09-17 _Accession_date 2008-09-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solid-state NMR sequence specific assignment of proteorhodopsin' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Lichi . . 2 Lake Evelyn . . 3 Ahmed Mumdooh . . 4 Zhang Wurong . . 5 Whited Gregg . . 6 Brown Leonid . . 7 Ladizhansky Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 589 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-25 update author 'complete entry citation' 2009-09-04 update author 'update chemical shifts' 2009-03-03 update BMRB 'update entry citation' 2009-01-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-state NMR study of proteorhodopsin in the lipid environment: secondary structure and dynamics.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19799854 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Lichi . . 2 Lake Evelyn M.R. . 3 Ahmed Mumdooh A.M. . 4 Brown Leonid S. . 5 Ladizhansky Vladimir . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1788 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2563 _Page_last 2574 _Year 2009 _Details . loop_ _Keyword 'Solid-state NMR' 'Magic Angle Spinning' 'Three Dimensional' 'Membrane Protein' 'Seven Helix' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Three-Dimensional Solid-State NMR Study of a Seven-Helical Integral Membrane Proton Pump - Structural Insights' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19244620 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shi Lichi . . 2 Ahmed Mumdooh A. . 3 Zhang Wurong . . 4 Whited Gregg . . 5 Brown Leonid S. . 6 Ladizhansky Vladimir . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 386 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1078 _Page_last 1093 _Year 2009 _Details . loop_ _Keyword 'Solid-state NMR' 'Magic Angle Spinning' 'Three Dimensional' 'Membrane Protein' 'Seven Helix' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PR $GPR RE $entity_RET stop_ _System_molecular_weight 29500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'proton pump' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GPR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GPR _Molecular_mass 29500 _Mol_thiol_state 'all free' loop_ _Biological_function 'proton pump' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 255 _Mol_residue_sequence ; MKLLLILGSVIALPTFAAGG GDLDASDYTGVSFWLVTAAL LASTVFFFVERDRVSAKWKT SLTVSGLVTGIAFWHYMYMR GVWIETGDSPTVFRYIDWLL TVPLLICEFYLILAAATNVA GSLFKKLLVGSLVMLVFGYM GEAGIMAAWPAFIIGCLAWV YMIYELWAGEGKSACNTASP AVQSAYNTMMYIIIFGWAIY PVGYFTGYLMGDGGSALNLN LIYNLADFVNKILFGLIIWN VAVKESSNAHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LEU 4 LEU 5 LEU 6 ILE 7 LEU 8 GLY 9 SER 10 VAL 11 ILE 12 ALA 13 LEU 14 PRO 15 THR 16 PHE 17 ALA 18 ALA 19 GLY 20 GLY 21 GLY 22 ASP 23 LEU 24 ASP 25 ALA 26 SER 27 ASP 28 TYR 29 THR 30 GLY 31 VAL 32 SER 33 PHE 34 TRP 35 LEU 36 VAL 37 THR 38 ALA 39 ALA 40 LEU 41 LEU 42 ALA 43 SER 44 THR 45 VAL 46 PHE 47 PHE 48 PHE 49 VAL 50 GLU 51 ARG 52 ASP 53 ARG 54 VAL 55 SER 56 ALA 57 LYS 58 TRP 59 LYS 60 THR 61 SER 62 LEU 63 THR 64 VAL 65 SER 66 GLY 67 LEU 68 VAL 69 THR 70 GLY 71 ILE 72 ALA 73 PHE 74 TRP 75 HIS 76 TYR 77 MET 78 TYR 79 MET 80 ARG 81 GLY 82 VAL 83 TRP 84 ILE 85 GLU 86 THR 87 GLY 88 ASP 89 SER 90 PRO 91 THR 92 VAL 93 PHE 94 ARG 95 TYR 96 ILE 97 ASP 98 TRP 99 LEU 100 LEU 101 THR 102 VAL 103 PRO 104 LEU 105 LEU 106 ILE 107 CYS 108 GLU 109 PHE 110 TYR 111 LEU 112 ILE 113 LEU 114 ALA 115 ALA 116 ALA 117 THR 118 ASN 119 VAL 120 ALA 121 GLY 122 SER 123 LEU 124 PHE 125 LYS 126 LYS 127 LEU 128 LEU 129 VAL 130 GLY 131 SER 132 LEU 133 VAL 134 MET 135 LEU 136 VAL 137 PHE 138 GLY 139 TYR 140 MET 141 GLY 142 GLU 143 ALA 144 GLY 145 ILE 146 MET 147 ALA 148 ALA 149 TRP 150 PRO 151 ALA 152 PHE 153 ILE 154 ILE 155 GLY 156 CYS 157 LEU 158 ALA 159 TRP 160 VAL 161 TYR 162 MET 163 ILE 164 TYR 165 GLU 166 LEU 167 TRP 168 ALA 169 GLY 170 GLU 171 GLY 172 LYS 173 SER 174 ALA 175 CYS 176 ASN 177 THR 178 ALA 179 SER 180 PRO 181 ALA 182 VAL 183 GLN 184 SER 185 ALA 186 TYR 187 ASN 188 THR 189 MET 190 MET 191 TYR 192 ILE 193 ILE 194 ILE 195 PHE 196 GLY 197 TRP 198 ALA 199 ILE 200 TYR 201 PRO 202 VAL 203 GLY 204 TYR 205 PHE 206 THR 207 GLY 208 TYR 209 LEU 210 MET 211 GLY 212 ASP 213 GLY 214 GLY 215 SER 216 ALA 217 LEU 218 ASN 219 LEU 220 ASN 221 LEU 222 ILE 223 TYR 224 ASN 225 LEU 226 ALA 227 ASP 228 PHE 229 VAL 230 ASN 231 LYS 232 ILE 233 LEU 234 PHE 235 GLY 236 LEU 237 ILE 238 ILE 239 TRP 240 ASN 241 VAL 242 ALA 243 VAL 244 LYS 245 GLU 246 SER 247 SER 248 ASN 249 ALA 250 HIS 251 HIS 252 HIS 253 HIS 254 HIS 255 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 17327 proteorhodopsin 94.90 243 97.52 97.52 1.09e-165 BMRB 17817 GPR 100.00 255 100.00 100.00 0.00e+00 PDB 2L6X "Solution Nmr Structure Of Proteorhodopsin" 94.90 243 97.93 97.93 7.01e-167 GB AAG10475 "proteorhodopsin [uncultured marine gamma proteobacterium EBAC31A08]" 97.65 249 100.00 100.00 2.44e-175 GB AAK30175 "proteorhodopsin, partial [uncultured bacterium]" 97.65 252 97.59 99.20 9.75e-172 GB AAK30176 "proteorhodopsin, partial [uncultured bacterium]" 97.25 251 97.58 98.39 5.50e-170 GB AAK30181 "proteorhodopsin, partial [uncultured bacterium]" 97.25 251 97.18 98.39 2.63e-169 GB AAK30183 "proteorhodopsin, partial [uncultured bacterium]" 97.25 251 97.58 98.39 5.50e-170 SP Q9F7P4 "RecName: Full=Green-light absorbing proteorhodopsin; Short=GPR; Flags: Precursor" 97.65 249 100.00 100.00 2.44e-175 stop_ save_ ############# # Ligands # ############# save_RET _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common RETINAL _BMRB_code RET _PDB_code RET _Molecular_mass 284.436 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 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 . ? C2 C2 C . 0 . ? C20 C20 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H14 H14 H . 0 . ? H15 H15 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H163 H163 H . 0 . ? H171 H171 H . 0 . ? H172 H172 H . 0 . ? H173 H173 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 . ? H201 H201 H . 0 . ? H202 H202 H . 0 . ? H203 H203 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? O1 O1 O . 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 C1 C2 ? ? SING C1 C6 ? ? SING C1 C16 ? ? SING C1 C17 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? DOUB C5 C6 ? ? SING C5 C18 ? ? SING C6 C7 ? ? DOUB C7 C8 ? ? SING C7 H7 ? ? SING C8 C9 ? ? SING C8 H8 ? ? DOUB C9 C10 ? ? SING C9 C19 ? ? SING C10 C11 ? ? SING C10 H10 ? ? DOUB C11 C12 ? ? SING C11 H11 ? ? SING C12 C13 ? ? SING C12 H12 ? ? DOUB C13 C14 ? ? SING C13 C20 ? ? SING C14 C15 ? ? SING C14 H14 ? ? DOUB C15 O1 ? ? SING C15 H15 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C16 H163 ? ? SING C17 H171 ? ? SING C17 H172 ? ? SING C17 H173 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? SING C20 H201 ? ? SING C20 H202 ? ? SING C20 H203 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GPR 'gamma proteobacterium' 1236 eubacteria . gamma proteobacterium 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 $GPR 'recombinant technology' . Escherichia coli BL21 NA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'expressed on 4g/L 13C-glucose, 1g/L 15N-ammonium chloride and 1mM Natural abundant Phe, Leu, Tyr' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 50 mM 'natural abundance' CHES 50 mM 'natural abundance' DMPC 4 mg 'natural abundance' DMPA 0.4 mg 'natural abundance' $GPR 9 mg '[U-13C; U-15N]' $entity_RET 0.09 mg 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details 'expressed on 4g/L 13C-glucose, 1g/L 15N-ammonium chloride and 1mM Natural abundant Trp, His, Tyr, Phe, Arg, Ile' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling CHES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DMPC 5.4 mg 'natural abundance' DMPA 0.6 mg 'natural abundance' $GPR 12 mg '[U-13C; U-15N]' $entity_RET 0.1 mg 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_CC_SPC53_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC SPC53' _Sample_label $sample_1 save_ save_3D_NCACX_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CONCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONCA' _Sample_label $sample_1 save_ save_3D_CAN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CAN(CO)CA' _Sample_label $sample_1 save_ save_2D_CC_SPC53_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC SPC53' _Sample_label $sample_2 save_ save_3D_NCACX_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ save_3D_NCOCX_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_2 save_ save_3D_CONCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONCA' _Sample_label $sample_2 save_ save_3D_CAN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CAN(CO)CA' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 278 . K pH 9 . pH pressure 1 . atm 'ionic strength' 100 . mM 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 N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 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 '3D NCACX' '3D NCOCX' '3D CONCA' '3D CAN(CO)CA' 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 PR _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 29 29 THR C C 176.4 0.2 1 2 29 29 THR CA C 64.7 0.2 1 3 29 29 THR CB C 69.6 0.2 1 4 29 29 THR CG2 C 22.2 0.2 1 5 29 29 THR N N 107.1 0.2 1 6 30 30 GLY C C 174.6 0.2 1 7 30 30 GLY CA C 45.9 0.2 1 8 30 30 GLY N N 109.1 0.2 1 9 37 37 THR C C 175.7 0.2 1 10 37 37 THR CA C 69.2 0.2 1 11 37 37 THR CB C 68.5 0.2 1 12 37 37 THR CG2 C 22.9 0.2 1 13 37 37 THR N N 117.6 0.2 1 14 38 38 ALA C C 178.4 0.2 1 15 38 38 ALA CA C 55.2 0.2 1 16 38 38 ALA CB C 18.5 0.2 1 17 38 38 ALA N N 120.9 0.2 1 18 39 39 ALA C C 180.5 0.2 1 19 39 39 ALA CA C 55.1 0.2 1 20 39 39 ALA CB C 19.9 0.2 1 21 39 39 ALA N N 118.7 0.2 1 22 40 40 LEU C C 180.0 0.2 1 23 40 40 LEU CA C 57.6 0.2 1 24 40 40 LEU CB C 40.8 0.2 1 25 40 40 LEU N N 120.2 0.2 1 26 41 41 LEU C C 176.8 0.2 1 27 41 41 LEU CA C 58.2 0.2 1 28 41 41 LEU CB C 38.9 0.2 1 29 41 41 LEU CG C 25.9 0.2 1 30 42 42 ALA C C 178.9 0.2 1 31 42 42 ALA CA C 54.9 0.2 1 32 42 42 ALA CB C 18.7 0.2 1 33 42 42 ALA N N 117.8 0.2 1 34 43 43 SER C C 173.2 0.2 1 35 43 43 SER CA C 62.4 0.2 1 36 43 43 SER CB C 62.1 0.2 1 37 43 43 SER N N 111.9 0.2 1 38 44 44 THR C C 174.6 0.2 1 39 44 44 THR CA C 67.7 0.2 1 40 44 44 THR CB C 68.9 0.2 1 41 44 44 THR CG2 C 20.9 0.2 1 42 44 44 THR N N 118.4 0.2 1 43 45 45 VAL C C 176.2 0.2 1 44 45 45 VAL CA C 67.6 0.2 1 45 45 45 VAL CB C 31.4 0.2 1 46 45 45 VAL CG2 C 22.8 0.2 1 47 45 45 VAL N N 117.8 0.2 1 48 46 46 PHE C C 177.6 0.2 1 49 46 46 PHE CA C 59.4 0.2 1 50 46 46 PHE N N 118.0 0.2 1 51 47 47 PHE C C 179.1 0.2 1 52 47 47 PHE CA C 61.7 0.2 1 53 47 47 PHE CB C 37.9 0.2 1 54 47 47 PHE N N 116.4 0.2 1 55 63 63 THR C C 175.5 0.2 1 56 63 63 THR CA C 62.7 0.2 1 57 63 63 THR CB C 67.1 0.2 1 58 63 63 THR CG2 C 22.3 0.2 1 59 64 64 VAL C C 178.6 0.2 1 60 64 64 VAL CA C 68.0 0.2 1 61 64 64 VAL CB C 31.4 0.2 1 62 64 64 VAL N N 122.9 0.2 1 63 65 65 SER C C 176.1 0.2 1 64 65 65 SER CA C 63.3 0.2 1 65 65 65 SER CB C 62.4 0.2 1 66 65 65 SER N N 117.2 0.2 1 67 66 66 GLY C C 175.9 0.2 1 68 66 66 GLY CA C 47.2 0.2 1 69 66 66 GLY N N 105.7 0.2 1 70 68 68 VAL C C 178.0 0.2 1 71 68 68 VAL CA C 67.4 0.2 1 72 68 68 VAL CB C 31.5 0.2 1 73 68 68 VAL CG1 C 24.2 0.2 1 74 68 68 VAL CG2 C 21.0 0.2 1 75 68 68 VAL N N 118.7 0.2 1 76 69 69 THR C C 177.3 0.2 1 77 69 69 THR CA C 65.4 0.2 1 78 69 69 THR CB C 67.2 0.2 1 79 69 69 THR CG2 C 23.0 0.2 1 80 69 69 THR N N 106.0 0.2 1 81 70 70 GLY C C 175.6 0.2 1 82 70 70 GLY CA C 48.3 0.2 1 83 70 70 GLY N N 115.6 0.2 1 84 71 71 ILE C C 177.6 0.2 1 85 71 71 ILE CA C 65.8 0.2 1 86 71 71 ILE CB C 38.0 0.2 1 87 71 71 ILE CD1 C 14.2 0.2 1 88 71 71 ILE CG2 C 18.9 0.2 1 89 71 71 ILE N N 124.2 0.2 1 90 72 72 ALA C C 179.1 0.2 1 91 72 72 ALA CA C 55.4 0.2 1 92 72 72 ALA CB C 19.6 0.2 1 93 72 72 ALA N N 120.3 0.2 1 94 73 73 PHE CA C 58.3 0.2 1 95 73 73 PHE CB C 42.3 0.2 1 96 73 73 PHE N N 120.1 0.2 1 97 81 81 GLY C C 176.0 0.2 1 98 81 81 GLY CA C 46.5 0.2 1 99 81 81 GLY N N 106.6 0.2 1 100 82 82 VAL C C 180.3 0.2 1 101 82 82 VAL CA C 66.2 0.2 1 102 82 82 VAL CB C 31.8 0.2 1 103 82 82 VAL CG1 C 22.3 0.2 1 104 82 82 VAL CG2 C 21.5 0.2 1 105 82 82 VAL N N 124.0 0.2 1 106 85 85 GLU C C 178.5 0.2 1 107 85 85 GLU CA C 58.8 0.2 1 108 85 85 GLU CB C 30.6 0.2 1 109 85 85 GLU CD C 183.5 0.2 1 110 85 85 GLU CG C 36.2 0.2 1 111 86 86 THR C C 176.0 0.2 1 112 86 86 THR CA C 62.1 0.2 1 113 86 86 THR CB C 72.3 0.2 1 114 86 86 THR CG2 C 21.1 0.2 1 115 86 86 THR N N 105.9 0.2 1 116 87 87 GLY C C 171.0 0.2 1 117 87 87 GLY CA C 45.0 0.2 1 118 87 87 GLY N N 112.8 0.2 1 119 88 88 ASP C C 174.8 0.2 1 120 88 88 ASP CA C 52.5 0.2 1 121 88 88 ASP CB C 43.9 0.2 1 122 88 88 ASP CG C 180.8 0.2 1 123 88 88 ASP N N 116.9 0.2 1 124 89 89 SER C C 172.4 0.2 1 125 89 89 SER CA C 56.9 0.2 1 126 89 89 SER CB C 65.2 0.2 1 127 89 89 SER N N 112.8 0.2 1 128 90 90 PRO C C 179.8 0.2 1 129 90 90 PRO CA C 63.2 0.2 1 130 90 90 PRO CB C 32.5 0.2 1 131 91 91 THR C C 178.3 0.2 1 132 91 91 THR CA C 66.2 0.2 1 133 91 91 THR CB C 67.5 0.2 1 134 91 91 THR CG2 C 22.9 0.2 1 135 91 91 THR N N 119.7 0.2 1 136 97 97 ASP C C 178.5 0.2 1 137 97 97 ASP CA C 55.9 0.2 1 138 97 97 ASP CB C 42.3 0.2 1 139 97 97 ASP CG C 175.4 0.2 1 140 97 97 ASP N N 114.6 0.2 1 141 98 98 TRP C C 177.8 0.2 1 142 98 98 TRP CA C 57.7 0.2 1 143 98 98 TRP CB C 30.5 0.2 1 144 98 98 TRP CD1 C 123.6 0.2 1 145 98 98 TRP CG C 111.9 0.2 1 146 98 98 TRP N N 114.1 0.2 1 147 99 99 LEU C C 173.5 0.2 1 148 99 99 LEU CA C 58.1 0.2 1 149 99 99 LEU CB C 42.2 0.2 1 150 99 99 LEU CG C 25.3 0.2 1 151 99 99 LEU N N 114.0 0.2 1 152 100 100 LEU C C 178.0 0.2 1 153 100 100 LEU CA C 54.6 0.2 1 154 100 100 LEU CB C 43.6 0.2 1 155 100 100 LEU CD2 C 22.7 0.2 1 156 100 100 LEU CG C 26.4 0.2 1 157 101 101 THR C C 177.1 0.2 1 158 101 101 THR CA C 65.8 0.2 1 159 101 101 THR CB C 69.7 0.2 1 160 101 101 THR CG2 C 23.1 0.2 1 161 101 101 THR N N 107.6 0.2 1 162 102 102 VAL C C 175.3 0.2 1 163 102 102 VAL CA C 68.3 0.2 1 164 102 102 VAL CB C 27.3 0.2 1 165 102 102 VAL CG1 C 23.9 0.2 1 166 102 102 VAL CG2 C 21.4 0.2 1 167 102 102 VAL N N 123.1 0.2 1 168 103 103 PRO C C 179.0 0.2 1 169 103 103 PRO CA C 65.3 0.2 1 170 103 103 PRO CB C 31.7 0.2 1 171 103 103 PRO CD C 50.9 0.2 1 172 103 103 PRO N N 135.0 0.2 1 173 104 104 LEU C C 177.7 0.2 1 174 104 104 LEU CA C 58.4 0.2 1 175 104 104 LEU CB C 41.3 0.2 1 176 104 104 LEU CD1 C 26.8 0.2 1 177 104 104 LEU CG C 27.3 0.2 1 178 104 104 LEU N N 114.7 0.2 1 179 105 105 LEU C C 180.2 0.2 1 180 105 105 LEU CA C 58.3 0.2 1 181 105 105 LEU CB C 43.2 0.2 1 182 105 105 LEU CD1 C 26.6 0.2 1 183 105 105 LEU CD2 C 25.6 0.2 1 184 105 105 LEU CG C 27.3 0.2 1 185 105 105 LEU N N 118.9 0.2 1 186 106 106 ILE C C 178.8 0.2 1 187 106 106 ILE CA C 61.7 0.2 1 188 106 106 ILE CB C 39.4 0.2 1 189 106 106 ILE CD1 C 14.8 0.2 1 190 106 106 ILE CG1 C 30.8 0.2 1 191 106 106 ILE CG2 C 20.8 0.2 1 192 106 106 ILE N N 117.2 0.2 1 193 107 107 CYS C C 177.3 0.2 1 194 107 107 CYS CA C 63.9 0.2 1 195 107 107 CYS CB C 26.6 0.2 1 196 107 107 CYS N N 119.3 0.2 1 197 108 108 GLU C C 178.6 0.2 1 198 108 108 GLU CA C 58.9 0.2 1 199 108 108 GLU CB C 28.3 0.2 1 200 108 108 GLU CG C 30.6 0.2 1 201 108 108 GLU N N 120.7 0.2 1 202 109 109 PHE C C 177.6 0.2 1 203 109 109 PHE CA C 63.9 0.2 1 204 109 109 PHE CB C 39.3 0.2 1 205 109 109 PHE N N 115.3 0.2 1 206 110 110 TYR C C 175.7 0.2 1 207 110 110 TYR CA C 62.1 0.2 1 208 110 110 TYR CB C 38.4 0.2 1 209 110 110 TYR N N 114.0 0.2 1 210 111 111 LEU C C 180.6 0.2 1 211 111 111 LEU CA C 58.5 0.2 1 212 111 111 LEU CB C 41.2 0.2 1 213 111 111 LEU CD1 C 26.6 0.2 1 214 111 111 LEU CD2 C 22.8 0.2 1 215 111 111 LEU N N 118.4 0.2 1 216 112 112 ILE C C 177.0 0.2 1 217 112 112 ILE CA C 64.6 0.2 1 218 112 112 ILE CB C 38.2 0.2 1 219 112 112 ILE CD1 C 15.8 0.2 1 220 112 112 ILE CG1 C 26.5 0.2 1 221 112 112 ILE CG2 C 18.4 0.2 1 222 112 112 ILE N N 113.7 0.2 1 223 113 113 LEU C C 178.7 0.2 1 224 113 113 LEU CA C 57.3 0.2 1 225 113 113 LEU CB C 41.7 0.2 1 226 113 113 LEU CD1 C 26.5 0.2 1 227 113 113 LEU CD2 C 21.4 0.2 1 228 113 113 LEU CG C 26.7 0.2 1 229 113 113 LEU N N 119.7 0.2 1 230 114 114 ALA C C 179.1 0.2 1 231 114 114 ALA CA C 53.9 0.2 1 232 114 114 ALA CB C 16.7 0.2 1 233 114 114 ALA N N 122.9 0.2 1 234 115 115 ALA C C 177.7 0.2 1 235 115 115 ALA CA C 53.3 0.2 1 236 115 115 ALA CB C 15.5 0.2 1 237 115 115 ALA N N 118.4 0.2 1 238 116 116 ALA C C 177.7 0.2 1 239 116 116 ALA CA C 53.0 0.2 1 240 116 116 ALA CB C 23.9 0.2 1 241 116 116 ALA N N 118.2 0.2 1 242 117 117 THR N N 114.8 0.2 1 243 126 126 LYS C C 178.6 0.2 1 244 126 126 LYS CA C 60.6 0.2 1 245 126 126 LYS CB C 34.4 0.2 1 246 126 126 LYS CD C 30.4 0.2 1 247 126 126 LYS CE C 42.7 0.2 1 248 126 126 LYS CG C 26.6 0.2 1 249 126 126 LYS N N 117.0 0.2 1 250 126 126 LYS NZ N 33.4 0.2 1 251 127 127 LEU C C 178.5 0.2 1 252 127 127 LEU CA C 57.3 0.2 1 253 127 127 LEU CB C 40.9 0.2 1 254 127 127 LEU CD2 C 20.1 0.2 1 255 127 127 LEU CG C 26.1 0.2 1 256 127 127 LEU N N 115.6 0.2 1 257 128 128 LEU C C 178.7 0.2 1 258 128 128 LEU CA C 58.3 0.2 1 259 128 128 LEU CB C 41.7 0.2 1 260 128 128 LEU CD1 C 26.8 0.2 1 261 128 128 LEU CD2 C 23.9 0.2 1 262 128 128 LEU CG C 27.2 0.2 1 263 128 128 LEU N N 120.5 0.2 1 264 129 129 VAL C C 177.7 0.2 1 265 129 129 VAL CA C 67.5 0.2 1 266 129 129 VAL CB C 31.2 0.2 1 267 129 129 VAL CG1 C 23.8 0.2 1 268 129 129 VAL CG2 C 22.6 0.2 1 269 129 129 VAL N N 116.3 0.2 1 270 130 130 GLY C C 175.3 0.2 1 271 130 130 GLY CA C 48.1 0.2 1 272 130 130 GLY N N 105.7 0.2 1 273 131 131 SER C C 175.7 0.2 1 274 131 131 SER CA C 63.3 0.2 1 275 131 131 SER CB C 62.7 0.2 1 276 131 131 SER N N 118.2 0.2 1 277 132 132 LEU C C 178.8 0.2 1 278 132 132 LEU CA C 58.0 0.2 1 279 132 132 LEU CB C 42.2 0.2 1 280 132 132 LEU CD1 C 25.7 0.2 1 281 132 132 LEU CD2 C 22.8 0.2 1 282 132 132 LEU CG C 26.8 0.2 1 283 132 132 LEU N N 122.8 0.2 1 284 133 133 VAL C C 177.0 0.2 1 285 133 133 VAL CA C 68.1 0.2 1 286 133 133 VAL CB C 31.4 0.2 1 287 133 133 VAL CG1 C 24.0 0.2 1 288 133 133 VAL CG2 C 22.4 0.2 1 289 133 133 VAL N N 119.5 0.2 1 290 134 134 MET C C 176.8 0.2 1 291 134 134 MET CA C 59.7 0.2 1 292 134 134 MET CB C 35.0 0.2 1 293 134 134 MET CG C 30.2 0.2 1 294 134 134 MET N N 117.3 0.2 1 295 135 135 LEU C C 178.9 0.2 1 296 135 135 LEU CA C 57.3 0.2 1 297 135 135 LEU CB C 45.2 0.2 1 298 135 135 LEU CD1 C 27.7 0.2 1 299 135 135 LEU CD2 C 23.9 0.2 1 300 135 135 LEU CG C 26.7 0.2 1 301 135 135 LEU N N 113.9 0.2 1 302 136 136 VAL C C 178.1 0.2 1 303 136 136 VAL CA C 67.2 0.2 1 304 136 136 VAL CB C 31.3 0.2 1 305 136 136 VAL CG1 C 23.8 0.2 1 306 136 136 VAL CG2 C 21.4 0.2 1 307 136 136 VAL N N 117.9 0.2 1 308 137 137 PHE C C 177.9 0.2 1 309 137 137 PHE CA C 64.1 0.2 1 310 137 137 PHE CB C 36.8 0.2 1 311 137 137 PHE CG C 144.0 0.2 1 312 137 137 PHE N N 117.0 0.2 1 313 138 138 GLY C C 175.3 0.2 1 314 138 138 GLY CA C 49.2 0.2 1 315 138 138 GLY N N 106.2 0.2 1 316 139 139 TYR C C 176.8 0.2 1 317 139 139 TYR CA C 62.2 0.2 1 318 139 139 TYR CB C 38.0 0.2 1 319 139 139 TYR N N 121.8 0.2 1 320 140 140 MET C C 179.5 0.2 1 321 140 140 MET CA C 60.8 0.2 1 322 140 140 MET CB C 34.4 0.2 1 323 140 140 MET CG C 32.5 0.2 1 324 140 140 MET N N 115.1 0.2 1 325 141 141 GLY C C 176.3 0.2 1 326 141 141 GLY CA C 46.5 0.2 1 327 141 141 GLY N N 107.4 0.2 1 328 142 142 GLU C C 178.4 0.2 1 329 142 142 GLU CA C 61.1 0.2 1 330 142 142 GLU CB C 29.4 0.2 1 331 142 142 GLU CD C 179.0 0.2 1 332 142 142 GLU CG C 39.6 0.2 1 333 142 142 GLU N N 123.1 0.2 1 334 143 143 ALA C C 178.2 0.2 1 335 143 143 ALA CA C 51.9 0.2 1 336 143 143 ALA CB C 18.8 0.2 1 337 143 143 ALA N N 117.5 0.2 1 338 144 144 GLY C C 174.7 0.2 1 339 144 144 GLY CA C 45.8 0.2 1 340 144 144 GLY N N 106.0 0.2 1 341 145 145 ILE C C 174.6 0.2 1 342 145 145 ILE CA C 63.2 0.2 1 343 145 145 ILE CB C 39.4 0.2 1 344 145 145 ILE CD1 C 14.3 0.2 1 345 145 145 ILE CG1 C 29.0 0.2 1 346 145 145 ILE CG2 C 17.6 0.2 1 347 145 145 ILE N N 121.0 0.2 1 348 146 146 MET C C 173.8 0.2 1 349 146 146 MET CA C 52.9 0.2 1 350 146 146 MET CB C 38.0 0.2 1 351 146 146 MET CG C 32.1 0.2 1 352 146 146 MET N N 114.5 0.2 1 353 147 147 ALA C C 177.0 0.2 1 354 147 147 ALA CA C 53.3 0.2 1 355 147 147 ALA CB C 18.7 0.2 1 356 147 147 ALA N N 125.5 0.2 1 357 148 148 ALA C C 182.0 0.2 1 358 148 148 ALA CA C 55.8 0.2 1 359 148 148 ALA CB C 18.9 0.2 1 360 148 148 ALA N N 124.4 0.2 1 361 149 149 TRP C C 176.2 0.2 1 362 149 149 TRP CA C 62.9 0.2 1 363 149 149 TRP CB C 28.7 0.2 1 364 149 149 TRP CD1 C 130.5 0.2 1 365 149 149 TRP CG C 113.7 0.2 1 366 149 149 TRP N N 118.6 0.2 1 367 150 150 PRO CA C 66.5 0.2 1 368 150 150 PRO CD C 49.2 0.2 1 369 150 150 PRO N N 132.4 0.2 1 370 151 151 ALA C C 178.2 0.2 1 371 151 151 ALA CA C 56.6 0.2 1 372 151 151 ALA CB C 18.5 0.2 1 373 151 151 ALA N N 118.0 0.2 1 374 152 152 PHE C C 177.5 0.2 1 375 152 152 PHE CA C 60.8 0.2 1 376 152 152 PHE CB C 40.2 0.2 1 377 152 152 PHE N N 116.7 0.2 1 378 153 153 ILE C C 177.1 0.2 1 379 153 153 ILE CA C 65.2 0.2 1 380 153 153 ILE CB C 37.9 0.2 1 381 153 153 ILE CD1 C 13.4 0.2 1 382 153 153 ILE CG1 C 29.5 0.2 1 383 153 153 ILE CG2 C 17.3 0.2 1 384 153 153 ILE N N 118.5 0.2 1 385 154 154 ILE C C 177.5 0.2 1 386 154 154 ILE CA C 65.6 0.2 1 387 154 154 ILE CB C 37.1 0.2 1 388 154 154 ILE CD1 C 13.2 0.2 1 389 154 154 ILE CG1 C 29.7 0.2 1 390 154 154 ILE CG2 C 16.4 0.2 1 391 154 154 ILE N N 118.1 0.2 1 392 155 155 GLY C C 175.9 0.2 1 393 155 155 GLY CA C 48.2 0.2 1 394 155 155 GLY N N 105.5 0.2 1 395 156 156 CYS C C 177.1 0.2 1 396 156 156 CYS CA C 65.1 0.2 1 397 156 156 CYS CB C 27.5 0.2 1 398 156 156 CYS N N 119.1 0.2 1 399 157 157 LEU C C 177.8 0.2 1 400 157 157 LEU CA C 58.2 0.2 1 401 157 157 LEU CB C 41.3 0.2 1 402 157 157 LEU CD1 C 26.0 0.2 1 403 157 157 LEU CD2 C 23.3 0.2 1 404 157 157 LEU CG C 26.6 0.2 1 405 157 157 LEU N N 120.5 0.2 1 406 158 158 ALA C C 178.5 0.2 1 407 158 158 ALA CA C 55.7 0.2 1 408 158 158 ALA CB C 18.1 0.2 1 409 158 158 ALA N N 121.3 0.2 1 410 159 159 TRP C C 177.5 0.2 1 411 159 159 TRP CA C 59.4 0.2 1 412 159 159 TRP CB C 29.5 0.2 1 413 159 159 TRP CD1 C 122.7 0.2 1 414 159 159 TRP CE2 C 139.5 0.2 1 415 159 159 TRP CG C 110.8 0.2 1 416 159 159 TRP N N 119.2 0.2 1 417 160 160 VAL C C 177.2 0.2 1 418 160 160 VAL CA C 66.3 0.2 1 419 160 160 VAL CB C 31.0 0.2 1 420 160 160 VAL CG1 C 23.0 0.2 1 421 160 160 VAL CG2 C 21.9 0.2 1 422 160 160 VAL N N 116.0 0.2 1 423 161 161 TYR C C 176.3 0.2 1 424 161 161 TYR CA C 62.3 0.2 1 425 161 161 TYR CB C 38.0 0.2 1 426 161 161 TYR CD1 C 132.3 0.2 1 427 161 161 TYR CG C 129.4 0.2 1 428 161 161 TYR N N 121.3 0.2 1 429 162 162 MET C C 177.6 0.2 1 430 162 162 MET CA C 60.9 0.2 1 431 162 162 MET CB C 33.8 0.2 1 432 162 162 MET CG C 32.2 0.2 1 433 162 162 MET N N 117.2 0.2 1 434 163 163 ILE C C 177.3 0.2 1 435 163 163 ILE CA C 66.4 0.2 1 436 163 163 ILE CB C 37.5 0.2 1 437 163 163 ILE CD1 C 12.1 0.2 1 438 163 163 ILE CG1 C 28.9 0.2 1 439 163 163 ILE CG2 C 18.1 0.2 1 440 163 163 ILE N N 116.9 0.2 1 441 164 164 TYR C C 177.6 0.2 1 442 164 164 TYR CA C 62.5 0.2 1 443 164 164 TYR CB C 37.6 0.2 1 444 164 164 TYR N N 120.2 0.2 1 445 165 165 GLU C C 179.4 0.2 1 446 165 165 GLU CA C 59.2 0.2 1 447 165 165 GLU CD C 182.0 0.2 1 448 166 166 LEU C C 178.2 0.2 1 449 166 166 LEU CA C 55.7 0.2 1 450 166 166 LEU CB C 41.4 0.2 1 451 166 166 LEU CD1 C 24.4 0.2 1 452 166 166 LEU CD2 C 21.9 0.2 1 453 166 166 LEU CG C 25.4 0.2 1 454 166 166 LEU N N 118.3 0.2 1 455 167 167 TRP C C 177.1 0.2 1 456 167 167 TRP CA C 59.3 0.2 1 457 167 167 TRP CB C 30.0 0.2 1 458 167 167 TRP N N 121.7 0.2 1 459 168 168 ALA C C 177.1 0.2 1 460 168 168 ALA CA C 51.6 0.2 1 461 168 168 ALA CB C 22.7 0.2 1 462 168 168 ALA N N 117.3 0.2 1 463 169 169 GLY C C 174.6 0.2 1 464 169 169 GLY CA C 44.9 0.2 1 465 169 169 GLY N N 109.4 0.2 1 466 170 170 GLU C C 179.7 0.2 1 467 170 170 GLU CA C 59.5 0.2 1 468 170 170 GLU CB C 30.6 0.2 1 469 170 170 GLU CG C 36.2 0.2 1 470 170 170 GLU N N 125.9 0.2 1 471 171 171 GLY C C 174.2 0.2 1 472 171 171 GLY CA C 47.9 0.2 1 473 171 171 GLY N N 105.3 0.2 1 474 172 172 LYS C C 178.0 0.2 1 475 172 172 LYS CA C 57.5 0.2 1 476 172 172 LYS CB C 30.3 0.2 1 477 172 172 LYS CD C 27.8 0.2 1 478 172 172 LYS CG C 23.5 0.2 1 479 172 172 LYS N N 122.8 0.2 1 480 173 173 SER C C 176.7 0.2 1 481 173 173 SER CA C 61.8 0.2 1 482 173 173 SER CB C 62.7 0.2 1 483 173 173 SER N N 112.4 0.2 1 484 174 174 ALA C C 180.0 0.2 1 485 174 174 ALA CA C 54.4 0.2 1 486 174 174 ALA CB C 18.9 0.2 1 487 174 174 ALA N N 121.3 0.2 1 488 175 175 CYS C C 176.2 0.2 1 489 175 175 CYS CA C 61.8 0.2 1 490 175 175 CYS CB C 25.7 0.2 1 491 175 175 CYS N N 122.6 0.2 1 492 176 176 ASN C C 176.1 0.2 1 493 176 176 ASN CA C 55.0 0.2 1 494 176 176 ASN CB C 38.3 0.2 1 495 176 176 ASN CG C 175.5 0.2 1 496 176 176 ASN N N 114.3 0.2 1 497 176 176 ASN ND2 N 110.6 0.2 1 498 177 177 THR C C 173.9 0.2 1 499 177 177 THR CA C 61.5 0.2 1 500 177 177 THR CB C 70.2 0.2 1 501 177 177 THR CG2 C 21.5 0.2 1 502 177 177 THR N N 107.6 0.2 1 503 178 178 ALA C C 176.2 0.2 1 504 178 178 ALA CA C 50.7 0.2 1 505 178 178 ALA CB C 20.8 0.2 1 506 178 178 ALA N N 125.4 0.2 1 507 179 179 SER C C 172.9 0.2 1 508 179 179 SER CA C 56.9 0.2 1 509 179 179 SER CB C 62.6 0.2 1 510 179 179 SER N N 117.3 0.2 1 511 180 180 PRO C C 179.3 0.2 1 512 180 180 PRO CA C 66.1 0.2 1 513 180 180 PRO CB C 31.8 0.2 1 514 180 180 PRO CD C 50.3 0.2 1 515 180 180 PRO CG C 28.0 0.2 1 516 180 180 PRO N N 135.0 0.2 1 517 181 181 ALA C C 180.8 0.2 1 518 181 181 ALA CA C 55.2 0.2 1 519 181 181 ALA CB C 18.2 0.2 1 520 181 181 ALA N N 119.3 0.2 1 521 182 182 VAL C C 177.2 0.2 1 522 182 182 VAL CA C 66.8 0.2 1 523 182 182 VAL CB C 30.8 0.2 1 524 182 182 VAL CG1 C 24.0 0.2 1 525 182 182 VAL CG2 C 21.0 0.2 1 526 182 182 VAL N N 121.2 0.2 1 527 183 183 GLN C C 178.5 0.2 1 528 183 183 GLN CA C 60.1 0.2 1 529 183 183 GLN CB C 27.6 0.2 1 530 183 183 GLN CD C 180.7 0.2 1 531 183 183 GLN CG C 34.0 0.2 1 532 183 183 GLN N N 119.0 0.2 1 533 183 183 GLN NE2 N 112.3 0.2 1 534 184 184 SER C C 177.4 0.2 1 535 184 184 SER CA C 61.5 0.2 1 536 184 184 SER CB C 63.0 0.2 1 537 184 184 SER N N 112.3 0.2 1 538 185 185 ALA C C 177.6 0.2 1 539 185 185 ALA CA C 55.5 0.2 1 540 185 185 ALA CB C 18.1 0.2 1 541 185 185 ALA N N 124.6 0.2 1 542 186 186 TYR C C 177.7 0.2 1 543 186 186 TYR CA C 61.5 0.2 1 544 186 186 TYR CB C 39.8 0.2 1 545 186 186 TYR N N 118.7 0.2 1 546 187 187 ASN C C 176.8 0.2 1 547 187 187 ASN CA C 56.6 0.2 1 548 187 187 ASN CB C 38.5 0.2 1 549 187 187 ASN CG C 175.6 0.2 1 550 187 187 ASN N N 117.3 0.2 1 551 188 188 THR C C 176.5 0.2 1 552 188 188 THR CA C 68.2 0.2 1 553 188 188 THR CG2 C 22.7 0.2 1 554 188 188 THR N N 117.0 0.2 1 555 189 189 MET C C 178.8 0.2 1 556 189 189 MET CA C 60.0 0.2 1 557 189 189 MET CB C 35.9 0.2 1 558 189 189 MET CE C 20.0 0.2 1 559 189 189 MET CG C 30.2 0.2 1 560 189 189 MET N N 120.0 0.2 1 561 190 190 MET CA C 59.4 0.2 1 562 190 190 MET CB C 32.8 0.2 1 563 190 190 MET CG C 31.1 0.2 1 564 190 190 MET N N 120.1 0.2 1 565 193 193 ILE C C 174.9 0.2 1 566 193 193 ILE CA C 62.3 0.2 1 567 193 193 ILE CB C 36.5 0.2 1 568 193 193 ILE CG1 C 28.3 0.2 1 569 193 193 ILE CG2 C 19.0 0.2 1 570 194 194 ILE C C 174.4 0.2 1 571 194 194 ILE CA C 64.3 0.2 1 572 194 194 ILE CB C 39.7 0.2 1 573 194 194 ILE CD1 C 14.5 0.2 1 574 194 194 ILE CG1 C 28.0 0.2 1 575 194 194 ILE CG2 C 16.6 0.2 1 576 194 194 ILE N N 117.5 0.2 1 577 195 195 PHE C C 177.2 0.2 1 578 195 195 PHE CA C 61.3 0.2 1 579 195 195 PHE CB C 40.7 0.2 1 580 195 195 PHE CD1 C 131.9 0.2 1 581 195 195 PHE CG C 141.1 0.2 1 582 195 195 PHE N N 111.0 0.2 1 583 196 196 GLY C C 178.6 0.2 1 584 196 196 GLY CA C 47.9 0.2 1 585 196 196 GLY N N 106.9 0.2 1 586 197 197 TRP C C 176.8 0.2 1 587 197 197 TRP CA C 57.8 0.2 1 588 197 197 TRP N N 119.0 0.2 1 589 198 198 ALA C C 177.1 0.2 1 590 198 198 ALA CA C 54.4 0.2 1 591 198 198 ALA CB C 18.1 0.2 1 592 198 198 ALA N N 118.8 0.2 1 593 199 199 ILE C C 175.1 0.2 1 594 199 199 ILE CA C 62.1 0.2 1 595 199 199 ILE CB C 38.1 0.2 1 596 199 199 ILE N N 110.7 0.2 1 597 201 201 PRO C C 179.3 0.2 1 598 201 201 PRO CA C 65.7 0.2 1 599 201 201 PRO CB C 30.4 0.2 1 600 201 201 PRO CD C 49.3 0.2 1 601 201 201 PRO CG C 27.4 0.2 1 602 201 201 PRO N N 135.1 0.2 1 603 202 202 VAL C C 178.0 0.2 1 604 202 202 VAL CA C 67.9 0.2 1 605 202 202 VAL CB C 31.2 0.2 1 606 202 202 VAL CG1 C 23.7 0.2 1 607 202 202 VAL CG2 C 21.3 0.2 1 608 202 202 VAL N N 118.2 0.2 1 609 203 203 GLY C C 177.5 0.2 1 610 203 203 GLY CA C 48.1 0.2 1 611 203 203 GLY N N 112.1 0.2 1 612 204 204 TYR C C 178.0 0.2 1 613 204 204 TYR CA C 58.2 0.2 1 614 204 204 TYR CB C 41.7 0.2 1 615 205 205 PHE C C 178.3 0.2 1 616 205 205 PHE CA C 58.7 0.2 1 617 205 205 PHE CB C 36.3 0.2 1 618 205 205 PHE N N 118.2 0.2 1 619 206 206 THR C C 175.7 0.2 1 620 206 206 THR CA C 62.1 0.2 1 621 206 206 THR CB C 72.5 0.2 1 622 206 206 THR CG2 C 21.6 0.2 1 623 206 206 THR N N 105.2 0.2 1 624 207 207 GLY C C 171.4 0.2 1 625 207 207 GLY CA C 45.5 0.2 1 626 207 207 GLY N N 112.2 0.2 1 627 208 208 TYR C C 174.6 0.2 1 628 208 208 TYR CA C 51.8 0.2 1 629 208 208 TYR N N 117.9 0.2 1 630 224 224 ASN C C 177.2 0.2 1 631 224 224 ASN CA C 55.0 0.2 1 632 224 224 ASN CB C 36.5 0.2 1 633 224 224 ASN CG C 173.6 0.2 1 634 224 224 ASN N N 120.1 0.2 1 635 224 224 ASN ND2 N 99.4 0.2 1 636 225 225 LEU C C 179.8 0.2 1 637 225 225 LEU CA C 57.2 0.2 1 638 225 225 LEU CB C 41.2 0.2 1 639 225 225 LEU CD2 C 21.8 0.2 1 640 225 225 LEU CG C 26.6 0.2 1 641 225 225 LEU N N 115.9 0.2 1 642 226 226 ALA C C 180.0 0.2 1 643 226 226 ALA CA C 54.9 0.2 1 644 226 226 ALA CB C 18.4 0.2 1 645 226 226 ALA N N 119.4 0.2 1 646 227 227 ASP C C 180.9 0.2 1 647 227 227 ASP CA C 58.3 0.2 1 648 227 227 ASP CB C 40.7 0.2 1 649 227 227 ASP CG C 178.1 0.2 1 650 227 227 ASP N N 119.0 0.2 1 651 228 228 PHE C C 176.6 0.2 1 652 228 228 PHE CA C 63.2 0.2 1 653 228 228 PHE CB C 38.3 0.2 1 654 228 228 PHE N N 119.8 0.2 1 655 229 229 VAL C C 176.2 0.2 1 656 229 229 VAL CA C 64.4 0.2 1 657 229 229 VAL CB C 33.5 0.2 1 658 229 229 VAL CG1 C 22.5 0.2 1 659 229 229 VAL CG2 C 21.4 0.2 1 660 229 229 VAL N N 116.9 0.2 1 661 230 230 ASN C C 175.5 0.2 1 662 230 230 ASN CA C 55.0 0.2 1 663 230 230 ASN CB C 38.7 0.2 1 664 230 230 ASN CG C 171.2 0.2 1 665 230 230 ASN N N 114.1 0.2 1 666 230 230 ASN ND2 N 108.3 0.2 1 667 231 231 LYS C C 176.6 0.2 1 668 231 231 LYS CA C 59.3 0.2 1 669 231 231 LYS CB C 36.1 0.2 1 670 231 231 LYS CD C 30.4 0.2 1 671 231 231 LYS CG C 29.0 0.2 1 672 231 231 LYS N N 112.8 0.2 1 673 232 232 ILE C C 176.5 0.2 1 674 232 232 ILE CA C 67.5 0.2 1 675 232 232 ILE CB C 37.1 0.2 1 676 232 232 ILE CD1 C 13.7 0.2 1 677 232 232 ILE CG1 C 28.8 0.2 1 678 232 232 ILE CG2 C 16.2 0.2 1 679 232 232 ILE N N 119.4 0.2 1 680 233 233 LEU C C 177.6 0.2 1 681 233 233 LEU CA C 58.9 0.2 1 682 233 233 LEU CB C 41.4 0.2 1 683 233 233 LEU CD1 C 27.4 0.2 1 684 233 233 LEU CD2 C 26.4 0.2 1 685 233 233 LEU N N 119.1 0.2 1 686 234 234 PHE C C 175.6 0.2 1 687 234 234 PHE CA C 62.7 0.2 1 688 234 234 PHE CB C 40.8 0.2 1 689 234 234 PHE N N 115.2 0.2 1 690 235 235 GLY C C 176.4 0.2 1 691 235 235 GLY CA C 47.6 0.2 1 692 235 235 GLY N N 100.8 0.2 1 693 236 236 LEU C C 179.3 0.2 1 694 236 236 LEU CA C 58.5 0.2 1 695 236 236 LEU CB C 42.2 0.2 1 696 236 236 LEU CD1 C 26.6 0.2 1 697 236 236 LEU CD2 C 24.0 0.2 1 698 236 236 LEU CG C 26.9 0.2 1 699 236 236 LEU N N 123.6 0.2 1 700 237 237 ILE C C 178.7 0.2 1 701 237 237 ILE CA C 64.5 0.2 1 702 237 237 ILE CB C 37.0 0.2 1 703 237 237 ILE CG1 C 28.4 0.2 1 704 237 237 ILE CG2 C 17.8 0.2 1 705 237 237 ILE N N 121.5 0.2 1 706 238 238 ILE C C 176.5 0.2 1 707 238 238 ILE CA C 65.1 0.2 1 708 238 238 ILE CB C 37.4 0.2 1 709 238 238 ILE CD1 C 14.8 0.2 1 710 238 238 ILE CG1 C 29.5 0.2 1 711 238 238 ILE CG2 C 17.1 0.2 1 712 238 238 ILE N N 122.4 0.2 1 713 239 239 TRP C C 175.5 0.2 1 714 239 239 TRP CA C 62.6 0.2 1 715 239 239 TRP CB C 28.3 0.2 1 716 239 239 TRP CG C 110.7 0.2 1 717 239 239 TRP N N 119.8 0.2 1 718 240 240 ASN C C 176.7 0.2 1 719 240 240 ASN CA C 57.1 0.2 1 720 240 240 ASN CB C 40.1 0.2 1 721 240 240 ASN CG C 174.7 0.2 1 722 240 240 ASN N N 114.4 0.2 1 723 241 241 VAL C C 174.6 0.2 1 724 241 241 VAL CA C 64.5 0.2 1 725 241 241 VAL CB C 30.7 0.2 1 726 241 241 VAL CG1 C 25.2 0.2 1 727 241 241 VAL CG2 C 19.5 0.2 1 728 241 241 VAL N N 117.7 0.2 1 729 242 242 ALA C C 180.6 0.2 1 730 242 242 ALA CA C 54.3 0.2 1 731 242 242 ALA CB C 19.7 0.2 1 732 242 242 ALA N N 126.2 0.2 1 733 248 248 ASN C C 173.7 0.2 1 734 248 248 ASN CA C 52.9 0.2 1 735 248 248 ASN CB C 38.0 0.2 1 736 248 248 ASN N N 114.3 0.2 1 737 249 249 ALA C C 177.2 0.2 1 738 249 249 ALA CA C 53.4 0.2 1 739 249 249 ALA CB C 18.7 0.2 1 740 249 249 ALA N N 125.7 0.2 1 stop_ save_