data_1404
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
A systematic approach towards the complete assignment of 13C resonances for horse ferrocytochrome c
;
_BMRB_accession_number 1404
_BMRB_flat_file_name bmr1404.str
_Entry_type update
_Submission_date 1995-07-31
_Accession_date 1996-04-12
_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 Gao Yuan . .
2 Boyd Jonathan . .
3 Williams Robert J.P. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"13C chemical shifts" 201
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-06-14 revision BMRB 'Complete natural source information'
2008-07-10 revision BMRB 'Updating non-standard residue'
1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'
1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers'
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
;
Gao, Yuan, Boyd, Jonathan, Williams, Robert J. P.,
"A systematic approach towards the complete assignment of 13C resonances
for horse ferrocytochrome c,"
Eur. J. Biochem. 194, 355-365 (1990).
;
_Citation_title
;
A systematic approach towards the complete assignment of 13C resonances for
horse ferrocytochrome c
;
_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 Gao Yuan . .
2 Boyd Jonathan . .
3 Williams Robert J.P. .
stop_
_Journal_abbreviation 'Eur. J. Biochem.'
_Journal_volume 194
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 355
_Page_last 365
_Year 1990
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_cytochrome_c
_Saveframe_category molecular_system
_Mol_system_name 'cytochrome c'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'cytochrome c' $cytochrome_c
'heme c' $HEC
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details 'The heme c is bound to CYS residues 14 and 17.'
save_
########################
# Monomeric polymers #
########################
save_cytochrome_c
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'cytochrome c'
_Name_variant 1Ac_G-104
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 104
_Mol_residue_sequence
;
XDVEKGKKIFVQKCAQCHTV
EKGGKHKTGPNLHGLFGRKT
GQAPGFTYTDANKNKGITWK
EETLMEYLENPKKYIPGTKM
IFAGIKKKTEREDLIAYLKK
ATNE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 AAC 2 2 ASP 3 3 VAL 4 4 GLU 5 5 LYS
6 6 GLY 7 7 LYS 8 8 LYS 9 9 ILE 10 10 PHE
11 11 VAL 12 12 GLN 13 13 LYS 14 14 CYS 15 15 ALA
16 16 GLN 17 17 CYS 18 18 HIS 19 19 THR 20 20 VAL
21 21 GLU 22 22 LYS 23 23 GLY 24 24 GLY 25 25 LYS
26 26 HIS 27 27 LYS 28 28 THR 29 29 GLY 30 30 PRO
31 31 ASN 32 32 LEU 33 33 HIS 34 34 GLY 35 35 LEU
36 36 PHE 37 37 GLY 38 38 ARG 39 39 LYS 40 40 THR
41 41 GLY 42 42 GLN 43 43 ALA 44 44 PRO 45 45 GLY
46 46 PHE 47 47 THR 48 48 TYR 49 49 THR 50 50 ASP
51 51 ALA 52 52 ASN 53 53 LYS 54 54 ASN 55 55 LYS
56 56 GLY 57 57 ILE 58 58 THR 59 59 TRP 60 60 LYS
61 61 GLU 62 62 GLU 63 63 THR 64 64 LEU 65 65 MET
66 66 GLU 67 67 TYR 68 68 LEU 69 69 GLU 70 70 ASN
71 71 PRO 72 72 LYS 73 73 LYS 74 74 TYR 75 75 ILE
76 76 PRO 77 77 GLY 78 78 THR 79 79 LYS 80 80 MET
81 81 ILE 82 82 PHE 83 83 ALA 84 84 GLY 85 85 ILE
86 86 LYS 87 87 LYS 88 88 LYS 89 89 THR 90 90 GLU
91 91 ARG 92 92 GLU 93 93 ASP 94 94 LEU 95 95 ILE
96 96 ALA 97 97 TYR 98 98 LEU 99 99 LYS 100 100 LYS
101 101 ALA 102 102 THR 103 103 ASN 104 104 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-05
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 1058 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1107 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1108 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1109 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1110 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1111 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1112 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1113 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1114 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1116 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1170 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 1171 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 16759 cytochrome_c 99.04 104 100.00 100.00 2.13e-67
BMRB 17120 cytc 99.04 105 99.03 100.00 3.29e-67
BMRB 17340 cytc 99.04 104 100.00 100.00 2.13e-67
BMRB 1736 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1783 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 17847 hCc 99.04 104 100.00 100.00 2.13e-67
BMRB 17848 hCc 99.04 104 100.00 100.00 2.13e-67
BMRB 1785 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1787 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 1789 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 216 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 220 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 224 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 2366 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 2367 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 2368 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 243 "cytochrome c" 99.04 104 100.00 100.00 2.13e-67
BMRB 244 "cytochrome c" 99.04 104 100.00 100.00 2.13e-67
BMRB 25640 entity_1 99.04 105 99.03 99.03 3.70e-66
BMRB 274 "cytochrome c" 99.04 104 100.00 100.00 2.13e-67
BMRB 285 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 286 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 316 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 317 "cytochrome c" 99.04 104 100.00 100.00 1.73e-67
BMRB 336 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 4189 "cytochrome c" 99.04 104 100.00 100.00 2.13e-67
BMRB 436 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 437 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 438 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
BMRB 439 "cytochrome c" 99.04 104 98.06 98.06 8.49e-65
PDB 1AKK "Solution Structure Of Oxidized Horse Heart Cytochrome C, Nmr, Minimized Average Structure" 99.04 104 100.00 100.00 2.13e-67
PDB 1CRC "Cytochrome C At Low Ionic Strength" 99.04 105 100.00 100.00 2.20e-67
PDB 1FI7 "Solution Structure Of The Imidazole Complex Of Cytochrome C" 99.04 104 100.00 100.00 2.13e-67
PDB 1FI9 "Solution Structure Of The Imidazole Complex Of Cytochrome C" 99.04 104 100.00 100.00 2.13e-67
PDB 1GIW "Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, Minimized Average Structure" 99.04 104 100.00 100.00 1.73e-67
PDB 1HRC "High-Resolution Three-Dimensional Structure Of Horse Heart Cytochrome C" 99.04 105 100.00 100.00 2.20e-67
PDB 1I5T "Solution Structure Of Cyanoferricytochrome C" 99.04 104 100.00 100.00 2.13e-67
PDB 1LC1 "Solution Structure Of Reduced Horse Heart Cytochrome C In 30% Acetonitrile Solution, Nmr Minimized Average Structure" 99.04 104 100.00 100.00 2.13e-67
PDB 1LC2 "Solution Structure Of Reduced Horse Heart Cytochrome C In 30% Acetonitrile Solution, Nmr 30 Structures" 99.04 104 100.00 100.00 2.13e-67
PDB 1M60 "Solution Structure Of Zinc-Substituted Cytochrome C" 99.04 104 100.00 100.00 2.13e-67
PDB 1OCD "Cytochrome C (Oxidized) From Equus Caballus, Nmr, Minimized Average Structure" 99.04 104 100.00 100.00 2.13e-67
PDB 1U75 "Electron Transfer Complex Between Horse Heart Cytochrome C And Zinc- Porphyrin Substituted Cytochrome C Peroxidase" 99.04 104 100.00 100.00 2.13e-67
PDB 1WEJ "Igg1 Fab Fragment (Of E8 Antibody) Complexed With Horse Cytochrome C At 1.8 A Resolution" 99.04 105 100.00 100.00 2.20e-67
PDB 2B4Z "Crystal Structure Of Cytochrome C From Bovine Heart At 1.5 A Resolution." 99.04 104 97.09 98.06 3.29e-65
PDB 2FRC "Cytochrome C (Reduced) From Equus Caballus, Nmr, Minimized Average Structure" 99.04 104 100.00 100.00 2.13e-67
PDB 2GIW "Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, 40 Structures" 99.04 104 100.00 100.00 2.13e-67
PDB 2PCB "Crystal Structure Of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase And Cytochrome C" 99.04 104 100.00 100.00 2.13e-67
PDB 2YBB "Fitted Model For Bovine Mitochondrial Supercomplex I1iii2iv1 By Single Particle Cryo-Em (Emd-1876)" 99.04 104 97.09 98.06 3.29e-65
PDB 3J2T "An Improved Model Of The Human Apoptosome" 99.04 104 97.09 98.06 3.29e-65
PDB 3NBS "Crystal Structure Of Dimeric Cytochrome C From Horse Heart" 99.04 104 100.00 100.00 2.13e-67
PDB 3NBT "Crystal Structure Of Trimeric Cytochrome C From Horse Heart" 99.04 104 100.00 100.00 2.13e-67
PDB 3O1Y "Electron Transfer Complexes: Experimental Mapping Of The Redox- Dependent Cytochrome C Electrostatic Surface" 99.04 105 100.00 100.00 2.20e-67
PDB 3O20 "Electron Transfer Complexes:experimental Mapping Of The Redox- Dependent Cytochrome C Electrostatic Surface" 99.04 105 100.00 100.00 2.20e-67
PDB 3WC8 "Dimeric Horse Cytochrome C Obtained By Refolding With Desalting Method" 99.04 104 100.00 100.00 2.13e-67
PDB 3WUI "Dimeric Horse Cytochrome C Formed By Refolding From Molten Globule State" 99.04 104 100.00 100.00 2.13e-67
PDB 4NFG "K13r Mutant Of Horse Cytochrome C And Yeast Cytochrome C Peroxidase Complex" 99.04 104 97.09 100.00 2.61e-65
PDB 4RSZ "The X-ray Structure Of The Primary Adduct Formed In The Reaction Between Cisplatin And Cytochrome C" 99.04 104 100.00 100.00 2.13e-67
GB AAB33495 "apocytochrome c [horses, heart, Peptide, 104 aa]" 99.04 104 98.06 98.06 1.75e-65
GB AAI05398 "Cytochrome c, somatic [Bos taurus]" 99.04 105 97.09 98.06 2.61e-65
GB AAX77008 "cytochrome c-like protein [Sus scrofa]" 99.04 105 97.09 98.06 2.61e-65
GB ABA06541 "mitochondrial cytochrome c [Bubalus bubalis]" 99.04 104 97.09 98.06 3.29e-65
GB AEB61027 "cytochrome c-like protein, partial [Equus caballus]" 99.04 127 100.00 100.00 8.61e-68
PRF 610169A "cytochrome c" 99.04 104 100.00 100.00 2.13e-67
PRF 711086A "cytochrome c" 99.04 104 97.09 100.00 1.30e-66
REF NP_001039526 "cytochrome c [Bos taurus]" 99.04 105 97.09 98.06 2.61e-65
REF NP_001123442 "cytochrome c [Sus scrofa]" 99.04 105 97.09 98.06 2.61e-65
REF NP_001157486 "cytochrome c [Equus caballus]" 99.04 105 99.03 100.00 3.29e-67
REF XP_004007999 "PREDICTED: cytochrome c [Ovis aries]" 99.04 105 97.09 98.06 2.61e-65
REF XP_004418964 "PREDICTED: cytochrome c-like [Ceratotherium simum simum]" 99.04 105 98.06 99.03 1.24e-66
SP P00004 "RecName: Full=Cytochrome c" 99.04 105 100.00 100.00 1.77e-67
SP P62894 "RecName: Full=Cytochrome c" 99.04 105 97.09 98.06 2.61e-65
SP P62895 "RecName: Full=Cytochrome c" 99.04 105 97.09 98.06 2.61e-65
SP P62896 "RecName: Full=Cytochrome c" 99.04 105 97.09 98.06 2.61e-65
SP P68096 "RecName: Full=Cytochrome c" 99.04 105 99.03 100.00 3.29e-67
TPG DAA30512 "TPA: cytochrome c [Bos taurus]" 99.04 105 97.09 98.06 2.61e-65
stop_
save_
######################
# Polymer residues #
######################
save_chem_comp_AAC
_Saveframe_category polymer_residue
_Mol_type NON-POLYMER
_Name_common 'ACETYLAMINO-ACETIC ACID'
_BMRB_code AAC
_PDB_code AAC
_Standard_residue_derivative .
_Molecular_mass 117.103
_Mol_paramagnetic .
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
C1 C1 C . 0 . ?
C2 C2 C . 0 . ?
C3 C3 C . 0 . ?
C4 C4 C . 0 . ?
HC21 HC21 H . 0 . ?
HC22 HC22 H . 0 . ?
HC41 HC41 H . 0 . ?
HC42 HC42 H . 0 . ?
HC43 HC43 H . 0 . ?
HN1 HN1 H . 0 . ?
HO1 HO1 H . 0 . ?
N1 N1 N . 0 . ?
O1 O1 O . 0 . ?
O2 O2 O . 0 . ?
O3 O3 O . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING C1 C2 ? ?
SING C1 O1 ? ?
DOUB C1 O2 ? ?
SING C2 N1 ? ?
SING C2 HC21 ? ?
SING C2 HC22 ? ?
SING C3 C4 ? ?
SING C3 N1 ? ?
DOUB C3 O3 ? ?
SING C4 HC41 ? ?
SING C4 HC42 ? ?
SING C4 HC43 ? ?
SING N1 HN1 ? ?
SING O1 HO1 ? ?
stop_
save_
#############
# Ligands #
#############
save_HEC
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common 'HEME C'
_BMRB_code HEC
_PDB_code HEC
_Molecular_mass 618.503
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic yes
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
C1A C1A C . 0 . ?
C1B C1B C . 0 . ?
C1C C1C C . 0 . ?
C1D C1D C . 0 . ?
C2A C2A C . 0 . ?
C2B C2B C . 0 . ?
C2C C2C C . 0 . ?
C2D C2D C . 0 . ?
C3A C3A C . 0 . ?
C3B C3B C . 0 . ?
C3C C3C C . 0 . ?
C3D C3D C . 0 . ?
C4A C4A C . 0 . ?
C4B C4B C . 0 . ?
C4C C4C C . 0 . ?
C4D C4D C . 0 . ?
CAA CAA C . 0 . ?
CAB CAB C . 0 . ?
CAC CAC C . 0 . ?
CAD CAD C . 0 . ?
CBA CBA C . 0 . ?
CBB CBB C . 0 . ?
CBC CBC C . 0 . ?
CBD CBD C . 0 . ?
CGA CGA C . 0 . ?
CGD CGD C . 0 . ?
CHA CHA C . 0 . ?
CHB CHB C . 0 . ?
CHC CHC C . 0 . ?
CHD CHD C . 0 . ?
CMA CMA C . 0 . ?
CMB CMB C . 0 . ?
CMC CMC C . 0 . ?
CMD CMD C . 0 . ?
FE FE FE . 0 . ?
H2A H2A H . 0 . ?
H2D H2D H . 0 . ?
HAA1 HAA1 H . 0 . ?
HAA2 HAA2 H . 0 . ?
HAB HAB H . 0 . ?
HAC HAC H . 0 . ?
HAD1 HAD1 H . 0 . ?
HAD2 HAD2 H . 0 . ?
HBA1 HBA1 H . 0 . ?
HBA2 HBA2 H . 0 . ?
HBB1 HBB1 H . 0 . ?
HBB2 HBB2 H . 0 . ?
HBB3 HBB3 H . 0 . ?
HBC1 HBC1 H . 0 . ?
HBC2 HBC2 H . 0 . ?
HBC3 HBC3 H . 0 . ?
HBD1 HBD1 H . 0 . ?
HBD2 HBD2 H . 0 . ?
HHA HHA H . 0 . ?
HHB HHB H . 0 . ?
HHC HHC H . 0 . ?
HHD HHD H . 0 . ?
HMA1 HMA1 H . 0 . ?
HMA2 HMA2 H . 0 . ?
HMA3 HMA3 H . 0 . ?
HMB1 HMB1 H . 0 . ?
HMB2 HMB2 H . 0 . ?
HMB3 HMB3 H . 0 . ?
HMC1 HMC1 H . 0 . ?
HMC2 HMC2 H . 0 . ?
HMC3 HMC3 H . 0 . ?
HMD1 HMD1 H . 0 . ?
HMD2 HMD2 H . 0 . ?
HMD3 HMD3 H . 0 . ?
NA NA N . 0 . ?
NB NB N . 0 . ?
NC NC N . 0 . ?
ND ND N . 0 . ?
O1A O1A O . 0 . ?
O1D O1D O . 0 . ?
O2A O2A O . 0 . ?
O2D O2D O . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING FE NA ? ?
SING FE NB ? ?
SING FE NC ? ?
SING FE ND ? ?
DOUB CHA C1A ? ?
SING CHA C4D ? ?
SING CHA HHA ? ?
DOUB CHB C4A ? ?
SING CHB C1B ? ?
SING CHB HHB ? ?
DOUB CHC C4B ? ?
SING CHC C1C ? ?
SING CHC HHC ? ?
DOUB CHD C4C ? ?
SING CHD C1D ? ?
SING CHD HHD ? ?
SING NA C1A ? ?
SING NA C4A ? ?
SING C1A C2A ? ?
DOUB C2A C3A ? ?
SING C2A CAA ? ?
SING C3A C4A ? ?
SING C3A CMA ? ?
SING CMA HMA1 ? ?
SING CMA HMA2 ? ?
SING CMA HMA3 ? ?
SING CAA CBA ? ?
SING CAA HAA1 ? ?
SING CAA HAA2 ? ?
SING CBA CGA ? ?
SING CBA HBA1 ? ?
SING CBA HBA2 ? ?
DOUB CGA O1A ? ?
SING CGA O2A ? ?
SING O2A H2A ? ?
SING NB C1B ? ?
SING NB C4B ? ?
DOUB C1B C2B ? ?
SING C2B C3B ? ?
SING C2B CMB ? ?
SING C3B C4B ? ?
DOUB C3B CAB ? ?
SING CMB HMB1 ? ?
SING CMB HMB2 ? ?
SING CMB HMB3 ? ?
SING CAB CBB ? ?
SING CAB HAB ? ?
SING CBB HBB1 ? ?
SING CBB HBB2 ? ?
SING CBB HBB3 ? ?
SING NC C1C ? ?
SING NC C4C ? ?
DOUB C1C C2C ? ?
SING C2C C3C ? ?
SING C2C CMC ? ?
SING C3C C4C ? ?
DOUB C3C CAC ? ?
SING CMC HMC1 ? ?
SING CMC HMC2 ? ?
SING CMC HMC3 ? ?
SING CAC CBC ? ?
SING CAC HAC ? ?
SING CBC HBC1 ? ?
SING CBC HBC2 ? ?
SING CBC HBC3 ? ?
SING ND C1D ? ?
SING ND C4D ? ?
DOUB C1D C2D ? ?
SING C2D C3D ? ?
SING C2D CMD ? ?
DOUB C3D C4D ? ?
SING C3D CAD ? ?
SING CMD HMD1 ? ?
SING CMD HMD2 ? ?
SING CMD HMD3 ? ?
SING CAD CBD ? ?
SING CAD HAD1 ? ?
SING CAD HAD2 ? ?
SING CBD CGD ? ?
SING CBD HBD1 ? ?
SING CBD HBD2 ? ?
DOUB CGD O1D ? ?
SING CGD O2D ? ?
SING O2D H2D ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Tissue
$cytochrome_c horse 9796 Eukaryota Metazoa Equus caballus heart
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
$cytochrome_c '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 5.5 . na
temperature 300 . 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
dioxane C . . . 67.8 . . . . .
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 'cytochrome c'
_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 . 1 AAC C4 C 23.1 . 1
2 . 1 AAC C2 C 43.2 . 1
3 . 3 VAL CA C 64.7 . 1
4 . 3 VAL CB C 30.8 . 1
5 . 3 VAL CG1 C 20.6 . 2
6 . 3 VAL CG2 C 20.5 . 2
7 . 4 GLU CB C 27.3 . 1
8 . 4 GLU CG C 35.1 . 1
9 . 5 LYS CB C 31.1 . 1
10 . 6 GLY CA C 45.4 . 1
11 . 7 LYS CA C 57.8 . 1
12 . 8 LYS CA C 58.1 . 1
13 . 8 LYS CB C 23.9 . 1
14 . 9 ILE CA C 63.4 . 1
15 . 9 ILE CB C 36.4 . 1
16 . 9 ILE CG2 C 17.4 . 1
17 . 9 ILE CD1 C 13.1 . 1
18 . 10 PHE CB C 38.3 . 1
19 . 11 VAL CA C 65 . 1
20 . 11 VAL CB C 30.3 . 1
21 . 11 VAL CG1 C 21.3 . 2
22 . 11 VAL CG2 C 19.7 . 2
23 . 12 GLN CB C 28.4 . 1
24 . 12 GLN CG C 32.7 . 1
25 . 13 LYS CA C 56.2 . 1
26 . 14 CYS CA C 53 . 1
27 . 15 ALA CA C 52.2 . 1
28 . 15 ALA CB C 17.7 . 1
29 . 16 GLN CB C 26.7 . 1
30 . 16 GLN CG C 31.9 . 1
31 . 17 CYS CA C 56.5 . 1
32 . 17 CYS CB C 37 . 1
33 . 18 HIS CA C 58.6 . 1
34 . 18 HIS CB C 30.6 . 1
35 . 19 THR CA C 61.9 . 1
36 . 19 THR CB C 69.8 . 1
37 . 19 THR CG2 C 19.9 . 1
38 . 20 VAL CA C 62.3 . 1
39 . 20 VAL CB C 32.2 . 1
40 . 20 VAL CG1 C 20.8 . 2
41 . 20 VAL CG2 C 16.7 . 2
42 . 22 LYS CA C 56.2 . 1
43 . 22 LYS CB C 29.9 . 1
44 . 23 GLY CA C 43.7 . 1
45 . 24 GLY CA C 42.8 . 1
46 . 25 LYS CB C 31.6 . 1
47 . 26 HIS CD2 C 116.9 . 1
48 . 26 HIS CE1 C 136.4 . 1
49 . 27 LYS CB C 27.9 . 1
50 . 28 THR CA C 65.9 . 1
51 . 28 THR CB C 68.2 . 1
52 . 28 THR CG2 C 21.3 . 1
53 . 29 GLY CA C 39.7 . 1
54 . 31 ASN CB C 38.8 . 1
55 . 32 LEU CB C 50.9 . 1
56 . 32 LEU CG C 23.8 . 1
57 . 32 LEU CD1 C 22.3 . 2
58 . 32 LEU CD2 C 19.3 . 2
59 . 34 GLY CA C 44.5 . 1
60 . 35 LEU CA C 56.3 . 1
61 . 35 LEU CD1 C 23.3 . 2
62 . 35 LEU CD2 C 23.2 . 2
63 . 36 PHE CB C 35.6 . 1
64 . 36 PHE CD1 C 130.2 . 1
65 . 36 PHE CD2 C 130.2 . 1
66 . 36 PHE CE1 C 128.3 . 1
67 . 36 PHE CE2 C 128.3 . 1
68 . 36 PHE CZ C 127.4 . 1
69 . 37 GLY CA C 43.3 . 1
70 . 38 ARG CA C 53.6 . 1
71 . 38 ARG CB C 31.9 . 1
72 . 39 LYS CA C 54 . 1
73 . 39 LYS CB C 32.2 . 1
74 . 40 THR CA C 60.7 . 1
75 . 40 THR CB C 65.8 . 1
76 . 40 THR CG2 C 22.1 . 1
77 . 41 GLY CA C 46.2 . 1
78 . 42 GLN CA C 57.2 . 1
79 . 42 GLN CB C 29.2 . 1
80 . 43 ALA CA C 50.3 . 1
81 . 43 ALA CB C 16.9 . 1
82 . 45 GLY CA C 44.3 . 1
83 . 46 PHE CZ C 128.1 . 1
84 . 47 THR CA C 59.9 . 1
85 . 47 THR CB C 66.2 . 1
86 . 47 THR CG2 C 20.2 . 1
87 . 48 TYR CA C 57.2 . 1
88 . 48 TYR CB C 40.7 . 1
89 . 49 THR CA C 61.1 . 1
90 . 49 THR CB C 69.7 . 1
91 . 49 THR CG2 C 21.2 . 1
92 . 50 ASP CA C 55.8 . 1
93 . 50 ASP CB C 38.1 . 1
94 . 51 ALA CA C 53.5 . 1
95 . 51 ALA CB C 16.7 . 1
96 . 53 LYS CA C 58.8 . 1
97 . 53 LYS CB C 30.8 . 1
98 . 54 ASN CA C 51.7 . 1
99 . 54 ASN CB C 36.7 . 1
100 . 56 GLY CA C 45.5 . 1
101 . 57 ILE CB C 39.7 . 1
102 . 57 ILE CG1 C 25.3 . 1
103 . 57 ILE CG2 C 20.4 . 1
104 . 57 ILE CD1 C 12.2 . 1
105 . 58 THR CA C 60.1 . 1
106 . 58 THR CB C 68.4 . 1
107 . 58 THR CG2 C 19.7 . 1
108 . 59 TRP CA C 55.7 . 1
109 . 59 TRP CB C 28.5 . 1
110 . 59 TRP CD1 C 126.2 . 1
111 . 59 TRP CE3 C 120 . 1
112 . 59 TRP CZ2 C 112.7 . 1
113 . 59 TRP CZ3 C 129.7 . 1
114 . 59 TRP CH2 C 122.2 . 1
115 . 62 GLU CB C 35.1 . 1
116 . 63 THR CA C 61.6 . 1
117 . 63 THR CB C 67.3 . 1
118 . 63 THR CG2 C 22.7 . 1
119 . 64 LEU CA C 55.7 . 1
120 . 64 LEU CD1 C 25.8 . 2
121 . 64 LEU CD2 C 25.3 . 2
122 . 65 MET CB C 30.1 . 1
123 . 65 MET CE C 15.3 . 1
124 . 68 LEU CA C 54.2 . 1
125 . 68 LEU CG C 30.5 . 1
126 . 68 LEU CD1 C 24.7 . 2
127 . 68 LEU CD2 C 20.6 . 2
128 . 69 GLU CA C 57.3 . 1
129 . 70 ASN CB C 35.8 . 1
130 . 72 LYS CA C 56.1 . 1
131 . 72 LYS CB C 30.1 . 1
132 . 74 TYR CD1 C 130.9 . 1
133 . 74 TYR CD2 C 130.9 . 1
134 . 74 TYR CE1 C 116.5 . 1
135 . 74 TYR CE2 C 116.5 . 1
136 . 75 ILE CG2 C 16.9 . 1
137 . 75 ILE CD1 C 11.2 . 1
138 . 77 GLY CA C 42.9 . 1
139 . 78 THR CA C 59.8 . 1
140 . 78 THR CB C 66.8 . 1
141 . 78 THR CG2 C 17.5 . 1
142 . 79 LYS CA C 54 . 1
143 . 80 MET CA C 54.3 . 1
144 . 80 MET CB C 25.5 . 1
145 . 80 MET CG C 26.4 . 1
146 . 80 MET CE C 14 . 1
147 . 81 ILE CA C 52.3 . 1
148 . 81 ILE CB C 33.2 . 1
149 . 81 ILE CG1 C 25 . 1
150 . 81 ILE CG2 C 15.8 . 1
151 . 81 ILE CD1 C 9.3 . 1
152 . 82 PHE CA C 52.3 . 1
153 . 82 PHE CB C 39.5 . 1
154 . 82 PHE CD1 C 119.1 . 1
155 . 82 PHE CD2 C 119.1 . 1
156 . 82 PHE CE1 C 129.7 . 1
157 . 82 PHE CE2 C 129.7 . 1
158 . 82 PHE CZ C 128.7 . 1
159 . 83 ALA CA C 53 . 1
160 . 83 ALA CB C 17.3 . 1
161 . 84 GLY CA C 49.6 . 1
162 . 85 ILE CA C 58 . 1
163 . 85 ILE CB C 38.3 . 1
164 . 85 ILE CG1 C 25.6 . 1
165 . 85 ILE CG2 C 17.4 . 1
166 . 85 ILE CD1 C 12.8 . 1
167 . 86 LYS CA C 57.2 . 1
168 . 86 LYS CB C 30.9 . 1
169 . 87 LYS CA C 55.6 . 1
170 . 87 LYS CB C 31.5 . 1
171 . 88 LYS CA C 59.3 . 1
172 . 88 LYS CB C 31.2 . 1
173 . 89 THR CA C 63.6 . 1
174 . 89 THR CB C 66.4 . 1
175 . 89 THR CG2 C 21.1 . 1
176 . 94 LEU CD1 C 27.7 . 2
177 . 94 LEU CD2 C 27.4 . 2
178 . 95 ILE CA C 65.2 . 1
179 . 95 ILE CB C 36.4 . 1
180 . 95 ILE CG2 C 16.8 . 1
181 . 95 ILE CD1 C 13.3 . 1
182 . 96 ALA CA C 53.8 . 1
183 . 96 ALA CB C 16.2 . 1
184 . 97 TYR CD1 C 131.2 . 1
185 . 97 TYR CD2 C 131.5 . 1
186 . 97 TYR CE1 C 115.4 . 1
187 . 97 TYR CE2 C 117.1 . 1
188 . 98 LEU CA C 56.4 . 1
189 . 98 LEU CD1 C 24.3 . 2
190 . 98 LEU CD2 C 21.6 . 2
191 . 99 LYS CA C 58 . 1
192 . 100 LYS CB C 31 . 1
193 . 101 ALA CA C 53.2 . 1
194 . 101 ALA CB C 17.3 . 1
195 . 102 THR CA C 61 . 1
196 . 102 THR CB C 68 . 1
197 . 102 THR CG2 C 20.9 . 1
198 . 103 ASN CA C 51.2 . 1
199 . 103 ASN CB C 41.1 . 1
200 . 104 GLU CB C 29.5 . 1
201 . 104 GLU CG C 34.7 . 1
stop_
save_