data_1162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H-NMR assignment and conformation of proteolytic fragment 163-231 of bacterioopsin ; _BMRB_accession_number 1162 _BMRB_flat_file_name bmr1162.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Barsukov Igor L. . 2 Abdulaeva Galina V. . 3 Arseniev Alexander S. . 4 Bystrov Vladimir F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 332 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Barsukov, Igor L., Abdulaeva, Galina V., Arseniev, Alexander S., Bystrov, Vladimir F., "Sequence-specific 1H-NMR assignment and conformation of proteolytic fragment 163-231 of bacterioopsin," Eur. J. Biochem. 192, 321-327 (1990). ; _Citation_title ; Sequence-specific 1H-NMR assignment and conformation of proteolytic fragment 163-231 of bacterioopsin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barsukov Igor L. . 2 Abdulaeva Galina V. . 3 Arseniev Alexander S. . 4 Bystrov Vladimir F. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 192 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 321 _Page_last 327 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_bacteriorhodopsin _Saveframe_category molecular_system _Mol_system_name bacteriorhodopsin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label bacteriorhodopsin $bacteriorhodopsin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bacteriorhodopsin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bacteriorhodopsin _Name_variant 'residues 163-231' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; MRPQVASTFKVLRNVTVVLW SAYPVVWLIGSEGAGIVPLN IETLLFMVLDVSAKVGFGLI LLRSRAIFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 PRO 4 GLN 5 VAL 6 ALA 7 SER 8 THR 9 PHE 10 LYS 11 VAL 12 LEU 13 ARG 14 ASN 15 VAL 16 THR 17 VAL 18 VAL 19 LEU 20 TRP 21 SER 22 ALA 23 TYR 24 PRO 25 VAL 26 VAL 27 TRP 28 LEU 29 ILE 30 GLY 31 SER 32 GLU 33 GLY 34 ALA 35 GLY 36 ILE 37 VAL 38 PRO 39 LEU 40 ASN 41 ILE 42 GLU 43 THR 44 LEU 45 LEU 46 PHE 47 MET 48 VAL 49 LEU 50 ASP 51 VAL 52 SER 53 ALA 54 LYS 55 VAL 56 GLY 57 PHE 58 GLY 59 LEU 60 ILE 61 LEU 62 LEU 63 ARG 64 SER 65 ARG 66 ALA 67 ILE 68 PHE 69 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 17361 bR 100.00 249 98.55 100.00 9.29e-37 PDB 1AP9 "X-Ray Structure Of Bacteriorhodopsin From Microcrystals Grown In Lipidic Cubic Phases" 100.00 248 98.55 100.00 9.58e-37 PDB 1AT9 "Structure Of Bacteriorhodopsin At 3.0 Angstrom Determined By Electron Crystallography" 100.00 248 98.55 100.00 9.68e-37 PDB 1BCT "Three-Dimensional Structure Of Proteolytic Fragment 163-231 Of Bacterioopsin Determined From Nuclear Magnetic Resonance Data In" 100.00 69 98.55 100.00 1.84e-38 PDB 1BM1 "Crystal Structure Of Bacteriorhodopsin In The Light-adapted State" 100.00 248 98.55 100.00 9.68e-37 PDB 1BRD "Model For The Structure Of Bacteriorhodopsin Based On High-R Electron Cryo-Microscopy" 100.00 248 98.55 100.00 9.68e-37 PDB 1BRR "X-Ray Structure Of The Bacteriorhodopsin TrimerLIPID COMPLEX" 100.00 247 98.55 100.00 9.36e-37 PDB 1BRX "BacteriorhodopsinLIPID COMPLEX" 100.00 248 98.55 100.00 9.68e-37 PDB 1C3W "BacteriorhodopsinLIPID COMPLEX AT 1.55 A RESOLUTION" 100.00 222 98.55 100.00 7.48e-37 PDB 1C8R "Bacteriorhodopsin D96n Br State At 2.0 A Resolution" 100.00 249 98.55 100.00 9.70e-37 PDB 1C8S "Bacteriorhodopsin D96n Late M State Intermediate" 72.46 196 98.00 98.00 8.27e-22 PDB 1CWQ "M Intermediate Structure Of The Wild Type Bacteriorhodopsin In Combination With The Ground State Structure" 100.00 248 98.55 100.00 8.61e-37 PDB 1DZE "Structure Of The M Intermediate Of Bacteriorhodopsin Trapped At 100k" 100.00 248 98.55 100.00 9.58e-37 PDB 1E0P "L Intermediate Of Bacteriorhodopsin" 100.00 228 98.55 100.00 7.78e-37 PDB 1F4Z "Bacteriorhodopsin-M Photointermediate State Of The E204q Mutant At 1.8 Angstrom Resolution" 100.00 227 97.10 100.00 2.47e-36 PDB 1F50 "Bacteriorhodopsin-br State Of The E204q Mutant At 1.7 Angstrom Resolution" 100.00 227 97.10 100.00 2.47e-36 PDB 1FBB "Crystal Structure Of Native Conformation Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1IW6 "Crystal Structure Of The Ground State Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1IW9 "Crystal Structure Of The M Intermediate Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1IXF "Crystal Structure Of The K Intermediate Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1JV6 "Bacteriorhodopsin D85sF219L DOUBLE MUTANT AT 2.00 ANGSTROM Resolution" 100.00 249 97.10 98.55 7.69e-36 PDB 1JV7 "Bacteriorhodopsin O-like Intermediate State Of The D85s Mutant At 2.25 Angstrom Resolution" 100.00 249 98.55 100.00 9.29e-37 PDB 1KG8 "X-Ray Structure Of An Early-M Intermediate Of Bacteriorhodopsin" 100.00 231 98.55 100.00 8.28e-37 PDB 1KG9 'Structure Of A "mock-Trapped" Early-M Intermediate Of Bacteriorhosopsin' 100.00 231 98.55 100.00 8.28e-37 PDB 1KGB "Structure Of Ground-State Bacteriorhodopsin" 100.00 231 98.55 100.00 8.28e-37 PDB 1KME "Crystal Structure Of Bacteriorhodopsin Crystallized From Bicelles" 100.00 231 98.55 100.00 8.28e-37 PDB 1L0M "Solution Structure Of Bacteriorhodopsin" 81.16 212 98.21 100.00 9.46e-28 PDB 1M0K "Bacteriorhodopsin K Intermediate At 1.43 A Resolution" 100.00 262 98.55 100.00 1.18e-36 PDB 1M0L "BacteriorhodopsinLIPID COMPLEX AT 1.47 A RESOLUTION" 100.00 262 98.55 100.00 1.18e-36 PDB 1M0M "Bacteriorhodopsin M1 Intermediate At 1.43 A Resolution" 100.00 262 98.55 100.00 1.18e-36 PDB 1MGY "Structure Of The D85s Mutant Of Bacteriorhodopsin With Bromide Bound" 100.00 249 98.55 100.00 9.29e-37 PDB 1O0A "Bacteriorhodopsin L Intermediate At 1.62 A Resolution" 100.00 249 98.55 100.00 9.29e-37 PDB 1P8H "Bacteriorhodopsin M1 Intermediate Produced At Room Temperature" 100.00 249 98.55 100.00 9.29e-37 PDB 1P8I "F219l Bacteriorhodopsin Mutant" 100.00 249 97.10 98.55 8.20e-36 PDB 1P8U "Bacteriorhodopsin N' Intermediate At 1.62 A Resolution" 100.00 249 98.55 100.00 9.10e-37 PDB 1PXR "Structure Of Pro50ala Mutant Of Bacteriorhodopsin" 100.00 249 98.55 100.00 7.59e-37 PDB 1PXS "Structure Of Met56ala Mutant Of Bacteriorhodopsin" 100.00 249 98.55 100.00 8.90e-37 PDB 1PY6 "Bacteriorhodopsin Crystallized From Bicells" 100.00 249 98.55 100.00 9.29e-37 PDB 1Q5I "Crystal Structure Of Bacteriorhodopsin Mutant P186a Crystallized From Bicelles" 100.00 249 97.10 98.55 1.49e-35 PDB 1Q5J "Crystal Structure Of Bacteriorhodopsin Mutant P91a Crystallized From Bicelles" 100.00 249 98.55 100.00 7.59e-37 PDB 1QHJ "X-Ray Structure Of Bacteriorhodopsin Grown In Lipidic Cubic Phases" 100.00 248 98.55 100.00 9.58e-37 PDB 1QKO "High Resolution X-Ray Structure Of An Early Intermediate In The Bacteriorhodopsin Photocycle" 100.00 248 98.55 100.00 9.58e-37 PDB 1QKP "High Resolution X-Ray Structure Of An Early Intermediate In The Bacteriorhodopsin Photocycle" 100.00 248 98.55 100.00 9.58e-37 PDB 1QM8 "Structure Of Bacteriorhodopsin At 100 K" 100.00 248 98.55 100.00 9.58e-37 PDB 1R2N "Nmr Structure Of The All-trans Retinal In Dark-adapted Bacteriorhodopsin" 100.00 249 98.55 100.00 9.29e-37 PDB 1R84 "Nmr Structure Of The 13-cis-15-syn Retinal In Dark_adapted Bacteriorhodopsin" 100.00 232 98.55 100.00 7.95e-37 PDB 1S51 "Thr24ser Bacteriorhodopsin" 100.00 227 98.55 100.00 7.84e-37 PDB 1S52 "Thr24val Bacteriorhodopsin" 100.00 227 98.55 100.00 7.59e-37 PDB 1S53 "Thr46ser Bacteriorhodopsin" 100.00 227 98.55 100.00 7.84e-37 PDB 1S54 "Thr24ala Bacteriorhodopsin" 100.00 227 98.55 100.00 8.19e-37 PDB 1S8J "Nitrate-Bound D85s Mutant Of Bacteriorhodopsin" 100.00 249 98.55 100.00 9.29e-37 PDB 1S8L "Anion-Free Form Of The D85s Mutant Of Bacteriorhodopsin From Crystals Grown In The Presence Of Halide" 100.00 249 98.55 100.00 9.29e-37 PDB 1TN0 "Structure Of Bacterorhodopsin Mutant A51p" 100.00 249 98.55 100.00 1.15e-36 PDB 1TN5 "Structure Of Bacterorhodopsin Mutant K41p" 100.00 249 98.55 100.00 1.00e-36 PDB 1UCQ "Crystal Structure Of The L Intermediate Of Bacteriorhodopsin" 100.00 249 98.55 100.00 9.29e-37 PDB 1VJM "Deformation Of Helix C In The Low-Temperature L-Intermediate Of Bacteriorhodopsin" 100.00 249 98.55 100.00 9.29e-37 PDB 1X0I "Crystal Structure Of The Acid Blue Form Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1X0K "Crystal Structure Of Bacteriorhodopsin At Ph 10" 100.00 248 98.55 100.00 9.58e-37 PDB 1X0S "Crystal Structure Of The 13-Cis Isomer Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 1XJI "Bacteriorhodopsin Crystallized In Bicelles At Room Temperature" 100.00 247 98.55 100.00 9.46e-37 PDB 2AT9 "Structure Of Bacteriorhodopsin At 3.0 Angstrom By Electron Crystallography" 100.00 248 98.55 100.00 9.68e-37 PDB 2BRD "Crystal Structure Of Bacteriorhodopsin In Purple Membrane" 100.00 248 98.55 100.00 9.68e-37 PDB 2I1X "BacteriorhodopsinLIPID COMPLEX, D96A MUTANT" 100.00 249 98.55 100.00 9.10e-37 PDB 2I20 "BacteriorhodopsinLIPID COMPLEX, M STATE OF D96A MUTANT" 100.00 249 98.55 100.00 9.10e-37 PDB 2I21 "BacteriorhodopsinLIPID COMPLEX, T46V MUTANT" 100.00 249 98.55 100.00 1.01e-36 PDB 2NTU "Bacteriorhodopsin, Wild Type, Before Illumination" 100.00 249 98.55 100.00 9.29e-37 PDB 2NTW "Bacteriorhodopsin, Wild Type, After Illumination To Produce The L Intermediate" 100.00 249 98.55 100.00 9.29e-37 PDB 2WJK "Bacteriorhodopsin Mutant E204d" 100.00 249 97.10 100.00 2.85e-36 PDB 2WJL "Bacteriorhodopsin Mutant E194d" 100.00 249 97.10 100.00 2.85e-36 PDB 2ZFE "Crystal Structure Of Bacteriorhodopsin-Xenon Complex" 100.00 262 98.55 100.00 1.18e-36 PDB 2ZZL "Structure Of Bacteriorhodopsin's M Intermediate At Ph 7" 100.00 262 98.55 100.00 1.18e-36 PDB 3COC "Crystal Structure Of D115a Mutant Of Bacteriorhodopsin" 100.00 249 98.55 100.00 9.10e-37 PDB 3COD "Crystal Structure Of T90aD115A MUTANT OF BACTERIORHODOPSIN" 100.00 249 98.55 100.00 8.90e-37 PDB 3HAN "Crystal Structure Of Bacteriorhodopsin Mutant V49a Crystallized From Bicelles" 100.00 249 98.55 100.00 9.10e-37 PDB 3HAO "Crystal Structure Of Bacteriorhodopsin Mutant L94a Crystallized From Bicelles" 100.00 249 98.55 100.00 8.72e-37 PDB 3HAP "Crystal Structure Of Bacteriorhodopsin Mutant L111a Crystallized From Bicelles" 100.00 249 98.55 100.00 8.72e-37 PDB 3HAQ "Crystal Structure Of Bacteriorhodopsin Mutant I148a Crystallized From Bicelles" 100.00 249 98.55 100.00 8.72e-37 PDB 3HAR "Crystal Structure Of Bacteriorhodopsin Mutant I148v Crystallized From Bicelles" 100.00 249 98.55 100.00 8.81e-37 PDB 3HAS "Crystal Structure Of Bacteriorhodopsin Mutant L152a Crystallized From Bicelles" 100.00 249 98.55 100.00 8.72e-37 PDB 3MBV "Structure Of Bacterirhodopsin Crystallized In Betta-Xyloc(16+4) Meso Phase" 100.00 248 98.55 100.00 9.58e-37 PDB 3NS0 "X-Ray Structure Of Bacteriorhodopsin" 100.00 248 98.55 100.00 9.58e-37 PDB 3NSB "Structure Of Bacteriorhodopsin Ground State Before And After X-Ray Modification" 100.00 248 98.55 100.00 9.58e-37 PDB 3T45 "Crystal Structure Of Bacteriorhodopsin Mutant A215t, A Phototaxis Signaling Mutant At 3.0 A Resolution" 100.00 225 97.10 98.55 3.35e-36 PDB 3UTV "Crystal Structure Of Bacteriorhodopsin Mutant Y57f" 100.00 249 98.55 100.00 9.91e-37 PDB 3UTW "Crystal Structure Of Bacteriorhodopsin Mutant P50a/y57f" 100.00 249 98.55 100.00 8.62e-37 PDB 3UTX "Crystal Structure Of Bacteriorhodopsin Mutant T46a" 100.00 249 98.55 100.00 9.49e-37 PDB 3UTY "Crystal Structure Of Bacteriorhodopsin Mutant P50a/t46a" 100.00 249 98.55 100.00 7.83e-37 PDB 3VHZ "Crystal Structure Of The Trans Isomer Of The L93a Mutant Of Bacteriorhodopsin" 100.00 262 98.55 100.00 9.47e-37 PDB 3VI0 "Crystal Structure Of The O Intermediate Of The L93a Mutant Of Bacteriorhodopsin" 100.00 262 98.55 100.00 9.47e-37 PDB 4HWL "Crystal Structure Analysis Of The Bacteriorhodopsin In Facial Amphiphile-7 Dmpc Bicelle" 100.00 262 98.55 100.00 1.18e-36 PDB 4HYX "Crystal Structure Analysis Of The Bacteriorhodopsin In Facial Amphiphile-4 Dmpc Bicelle" 100.00 262 98.55 100.00 1.18e-36 PDB 4MD1 "Orange Species Of Bacteriorhodopsin From Halobacterium Salinarum" 100.00 248 98.55 100.00 9.58e-37 PDB 4MD2 "Ground State Of Bacteriorhodopsin From Halobacterium Salinarum" 100.00 248 98.55 100.00 9.58e-37 PDB 4X31 "Room Temperature Structure Of Bacteriorhodopsin From Lipidic Cubic Phase Obtained With Serial Millisecond Crystallography Using" 100.00 229 98.55 100.00 7.72e-37 PDB 4X32 "Bacteriorhodopsin Ground State Structure Collected In Cryo Conditions From Crystals Obtained In Lcp With Peg As A Precipitant" 100.00 228 98.55 100.00 7.78e-37 PDB 4XXJ "Crystal Structure Of Escherichia Coli-expressed Halobacterium Salinarum Bacteriorhodopsin In The Trimeric Form" 100.00 269 97.10 98.55 9.99e-36 PDB 5A44 "Structure Of Bacteriorhodopsin Obtained From 20um Crystals By Multi Crystal Data Collection" 100.00 248 98.55 100.00 9.58e-37 PDB 5A45 "Structure Of Bacteriorhodopsin Obtained From 5um Crystals By Multi Crystal Data Collection" 100.00 248 98.55 100.00 9.58e-37 EMBL CAA23744 "unnamed protein product [Halobacterium salinarum]" 100.00 262 98.55 100.00 1.18e-36 EMBL CAA49762 "bacterioopsin [synthetic construct]" 100.00 259 98.55 100.00 1.77e-36 EMBL CAA49774 "bacterio-opsin [Halobacterium sp. GRB]" 100.00 262 98.55 100.00 1.18e-36 EMBL CAP14056 "bacteriorhodopsin [Halobacterium salinarum R1]" 100.00 262 98.55 100.00 1.18e-36 GB AAA72184 "bacteriorhodopsin [synthetic construct]" 100.00 249 98.55 100.00 9.39e-37 GB AAA72504 "bacteriorhodopsin [Halobacterium salinarum]" 100.00 262 98.55 100.00 1.18e-36 GB AAA72603 "bacteriorhodopsin [synthetic construct]" 100.00 249 98.55 100.00 9.39e-37 GB AAG19772 "bacteriorhodopsin [Halobacterium sp. NRC-1]" 100.00 262 98.55 100.00 1.18e-36 GB AER29833 "ChR2-EYFP-betabR [synthetic construct]" 100.00 906 98.55 100.00 1.55e-34 PRF 0501217A bacteriorhodopsin 100.00 247 97.10 98.55 3.96e-36 PRF 0712242A "bacteriorhodopsin precursor" 100.00 262 97.10 98.55 2.49e-35 REF WP_049892510 "rhodopsin [Halobacterium salinarum]" 100.00 230 98.55 100.00 4.39e-37 SP P02945 "RecName: Full=Bacteriorhodopsin; Short=BR; AltName: Full=Bacterioopsin; Short=BO; Flags: Precursor" 100.00 262 98.55 100.00 1.18e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Fraction $bacteriorhodopsin . 2242 Bacteria . Halobacterium halobium R1M1 'purple membrane' 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 $bacteriorhodopsin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength . _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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 TMS H . . ppm 0 . . . . . 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name bacteriorhodopsin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 6 ALA H H 7.82 . 1 2 . 6 ALA HA H 4.05 . 1 3 . 6 ALA HB H 1.15 . 1 4 . 7 SER H H 7.28 . 1 5 . 7 SER HA H 3.94 . 1 6 . 8 THR H H 7.79 . 1 7 . 8 THR HA H 3.57 . 1 8 . 8 THR HB H 4.02 . 1 9 . 8 THR HG2 H .96 . 1 10 . 9 PHE H H 7.88 . 1 11 . 9 PHE HA H 3.9 . 1 12 . 9 PHE HB2 H 2.94 . 1 13 . 9 PHE HB3 H 2.94 . 1 14 . 10 LYS H H 7.79 . 1 15 . 10 LYS HA H 3.56 . 1 16 . 10 LYS HB2 H 1.45 . 2 17 . 10 LYS HB3 H 1.74 . 2 18 . 11 VAL H H 7.73 . 1 19 . 11 VAL HA H 3.37 . 1 20 . 11 VAL HB H 1.97 . 1 21 . 11 VAL HG1 H .72 . 2 22 . 11 VAL HG2 H .86 . 2 23 . 12 LEU H H 7.88 . 1 24 . 12 LEU HA H 3.7 . 1 25 . 12 LEU HB2 H 1.29 . 2 26 . 12 LEU HB3 H 1.53 . 2 27 . 12 LEU HG H .85 . 1 28 . 12 LEU HD1 H .6 . 2 29 . 12 LEU HD2 H .71 . 2 30 . 13 ARG H H 8.38 . 1 31 . 13 ARG HA H 3.57 . 1 32 . 13 ARG HB2 H 1.51 . 2 33 . 13 ARG HB3 H 1.73 . 2 34 . 13 ARG HG2 H 1.22 . 1 35 . 13 ARG HG3 H 1.22 . 1 36 . 13 ARG HD2 H 2.73 . 2 37 . 13 ARG HD3 H 2.9 . 2 38 . 14 ASN H H 8.06 . 1 39 . 14 ASN HA H 4.07 . 1 40 . 14 ASN HB2 H 2.86 . 2 41 . 14 ASN HB3 H 2.46 . 2 42 . 14 ASN HD21 H 6.45 . 2 43 . 14 ASN HD22 H 7.14 . 2 44 . 15 VAL H H 8.46 . 1 45 . 15 VAL HA H 3.31 . 1 46 . 15 VAL HB H 1.92 . 1 47 . 15 VAL HG1 H .71 . 2 48 . 15 VAL HG2 H .85 . 2 49 . 16 THR H H 7.61 . 1 50 . 16 THR HA H 3.49 . 1 51 . 16 THR HB H 4.04 . 1 52 . 16 THR HG1 H 4.83 . 1 53 . 16 THR HG2 H .73 . 1 54 . 17 VAL H H 7.72 . 1 55 . 17 VAL HA H 3.41 . 1 56 . 17 VAL HB H 2.02 . 1 57 . 17 VAL HG1 H .75 . 2 58 . 17 VAL HG2 H .84 . 2 59 . 18 VAL H H 7.73 . 1 60 . 18 VAL HA H 3.39 . 1 61 . 18 VAL HB H 2.02 . 1 62 . 18 VAL HG1 H .72 . 2 63 . 18 VAL HG2 H .86 . 2 64 . 19 LEU H H 2.15 . 1 65 . 19 LEU HA H 3.81 . 1 66 . 19 LEU HB2 H 1.62 . 2 67 . 19 LEU HB3 H 1.7 . 2 68 . 19 LEU HG H .86 . 1 69 . 19 LEU HD1 H .62 . 2 70 . 19 LEU HD2 H .72 . 2 71 . 20 TRP H H 8.32 . 1 72 . 20 TRP HA H 4.18 . 1 73 . 20 TRP HB2 H 3.1 . 2 74 . 20 TRP HB3 H 3.16 . 2 75 . 20 TRP HD1 H 6.95 . 1 76 . 20 TRP HE1 H 9.68 . 1 77 . 20 TRP HE3 H 7.3 . 1 78 . 20 TRP HZ2 H 7.03 . 1 79 . 20 TRP HZ3 H 6.62 . 1 80 . 20 TRP HH2 H 6.77 . 1 81 . 21 SER H H 7.9 . 1 82 . 21 SER HA H 4 . 1 83 . 21 SER HB2 H 3.78 . 2 84 . 21 SER HB3 H 3.88 . 2 85 . 21 SER HG H 5.12 . 1 86 . 22 ALA H H 4.1 . 1 87 . 22 ALA HA H 1.24 . 1 88 . 23 TYR H H 7.65 . 1 89 . 23 TYR HA H 4.1 . 1 90 . 23 TYR HB2 H 2.79 . 2 91 . 23 TYR HB3 H 2.95 . 2 92 . 23 TYR HD1 H 6.4 . 1 93 . 23 TYR HD2 H 6.4 . 1 94 . 23 TYR HE1 H 6.75 . 1 95 . 23 TYR HE2 H 6.75 . 1 96 . 24 PRO HA H 3.84 . 1 97 . 24 PRO HB2 H 1.85 . 2 98 . 24 PRO HB3 H 2.06 . 2 99 . 24 PRO HG2 H 1.34 . 2 100 . 24 PRO HG3 H 1.59 . 2 101 . 24 PRO HD2 H 3.44 . 2 102 . 24 PRO HD3 H 3.51 . 2 103 . 25 VAL H H 6.94 . 1 104 . 25 VAL HA H 3.42 . 1 105 . 25 VAL HB H 2.01 . 1 106 . 25 VAL HG1 H .74 . 2 107 . 25 VAL HG2 H .83 . 2 108 . 26 VAL H H 7.5 . 1 109 . 26 VAL HA H 3.26 . 1 110 . 26 VAL HB H 1.86 . 1 111 . 26 VAL HG1 H .63 . 2 112 . 26 VAL HG2 H .74 . 2 113 . 27 TRP H H 7.84 . 1 114 . 27 TRP HA H 3.92 . 1 115 . 27 TRP HB2 H 2.79 . 2 116 . 27 TRP HB3 H 3 . 2 117 . 27 TRP HD1 H 6.73 . 1 118 . 27 TRP HE1 H 9.46 . 1 119 . 27 TRP HE3 H 7.23 . 1 120 . 27 TRP HZ2 H 7.07 . 1 121 . 27 TRP HZ3 H 6.74 . 1 122 . 27 TRP HH2 H 6.81 . 1 123 . 28 LEU H H 7.8 . 1 124 . 28 LEU HA H 3.69 . 1 125 . 28 LEU HB2 H 1.53 . 2 126 . 28 LEU HB3 H 1.64 . 2 127 . 28 LEU HD1 H .69 . 1 128 . 28 LEU HD2 H .69 . 1 129 . 29 ILE H H 8.01 . 1 130 . 29 ILE HA H 3.48 . 1 131 . 29 ILE HB H 1.64 . 1 132 . 29 ILE HG12 H .92 . 2 133 . 29 ILE HG13 H 1.52 . 2 134 . 29 ILE HG2 H .65 . 1 135 . 29 ILE HD1 H .57 . 1 136 . 30 GLY H H 8.35 . 1 137 . 30 GLY HA2 H 3.49 . 2 138 . 30 GLY HA3 H 3.57 . 2 139 . 31 SER H H 7.79 . 1 140 . 31 SER HA H 3.85 . 1 141 . 31 SER HB2 H 3.37 . 2 142 . 31 SER HB3 H 3.55 . 2 143 . 32 GLU H H 7.99 . 1 144 . 32 GLU HA H 3.92 . 1 145 . 32 GLU HB2 H 1.8 . 2 146 . 32 GLU HB3 H 1.9 . 2 147 . 33 GLY H H 8.03 . 1 148 . 33 GLY HA2 H 3.59 . 1 149 . 33 GLY HA3 H 3.59 . 1 150 . 34 ALA H H 7.67 . 1 151 . 34 ALA HA H 3.91 . 1 152 . 34 ALA HB H 1.22 . 1 153 . 35 GLY H H 7.73 . 1 154 . 35 GLY HA2 H 3.58 . 1 155 . 35 GLY HA3 H 3.58 . 1 156 . 36 ILE H H 7.44 . 1 157 . 36 ILE HA H 3.82 . 1 158 . 36 ILE HB H 1.7 . 1 159 . 36 ILE HG12 H 1.03 . 2 160 . 36 ILE HG13 H 1.32 . 2 161 . 36 ILE HG2 H .7 . 1 162 . 36 ILE HD1 H .64 . 1 163 . 37 VAL H H 7.43 . 1 164 . 37 VAL HA H 3.83 . 1 165 . 37 VAL HB H 2.02 . 1 166 . 37 VAL HG1 H .71 . 2 167 . 37 VAL HG2 H .82 . 2 168 . 38 PRO HA H 4.04 . 1 169 . 38 PRO HB2 H 1.72 . 2 170 . 38 PRO HB3 H 2.01 . 2 171 . 39 LEU H H 7.28 . 1 172 . 39 LEU HA H 3.93 . 1 173 . 39 LEU HB2 H 1.44 . 1 174 . 39 LEU HB3 H 1.44 . 1 175 . 39 LEU HD1 H .66 . 2 176 . 39 LEU HD2 H .74 . 2 177 . 40 ASN H H 7.98 . 1 178 . 40 ASN HA H 4.28 . 1 179 . 40 ASN HB2 H 2.53 . 2 180 . 40 ASN HB3 H 2.81 . 2 181 . 40 ASN HD21 H 6.26 . 2 182 . 40 ASN HD22 H 7.22 . 2 183 . 41 ILE H H 7.94 . 1 184 . 41 ILE HA H 3.48 . 1 185 . 41 ILE HB H 1.69 . 1 186 . 41 ILE HG12 H 1.28 . 2 187 . 41 ILE HG13 H 1.44 . 2 188 . 41 ILE HG2 H .69 . 1 189 . 41 ILE HD1 H .6 . 1 190 . 42 GLU H H 8.44 . 1 191 . 42 GLU HA H 3.65 . 1 192 . 42 GLU HB2 H 1.84 . 2 193 . 42 GLU HB3 H 1.97 . 2 194 . 42 GLU HG2 H 2.09 . 2 195 . 42 GLU HG3 H 2.17 . 2 196 . 43 THR H H 7.69 . 1 197 . 43 THR HA H 3.67 . 1 198 . 43 THR HB H 4.06 . 1 199 . 43 THR HG1 H 4.68 . 1 200 . 43 THR HG2 H 1.05 . 1 201 . 44 LEU H H 7.62 . 1 202 . 44 LEU HA H 3.87 . 1 203 . 44 LEU HB2 H 1.49 . 2 204 . 44 LEU HB3 H 1.55 . 2 205 . 44 LEU HD1 H .61 . 2 206 . 44 LEU HD2 H .69 . 2 207 . 45 LEU H H 8.04 . 1 208 . 45 LEU HA H 3.74 . 1 209 . 45 LEU HB2 H 1.39 . 2 210 . 45 LEU HB3 H 1.54 . 2 211 . 45 LEU HD1 H .63 . 2 212 . 45 LEU HD2 H .68 . 2 213 . 46 PHE H H 8.03 . 1 214 . 46 PHE HA H 3.86 . 1 215 . 46 PHE HB2 H 2.95 . 2 216 . 46 PHE HB3 H 3.03 . 2 217 . 47 MET H H 8.05 . 1 218 . 47 MET HA H 3.76 . 1 219 . 47 MET HB2 H 2.16 . 2 220 . 47 MET HB3 H 1.93 . 2 221 . 47 MET HG2 H 2.68 . 2 222 . 47 MET HG3 H 3.32 . 2 223 . 48 VAL H H 8.08 . 1 224 . 48 VAL HA H 3.33 . 1 225 . 48 VAL HB H 2.02 . 1 226 . 48 VAL HG1 H .7 . 2 227 . 48 VAL HG2 H .86 . 2 228 . 49 LEU H H 8.09 . 1 229 . 49 LEU HA H 3.7 . 1 230 . 49 LEU HB2 H 1.54 . 2 231 . 49 LEU HB3 H 1.59 . 2 232 . 49 LEU HD1 H .53 . 2 233 . 49 LEU HD2 H .62 . 2 234 . 50 ASP H H 8.23 . 1 235 . 50 ASP HA H 4.03 . 1 236 . 50 ASP HB2 H 2.12 . 2 237 . 50 ASP HB3 H 2.41 . 2 238 . 51 VAL H H 8.27 . 1 239 . 51 VAL HA H 3.31 . 1 240 . 51 VAL HB H 1.9 . 1 241 . 51 VAL HG1 H .72 . 2 242 . 51 VAL HG2 H .89 . 2 243 . 52 SER H H 7.83 . 1 244 . 52 SER HA H 3.84 . 1 245 . 52 SER HB2 H 3.63 . 2 246 . 52 SER HB3 H 3.7 . 2 247 . 52 SER HG H 4.28 . 1 248 . 53 ALA H H 8.19 . 1 249 . 53 ALA HA H 3.85 . 1 250 . 53 ALA HB H 1.28 . 1 251 . 54 LYS H H 7.88 . 1 252 . 54 LYS HA H 3.74 . 1 253 . 54 LYS HB2 H 1.63 . 2 254 . 54 LYS HB3 H 1.81 . 2 255 . 54 LYS HG2 H 1.1 . 2 256 . 54 LYS HG3 H 1.55 . 2 257 . 54 LYS HD2 H 1.32 . 1 258 . 54 LYS HD3 H 1.32 . 1 259 . 54 LYS HE2 H 2.63 . 1 260 . 54 LYS HE3 H 2.63 . 1 261 . 55 VAL H H 8.53 . 1 262 . 55 VAL HA H 3.46 . 1 263 . 55 VAL HB H 1.93 . 1 264 . 55 VAL HG1 H .69 . 2 265 . 55 VAL HG2 H .84 . 2 266 . 56 GLY H H 8.2 . 1 267 . 56 GLY HA2 H 3.48 . 2 268 . 56 GLY HA3 H 3.57 . 2 269 . 57 PHE H H 8.33 . 1 270 . 57 PHE HA H 4.08 . 1 271 . 57 PHE HB2 H 2.95 . 2 272 . 57 PHE HB3 H 3.04 . 2 273 . 58 GLY H H 8.09 . 1 274 . 58 GLY HA2 H 3.45 . 2 275 . 58 GLY HA3 H 3.64 . 2 276 . 59 LEU H H 8.1 . 1 277 . 59 LEU HA H 3.7 . 1 278 . 59 LEU HB2 H 1.56 . 1 279 . 59 LEU HB3 H 1.56 . 1 280 . 59 LEU HD1 H .64 . 1 281 . 59 LEU HD2 H .64 . 1 282 . 60 ILE H H 7.68 . 1 283 . 60 ILE HA H 3.35 . 1 284 . 60 ILE HB H 1.78 . 1 285 . 60 ILE HG12 H .8 . 2 286 . 60 ILE HG13 H 1.52 . 2 287 . 60 ILE HG2 H .63 . 1 288 . 61 LEU H H 8.01 . 1 289 . 61 LEU HA H 3.65 . 1 290 . 61 LEU HB2 H 1.28 . 2 291 . 61 LEU HB3 H 1.52 . 2 292 . 61 LEU HD1 H .54 . 2 293 . 61 LEU HD2 H .64 . 2 294 . 63 ARG H H 8.17 . 1 295 . 63 ARG HA H 3.71 . 1 296 . 63 ARG HB2 H 1.58 . 2 297 . 63 ARG HB3 H 1.69 . 2 298 . 63 ARG HG2 H 1.41 . 2 299 . 63 ARG HG3 H 1.53 . 2 300 . 63 ARG HD2 H 2.88 . 2 301 . 63 ARG HD3 H 2.92 . 2 302 . 63 ARG HE H 6.67 . 1 303 . 64 SER H H 7.84 . 1 304 . 64 SER HA H 3.89 . 1 305 . 64 SER HB2 H 3.63 . 1 306 . 64 SER HB3 H 3.63 . 1 307 . 65 ARG H H 8.09 . 1 308 . 65 ARG HA H 3.83 . 1 309 . 65 ARG HB2 H 1.52 . 2 310 . 65 ARG HB3 H 1.79 . 2 311 . 65 ARG HG2 H 1.27 . 2 312 . 65 ARG HG3 H 1.42 . 2 313 . 65 ARG HD2 H 2.86 . 2 314 . 65 ARG HD3 H 2.95 . 2 315 . 65 ARG HE H 7.04 . 1 316 . 66 ALA H H 7.69 . 1 317 . 66 ALA HA H 3.88 . 1 318 . 66 ALA HB H 1.25 . 1 319 . 67 ILE H H 7.53 . 1 320 . 67 ILE HA H 3.55 . 1 321 . 67 ILE HB H 1.44 . 1 322 . 67 ILE HG12 H 1.26 . 1 323 . 67 ILE HG13 H 1.26 . 1 324 . 67 ILE HG2 H .24 . 1 325 . 67 ILE HD1 H .48 . 1 326 . 68 PHE H H 7.68 . 1 327 . 68 PHE HA H 4.28 . 1 328 . 68 PHE HB2 H 2.72 . 2 329 . 68 PHE HB3 H 3.03 . 2 330 . 69 GLY H H 7.74 . 1 331 . 69 GLY HA2 H 3.54 . 2 332 . 69 GLY HA3 H 3.69 . 2 stop_ save_