data_27312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial solid-state NMR 1H, 13C, 15N resonance assignments of a perdeuterated back-exchanged seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _BMRB_accession_number 27312 _BMRB_flat_file_name bmr27312.str _Entry_type original _Submission_date 2017-11-13 _Accession_date 2017-11-13 _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 Bolton David R. . 2 Brown Leonid . . 3 Ladizhansky Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 95 "13C chemical shifts" 186 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-19 update BMRB 'update entry citation' 2018-03-29 original author 'original release' stop_ _Original_release_date 2017-11-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Partial solid-state NMR 1H, 13C, 15N resonance assignments of a perdeuterated back-exchanged seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29572785 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bolton David . . 2 Brown Leonid . . 3 Ladizhansky Vladimir . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 237 _Page_last 242 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ASR trimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ASR, chain 1' $ASR 'ASR, chain 2' $ASR 'ASR, chain 3' $ASR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_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_label 1 MET 2 ASN 3 LEU 4 GLU 5 SER 6 LEU 7 LEU 8 HIS 9 TRP 10 ILE 11 TYR 12 VAL 13 ALA 14 GLY 15 MET 16 THR 17 ILE 18 GLY 19 ALA 20 LEU 21 HIS 22 PHE 23 TRP 24 SER 25 LEU 26 SER 27 ARG 28 ASN 29 PRO 30 ARG 31 GLY 32 VAL 33 PRO 34 GLN 35 TYR 36 GLU 37 TYR 38 LEU 39 VAL 40 ALA 41 MET 42 PHE 43 ILE 44 PRO 45 ILE 46 TRP 47 SER 48 GLY 49 LEU 50 ALA 51 TYR 52 MET 53 ALA 54 MET 55 ALA 56 ILE 57 ASP 58 GLN 59 GLY 60 LYS 61 VAL 62 GLU 63 ALA 64 ALA 65 GLY 66 GLN 67 ILE 68 ALA 69 HIS 70 TYR 71 ALA 72 ARG 73 TYR 74 ILE 75 ASP 76 TRP 77 MET 78 VAL 79 THR 80 THR 81 PRO 82 LEU 83 LEU 84 LEU 85 LEU 86 SER 87 LEU 88 SER 89 TRP 90 THR 91 ALA 92 MET 93 GLN 94 PHE 95 ILE 96 LYS 97 LYS 98 ASP 99 TRP 100 THR 101 LEU 102 ILE 103 GLY 104 PHE 105 LEU 106 MET 107 SER 108 THR 109 GLN 110 ILE 111 VAL 112 VAL 113 ILE 114 THR 115 SER 116 GLY 117 LEU 118 ILE 119 ALA 120 ASP 121 LEU 122 SER 123 GLU 124 ARG 125 ASP 126 TRP 127 VAL 128 ARG 129 TYR 130 LEU 131 TRP 132 TYR 133 ILE 134 CYS 135 GLY 136 VAL 137 CYS 138 ALA 139 PHE 140 LEU 141 ILE 142 ILE 143 LEU 144 TRP 145 GLY 146 ILE 147 TRP 148 ASN 149 PRO 150 LEU 151 ARG 152 ALA 153 LYS 154 THR 155 ARG 156 THR 157 GLN 158 SER 159 SER 160 GLU 161 LEU 162 ALA 163 ASN 164 LEU 165 TYR 166 ASP 167 LYS 168 LEU 169 VAL 170 THR 171 TYR 172 PHE 173 THR 174 VAL 175 LEU 176 TRP 177 ILE 178 GLY 179 TYR 180 PRO 181 ILE 182 VAL 183 TRP 184 ILE 185 ILE 186 GLY 187 PRO 188 SER 189 GLY 190 PHE 191 GLY 192 TRP 193 ILE 194 ASN 195 GLN 196 THR 197 ILE 198 ASP 199 THR 200 PHE 201 LEU 202 PHE 203 CYS 204 LEU 205 LEU 206 PRO 207 PHE 208 PHE 209 SER 210 LYS 211 VAL 212 GLY 213 PHE 214 SER 215 PHE 216 LEU 217 ASP 218 LEU 219 HIS 220 GLY 221 LEU 222 ARG 223 ASN 224 LEU 225 ASN 226 ASP 227 SER 228 ARG 229 GLN 230 HIS 231 HIS 232 HIS 233 HIS 234 HIS 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 $ASR 'Anabaena variabilis' 264691 Bacteria . Anabaena variabilis 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 $ASR 'recombinant technology' . Escherichia coli . pKJ606 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_UCND_ASR _Saveframe_category sample _Sample_type liposome _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASR 1 mg '[U-100% 13C; U-100% 15N; U-80% 2H]' stop_ save_ save_RAP_ASR _Saveframe_category sample _Sample_type liposome _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASR 1 mg '[U-100% 13C; U-100% 15N, 15% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' processing 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_3D_CONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $UCND_ASR save_ save_3D_CANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $UCND_ASR save_ save_3D_(CO)CA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (CO)CA(CO)NH' _Sample_label $UCND_ASR save_ save_3D_CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO(CA)NH' _Sample_label $UCND_ASR save_ save_3D_CONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $RAP_ASR save_ save_3D_CANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $RAP_ASR 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 . pH temperature 273 . 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 carbon ppm 0 external indirect . . . 1.0 DSS H 1 protons ppm 0 external direct . . . 3.976941392 DSS N 15 nitrogen ppm 0 external indirect . . . 0.402979940 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 CONH' '3D CANH' '3D (CO)CA(CO)NH' '3D CO(CA)NH' stop_ loop_ _Sample_label $UCND_ASR $RAP_ASR stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ASR, chain 1' _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 177 0.25 1 2 7 7 LEU H H 8.525 0.15 1 3 7 7 LEU C C 178.37 0.25 1 4 7 7 LEU CA C 58.252 0.25 1 5 7 7 LEU N N 116.82 0.3 1 6 8 8 HIS H H 8.173 0.15 1 7 8 8 HIS CA C 63.134 0.25 1 8 8 8 HIS N N 115.06 0.3 1 9 13 13 ALA C C 179.83 0.25 1 10 14 14 GLY H H 8.553 0.15 1 11 14 14 GLY CA C 47.315 0.25 1 12 14 14 GLY N N 106.2 0.3 1 13 24 24 SER C C 178.95 0.25 1 14 25 25 LEU H H 8.072 0.15 1 15 25 25 LEU CA C 56.784 0.25 1 16 25 25 LEU N N 119.05 0.3 1 17 30 30 ARG CA C 52.1 0.25 1 18 31 31 GLY H H 7.077 0.15 1 19 31 31 GLY C C 174.17 0.25 1 20 31 31 GLY CA C 45.018 0.25 1 21 31 31 GLY N N 102.74 0.3 1 22 32 32 VAL H H 7.156 0.15 1 23 32 32 VAL CA C 59.423 0.25 1 24 32 32 VAL N N 125.02 0.3 1 25 41 41 MET C C 177 0.25 1 26 42 42 PHE H H 9.131 0.15 1 27 42 42 PHE C C 177.1 0.25 1 28 42 42 PHE CA C 62.393 0.25 1 29 42 42 PHE N N 119.55 0.3 1 30 43 43 ILE H H 8.935 0.15 1 31 43 43 ILE CA C 67.626 0.25 1 32 43 43 ILE N N 115.26 0.3 1 33 45 45 ILE C C 176.3 0.25 1 34 46 46 TRP H H 8.465 0.15 1 35 46 46 TRP CA C 60.886 0.25 1 36 46 46 TRP N N 120.04 0.3 1 37 47 47 SER C C 178.47 0.25 1 38 48 48 GLY H H 8.553 0.15 1 39 48 48 GLY C C 175.05 0.25 1 40 48 48 GLY CA C 47.313 0.25 1 41 48 48 GLY N N 106.47 0.3 1 42 49 49 LEU H H 8.815 0.15 1 43 49 49 LEU CA C 57.763 0.25 1 44 49 49 LEU N N 120.92 0.3 1 45 50 50 ALA C C 178.78 0.25 1 46 51 51 TYR H H 7.416 0.15 1 47 51 51 TYR CA C 60.007 0.25 1 48 51 51 TYR N N 119.44 0.3 1 49 54 54 MET C C 180.712 0.25 1 50 55 55 ALA H H 8.192 0.15 1 51 55 55 ALA C C 179.442 0.25 1 52 55 55 ALA CA C 55.224 0.25 1 53 55 55 ALA N N 126.585 0.3 1 54 56 56 ILE H H 7.156 0.15 1 55 56 56 ILE C C 174.56 0.25 1 56 56 56 ILE CA C 60.302 0.25 1 57 56 56 ILE N N 110.471 0.3 1 58 57 57 ASP H H 7.723 0.15 1 59 57 57 ASP C C 175.146 0.25 1 60 57 57 ASP CA C 56.494 0.25 1 61 57 57 ASP N N 114.67 0.3 1 62 58 58 GLN H H 7.508 0.15 1 63 58 58 GLN C C 175.243 0.25 1 64 58 58 GLN CA C 54.638 0.25 1 65 58 58 GLN N N 117.6 0.3 1 66 59 59 GLY H H 7.821 0.15 1 67 59 59 GLY C C 172.314 0.25 1 68 59 59 GLY CA C 45.655 0.25 1 69 59 59 GLY N N 101.095 0.3 1 70 60 60 LYS H H 6.823 0.15 1 71 60 60 LYS C C 175.732 0.25 1 72 60 60 LYS CA C 53.662 0.25 1 73 60 60 LYS N N 113.596 0.3 1 74 61 61 VAL H H 8.173 0.15 1 75 61 61 VAL C C 171.826 0.25 1 76 61 61 VAL CA C 59.61 0.25 1 77 61 61 VAL N N 120.335 0.3 1 78 62 62 GLU H H 8.662 0.15 1 79 62 62 GLU C C 175.829 0.25 1 80 62 62 GLU CA C 56.494 0.25 1 81 62 62 GLU N N 127.562 0.3 1 82 63 63 ALA H H 8.974 0.15 1 83 63 63 ALA C C 176.708 0.25 1 84 63 63 ALA CA C 52.002 0.25 1 85 63 63 ALA N N 127.855 0.3 1 86 64 64 ALA H H 9.6 0.15 1 87 64 64 ALA C C 177.489 0.25 1 88 64 64 ALA CA C 52.685 0.25 1 89 64 64 ALA N N 126.781 0.3 1 90 65 65 GLY H H 8.896 0.15 1 91 65 65 GLY C C 173.193 0.25 1 92 65 65 GLY CA C 45.85 0.25 1 93 65 65 GLY N N 103.341 0.3 1 94 66 66 GLN H H 7.958 0.15 1 95 66 66 GLN C C 172.314 0.25 1 96 66 66 GLN CA C 52.685 0.25 1 97 66 66 GLN N N 117.405 0.3 1 98 67 67 ILE H H 8.798 0.15 1 99 67 67 ILE C C 176.708 0.25 1 100 67 67 ILE CA C 58.74 0.25 1 101 67 67 ILE N N 118.577 0.3 1 102 68 68 ALA H H 9.483 0.15 1 103 68 68 ALA C C 176.981 0.25 1 104 68 68 ALA CA C 50.732 0.25 1 105 68 68 ALA N N 133.52 0.3 1 106 71 71 ALA C C 178.856 0.25 1 107 72 72 ARG H H 7.195 0.15 1 108 72 72 ARG CA C 59.033 0.25 1 109 72 72 ARG N N 113.498 0.3 1 110 73 73 TYR C C 177.587 0.25 1 111 74 74 ILE H H 8.072 0.15 1 112 74 74 ILE C C 177.977 0.25 1 113 74 74 ILE CA C 65.672 0.25 1 114 74 74 ILE N N 119.638 0.3 1 115 75 75 ASP H H 7.153 0.15 1 116 75 75 ASP CA C 55.808 0.25 1 117 75 75 ASP N N 115.536 0.3 1 118 87 87 LEU C C 178.172 0.25 1 119 88 88 SER H H 9.165 0.15 1 120 88 88 SER C C 177.293 0.25 1 121 88 88 SER CA C 62.546 0.25 1 122 88 88 SER N N 116.81 0.3 1 123 89 89 TRP H H 8.203 0.15 1 124 89 89 TRP C C 180.028 0.25 1 125 89 89 TRP CA C 58.249 0.25 1 126 89 89 TRP N N 121.908 0.3 1 127 90 90 THR H H 7.782 0.15 1 128 90 90 THR C C 175.732 0.25 1 129 90 90 THR CA C 68.603 0.25 1 130 90 90 THR N N 118.479 0.3 1 131 91 91 ALA H H 7.634 0.15 1 132 91 91 ALA C C 177.489 0.25 1 133 91 91 ALA CA C 53.953 0.25 1 134 91 91 ALA N N 120.126 0.3 1 135 92 92 MET H H 8.544 0.15 1 136 92 92 MET C C 176.801 0.25 1 137 92 92 MET N N 108.322 0.3 1 138 93 93 GLN H H 8.798 0.15 1 139 93 93 GLN C C 177.392 0.25 1 140 93 93 GLN CA C 59.619 0.25 1 141 93 93 GLN N N 122.19 0.3 1 142 94 94 PHE H H 6.999 0.15 1 143 94 94 PHE C C 175.536 0.25 1 144 94 94 PHE CA C 56.006 0.25 1 145 94 94 PHE N N 112.424 0.3 1 146 95 95 ILE H H 6.98 0.15 1 147 95 95 ILE CA C 58.837 0.25 1 148 95 95 ILE N N 111.252 0.3 1 149 99 99 TRP C C 177.489 0.25 1 150 100 100 THR H H 7.469 0.15 1 151 100 100 THR C C 176.122 0.25 1 152 100 100 THR CA C 64.696 0.25 1 153 100 100 THR N N 108.908 0.3 1 154 101 101 LEU H H 8.583 0.15 1 155 101 101 LEU C C 178.368 0.25 1 156 101 101 LEU CA C 57.666 0.25 1 157 101 101 LEU N N 123.753 0.3 1 158 102 102 ILE H H 7.645 0.15 1 159 102 102 ILE C C 177.685 0.25 1 160 102 102 ILE CA C 66.357 0.25 1 161 102 102 ILE N N 116.721 0.3 1 162 103 103 GLY H H 7.853 0.15 1 163 103 103 GLY CA C 47.313 0.25 1 164 103 103 GLY N N 107.625 0.3 1 165 104 104 PHE C C 176.024 0.25 1 166 105 105 LEU H H 7.678 0.15 1 167 105 105 LEU C C 178.465 0.25 1 168 105 105 LEU CA C 57.273 0.25 1 169 105 105 LEU N N 123.154 0.3 1 170 106 106 MET H H 8.028 0.15 1 171 106 106 MET CA C 60.888 0.25 1 172 106 106 MET N N 113.498 0.3 1 173 109 109 GLN C C 178.172 0.25 1 174 110 110 ILE H H 8.072 0.15 1 175 110 110 ILE CA C 63.696 0.25 1 176 110 110 ILE N N 120.126 0.3 1 177 114 114 THR C C 175.438 0.25 1 178 115 115 SER H H 8.859 0.15 1 179 115 115 SER C C 176.61 0.25 1 180 115 115 SER CA C 63.741 0.25 1 181 115 115 SER N N 106.466 0.3 1 182 116 116 GLY H H 7.853 0.15 1 183 116 116 GLY C C 174.169 0.25 1 184 116 116 GLY CA C 47.313 0.25 1 185 116 116 GLY N N 106.466 0.3 1 186 117 117 LEU H H 8.159 0.15 1 187 117 117 LEU CA C 56.589 0.25 1 188 117 117 LEU N N 122.959 0.3 1 189 124 124 ARG H H 7.567 0.15 1 190 124 124 ARG C C 177.509 0.25 1 191 124 124 ARG CA C 54.931 0.25 1 192 124 124 ARG N N 117.797 0.3 1 193 125 125 ASP H H 9.467 0.15 1 194 125 125 ASP C C 177.489 0.25 1 195 125 125 ASP CA C 57.861 0.25 1 196 125 125 ASP N N 125.413 0.3 1 197 126 126 TRP H H 8.602 0.15 1 198 126 126 TRP C C 176.493 0.25 1 199 126 126 TRP CA C 59.716 0.25 1 200 126 126 TRP N N 115.843 0.3 1 201 127 127 VAL H H 5.787 0.15 1 202 127 127 VAL C C 176.844 0.25 1 203 127 127 VAL CA C 65.38 0.25 1 204 127 127 VAL N N 121.702 0.3 1 205 128 128 ARG H H 6.96 0.15 1 206 128 128 ARG CA C 59.716 0.25 1 207 128 128 ARG N N 119.594 0.3 1 208 129 129 TYR C C 177.685 0.25 1 209 130 130 LEU H H 8.094 0.15 1 210 130 130 LEU C C 178.661 0.25 1 211 130 130 LEU CA C 58.544 0.25 1 212 130 130 LEU N N 122.776 0.3 1 213 131 131 TRP H H 8.212 0.15 1 214 131 131 TRP C C 178.915 0.25 1 215 131 131 TRP CA C 60.497 0.25 1 216 131 131 TRP N N 119.065 0.3 1 217 132 132 TYR H H 6.647 0.15 1 218 132 132 TYR C C 176.844 0.25 1 219 132 132 TYR CA C 61.867 0.25 1 220 132 132 TYR N N 119.163 0.3 1 221 138 138 ALA C C 177.391 0.25 1 222 139 139 PHE H H 8.596 0.15 1 223 139 139 PHE CA C 59.032 0.25 1 224 139 139 PHE N N 119.065 0.3 1 225 144 144 TRP C C 178.465 0.25 1 226 145 145 GLY H H 8.553 0.15 1 227 145 145 GLY CA C 47.02 0.25 1 228 145 145 GLY N N 107.821 0.3 1 229 146 146 ILE C C 178.953 0.25 1 230 147 147 TRP H H 8.247 0.15 1 231 147 147 TRP CA C 59.619 0.25 1 232 147 147 TRP N N 119.955 0.3 1 233 157 157 GLN H H 8.602 0.15 1 234 157 157 GLN CA C 54.944 0.25 1 235 157 157 GLN N N 120.53 0.3 1 236 158 158 SER H H 7.625 0.15 1 237 158 158 SER C C 174.658 0.25 1 238 158 158 SER CA C 57.177 0.25 1 239 158 158 SER N N 112.619 0.3 1 240 159 159 SER H H 7.657 0.15 1 241 159 159 SER C C 176.708 0.25 1 242 159 159 SER CA C 60.888 0.25 1 243 159 159 SER N N 117.795 0.3 1 244 160 160 GLU H H 8.036 0.15 1 245 160 160 GLU C C 179.658 0.25 1 246 160 160 GLU N N 119.749 0.3 1 247 161 161 LEU H H 8.159 0.15 1 248 161 161 LEU C C 178.953 0.25 1 249 161 161 LEU CA C 56.589 0.25 1 250 161 161 LEU N N 125.107 0.3 1 251 162 162 ALA H H 7.94 0.15 1 252 162 162 ALA CA C 56.101 0.25 1 253 162 162 ALA N N 122.959 0.3 1 254 167 167 LYS C C 178.173 0.25 1 255 168 168 LEU H H 7.899 0.15 1 256 168 168 LEU CA C 57.47 0.25 1 257 168 168 LEU N N 119.358 0.3 1 258 169 169 VAL C C 178.954 0.25 1 259 170 170 THR H H 7.41 0.15 1 260 170 170 THR C C 175.243 0.25 1 261 170 170 THR CA C 69.091 0.25 1 262 170 170 THR N N 124.632 0.3 1 263 171 171 TYR H H 7.821 0.15 1 264 171 171 TYR C C 175.438 0.25 1 265 171 171 TYR CA C 62.451 0.25 1 266 171 171 TYR N N 122.386 0.3 1 267 172 172 PHE H H 8.99 0.15 1 268 172 172 PHE CA C 60.106 0.25 1 269 172 172 PHE N N 118.088 0.3 1 270 173 173 THR C C 175.438 0.25 1 271 174 174 VAL H H 8.859 0.15 1 272 174 174 VAL CA C 66.842 0.25 1 273 174 174 VAL N N 117.978 0.3 1 274 175 175 LEU C C 180.222 0.25 1 275 176 176 TRP H H 7.897 0.15 1 276 176 176 TRP CA C 62.643 0.25 1 277 176 176 TRP N N 117.294 0.3 1 278 187 187 PRO C C 177.489 0.25 1 279 188 188 SER H H 7.351 0.15 1 280 188 188 SER C C 172.607 0.25 1 281 188 188 SER N N 109.103 0.3 1 282 189 189 GLY H H 7.39 0.15 1 283 189 189 GLY C C 174.169 0.25 1 284 189 189 GLY CA C 43.897 0.25 1 285 189 189 GLY N N 108.42 0.3 1 286 190 190 PHE H H 7.156 0.15 1 287 190 190 PHE C C 177.685 0.25 1 288 190 190 PHE CA C 56.494 0.25 1 289 190 190 PHE N N 125.023 0.3 1 290 191 191 GLY H H 7.899 0.15 1 291 191 191 GLY C C 175.146 0.25 1 292 191 191 GLY CA C 46.436 0.25 1 293 191 191 GLY N N 105.392 0.3 1 294 192 192 TRP H H 7.175 0.15 1 295 192 192 TRP C C 177.177 0.25 1 296 192 192 TRP N N 120.921 0.3 1 297 193 193 ILE C C 175.634 0.25 1 298 194 194 ASN H H 7.853 0.15 1 299 194 194 ASN CA C 50.732 0.25 1 300 194 194 ASN N N 117.6 0.3 1 301 195 195 GLN C C 176.903 0.25 1 302 196 196 THR H H 7.997 0.15 1 303 196 196 THR CA C 67.235 0.25 1 304 196 196 THR N N 117.112 0.3 1 305 197 197 ILE C C 177.196 0.25 1 306 198 198 ASP H H 8.115 0.15 1 307 198 198 ASP CA C 58.151 0.25 1 308 198 198 ASP N N 123.154 0.3 1 309 199 199 THR C C 175.243 0.25 1 310 200 200 PHE H H 7.416 0.15 1 311 200 200 PHE C C 179.169 0.25 1 312 200 200 PHE CA C 61.471 0.25 1 313 200 200 PHE N N 119.443 0.3 1 314 201 201 LEU H H 8.115 0.15 1 315 201 201 LEU CA C 58.151 0.25 1 316 201 201 LEU N N 120.154 0.3 1 317 202 202 PHE C C 175.438 0.25 1 318 203 203 CYS H H 8.859 0.15 1 319 203 203 CYS CA C 62.741 0.25 1 320 203 203 CYS N N 117.978 0.3 1 321 204 204 LEU C C 178.368 0.25 1 322 205 205 LEU H H 7.664 0.15 1 323 205 205 LEU CA C 59.128 0.25 1 324 205 205 LEU N N 115.256 0.3 1 325 207 207 PHE C C 178.368 0.25 1 326 208 208 PHE H H 7.527 0.15 1 327 208 208 PHE C C 179.638 0.25 1 328 208 208 PHE CA C 62.939 0.25 1 329 208 208 PHE N N 115.256 0.3 1 330 209 209 SER H H 8.759 0.15 1 331 209 209 SER C C 171.337 0.25 1 332 209 209 SER CA C 60.107 0.25 1 333 209 209 SER N N 114.963 0.3 1 334 210 210 LYS H H 7.606 0.15 1 335 210 210 LYS C C 173.29 0.25 1 336 210 210 LYS CA C 56.982 0.25 1 337 210 210 LYS N N 117.104 0.3 1 338 211 211 VAL H H 8.525 0.15 1 339 211 211 VAL C C 177.685 0.25 1 340 211 211 VAL CA C 65.282 0.25 1 341 211 211 VAL N N 116.721 0.3 1 342 212 212 GLY H H 7.703 0.15 1 343 212 212 GLY C C 173.486 0.25 1 344 212 212 GLY CA C 47.901 0.25 1 345 212 212 GLY N N 101.29 0.3 1 346 213 213 PHE H H 7.019 0.15 1 347 213 213 PHE C C 175.927 0.25 1 348 213 213 PHE CA C 61.865 0.25 1 349 213 213 PHE N N 119.846 0.3 1 350 214 214 SER H H 8.114 0.15 1 351 214 214 SER CA C 62.548 0.25 1 352 214 214 SER N N 116.233 0.3 1 353 215 215 PHE C C 176.122 0.25 1 354 216 216 LEU H H 8.486 0.15 1 355 216 216 LEU C C 179.931 0.25 1 356 216 216 LEU CA C 56.787 0.25 1 357 216 216 LEU N N 118.186 0.3 1 358 217 217 ASP H H 8.622 0.15 1 359 217 217 ASP C C 177.685 0.25 1 360 217 217 ASP CA C 57.666 0.25 1 361 217 217 ASP N N 120.53 0.3 1 362 218 218 LEU H H 8.525 0.15 1 363 218 218 LEU C C 180.712 0.25 1 364 218 218 LEU CA C 57.568 0.25 1 365 218 218 LEU N N 114.377 0.3 1 366 219 219 HIS H H 7.136 0.15 1 367 219 219 HIS C C 178.661 0.25 1 368 219 219 HIS CA C 61.181 0.25 1 369 219 219 HIS N N 113.791 0.3 1 370 220 220 GLY H H 7.879 0.15 1 371 220 220 GLY C C 176.611 0.25 1 372 220 220 GLY CA C 47.119 0.25 1 373 220 220 GLY N N 109.299 0.3 1 374 221 221 LEU H H 8.896 0.15 1 375 221 221 LEU CA C 57.666 0.25 1 376 221 221 LEU N N 123.46 0.3 1 stop_ save_