data_18595 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _BMRB_accession_number 18595 _BMRB_flat_file_name bmr18595.str _Entry_type original _Submission_date 2012-07-16 _Accession_date 2012-07-16 _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 Wang Shenlin . . 2 Shi Lichi S. . 3 Brown Leonid S. . 4 Ladizhansky Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 963 "15N chemical shifts" 223 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-22 update author 'update entry citation' 2012-08-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17064 'incomplete assignments of the same protein' stop_ _Original_release_date 2012-07-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22983928 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Shenlin . . 2 Shi Lichi . . 3 Okitsu Takashi . . 4 Wada Akimori . . 5 Brown Leonid S. . 6 Ladizhansky Vladimir . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 253 _Page_last 256 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ASR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anabeana sensory rhodopsin' $ASR stop_ _System_molecular_weight 27504.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ASR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASR _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 235 _Mol_residue_sequence ; MNLESLLHWIYVAGMTIGAL HFWSLSRNPRGVPQYEYLVA MFIPIWSGLAYMAMAIDQGK VEAAGQIAHYARYIDWMVTT PLLLLSLSWTAMQFIKKDWT LIGFLMSTQIVVITSGLIAD LSERDWVRYLWYICGVCAFL IILWGIWNPLRAKTRTQSSE LANLYDKLVTYFTVLWIGYP IVWIIGPSGFGWINQTIDTF LFCLLPFFSKVGFSFLDLHG LRNLNDSRQHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 LEU 4 4 GLU 5 5 SER 6 6 LEU 7 7 LEU 8 8 HIS 9 9 TRP 10 10 ILE 11 11 TYR 12 12 VAL 13 13 ALA 14 14 GLY 15 15 MET 16 16 THR 17 17 ILE 18 18 GLY 19 19 ALA 20 20 LEU 21 21 HIS 22 22 PHE 23 23 TRP 24 24 SER 25 25 LEU 26 26 SER 27 27 ARG 28 28 ASN 29 29 PRO 30 30 ARG 31 31 GLY 32 32 VAL 33 33 PRO 34 34 GLN 35 35 TYR 36 36 GLU 37 37 TYR 38 38 LEU 39 39 VAL 40 40 ALA 41 41 MET 42 42 PHE 43 43 ILE 44 44 PRO 45 45 ILE 46 46 TRP 47 47 SER 48 48 GLY 49 49 LEU 50 50 ALA 51 51 TYR 52 52 MET 53 53 ALA 54 54 MET 55 55 ALA 56 56 ILE 57 57 ASP 58 58 GLN 59 59 GLY 60 60 LYS 61 61 VAL 62 62 GLU 63 63 ALA 64 64 ALA 65 65 GLY 66 66 GLN 67 67 ILE 68 68 ALA 69 69 HIS 70 70 TYR 71 71 ALA 72 72 ARG 73 73 TYR 74 74 ILE 75 75 ASP 76 76 TRP 77 77 MET 78 78 VAL 79 79 THR 80 80 THR 81 81 PRO 82 82 LEU 83 83 LEU 84 84 LEU 85 85 LEU 86 86 SER 87 87 LEU 88 88 SER 89 89 TRP 90 90 THR 91 91 ALA 92 92 MET 93 93 GLN 94 94 PHE 95 95 ILE 96 96 LYS 97 97 LYS 98 98 ASP 99 99 TRP 100 100 THR 101 101 LEU 102 102 ILE 103 103 GLY 104 104 PHE 105 105 LEU 106 106 MET 107 107 SER 108 108 THR 109 109 GLN 110 110 ILE 111 111 VAL 112 112 VAL 113 113 ILE 114 114 THR 115 115 SER 116 116 GLY 117 117 LEU 118 118 ILE 119 119 ALA 120 120 ASP 121 121 LEU 122 122 SER 123 123 GLU 124 124 ARG 125 125 ASP 126 126 TRP 127 127 VAL 128 128 ARG 129 129 TYR 130 130 LEU 131 131 TRP 132 132 TYR 133 133 ILE 134 134 CYS 135 135 GLY 136 136 VAL 137 137 CYS 138 138 ALA 139 139 PHE 140 140 LEU 141 141 ILE 142 142 ILE 143 143 LEU 144 144 TRP 145 145 GLY 146 146 ILE 147 147 TRP 148 148 ASN 149 149 PRO 150 150 LEU 151 151 ARG 152 152 ALA 153 153 LYS 154 154 THR 155 155 ARG 156 156 THR 157 157 GLN 158 158 SER 159 159 SER 160 160 GLU 161 161 LEU 162 162 ALA 163 163 ASN 164 164 LEU 165 165 TYR 166 166 ASP 167 167 LYS 168 168 LEU 169 169 VAL 170 170 THR 171 171 TYR 172 172 PHE 173 173 THR 174 174 VAL 175 175 LEU 176 176 TRP 177 177 ILE 178 178 GLY 179 179 TYR 180 180 PRO 181 181 ILE 182 182 VAL 183 183 TRP 184 184 ILE 185 185 ILE 186 186 GLY 187 187 PRO 188 188 SER 189 189 GLY 190 190 PHE 191 191 GLY 192 192 TRP 193 193 ILE 194 194 ASN 195 195 GLN 196 196 THR 197 197 ILE 198 198 ASP 199 199 THR 200 200 PHE 201 201 LEU 202 202 PHE 203 203 CYS 204 204 LEU 205 205 LEU 206 206 PRO 207 207 PHE 208 208 PHE 209 209 SER 210 210 LYS 211 211 VAL 212 212 GLY 213 213 PHE 214 214 SER 215 215 PHE 216 216 LEU 217 217 ASP 218 218 LEU 219 219 HIS 220 220 GLY 221 221 LEU 222 222 ARG 223 223 ASN 224 224 LEU 225 225 ASN 226 226 ASP 227 227 SER 228 228 ARG 229 229 GLN 230 230 HIS 231 231 HIS 232 232 HIS 233 233 HIS 234 234 HIS 235 235 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $ASR Cyanobacteria 1172 Bacteria . Anabaena variabilis PCC7120 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ASR 'recombinant technology' . Escherichia coli . Codonplus-RIL pMS107 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type liposome _Details 'U-13C, U-15N anabaena sensory rhodospin in DMPC/DMPA lipids at the ratio of 2:1 (w/w)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASR . w/w '[U-100% 13C; U-100% 15N]' DMPC . w/w '[U-100% 13C; U-100% 15N]' DMPA . w/w '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type liposome _Details '2-13C glycerol, U-15N labeled anabaena sensory rhodopsin in DMPC/DMPA lipids at the ratio of 2:1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASR . w/w 'alternately labeled by 2-13C glycerol and U- 15N' DMPC . w/w '[U-100% 13C; U-100% 15N]' DMPA . w/w '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type liposome _Details '1,3-C13 glycerol labeled and U-15N labeled anabaena sensory rhodopsin in DMPC/DMPA lipids at the ratio of 2:1 (w/w)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASR . w/w '1,3-C13-glycerol labeled and U-N15 labeled' DMPC . w/w '[U-100% 13C; U-100% 15N]' DMPA . w/w '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 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_NCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_2D_NCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _Sample_label $sample_1 save_ save_3D_CONCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONCA' _Sample_label $sample_1 save_ save_3D_NCACX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_2D_CC_(DARR)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC (DARR)' _Sample_label $sample_1 save_ save_2D_NCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_2 save_ save_2D_NCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _Sample_label $sample_2 save_ save_3D_NCACX_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ save_3D_NCOCX_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_2 save_ save_2D_CC_(DARR)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC (DARR)' _Sample_label $sample_2 save_ save_2D_NCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_3 save_ save_2D_NCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCO' _Sample_label $sample_3 save_ save_3D_NCACX_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_3 save_ save_3D_NCOCX_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_3 save_ save_2D_CC_(DARR)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CC (DARR)' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 9.0 . pH pressure 1 . atm temperature 278 . 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 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NCA' '2D NCO' '3D CONCA' '3D NCACX' '3D NCOCX' '2D CC (DARR)' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Anabeana sensory rhodopsin' _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 6 6 LEU C C 176.803 0.10 1 2 6 6 LEU CA C 57.357 0.10 1 3 6 6 LEU CB C 42.826 0.10 1 4 6 6 LEU CG C 26.421 0.10 1 5 6 6 LEU CD1 C 25.061 0.10 2 6 6 6 LEU CD2 C 24.326 0.10 2 7 6 6 LEU N N 117.053 0.10 1 8 7 7 LEU C C 178.339 0.10 1 9 7 7 LEU CA C 58.457 0.10 1 10 7 7 LEU CB C 40.985 0.10 1 11 7 7 LEU CG C 26.826 0.10 1 12 7 7 LEU CD1 C 23.417 0.10 2 13 7 7 LEU CD2 C 27.638 0.10 2 14 7 7 LEU N N 117.506 0.10 1 15 8 8 HIS C C 177.915 0.10 1 16 8 8 HIS CA C 63.371 0.10 1 17 8 8 HIS CB C 28.67 0.10 1 18 8 8 HIS CG C 129.064 0.10 1 19 8 8 HIS CD2 C 127.027 0.10 1 20 8 8 HIS CE1 C 137.238 0.10 1 21 8 8 HIS N N 115.952 0.10 1 22 8 8 HIS ND1 N 168.8 0.10 1 23 9 9 TRP C C 179.488 0.10 1 24 9 9 TRP CA C 60.892 0.10 1 25 9 9 TRP CB C 30.491 0.10 1 26 9 9 TRP CG C 111.757 0.10 1 27 9 9 TRP CD1 C 127.655 0.10 1 28 9 9 TRP CD2 C 129.16 0.10 1 29 9 9 TRP CE2 C 139.5 0.10 1 30 9 9 TRP CE3 C 120.2 0.10 1 31 9 9 TRP CZ2 C 114.6 0.10 1 32 9 9 TRP CZ3 C 121.1 0.10 1 33 9 9 TRP CH2 C 124.1 0.10 1 34 9 9 TRP N N 120.016 0.10 1 35 10 10 ILE C C 177.538 0.10 1 36 10 10 ILE CA C 65.97 0.10 1 37 10 10 ILE CB C 37.435 0.10 1 38 10 10 ILE CG1 C 29.844 0.10 1 39 10 10 ILE CG2 C 17.99 0.10 1 40 10 10 ILE N N 120.107 0.10 1 41 11 11 TYR C C 177.319 0.10 1 42 11 11 TYR CA C 63.564 0.10 1 43 11 11 TYR CB C 38.402 0.10 1 44 11 11 TYR CG C 128.723 0.10 1 45 11 11 TYR CE1 C 119.09 0.10 3 46 11 11 TYR CE2 C 118.012 0.10 3 47 11 11 TYR CZ C 157.709 0.10 1 48 11 11 TYR N N 121.428 0.10 1 49 12 12 VAL C C 179.824 0.10 1 50 12 12 VAL CA C 68.022 0.10 1 51 12 12 VAL CB C 31.889 0.10 1 52 12 12 VAL CG1 C 22.405 0.10 2 53 12 12 VAL CG2 C 21.615 0.10 2 54 12 12 VAL N N 121.592 0.10 1 55 13 13 ALA C C 179.215 0.10 1 56 13 13 ALA CA C 55.88 0.10 1 57 13 13 ALA CB C 17.993 0.10 1 58 13 13 ALA N N 124.293 0.10 1 59 14 14 GLY C C 175.579 0.10 1 60 14 14 GLY CA C 48.072 0.10 1 61 14 14 GLY N N 106.458 0.10 1 62 15 15 MET C C 178.121 0.10 1 63 15 15 MET CA C 56.823 0.10 1 64 15 15 MET CB C 33.545 0.10 1 65 15 15 MET CG C 35.281 0.10 1 66 15 15 MET CE C 22.159 0.10 1 67 15 15 MET N N 121.239 0.10 1 68 16 16 THR C C 176.107 0.10 1 69 16 16 THR CA C 68.015 0.10 1 70 16 16 THR CG2 C 21.026 0.10 1 71 16 16 THR N N 116.883 0.10 1 72 17 17 ILE C C 177.781 0.10 1 73 17 17 ILE CA C 65.43 0.10 1 74 17 17 ILE CB C 38.217 0.10 1 75 17 17 ILE CG1 C 29.548 0.10 1 76 17 17 ILE CG2 C 21.01 0.10 1 77 17 17 ILE CD1 C 17.392 0.10 1 78 17 17 ILE N N 119.568 0.10 1 79 18 18 GLY C C 172.657 0.10 1 80 18 18 GLY CA C 47.927 0.10 1 81 18 18 GLY N N 105.309 0.10 1 82 19 19 ALA C C 179.789 0.10 1 83 19 19 ALA CA C 56.558 0.10 1 84 19 19 ALA CB C 18.142 0.10 1 85 19 19 ALA N N 122.472 0.10 1 86 20 20 LEU C C 179.525 0.10 1 87 20 20 LEU CA C 57.956 0.10 1 88 20 20 LEU CB C 42.62 0.10 1 89 20 20 LEU CG C 27.095 0.10 1 90 20 20 LEU N N 115.884 0.10 1 91 21 21 HIS C C 177.956 0.10 1 92 21 21 HIS CA C 59.333 0.10 1 93 21 21 HIS CB C 28.09 0.10 1 94 21 21 HIS CG C 128.012 0.10 1 95 21 21 HIS CD2 C 130.455 0.10 1 96 21 21 HIS CE1 C 140.282 0.10 1 97 21 21 HIS N N 120.078 0.10 1 98 22 22 PHE C C 178.15 0.10 1 99 22 22 PHE CA C 58.406 0.10 1 100 22 22 PHE CB C 37.054 0.10 1 101 22 22 PHE CG C 137.821 0.10 1 102 22 22 PHE N N 120.005 0.10 1 103 24 24 SER C C 178.401 0.10 1 104 24 24 SER CA C 61.849 0.10 1 105 24 24 SER N N 116.54 0.10 1 106 25 25 LEU C C 179.013 0.10 1 107 25 25 LEU CA C 57.187 0.10 1 108 25 25 LEU CB C 42.291 0.10 1 109 25 25 LEU CG C 26.04 0.10 1 110 25 25 LEU CD1 C 24.695 0.10 2 111 25 25 LEU CD2 C 20.74 0.10 2 112 25 25 LEU N N 120.051 0.10 1 113 26 26 SER C C 174.615 0.10 1 114 26 26 SER CA C 60.601 0.10 1 115 26 26 SER CB C 63.21 0.10 1 116 26 26 SER N N 116.157 0.10 1 117 28 28 ASN C C 173.385 0.10 1 118 28 28 ASN CA C 50.911 0.10 1 119 28 28 ASN CB C 38.95 0.10 1 120 28 28 ASN CG C 178.279 0.10 1 121 28 28 ASN N N 115.648 0.10 1 122 29 29 PRO C C 178.422 0.10 1 123 29 29 PRO CA C 64.861 0.10 1 124 29 29 PRO CB C 33.548 0.10 1 125 29 29 PRO CG C 26.792 0.10 1 126 29 29 PRO CD C 49.89 0.10 1 127 29 29 PRO N N 130.411 0.10 1 128 31 31 GLY C C 173.927 0.10 1 129 31 31 GLY CA C 45.584 0.10 1 130 31 31 GLY N N 102.969 0.10 1 131 32 32 VAL C C 174.011 0.10 1 132 32 32 VAL CA C 59.877 0.10 1 133 32 32 VAL CB C 32.509 0.10 1 134 32 32 VAL CG1 C 22.946 0.10 2 135 32 32 VAL CG2 C 19.886 0.10 2 136 32 32 VAL N N 125.123 0.10 1 137 33 33 PRO C C 177.681 0.10 1 138 33 33 PRO CA C 62.207 0.10 1 139 33 33 PRO CB C 32.252 0.10 1 140 33 33 PRO CG C 27.339 0.10 1 141 33 33 PRO CD C 51.116 0.10 1 142 33 33 PRO N N 140.125 0.10 1 143 35 35 TYR C C 178.285 0.10 1 144 35 35 TYR CA C 62.541 0.10 1 145 35 35 TYR CG C 129.881 0.10 1 146 35 35 TYR N N 117.017 0.10 1 147 36 36 GLU C C 179.157 0.10 1 148 36 36 GLU CA C 61.198 0.10 1 149 36 36 GLU CB C 29.812 0.10 1 150 36 36 GLU CG C 38.52 0.10 1 151 36 36 GLU CD C 182.687 0.10 1 152 36 36 GLU N N 117.437 0.10 1 153 37 37 TYR C C 175.692 0.10 1 154 37 37 TYR CA C 63.543 0.10 1 155 37 37 TYR CG C 131.821 0.10 1 156 37 37 TYR N N 115.785 0.10 1 157 38 38 LEU C C 178.053 0.10 1 158 38 38 LEU CA C 58.961 0.10 1 159 38 38 LEU CB C 41.632 0.10 1 160 38 38 LEU CG C 27.321 0.10 1 161 38 38 LEU CD1 C 24.329 0.10 2 162 38 38 LEU N N 121.177 0.10 1 163 39 39 VAL C C 176.303 0.10 1 164 39 39 VAL CA C 68.599 0.10 1 165 39 39 VAL CB C 32.818 0.10 1 166 39 39 VAL CG1 C 26.149 0.10 2 167 39 39 VAL CG2 C 23.586 0.10 2 168 39 39 VAL N N 118.308 0.10 1 169 40 40 ALA C C 177.96 0.10 1 170 40 40 ALA CA C 55.208 0.10 1 171 40 40 ALA CB C 19.008 0.10 1 172 40 40 ALA N N 119.038 0.10 1 173 41 41 MET C C 176.612 0.10 1 174 41 41 MET CA C 59.066 0.10 1 175 41 41 MET CB C 34.458 0.10 1 176 41 41 MET CG C 35.255 0.10 1 177 41 41 MET N N 110.98 0.10 1 178 42 42 PHE C C 177.352 0.10 1 179 42 42 PHE CA C 63.213 0.10 1 180 42 42 PHE CB C 40.391 0.10 1 181 42 42 PHE CG C 139.194 0.10 1 182 42 42 PHE N N 120.272 0.10 1 183 43 43 ILE C C 174.623 0.10 1 184 43 43 ILE CA C 67.801 0.10 1 185 43 43 ILE CB C 36.86 0.10 1 186 43 43 ILE CG1 C 31.335 0.10 1 187 43 43 ILE CG2 C 17.455 0.10 1 188 43 43 ILE CD1 C 14.508 0.10 1 189 43 43 ILE N N 115.4 0.10 1 190 44 44 PRO C C 178.715 0.10 1 191 44 44 PRO CA C 65.48 0.10 1 192 44 44 PRO CB C 32.601 0.10 1 193 44 44 PRO CG C 27.818 0.10 1 194 44 44 PRO CD C 51.341 0.10 1 195 44 44 PRO N N 132.319 0.10 1 196 45 45 ILE C C 176.048 0.10 1 197 45 45 ILE CA C 64.632 0.10 1 198 45 45 ILE CB C 37.107 0.10 1 199 45 45 ILE CG2 C 16.671 0.10 1 200 45 45 ILE N N 119.67 0.10 1 201 46 46 TRP C C 176.955 0.10 1 202 46 46 TRP CA C 60.969 0.10 1 203 46 46 TRP CB C 29.431 0.10 1 204 46 46 TRP CG C 111.94 0.10 1 205 46 46 TRP CD1 C 125.834 0.10 1 206 46 46 TRP CD2 C 129.855 0.10 1 207 46 46 TRP CE2 C 139.692 0.10 1 208 46 46 TRP CE3 C 120.2 0.10 1 209 46 46 TRP CZ2 C 113.6 0.10 1 210 46 46 TRP CZ3 C 121.2 0.10 1 211 46 46 TRP CH2 C 124.2 0.10 1 212 46 46 TRP N N 120.282 0.10 1 213 46 46 TRP NE1 N 126.56 0.10 1 214 47 47 SER C C 177.744 0.10 1 215 47 47 SER CA C 60.109 0.10 1 216 47 47 SER CB C 65.563 0.10 1 217 47 47 SER N N 106.592 0.10 1 218 48 48 GLY C C 174.929 0.10 1 219 48 48 GLY CA C 47.358 0.10 1 220 48 48 GLY N N 106.533 0.10 1 221 49 49 LEU C C 178.389 0.10 1 222 49 49 LEU CA C 58.189 0.10 1 223 49 49 LEU CB C 41.448 0.10 1 224 49 49 LEU CG C 27.158 0.10 1 225 49 49 LEU CD1 C 26.729 0.10 2 226 49 49 LEU CD2 C 22.895 0.10 2 227 49 49 LEU N N 121.611 0.10 1 228 50 50 ALA C C 178.651 0.10 1 229 50 50 ALA CA C 55.247 0.10 1 230 50 50 ALA CB C 18.107 0.10 1 231 50 50 ALA N N 121.25 0.10 1 232 51 51 TYR C C 178.27 0.10 1 233 51 51 TYR CA C 60.64 0.10 1 234 51 51 TYR CB C 38.409 0.10 1 235 51 51 TYR CG C 133.456 0.10 1 236 51 51 TYR CE1 C 119.067 0.10 3 237 51 51 TYR CE2 C 115.317 0.10 3 238 51 51 TYR CZ C 157.422 0.10 1 239 51 51 TYR N N 119.216 0.10 1 240 52 52 MET C C 177.514 0.10 1 241 52 52 MET CA C 59.106 0.10 1 242 52 52 MET CB C 33.006 0.10 1 243 52 52 MET CG C 31.441 0.10 1 244 52 52 MET CE C 16.539 0.10 1 245 52 52 MET N N 126.341 0.10 1 246 53 53 ALA C C 179.209 0.10 1 247 53 53 ALA CA C 54.732 0.10 1 248 53 53 ALA CB C 17.457 0.10 1 249 53 53 ALA N N 118.51 0.10 1 250 54 54 MET C C 180.652 0.10 1 251 54 54 MET CA C 58.596 0.10 1 252 54 54 MET CB C 31.155 0.10 1 253 54 54 MET CG C 33.072 0.10 1 254 54 54 MET CE C 16.408 0.10 1 255 54 54 MET N N 113.969 0.10 1 256 55 55 ALA C C 179.379 0.10 1 257 55 55 ALA CA C 55.518 0.10 1 258 55 55 ALA CB C 15.494 0.10 1 259 55 55 ALA N N 127.284 0.10 1 260 56 56 ILE C C 174.317 0.10 1 261 56 56 ILE CA C 60.45 0.10 1 262 56 56 ILE CB C 35.987 0.10 1 263 56 56 ILE CG1 C 23.544 0.10 1 264 56 56 ILE CG2 C 18.631 0.10 1 265 56 56 ILE CD1 C 15.247 0.10 1 266 56 56 ILE N N 111.237 0.10 1 267 57 57 ASP C C 174.942 0.10 1 268 57 57 ASP CA C 56.473 0.10 1 269 57 57 ASP CB C 38.744 0.10 1 270 57 57 ASP CG C 181.6 0.10 1 271 57 57 ASP N N 115.353 0.10 1 272 58 58 GLN C C 175.151 0.10 1 273 58 58 GLN CA C 54.679 0.10 1 274 58 58 GLN CB C 31.789 0.10 1 275 58 58 GLN CG C 35.317 0.10 1 276 58 58 GLN CD C 176.252 0.10 1 277 58 58 GLN N N 117.756 0.10 1 278 59 59 GLY C C 172.186 0.10 1 279 59 59 GLY CA C 45.944 0.10 1 280 59 59 GLY N N 101.792 0.10 1 281 60 60 LYS C C 175.261 0.10 1 282 60 60 LYS CA C 53.813 0.10 1 283 60 60 LYS CB C 36.484 0.10 1 284 60 60 LYS CG C 24.216 0.10 1 285 60 60 LYS CD C 29.783 0.10 1 286 60 60 LYS CE C 41.787 0.10 1 287 60 60 LYS N N 114.135 0.10 1 288 60 60 LYS NZ N 33.567 0.10 1 289 61 61 VAL C C 171.607 0.10 1 290 61 61 VAL CA C 60.028 0.10 1 291 61 61 VAL CB C 35.773 0.10 1 292 61 61 VAL CG1 C 21.262 0.10 2 293 61 61 VAL CG2 C 20.553 0.10 2 294 61 61 VAL N N 120.644 0.10 1 295 62 62 GLU C C 175.737 0.10 1 296 62 62 GLU CA C 56.66 0.10 1 297 62 62 GLU CB C 29.852 0.10 1 298 62 62 GLU CG C 36.314 0.10 1 299 62 62 GLU CD C 183.619 0.10 1 300 62 62 GLU N N 128.227 0.10 1 301 63 63 ALA C C 176.594 0.10 1 302 63 63 ALA CA C 52.22 0.10 1 303 63 63 ALA CB C 21.689 0.10 1 304 63 63 ALA N N 128.908 0.10 1 305 64 64 ALA C C 177.736 0.10 1 306 64 64 ALA CA C 52.9 0.10 1 307 64 64 ALA CB C 17.936 0.10 1 308 64 64 ALA N N 127.42 0.10 1 309 65 65 GLY C C 173.237 0.10 1 310 65 65 GLY CA C 46.045 0.10 1 311 65 65 GLY N N 103.837 0.10 1 312 66 66 GLN C C 172.232 0.10 1 313 66 66 GLN CA C 52.921 0.10 1 314 66 66 GLN CB C 29.887 0.10 1 315 66 66 GLN CG C 29.841 0.10 1 316 66 66 GLN CD C 179.267 0.10 1 317 66 66 GLN N N 118.078 0.10 1 318 67 67 ILE C C 176.605 0.10 1 319 67 67 ILE CA C 59.131 0.10 1 320 67 67 ILE CB C 36.124 0.10 1 321 67 67 ILE CG1 C 26.178 0.10 1 322 67 67 ILE CG2 C 18.21 0.10 1 323 67 67 ILE CD1 C 10.032 0.10 1 324 67 67 ILE N N 119.292 0.10 1 325 68 68 ALA C C 177.226 0.10 1 326 68 68 ALA CA C 50.905 0.10 1 327 68 68 ALA CB C 17.626 0.10 1 328 68 68 ALA N N 134.236 0.10 1 329 69 69 HIS C C 176.162 0.10 1 330 69 69 HIS CA C 55.178 0.10 1 331 69 69 HIS CB C 25.345 0.10 1 332 69 69 HIS CG C 128.522 0.10 1 333 69 69 HIS CD2 C 127.358 0.10 1 334 69 69 HIS CE1 C 138.842 0.10 1 335 69 69 HIS N N 129.35 0.10 1 336 69 69 HIS ND1 N 162.13 0.10 1 337 70 70 TYR C C 177.352 0.10 1 338 70 70 TYR CA C 59.946 0.10 1 339 70 70 TYR CB C 37.009 0.10 1 340 70 70 TYR CG C 126.659 0.10 1 341 70 70 TYR CZ C 159.825 0.10 1 342 70 70 TYR N N 121.565 0.10 1 343 71 71 ALA C C 178.847 0.10 1 344 71 71 ALA CA C 55.287 0.10 1 345 71 71 ALA CB C 17.237 0.10 1 346 71 71 ALA N N 125.032 0.10 1 347 72 72 ARG C C 175.96 0.10 1 348 72 72 ARG CA C 59.428 0.10 1 349 72 72 ARG CB C 28.78 0.10 1 350 72 72 ARG CG C 27.76 0.10 1 351 72 72 ARG CD C 43.839 0.10 1 352 72 72 ARG CZ C 159.353 0.10 1 353 72 72 ARG N N 113.974 0.10 1 354 72 72 ARG NE N 83.498 0.10 1 355 72 72 ARG NH1 N 77.3 0.10 2 356 72 72 ARG NH2 N 69.7 0.10 2 357 73 73 TYR C C 177.334 0.10 1 358 73 73 TYR CA C 59.768 0.10 1 359 73 73 TYR CB C 37.946 0.10 1 360 73 73 TYR CG C 128.429 0.10 1 361 73 73 TYR CZ C 158.29 0.10 1 362 73 73 TYR N N 112.787 0.10 1 363 74 74 ILE C C 177.261 0.10 1 364 74 74 ILE CA C 65.976 0.10 1 365 74 74 ILE CB C 37.727 0.10 1 366 74 74 ILE CG1 C 29.245 0.10 1 367 74 74 ILE CG2 C 17.453 0.10 1 368 74 74 ILE CD1 C 14.488 0.10 1 369 74 74 ILE N N 120.035 0.10 1 370 75 75 ASP C C 178.157 0.10 1 371 75 75 ASP CA C 56.098 0.10 1 372 75 75 ASP CB C 40.89 0.10 1 373 75 75 ASP CG C 178.561 0.10 1 374 75 75 ASP N N 116.182 0.10 1 375 76 76 TRP C C 179.616 0.10 1 376 76 76 TRP CA C 56.476 0.10 1 377 76 76 TRP CB C 30.057 0.10 1 378 76 76 TRP CG C 113.544 0.10 1 379 76 76 TRP CD1 C 124.478 0.10 1 380 76 76 TRP CD2 C 130.619 0.10 1 381 76 76 TRP CE2 C 139.2 0.10 1 382 76 76 TRP CE3 C 120 0.10 1 383 76 76 TRP CZ2 C 112.9 0.10 1 384 76 76 TRP CZ3 C 121.928 0.10 1 385 76 76 TRP CH2 C 125.6 0.10 1 386 76 76 TRP N N 114.767 0.10 1 387 76 76 TRP NE1 N 128.1 0.10 1 388 77 77 MET C C 172.726 0.10 1 389 77 77 MET CA C 58.004 0.10 1 390 77 77 MET CB C 31.371 0.10 1 391 77 77 MET CG C 32.121 0.10 1 392 77 77 MET CE C 16.896 0.10 1 393 77 77 MET N N 125.517 0.10 1 394 78 78 VAL C C 178.683 0.10 1 395 78 78 VAL CA C 63.345 0.10 1 396 78 78 VAL CB C 34.442 0.10 1 397 78 78 VAL CG1 C 22.294 0.10 2 398 78 78 VAL CG2 C 21.065 0.10 2 399 78 78 VAL N N 109.696 0.10 1 400 79 79 THR C C 177.621 0.10 1 401 79 79 THR CA C 66.057 0.10 1 402 79 79 THR CB C 70.272 0.10 1 403 79 79 THR CG2 C 24.383 0.10 1 404 79 79 THR N N 107.485 0.10 1 405 80 80 THR C C 176.47 0.10 1 406 80 80 THR CA C 66.875 0.10 1 407 80 80 THR CB C 67.977 0.10 1 408 80 80 THR CG2 C 23.553 0.10 1 409 80 80 THR N N 112.89 0.10 1 410 81 81 PRO C C 178.91 0.10 1 411 81 81 PRO CA C 66.82 0.10 1 412 81 81 PRO CB C 31.855 0.10 1 413 81 81 PRO CG C 28.968 0.10 1 414 81 81 PRO CD C 50.933 0.10 1 415 81 81 PRO N N 137.748 0.10 1 416 82 82 LEU C C 177.731 0.10 1 417 82 82 LEU CA C 57.674 0.10 1 418 82 82 LEU CB C 40.986 0.10 1 419 82 82 LEU CG C 26.207 0.10 1 420 82 82 LEU CD1 C 27.013 0.10 2 421 82 82 LEU CD2 C 22.218 0.10 2 422 82 82 LEU N N 113.72 0.10 1 423 83 83 LEU C C 179.364 0.10 1 424 83 83 LEU CA C 58.087 0.10 1 425 83 83 LEU CB C 42.886 0.10 1 426 83 83 LEU CG C 28.003 0.10 1 427 83 83 LEU CD1 C 27.668 0.10 2 428 83 83 LEU CD2 C 24.305 0.10 2 429 83 83 LEU N N 121.075 0.10 1 430 84 84 LEU C C 179.364 0.10 1 431 84 84 LEU CA C 57.802 0.10 1 432 84 84 LEU CB C 41.724 0.10 1 433 84 84 LEU CG C 27.892 0.10 1 434 84 84 LEU CD1 C 27.701 0.10 2 435 84 84 LEU CD2 C 23.79 0.10 2 436 84 84 LEU N N 118.647 0.10 1 437 85 85 LEU C C 176.885 0.10 1 438 85 85 LEU CA C 58.172 0.10 1 439 85 85 LEU CB C 40.367 0.10 1 440 85 85 LEU CG C 24.949 0.10 1 441 85 85 LEU CD1 C 22.306 0.10 2 442 85 85 LEU CD2 C 27.311 0.10 2 443 85 85 LEU N N 127.093 0.10 1 444 86 86 SER C C 178.535 0.10 1 445 86 86 SER CA C 64.323 0.10 1 446 86 86 SER CB C 63.435 0.10 1 447 86 86 SER N N 116.189 0.10 1 448 87 87 LEU C C 178.304 0.10 1 449 87 87 LEU CA C 58.019 0.10 1 450 87 87 LEU CB C 41.951 0.10 1 451 87 87 LEU CG C 26.192 0.10 1 452 87 87 LEU CD1 C 24.48 0.10 2 453 87 87 LEU CD2 C 22.35 0.10 2 454 87 87 LEU N N 122.277 0.10 1 455 88 88 SER C C 176.409 0.10 1 456 88 88 SER CA C 62.829 0.10 1 457 88 88 SER CB C 62.898 0.10 1 458 88 88 SER N N 117.029 0.10 1 459 89 89 TRP C C 180.02 0.10 1 460 89 89 TRP CA C 58.481 0.10 1 461 89 89 TRP CB C 28.298 0.10 1 462 89 89 TRP CG C 115.33 0.10 1 463 89 89 TRP CD1 C 127.165 0.10 1 464 89 89 TRP CD2 C 130.261 0.10 1 465 89 89 TRP CE2 C 139.2 0.10 1 466 89 89 TRP CE3 C 120.2 0.10 1 467 89 89 TRP CZ2 C 114.7 0.10 1 468 89 89 TRP CZ3 C 121.2 0.10 1 469 89 89 TRP CH2 C 124.5 0.10 1 470 89 89 TRP N N 122.897 0.10 1 471 90 90 THR C C 175.236 0.10 1 472 90 90 THR CA C 69.134 0.10 1 473 90 90 THR CB C 66.524 0.10 1 474 90 90 THR CG2 C 21.513 0.10 1 475 90 90 THR N N 119.066 0.10 1 476 91 91 ALA C C 177.259 0.10 1 477 91 91 ALA CA C 54.066 0.10 1 478 91 91 ALA CB C 18.785 0.10 1 479 91 91 ALA N N 120.364 0.10 1 480 92 92 MET C C 176.794 0.10 1 481 92 92 MET CA C 53.35 0.10 1 482 92 92 MET CB C 33.194 0.10 1 483 92 92 MET CG C 34.106 0.10 1 484 92 92 MET CE C 17.235 0.10 1 485 92 92 MET N N 108.929 0.10 1 486 93 93 GLN C C 177.828 0.10 1 487 93 93 GLN CA C 60.326 0.10 1 488 93 93 GLN CB C 28.755 0.10 1 489 93 93 GLN CG C 33.068 0.10 1 490 93 93 GLN N N 122.373 0.10 1 491 94 94 PHE C C 175.52 0.10 1 492 94 94 PHE CA C 55.948 0.10 1 493 94 94 PHE CG C 140.758 0.10 1 494 94 94 PHE N N 112.761 0.10 1 495 95 95 ILE C C 174.599 0.10 1 496 95 95 ILE CA C 59.343 0.10 1 497 95 95 ILE CB C 42.149 0.10 1 498 95 95 ILE CG1 C 24.322 0.10 1 499 95 95 ILE CG2 C 17.348 0.10 1 500 95 95 ILE CD1 C 15.743 0.10 1 501 95 95 ILE N N 111.127 0.10 1 502 96 96 LYS C C 176.752 0.10 1 503 96 96 LYS CA C 56.545 0.10 1 504 96 96 LYS CB C 32.752 0.10 1 505 96 96 LYS N N 119.705 0.10 1 506 100 100 THR C C 175.629 0.10 1 507 100 100 THR CA C 64.771 0.10 1 508 100 100 THR CB C 70.125 0.10 1 509 100 100 THR CG2 C 21.958 0.10 1 510 100 100 THR N N 109.532 0.10 1 511 101 101 LEU C C 178.3 0.10 1 512 101 101 LEU CA C 58.069 0.10 1 513 101 101 LEU CB C 41.795 0.10 1 514 101 101 LEU CG C 27.313 0.10 1 515 101 101 LEU CD1 C 22.7 0.10 2 516 101 101 LEU CD2 C 26.071 0.10 2 517 101 101 LEU N N 123.805 0.10 1 518 102 102 ILE C C 177.763 0.10 1 519 102 102 ILE CA C 66.447 0.10 1 520 102 102 ILE CB C 38.146 0.10 1 521 102 102 ILE CG1 C 29.565 0.10 1 522 102 102 ILE CG2 C 18.896 0.10 1 523 102 102 ILE CD1 C 13.243 0.10 1 524 102 102 ILE N N 117.193 0.10 1 525 103 103 GLY C C 176.305 0.10 1 526 103 103 GLY CA C 47.455 0.10 1 527 103 103 GLY N N 107.603 0.10 1 528 104 104 PHE C C 175.495 0.10 1 529 104 104 PHE CA C 59.66 0.10 1 530 104 104 PHE CG C 137.978 0.10 1 531 104 104 PHE N N 125.5 0.10 1 532 105 105 LEU C C 177.719 0.10 1 533 105 105 LEU CA C 57.876 0.10 1 534 105 105 LEU CB C 41.78 0.10 1 535 105 105 LEU CG C 26.127 0.10 1 536 105 105 LEU CD1 C 27.294 0.10 2 537 105 105 LEU CD2 C 23.791 0.10 2 538 105 105 LEU N N 123.364 0.10 1 539 106 106 MET C C 177.268 0.10 1 540 106 106 MET CA C 61.287 0.10 1 541 106 106 MET CB C 35.007 0.10 1 542 106 106 MET CG C 31.521 0.10 1 543 106 106 MET CE C 16.586 0.10 1 544 106 106 MET N N 113.929 0.10 1 545 107 107 SER C C 176.735 0.10 1 546 107 107 SER CA C 62.365 0.10 1 547 107 107 SER CB C 62.544 0.10 1 548 107 107 SER N N 111.83 0.10 1 549 108 108 THR C C 176.996 0.10 1 550 108 108 THR CA C 68.297 0.10 1 551 108 108 THR CB C 67.534 0.10 1 552 108 108 THR CG2 C 23.025 0.10 1 553 108 108 THR N N 121.298 0.10 1 554 109 109 GLN C C 178.243 0.10 1 555 109 109 GLN CA C 57.287 0.10 1 556 109 109 GLN CB C 26.745 0.10 1 557 109 109 GLN CG C 31.256 0.10 1 558 109 109 GLN CD C 174.881 0.10 1 559 109 109 GLN N N 122.091 0.10 1 560 109 109 GLN NE2 N 98.301 0.10 1 561 110 110 ILE C C 180.368 0.10 1 562 110 110 ILE CA C 64.013 0.10 1 563 110 110 ILE CB C 36.336 0.10 1 564 110 110 ILE CG1 C 28.556 0.10 1 565 110 110 ILE CG2 C 17.366 0.10 1 566 110 110 ILE N N 120.374 0.10 1 567 111 111 VAL C C 178.443 0.10 1 568 111 111 VAL CA C 67.659 0.10 1 569 111 111 VAL CB C 30.771 0.10 1 570 111 111 VAL CG1 C 22.592 0.10 2 571 111 111 VAL CG2 C 21.269 0.10 2 572 111 111 VAL N N 123.47 0.10 1 573 112 112 VAL C C 177.094 0.10 1 574 112 112 VAL CA C 67.403 0.10 1 575 112 112 VAL CB C 31.732 0.10 1 576 112 112 VAL CG1 C 22.138 0.10 2 577 112 112 VAL CG2 C 21.827 0.10 2 578 112 112 VAL N N 121.661 0.10 1 579 113 113 ILE C C 178.276 0.10 1 580 113 113 ILE CA C 61.534 0.10 1 581 113 113 ILE CB C 34.63 0.10 1 582 113 113 ILE CG1 C 25.553 0.10 1 583 113 113 ILE CG2 C 20.496 0.10 1 584 113 113 ILE CD1 C 8.77 0.10 1 585 113 113 ILE N N 113.487 0.10 1 586 114 114 THR C C 175.726 0.10 1 587 114 114 THR CA C 68.671 0.10 1 588 114 114 THR CB C 67.857 0.10 1 589 114 114 THR CG2 C 22.05 0.10 1 590 114 114 THR N N 118.073 0.10 1 591 115 115 SER C C 175.74 0.10 1 592 115 115 SER CA C 63.875 0.10 1 593 115 115 SER CB C 62.376 0.10 1 594 115 115 SER N N 116.499 0.10 1 595 116 116 GLY C C 173.067 0.10 1 596 116 116 GLY CA C 47.772 0.10 1 597 116 116 GLY N N 106.805 0.10 1 598 117 117 LEU C C 176.738 0.10 1 599 117 117 LEU CA C 57.282 0.10 1 600 117 117 LEU CB C 40.961 0.10 1 601 117 117 LEU CG C 27.483 0.10 1 602 117 117 LEU CD1 C 26.298 0.10 2 603 117 117 LEU CD2 C 23.137 0.10 2 604 117 117 LEU N N 123.4 0.10 1 605 118 118 ILE C C 180.111 0.10 1 606 118 118 ILE CA C 65.31 0.10 1 607 118 118 ILE CB C 37.114 0.10 1 608 118 118 ILE CG1 C 27.68 0.10 1 609 118 118 ILE CG2 C 14.82 0.10 1 610 118 118 ILE CD1 C 13.439 0.10 1 611 118 118 ILE N N 116.777 0.10 1 612 119 119 ALA C C 179.374 0.10 1 613 119 119 ALA CA C 56.085 0.10 1 614 119 119 ALA CB C 19.515 0.10 1 615 119 119 ALA N N 122.927 0.10 1 616 120 120 ASP C C 178.87 0.10 1 617 120 120 ASP CA C 54.087 0.10 1 618 120 120 ASP CB C 40.575 0.10 1 619 120 120 ASP CG C 180.992 0.10 1 620 120 120 ASP N N 112.983 0.10 1 621 121 121 LEU C C 176.56 0.10 1 622 121 121 LEU CA C 54.281 0.10 1 623 121 121 LEU CB C 43.052 0.10 1 624 121 121 LEU CG C 25.792 0.10 1 625 121 121 LEU CD1 C 25.261 0.10 2 626 121 121 LEU CD2 C 21.825 0.10 2 627 121 121 LEU N N 115.376 0.10 1 628 122 122 SER C C 174.296 0.10 1 629 122 122 SER CA C 61.679 0.10 1 630 122 122 SER CB C 63.83 0.10 1 631 122 122 SER N N 115.306 0.10 1 632 123 123 GLU C C 174.429 0.10 1 633 123 123 GLU CA C 55.315 0.10 1 634 123 123 GLU N N 122.81 0.10 1 635 124 124 ARG C C 177.346 0.10 1 636 124 124 ARG CA C 55.655 0.10 1 637 124 124 ARG CB C 31.383 0.10 1 638 124 124 ARG CG C 27.144 0.10 1 639 124 124 ARG CD C 43.924 0.10 1 640 124 124 ARG CZ C 159.906 0.10 1 641 124 124 ARG N N 118.657 0.10 1 642 125 125 ASP C C 177.357 0.10 1 643 125 125 ASP CA C 58.213 0.10 1 644 125 125 ASP CB C 39.531 0.10 1 645 125 125 ASP N N 126.268 0.10 1 646 126 126 TRP C C 176.308 0.10 1 647 126 126 TRP CA C 59.848 0.10 1 648 126 126 TRP CB C 27.324 0.10 1 649 126 126 TRP CG C 111.224 0.10 1 650 126 126 TRP CD2 C 130.813 0.10 1 651 126 126 TRP CZ3 C 117.6 0.10 1 652 126 126 TRP N N 115.803 0.10 1 653 127 127 VAL C C 176.858 0.10 1 654 127 127 VAL CA C 65.743 0.10 1 655 127 127 VAL CB C 31.627 0.10 1 656 127 127 VAL CG1 C 22.534 0.10 2 657 127 127 VAL CG2 C 20.193 0.10 2 658 127 127 VAL N N 122.604 0.10 1 659 128 128 ARG C C 178.871 0.10 1 660 128 128 ARG CA C 60.308 0.10 1 661 128 128 ARG CB C 27.542 0.10 1 662 128 128 ARG CD C 37.402 0.10 1 663 128 128 ARG N N 119.78 0.10 1 664 130 130 LEU C C 178.475 0.10 1 665 130 130 LEU CA C 59.303 0.10 1 666 130 130 LEU CB C 42.299 0.10 1 667 130 130 LEU CG C 25.702 0.10 1 668 130 130 LEU CD1 C 27.333 0.10 2 669 130 130 LEU CD2 C 23.657 0.10 2 670 130 130 LEU N N 123.275 0.10 1 671 131 131 TRP C C 178.949 0.10 1 672 131 131 TRP CA C 61.247 0.10 1 673 131 131 TRP CB C 29.271 0.10 1 674 131 131 TRP CG C 111.567 0.10 1 675 131 131 TRP CD1 C 128.158 0.10 1 676 131 131 TRP CD2 C 128.894 0.10 1 677 131 131 TRP CE2 C 140.6 0.10 1 678 131 131 TRP CE3 C 119.5 0.10 1 679 131 131 TRP CZ2 C 113.2 0.10 1 680 131 131 TRP CZ3 C 121.362 0.10 1 681 131 131 TRP CH2 C 128.2 0.10 1 682 131 131 TRP N N 119.402 0.10 1 683 132 132 TYR C C 176.724 0.10 1 684 132 132 TYR CA C 62.313 0.10 1 685 132 132 TYR CB C 38.371 0.10 1 686 132 132 TYR CG C 129.106 0.10 1 687 132 132 TYR CZ C 158.054 0.10 1 688 132 132 TYR N N 119.636 0.10 1 689 133 133 ILE C C 178.565 0.10 1 690 133 133 ILE CA C 65.46 0.10 1 691 133 133 ILE CB C 37.264 0.10 1 692 133 133 ILE N N 120.005 0.10 1 693 134 134 CYS C C 176.862 0.10 1 694 134 134 CYS CA C 65.735 0.10 1 695 134 134 CYS CB C 25.802 0.10 1 696 134 134 CYS N N 121.714 0.10 1 697 135 135 GLY C C 175.978 0.10 1 698 135 135 GLY CA C 48.23 0.10 1 699 135 135 GLY N N 105.936 0.10 1 700 136 136 VAL C C 177.589 0.10 1 701 136 136 VAL CA C 67.56 0.10 1 702 136 136 VAL CB C 31.277 0.10 1 703 136 136 VAL CG1 C 24.303 0.10 2 704 136 136 VAL CG2 C 21.965 0.10 2 705 136 136 VAL N N 123.803 0.10 1 706 137 137 CYS C C 176.181 0.10 1 707 137 137 CYS CA C 65.706 0.10 1 708 137 137 CYS CB C 26.745 0.10 1 709 137 137 CYS N N 118.83 0.10 1 710 138 138 ALA C C 177.925 0.10 1 711 138 138 ALA CA C 55.242 0.10 1 712 138 138 ALA CB C 17.982 0.10 1 713 138 138 ALA N N 119.252 0.10 1 714 139 139 PHE C C 176.712 0.10 1 715 139 139 PHE CA C 59.4 0.10 1 716 139 139 PHE CB C 40.131 0.10 1 717 139 139 PHE CG C 139.321 0.10 1 718 139 139 PHE N N 119.876 0.10 1 719 140 140 LEU C C 178.578 0.10 1 720 140 140 LEU CA C 58.178 0.10 1 721 140 140 LEU CB C 41.064 0.10 1 722 140 140 LEU CG C 27.243 0.10 1 723 140 140 LEU CD1 C 22.407 0.10 2 724 140 140 LEU CD2 C 26.147 0.10 2 725 140 140 LEU N N 120.165 0.10 1 726 141 141 ILE CA C 65.451 0.10 1 727 141 141 ILE CB C 36.974 0.10 1 728 141 141 ILE CG2 C 18.966 0.10 1 729 141 141 ILE N N 119.139 0.10 1 730 142 142 ILE C C 178.36 0.10 1 731 142 142 ILE CA C 63.062 0.10 1 732 142 142 ILE CG2 C 17.156 0.10 1 733 142 142 ILE N N 122.264 0.10 1 734 143 143 LEU C C 179.016 0.10 1 735 143 143 LEU CA C 57.651 0.10 1 736 143 143 LEU CB C 41.473 0.10 1 737 143 143 LEU CG C 26.469 0.10 1 738 143 143 LEU CD1 C 22.793 0.10 2 739 143 143 LEU CD2 C 25.758 0.10 2 740 143 143 LEU N N 117.49 0.10 1 741 144 144 TRP C C 179.141 0.10 1 742 144 144 TRP CA C 63.011 0.10 1 743 144 144 TRP CB C 27.726 0.10 1 744 144 144 TRP N N 119.432 0.10 1 745 145 145 GLY C C 175.551 0.10 1 746 145 145 GLY CA C 47.108 0.10 1 747 145 145 GLY N N 108.526 0.10 1 748 146 146 ILE C C 178.345 0.10 1 749 146 146 ILE CA C 64.315 0.10 1 750 146 146 ILE CB C 35.626 0.10 1 751 146 146 ILE CG1 C 24.267 0.10 1 752 146 146 ILE CG2 C 16.781 0.10 1 753 146 146 ILE CD1 C 13.152 0.10 1 754 146 146 ILE N N 114.883 0.10 1 755 147 147 TRP C C 175.502 0.10 1 756 147 147 TRP CA C 59.948 0.10 1 757 147 147 TRP CB C 30.034 0.10 1 758 147 147 TRP CG C 113.941 0.10 1 759 147 147 TRP CD1 C 127.09 0.10 1 760 147 147 TRP CD2 C 129.208 0.10 1 761 147 147 TRP CE2 C 139.4 0.10 1 762 147 147 TRP CE3 C 120.3 0.10 1 763 147 147 TRP CZ2 C 113.9 0.10 1 764 147 147 TRP CZ3 C 121.3 0.10 1 765 147 147 TRP CH2 C 125.8 0.10 1 766 147 147 TRP N N 120.875 0.10 1 767 148 148 ASN C C 171.75 0.10 1 768 148 148 ASN CA C 55.031 0.10 1 769 148 148 ASN CB C 38.827 0.10 1 770 148 148 ASN CG C 176.666 0.10 1 771 148 148 ASN N N 117.112 0.10 1 772 149 149 PRO CA C 66.085 0.10 1 773 149 149 PRO CB C 31.488 0.10 1 774 149 149 PRO CG C 27.871 0.10 1 775 149 149 PRO CD C 49.984 0.10 1 776 149 149 PRO N N 138.77 0.10 1 777 152 152 ALA C C 180.851 0.10 1 778 152 152 ALA CA C 54.92 0.10 1 779 152 152 ALA CB C 17.972 0.10 1 780 152 152 ALA N N 121.154 0.10 1 781 153 153 LYS C C 176.34 0.10 1 782 153 153 LYS CA C 56.831 0.10 1 783 153 153 LYS N N 114.596 0.10 1 784 154 154 THR C C 176.231 0.10 1 785 154 154 THR CA C 63.738 0.10 1 786 154 154 THR CB C 69.794 0.10 1 787 154 154 THR CG2 C 21.076 0.10 1 788 154 154 THR N N 107.054 0.10 1 789 156 156 THR C C 174.916 0.10 1 790 156 156 THR CA C 61.53 0.10 1 791 156 156 THR CB C 69.096 0.10 1 792 156 156 THR CG2 C 21.533 0.10 1 793 156 156 THR N N 104.988 0.10 1 794 157 157 GLN C C 173.31 0.10 1 795 157 157 GLN CA C 54.931 0.10 1 796 157 157 GLN CB C 35.519 0.10 1 797 157 157 GLN CG C 38.39 0.10 1 798 157 157 GLN CD C 177.541 0.10 1 799 157 157 GLN N N 120.514 0.10 1 800 158 158 SER C C 174.654 0.10 1 801 158 158 SER CA C 57.77 0.10 1 802 158 158 SER CB C 65.295 0.10 1 803 158 158 SER N N 113.302 0.10 1 804 159 159 SER C C 176.679 0.10 1 805 159 159 SER CA C 61.627 0.10 1 806 159 159 SER CB C 62.675 0.10 1 807 159 159 SER N N 118.119 0.10 1 808 160 160 GLU C C 179.547 0.10 1 809 160 160 GLU CA C 60.332 0.10 1 810 160 160 GLU CB C 29.377 0.10 1 811 160 160 GLU N N 119.572 0.10 1 812 161 161 LEU C C 178.857 0.10 1 813 161 161 LEU CA C 56.766 0.10 1 814 161 161 LEU CB C 40.986 0.10 1 815 161 161 LEU CG C 28.119 0.10 1 816 161 161 LEU CD1 C 22.763 0.10 2 817 161 161 LEU CD2 C 26.67 0.10 2 818 161 161 LEU N N 125.133 0.10 1 819 162 162 ALA C C 179.783 0.10 1 820 162 162 ALA CA C 56.07 0.10 1 821 162 162 ALA CB C 18.017 0.10 1 822 162 162 ALA N N 123.328 0.10 1 823 163 163 ASN C C 178.106 0.10 1 824 163 163 ASN CA C 55.9 0.10 1 825 163 163 ASN CB C 38.241 0.10 1 826 163 163 ASN CG C 176.142 0.10 1 827 163 163 ASN N N 115.75 0.10 1 828 164 164 LEU C C 178.034 0.10 1 829 164 164 LEU CA C 58.238 0.10 1 830 164 164 LEU CB C 40.779 0.10 1 831 164 164 LEU CG C 27.439 0.10 1 832 164 164 LEU CD1 C 25.897 0.10 2 833 164 164 LEU CD2 C 22.728 0.10 2 834 164 164 LEU N N 123.683 0.10 1 835 165 165 TYR C C 176.029 0.10 1 836 165 165 TYR CA C 63.696 0.10 1 837 165 165 TYR CB C 38.632 0.10 1 838 165 165 TYR CG C 129.412 0.10 1 839 165 165 TYR CD2 C 133.236 0.10 3 840 165 165 TYR CE1 C 115.281 0.10 3 841 165 165 TYR CE2 C 119.303 0.10 3 842 165 165 TYR CZ C 158.197 0.10 1 843 165 165 TYR N N 119.062 0.10 1 844 166 166 ASP C C 179.426 0.10 1 845 166 166 ASP CA C 56.862 0.10 1 846 166 166 ASP CB C 39.414 0.10 1 847 166 166 ASP CG C 180.125 0.10 1 848 166 166 ASP N N 119.22 0.10 1 849 167 167 LYS C C 178.328 0.10 1 850 167 167 LYS CA C 59.979 0.10 1 851 167 167 LYS CB C 32.448 0.10 1 852 167 167 LYS N N 123.587 0.10 1 853 168 168 LEU C C 179.725 0.10 1 854 168 168 LEU CA C 57.668 0.10 1 855 168 168 LEU CB C 42.204 0.10 1 856 168 168 LEU CG C 25.913 0.10 1 857 168 168 LEU CD1 C 21.452 0.10 2 858 168 168 LEU CD2 C 22.69 0.10 2 859 168 168 LEU N N 119.44 0.10 1 860 169 169 VAL C C 178.819 0.10 1 861 169 169 VAL CA C 64.708 0.10 1 862 169 169 VAL CB C 29.924 0.10 1 863 169 169 VAL CG1 C 22.797 0.10 2 864 169 169 VAL CG2 C 18.938 0.10 2 865 169 169 VAL N N 119.908 0.10 1 866 170 170 THR C C 174.424 0.10 1 867 170 170 THR CA C 69.475 0.10 1 868 170 170 THR CB C 67.923 0.10 1 869 170 170 THR CG2 C 21.566 0.10 1 870 170 170 THR N N 125.317 0.10 1 871 171 171 TYR C C 175.378 0.10 1 872 171 171 TYR CA C 62.696 0.10 1 873 171 171 TYR CB C 39.265 0.10 1 874 171 171 TYR CZ C 158.246 0.10 1 875 171 171 TYR N N 123.409 0.10 1 876 172 172 PHE C C 176.75 0.10 1 877 172 172 PHE CA C 60.639 0.10 1 878 172 172 PHE CB C 41.856 0.10 1 879 172 172 PHE CG C 137.513 0.10 1 880 172 172 PHE N N 118.301 0.10 1 881 173 173 THR C C 174.909 0.10 1 882 173 173 THR CA C 69.032 0.10 1 883 173 173 THR CG2 C 21.323 0.10 1 884 173 173 THR N N 113.3 0.10 1 885 174 174 VAL C C 175.777 0.10 1 886 174 174 VAL CA C 67.394 0.10 1 887 174 174 VAL CB C 31.684 0.10 1 888 174 174 VAL CG1 C 23.127 0.10 2 889 174 174 VAL CG2 C 21.758 0.10 2 890 174 174 VAL N N 118.115 0.10 1 891 175 175 LEU C C 179.91 0.10 1 892 175 175 LEU CA C 57.395 0.10 1 893 175 175 LEU CB C 41.814 0.10 1 894 175 175 LEU CG C 27.778 0.10 1 895 175 175 LEU CD1 C 23.527 0.10 2 896 175 175 LEU CD2 C 26.573 0.10 2 897 175 175 LEU N N 112.968 0.10 1 898 176 176 TRP C C 179.597 0.10 1 899 176 176 TRP CA C 62.629 0.10 1 900 176 176 TRP CB C 27.1 0.10 1 901 176 176 TRP CG C 115.442 0.10 1 902 176 176 TRP CD1 C 127.001 0.10 1 903 176 176 TRP CD2 C 130.074 0.10 1 904 176 176 TRP CE2 C 138.2 0.10 1 905 176 176 TRP CE3 C 120.2 0.10 1 906 176 176 TRP CZ2 C 115.44 0.10 1 907 176 176 TRP CZ3 C 120.9 0.10 1 908 176 176 TRP CH2 C 123.2 0.10 1 909 176 176 TRP N N 117.912 0.10 1 910 177 177 ILE C C 175.82 0.10 1 911 177 177 ILE CA C 65.588 0.10 1 912 177 177 ILE CB C 38.235 0.10 1 913 177 177 ILE CG1 C 24.122 0.10 1 914 177 177 ILE CG2 C 18.068 0.10 1 915 177 177 ILE CD1 C 15.37 0.10 1 916 177 177 ILE N N 118.452 0.10 1 917 178 178 GLY C C 174.79 0.10 1 918 178 178 GLY CA C 47.563 0.10 1 919 178 178 GLY N N 102.262 0.10 1 920 179 179 TYR C C 175.019 0.10 1 921 179 179 TYR CA C 63.41 0.10 1 922 179 179 TYR CB C 35.523 0.10 1 923 179 179 TYR CG C 131.782 0.10 1 924 179 179 TYR CE1 C 116.568 0.10 3 925 179 179 TYR CZ C 156.428 0.10 1 926 179 179 TYR N N 115.777 0.10 1 927 180 180 PRO C C 180.002 0.10 1 928 180 180 PRO CA C 65.075 0.10 1 929 180 180 PRO CB C 28.898 0.10 1 930 180 180 PRO CG C 27.551 0.10 1 931 180 180 PRO CD C 49.679 0.10 1 932 180 180 PRO N N 132.452 0.10 1 933 181 181 ILE C C 175.418 0.10 1 934 181 181 ILE CA C 65.418 0.10 1 935 181 181 ILE CB C 37.578 0.10 1 936 181 181 ILE CG1 C 28.688 0.10 1 937 181 181 ILE CG2 C 16.848 0.10 1 938 181 181 ILE CD1 C 13.633 0.10 1 939 181 181 ILE N N 121.675 0.10 1 940 182 182 VAL C C 177.316 0.10 1 941 182 182 VAL CA C 66.975 0.10 1 942 182 182 VAL CB C 30.601 0.10 1 943 182 182 VAL CG1 C 24.127 0.10 2 944 182 182 VAL CG2 C 23.11 0.10 2 945 182 182 VAL N N 118.992 0.10 1 946 183 183 TRP C C 178.958 0.10 1 947 183 183 TRP CA C 62.728 0.10 1 948 183 183 TRP CB C 32.459 0.10 1 949 183 183 TRP CG C 111.657 0.10 1 950 183 183 TRP CD1 C 127.58 0.10 1 951 183 183 TRP CD2 C 129.211 0.10 1 952 183 183 TRP CE2 C 139.2 0.10 1 953 183 183 TRP CE3 C 124.5 0.10 1 954 183 183 TRP CZ2 C 113.2 0.10 1 955 183 183 TRP CZ3 C 120.9 0.10 1 956 183 183 TRP CH2 C 122.4 0.10 1 957 183 183 TRP N N 116.609 0.10 1 958 184 184 ILE C C 174.985 0.10 1 959 184 184 ILE CA C 60.732 0.10 1 960 184 184 ILE CB C 39.708 0.10 1 961 184 184 ILE N N 113.195 0.10 1 962 185 185 ILE C C 176.332 0.10 1 963 185 185 ILE CA C 62.983 0.10 1 964 185 185 ILE CB C 38.624 0.10 1 965 185 185 ILE CG1 C 24.363 0.10 1 966 185 185 ILE CG2 C 17.751 0.10 1 967 185 185 ILE CD1 C 14.507 0.10 1 968 185 185 ILE N N 113.102 0.10 1 969 186 186 GLY C C 173.766 0.10 1 970 186 186 GLY CA C 45.136 0.10 1 971 186 186 GLY N N 109.922 0.10 1 972 187 187 PRO C C 176.934 0.10 1 973 187 187 PRO CA C 64.934 0.10 1 974 187 187 PRO CB C 32.956 0.10 1 975 187 187 PRO CG C 27.252 0.10 1 976 187 187 PRO CD C 49.777 0.10 1 977 187 187 PRO N N 133.536 0.10 1 978 188 188 SER C C 172.592 0.10 1 979 188 188 SER CA C 61.761 0.10 1 980 188 188 SER CB C 60.742 0.10 1 981 188 188 SER N N 109.265 0.10 1 982 189 189 GLY C C 173.882 0.10 1 983 189 189 GLY CA C 44.145 0.10 1 984 189 189 GLY N N 109.075 0.10 1 985 190 190 PHE C C 177.265 0.10 1 986 190 190 PHE CA C 56.575 0.10 1 987 190 190 PHE CB C 40.97 0.10 1 988 190 190 PHE N N 125.296 0.10 1 989 191 191 GLY C C 174.729 0.10 1 990 191 191 GLY CA C 46.607 0.10 1 991 191 191 GLY N N 105.843 0.10 1 992 192 192 TRP C C 177.074 0.10 1 993 192 192 TRP CA C 57.399 0.10 1 994 192 192 TRP CB C 29.01 0.10 1 995 192 192 TRP N N 121.06 0.10 1 996 193 193 ILE C C 175.094 0.10 1 997 193 193 ILE CA C 58.522 0.10 1 998 193 193 ILE CB C 40.081 0.10 1 999 193 193 ILE CG1 C 27.129 0.10 1 1000 193 193 ILE CG2 C 18.283 0.10 1 1001 193 193 ILE CD1 C 13.084 0.10 1 1002 193 193 ILE N N 107.181 0.10 1 1003 194 194 ASN C C 175.714 0.10 1 1004 194 194 ASN CA C 51.289 0.10 1 1005 194 194 ASN CB C 39.199 0.10 1 1006 194 194 ASN N N 118.513 0.10 1 1007 195 195 GLN C C 176.808 0.10 1 1008 195 195 GLN CA C 57.612 0.10 1 1009 195 195 GLN CB C 29.193 0.10 1 1010 195 195 GLN CG C 34.304 0.10 1 1011 195 195 GLN CD C 180.67 0.10 1 1012 195 195 GLN N N 116.31 0.10 1 1013 196 196 THR C C 175.933 0.10 1 1014 196 196 THR CA C 67.694 0.10 1 1015 196 196 THR CG2 C 23.183 0.10 1 1016 196 196 THR N N 117.942 0.10 1 1017 197 197 ILE C C 177.649 0.10 1 1018 197 197 ILE CA C 63.708 0.10 1 1019 197 197 ILE CB C 37.2 0.10 1 1020 197 197 ILE CG2 C 18.64 0.10 1 1021 197 197 ILE N N 119.761 0.10 1 1022 198 198 ASP C C 177.035 0.10 1 1023 198 198 ASP CA C 58.895 0.10 1 1024 198 198 ASP CB C 43.959 0.10 1 1025 198 198 ASP CG C 177.78 0.10 1 1026 198 198 ASP N N 123.726 0.10 1 1027 199 199 THR C C 175.825 0.10 1 1028 199 199 THR CA C 68.018 0.10 1 1029 199 199 THR CG2 C 23.462 0.10 1 1030 199 199 THR N N 116.803 0.10 1 1031 200 200 PHE C C 178.541 0.10 1 1032 200 200 PHE CA C 61.964 0.10 1 1033 200 200 PHE CB C 38.951 0.10 1 1034 200 200 PHE CG C 138.899 0.10 1 1035 200 200 PHE N N 120.447 0.10 1 1036 201 201 LEU C C 178.527 0.10 1 1037 201 201 LEU CA C 58.424 0.10 1 1038 201 201 LEU CB C 41.708 0.10 1 1039 201 201 LEU CG C 27.193 0.10 1 1040 201 201 LEU CD1 C 26.924 0.10 2 1041 201 201 LEU CD2 C 22.402 0.10 2 1042 201 201 LEU N N 120.419 0.10 1 1043 202 202 PHE C C 174.565 0.10 1 1044 202 202 PHE CA C 60.745 0.10 1 1045 202 202 PHE CB C 35.806 0.10 1 1046 202 202 PHE CG C 140.382 0.10 1 1047 202 202 PHE CD1 C 131.45 0.10 3 1048 202 202 PHE N N 115.46 0.10 1 1049 203 203 CYS C C 175.268 0.10 1 1050 203 203 CYS CA C 62.7 0.10 1 1051 203 203 CYS CB C 28.519 0.10 1 1052 203 203 CYS N N 117.853 0.10 1 1053 204 204 LEU C C 178.317 0.10 1 1054 204 204 LEU CA C 59.025 0.10 1 1055 204 204 LEU CB C 43.876 0.10 1 1056 204 204 LEU CG C 27.022 0.10 1 1057 204 204 LEU CD1 C 24.936 0.10 2 1058 204 204 LEU CD2 C 25.78 0.10 2 1059 204 204 LEU N N 121.73 0.10 1 1060 205 205 LEU C C 180.015 0.10 1 1061 205 205 LEU CA C 59.943 0.10 1 1062 205 205 LEU CB C 38.21 0.10 1 1063 205 205 LEU CG C 27.543 0.10 1 1064 205 205 LEU CD1 C 23.953 0.10 2 1065 205 205 LEU CD2 C 22.532 0.10 2 1066 205 205 LEU N N 115.064 0.10 1 1067 206 206 PRO C C 177.442 0.10 1 1068 206 206 PRO CA C 66.401 0.10 1 1069 206 206 PRO CB C 29.294 0.10 1 1070 206 206 PRO CG C 28.489 0.10 1 1071 206 206 PRO CD C 51.156 0.10 1 1072 206 206 PRO N N 139.396 0.10 1 1073 207 207 PHE C C 177.942 0.10 1 1074 207 207 PHE CA C 63.601 0.10 1 1075 207 207 PHE CB C 38.795 0.10 1 1076 207 207 PHE CG C 137.867 0.10 1 1077 207 207 PHE N N 121.746 0.10 1 1078 208 208 PHE C C 179.505 0.10 1 1079 208 208 PHE CA C 63.4 0.10 1 1080 208 208 PHE CB C 38.813 0.10 1 1081 208 208 PHE CG C 141.581 0.10 1 1082 208 208 PHE N N 115.583 0.10 1 1083 209 209 SER C C 171.324 0.10 1 1084 209 209 SER CA C 60.523 0.10 1 1085 209 209 SER CB C 63.342 0.10 1 1086 209 209 SER N N 115.332 0.10 1 1087 210 210 LYS C C 173.029 0.10 1 1088 210 210 LYS CA C 57.244 0.10 1 1089 210 210 LYS CB C 33.288 0.10 1 1090 210 210 LYS CG C 29.435 0.10 1 1091 210 210 LYS CD C 30.327 0.10 1 1092 210 210 LYS CE C 55.67 0.10 1 1093 210 210 LYS N N 117.553 0.10 1 1094 210 210 LYS NZ N 177.2 0.10 1 1095 211 211 VAL C C 177.755 0.10 1 1096 211 211 VAL CA C 65.549 0.10 1 1097 211 211 VAL CB C 31.582 0.10 1 1098 211 211 VAL CG1 C 23.516 0.10 2 1099 211 211 VAL CG2 C 22.021 0.10 2 1100 211 211 VAL N N 117.124 0.10 1 1101 212 212 GLY C C 173.266 0.10 1 1102 212 212 GLY CA C 48.279 0.10 1 1103 212 212 GLY N N 101.799 0.10 1 1104 213 213 PHE C C 175.827 0.10 1 1105 213 213 PHE CA C 62.001 0.10 1 1106 213 213 PHE CB C 40.337 0.10 1 1107 213 213 PHE CG C 137.863 0.10 1 1108 213 213 PHE N N 120.244 0.10 1 1109 214 214 SER C C 175.213 0.10 1 1110 214 214 SER CA C 62.717 0.10 1 1111 214 214 SER N N 116.614 0.10 1 1112 215 215 PHE C C 176.33 0.10 1 1113 215 215 PHE CA C 63.044 0.10 1 1114 215 215 PHE CB C 40.267 0.10 1 1115 215 215 PHE N N 120.627 0.10 1 1116 216 216 LEU C C 179.962 0.10 1 1117 216 216 LEU CA C 57.364 0.10 1 1118 216 216 LEU CB C 42.83 0.10 1 1119 216 216 LEU CG C 22.659 0.10 1 1120 216 216 LEU N N 118.977 0.10 1 1121 217 217 ASP C C 177.057 0.10 1 1122 217 217 ASP CA C 57.809 0.10 1 1123 217 217 ASP CB C 42.233 0.10 1 1124 217 217 ASP CG C 176.14 0.10 1 1125 217 217 ASP N N 121.279 0.10 1 1126 218 218 LEU C C 180.782 0.10 1 1127 218 218 LEU CA C 57.981 0.10 1 1128 218 218 LEU CB C 41.903 0.10 1 1129 218 218 LEU CG C 26.053 0.10 1 1130 218 218 LEU CD1 C 25.857 0.10 2 1131 218 218 LEU CD2 C 21.483 0.10 2 1132 218 218 LEU N N 115.067 0.10 1 1133 219 219 HIS C C 178.294 0.10 1 1134 219 219 HIS CA C 61.39 0.10 1 1135 219 219 HIS CB C 31.64 0.10 1 1136 219 219 HIS N N 114.175 0.10 1 1137 220 220 GLY C C 176.686 0.10 1 1138 220 220 GLY CA C 47.445 0.10 1 1139 220 220 GLY N N 109.67 0.10 1 1140 221 221 LEU C C 179.354 0.10 1 1141 221 221 LEU CA C 57.618 0.10 1 1142 221 221 LEU CB C 41.473 0.10 1 1143 221 221 LEU N N 123.996 0.10 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'Residues showing double resonances.' loop_ _Experiment_label '2D NCA' '2D NCO' '3D CONCA' '3D NCACX' '3D NCOCX' '2D CC (DARR)' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Anabeana sensory rhodopsin' _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 41 41 MET C C 176.5 0.10 1 2 41 41 MET CA C 59.6 0.10 1 3 41 41 MET CB C 36.8 0.10 1 4 41 41 MET CG C 35.3 0.10 1 5 41 41 MET N N 110.7 0.10 1 6 42 42 PHE C C 177.2 0.10 1 7 42 42 PHE CA C 63 0.10 1 8 42 42 PHE CB C 40 0.10 1 9 42 42 PHE CG C 139.194 0.10 1 10 42 42 PHE N N 119.4 0.10 1 11 91 91 ALA C C 177.259 0.10 1 12 91 91 ALA CA C 53.7 0.10 1 13 91 91 ALA CB C 18.785 0.10 1 14 91 91 ALA N N 120.364 0.10 1 15 92 92 MET C C 176.794 0.10 1 16 92 92 MET CA C 53.35 0.10 1 17 92 92 MET CB C 33.194 0.10 1 18 92 92 MET CG C 34.106 0.10 1 19 92 92 MET CE C 17.235 0.10 1 20 92 92 MET N N 109.7 0.10 1 21 95 95 ILE C C 174.599 0.10 1 22 95 95 ILE CA C 59.1 0.10 1 23 95 95 ILE CB C 42.9 0.10 1 24 95 95 ILE CG1 C 24.322 0.10 1 25 95 95 ILE CG2 C 17.348 0.10 1 26 95 95 ILE CD1 C 15.743 0.10 1 27 95 95 ILE N N 111.127 0.10 1 28 152 152 ALA C C 180.3 0.10 1 29 152 152 ALA CA C 54.3 0.10 1 30 152 152 ALA CB C 17.972 0.10 1 31 152 152 ALA N N 119.4 0.10 1 32 153 153 LYS C C 176.34 0.10 1 33 153 153 LYS CA C 56 0.10 1 34 153 153 LYS N N 115.2 0.10 1 35 165 165 TYR C C 176.029 0.10 1 36 165 165 TYR CA C 63.4 0.10 1 37 165 165 TYR CB C 38.632 0.10 1 38 165 165 TYR CG C 129.412 0.10 1 39 165 165 TYR CD2 C 133.236 0.10 3 40 165 165 TYR CE1 C 115.281 0.10 3 41 165 165 TYR CE2 C 119.303 0.10 3 42 165 165 TYR CZ C 158.197 0.10 1 43 165 165 TYR N N 119.062 0.10 1 stop_ save_