data_wwPDB_remediated_restraints_file_for_PDB_entry_1r84

# This wwPDB archive file contains, for PDB entry 1r84:
#
# - Sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the NMR restraints share the same atom names as in the coordinate 
# file, and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in
# collaboration with the PDBe (formerly MSD) group at the European
# Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud
# University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.


save_entry_information
   _Entry.Sf_category                   entry_information
   _Entry.Sf_framecode                  entry_information
   _Entry.ID                            rr_1r84
   _Entry.Title                        "wwPDB remediated NMR restraints for PDB entry 1r84"
   _Entry.NMR_STAR_version              3.1
   _Entry.Experimental_method           NMR
   _Entry.Experimental_method_subtype   solution
   _Entry.Details                      "Contains the remediated restraint lists and coordinates for PDB entry 1r84"

save_


save_assembly
   _Assembly.Sf_category            assembly
   _Assembly.Sf_framecode           assembly
   _Assembly.Entry_ID               rr_1r84
   _Assembly.ID                     1
   _Assembly.Name                   1r84
   _Assembly.Number_of_components   3
   _Assembly.Organic_ligands        5
   _Assembly.Metal_ions             0
   _Assembly.Non_standard_bonds     no
   _Assembly.Paramagnetic           no
   _Assembly.Thiol_state           "not present"
   _Assembly.Molecular_mass         25773.6128

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1 Bacteriorhodopsin 2 $Bacteriorhodopsin A . no . . . . . . rr_1r84 1 
      2 RETINAL           3 $RETINAL           B . no . . . . . . rr_1r84 1 
      3 water             1 $water             C . no . . . . . . rr_1r84 1 

   stop_

save_


save_water
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      water
   _Entity.Entry_ID                          rr_1r84
   _Entity.ID                                1
   _Entity.Name                              water
   _Entity.Type                              non-polymer
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_chirality                    yes
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                HOH
   _Entity.Nonpolymer_comp_label            $chem_comp_HOH
   _Entity.Number_of_monomers                1
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      "not present"
   _Entity.Parent_entity_ID                  1

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 . HOH . rr_1r84 1 
      2 . HOH . rr_1r84 1 
      3 . HOH . rr_1r84 1 
      4 . HOH . rr_1r84 1 

   stop_

save_


save_Bacteriorhodopsin
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      Bacteriorhodopsin
   _Entity.Entry_ID                          rr_1r84
   _Entity.ID                                2
   _Entity.Name                              Bacteriorhodopsin
   _Entity.Type                              polymer
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code      
;
QAQITGRPEWIWLALGTALM
GLGTLYFLVKGMGVSDPDAK
KFYAITTLVPAIAFTMYLSM
LLGYGLTMVPFGGEQNPIYW
ARYADWLFTTPLLLLDLALL
VDADQGTILALVGADGIMIG
TGLVGALTKVYSYRFVWWAI
STAAMLYILYVLFFGFTSKA
ESMRPEVASTFKVLRNVTVV
LWSAYPVVWLIGSEGAGIVP
LNIETLLFMVLDVSAKVGFG
LILLRSRAIFGE
;
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Number_of_monomers                232
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      "not present"
   _Entity.Parent_entity_ID                  2
   _Entity.Formula_weight                    25417.1114

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

        1 . GLN . rr_1r84 2 
        2 . ALA . rr_1r84 2 
        3 . GLN . rr_1r84 2 
        4 . ILE . rr_1r84 2 
        5 . THR . rr_1r84 2 
        6 . GLY . rr_1r84 2 
        7 . ARG . rr_1r84 2 
        8 . PRO . rr_1r84 2 
        9 . GLU . rr_1r84 2 
       10 . TRP . rr_1r84 2 
       11 . ILE . rr_1r84 2 
       12 . TRP . rr_1r84 2 
       13 . LEU . rr_1r84 2 
       14 . ALA . rr_1r84 2 
       15 . LEU . rr_1r84 2 
       16 . GLY . rr_1r84 2 
       17 . THR . rr_1r84 2 
       18 . ALA . rr_1r84 2 
       19 . LEU . rr_1r84 2 
       20 . MET . rr_1r84 2 
       21 . GLY . rr_1r84 2 
       22 . LEU . rr_1r84 2 
       23 . GLY . rr_1r84 2 
       24 . THR . rr_1r84 2 
       25 . LEU . rr_1r84 2 
       26 . TYR . rr_1r84 2 
       27 . PHE . rr_1r84 2 
       28 . LEU . rr_1r84 2 
       29 . VAL . rr_1r84 2 
       30 . LYS . rr_1r84 2 
       31 . GLY . rr_1r84 2 
       32 . MET . rr_1r84 2 
       33 . GLY . rr_1r84 2 
       34 . VAL . rr_1r84 2 
       35 . SER . rr_1r84 2 
       36 . ASP . rr_1r84 2 
       37 . PRO . rr_1r84 2 
       38 . ASP . rr_1r84 2 
       39 . ALA . rr_1r84 2 
       40 . LYS . rr_1r84 2 
       41 . LYS . rr_1r84 2 
       42 . PHE . rr_1r84 2 
       43 . TYR . rr_1r84 2 
       44 . ALA . rr_1r84 2 
       45 . ILE . rr_1r84 2 
       46 . THR . rr_1r84 2 
       47 . THR . rr_1r84 2 
       48 . LEU . rr_1r84 2 
       49 . VAL . rr_1r84 2 
       50 . PRO . rr_1r84 2 
       51 . ALA . rr_1r84 2 
       52 . ILE . rr_1r84 2 
       53 . ALA . rr_1r84 2 
       54 . PHE . rr_1r84 2 
       55 . THR . rr_1r84 2 
       56 . MET . rr_1r84 2 
       57 . TYR . rr_1r84 2 
       58 . LEU . rr_1r84 2 
       59 . SER . rr_1r84 2 
       60 . MET . rr_1r84 2 
       61 . LEU . rr_1r84 2 
       62 . LEU . rr_1r84 2 
       63 . GLY . rr_1r84 2 
       64 . TYR . rr_1r84 2 
       65 . GLY . rr_1r84 2 
       66 . LEU . rr_1r84 2 
       67 . THR . rr_1r84 2 
       68 . MET . rr_1r84 2 
       69 . VAL . rr_1r84 2 
       70 . PRO . rr_1r84 2 
       71 . PHE . rr_1r84 2 
       72 . GLY . rr_1r84 2 
       73 . GLY . rr_1r84 2 
       74 . GLU . rr_1r84 2 
       75 . GLN . rr_1r84 2 
       76 . ASN . rr_1r84 2 
       77 . PRO . rr_1r84 2 
       78 . ILE . rr_1r84 2 
       79 . TYR . rr_1r84 2 
       80 . TRP . rr_1r84 2 
       81 . ALA . rr_1r84 2 
       82 . ARG . rr_1r84 2 
       83 . TYR . rr_1r84 2 
       84 . ALA . rr_1r84 2 
       85 . ASP . rr_1r84 2 
       86 . TRP . rr_1r84 2 
       87 . LEU . rr_1r84 2 
       88 . PHE . rr_1r84 2 
       89 . THR . rr_1r84 2 
       90 . THR . rr_1r84 2 
       91 . PRO . rr_1r84 2 
       92 . LEU . rr_1r84 2 
       93 . LEU . rr_1r84 2 
       94 . LEU . rr_1r84 2 
       95 . LEU . rr_1r84 2 
       96 . ASP . rr_1r84 2 
       97 . LEU . rr_1r84 2 
       98 . ALA . rr_1r84 2 
       99 . LEU . rr_1r84 2 
      100 . LEU . rr_1r84 2 
      101 . VAL . rr_1r84 2 
      102 . ASP . rr_1r84 2 
      103 . ALA . rr_1r84 2 
      104 . ASP . rr_1r84 2 
      105 . GLN . rr_1r84 2 
      106 . GLY . rr_1r84 2 
      107 . THR . rr_1r84 2 
      108 . ILE . rr_1r84 2 
      109 . LEU . rr_1r84 2 
      110 . ALA . rr_1r84 2 
      111 . LEU . rr_1r84 2 
      112 . VAL . rr_1r84 2 
      113 . GLY . rr_1r84 2 
      114 . ALA . rr_1r84 2 
      115 . ASP . rr_1r84 2 
      116 . GLY . rr_1r84 2 
      117 . ILE . rr_1r84 2 
      118 . MET . rr_1r84 2 
      119 . ILE . rr_1r84 2 
      120 . GLY . rr_1r84 2 
      121 . THR . rr_1r84 2 
      122 . GLY . rr_1r84 2 
      123 . LEU . rr_1r84 2 
      124 . VAL . rr_1r84 2 
      125 . GLY . rr_1r84 2 
      126 . ALA . rr_1r84 2 
      127 . LEU . rr_1r84 2 
      128 . THR . rr_1r84 2 
      129 . LYS . rr_1r84 2 
      130 . VAL . rr_1r84 2 
      131 . TYR . rr_1r84 2 
      132 . SER . rr_1r84 2 
      133 . TYR . rr_1r84 2 
      134 . ARG . rr_1r84 2 
      135 . PHE . rr_1r84 2 
      136 . VAL . rr_1r84 2 
      137 . TRP . rr_1r84 2 
      138 . TRP . rr_1r84 2 
      139 . ALA . rr_1r84 2 
      140 . ILE . rr_1r84 2 
      141 . SER . rr_1r84 2 
      142 . THR . rr_1r84 2 
      143 . ALA . rr_1r84 2 
      144 . ALA . rr_1r84 2 
      145 . MET . rr_1r84 2 
      146 . LEU . rr_1r84 2 
      147 . TYR . rr_1r84 2 
      148 . ILE . rr_1r84 2 
      149 . LEU . rr_1r84 2 
      150 . TYR . rr_1r84 2 
      151 . VAL . rr_1r84 2 
      152 . LEU . rr_1r84 2 
      153 . PHE . rr_1r84 2 
      154 . PHE . rr_1r84 2 
      155 . GLY . rr_1r84 2 
      156 . PHE . rr_1r84 2 
      157 . THR . rr_1r84 2 
      158 . SER . rr_1r84 2 
      159 . LYS . rr_1r84 2 
      160 . ALA . rr_1r84 2 
      161 . GLU . rr_1r84 2 
      162 . SER . rr_1r84 2 
      163 . MET . rr_1r84 2 
      164 . ARG . rr_1r84 2 
      165 . PRO . rr_1r84 2 
      166 . GLU . rr_1r84 2 
      167 . VAL . rr_1r84 2 
      168 . ALA . rr_1r84 2 
      169 . SER . rr_1r84 2 
      170 . THR . rr_1r84 2 
      171 . PHE . rr_1r84 2 
      172 . LYS . rr_1r84 2 
      173 . VAL . rr_1r84 2 
      174 . LEU . rr_1r84 2 
      175 . ARG . rr_1r84 2 
      176 . ASN . rr_1r84 2 
      177 . VAL . rr_1r84 2 
      178 . THR . rr_1r84 2 
      179 . VAL . rr_1r84 2 
      180 . VAL . rr_1r84 2 
      181 . LEU . rr_1r84 2 
      182 . TRP . rr_1r84 2 
      183 . SER . rr_1r84 2 
      184 . ALA . rr_1r84 2 
      185 . TYR . rr_1r84 2 
      186 . PRO . rr_1r84 2 
      187 . VAL . rr_1r84 2 
      188 . VAL . rr_1r84 2 
      189 . TRP . rr_1r84 2 
      190 . LEU . rr_1r84 2 
      191 . ILE . rr_1r84 2 
      192 . GLY . rr_1r84 2 
      193 . SER . rr_1r84 2 
      194 . GLU . rr_1r84 2 
      195 . GLY . rr_1r84 2 
      196 . ALA . rr_1r84 2 
      197 . GLY . rr_1r84 2 
      198 . ILE . rr_1r84 2 
      199 . VAL . rr_1r84 2 
      200 . PRO . rr_1r84 2 
      201 . LEU . rr_1r84 2 
      202 . ASN . rr_1r84 2 
      203 . ILE . rr_1r84 2 
      204 . GLU . rr_1r84 2 
      205 . THR . rr_1r84 2 
      206 . LEU . rr_1r84 2 
      207 . LEU . rr_1r84 2 
      208 . PHE . rr_1r84 2 
      209 . MET . rr_1r84 2 
      210 . VAL . rr_1r84 2 
      211 . LEU . rr_1r84 2 
      212 . ASP . rr_1r84 2 
      213 . VAL . rr_1r84 2 
      214 . SER . rr_1r84 2 
      215 . ALA . rr_1r84 2 
      216 . LYS . rr_1r84 2 
      217 . VAL . rr_1r84 2 
      218 . GLY . rr_1r84 2 
      219 . PHE . rr_1r84 2 
      220 . GLY . rr_1r84 2 
      221 . LEU . rr_1r84 2 
      222 . ILE . rr_1r84 2 
      223 . LEU . rr_1r84 2 
      224 . LEU . rr_1r84 2 
      225 . ARG . rr_1r84 2 
      226 . SER . rr_1r84 2 
      227 . ARG . rr_1r84 2 
      228 . ALA . rr_1r84 2 
      229 . ILE . rr_1r84 2 
      230 . PHE . rr_1r84 2 
      231 . GLY . rr_1r84 2 
      232 . GLU . rr_1r84 2 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . GLN   1   1 rr_1r84 2 
      . ALA   2   2 rr_1r84 2 
      . GLN   3   3 rr_1r84 2 
      . ILE   4   4 rr_1r84 2 
      . THR   5   5 rr_1r84 2 
      . GLY   6   6 rr_1r84 2 
      . ARG   7   7 rr_1r84 2 
      . PRO   8   8 rr_1r84 2 
      . GLU   9   9 rr_1r84 2 
      . TRP  10  10 rr_1r84 2 
      . ILE  11  11 rr_1r84 2 
      . TRP  12  12 rr_1r84 2 
      . LEU  13  13 rr_1r84 2 
      . ALA  14  14 rr_1r84 2 
      . LEU  15  15 rr_1r84 2 
      . GLY  16  16 rr_1r84 2 
      . THR  17  17 rr_1r84 2 
      . ALA  18  18 rr_1r84 2 
      . LEU  19  19 rr_1r84 2 
      . MET  20  20 rr_1r84 2 
      . GLY  21  21 rr_1r84 2 
      . LEU  22  22 rr_1r84 2 
      . GLY  23  23 rr_1r84 2 
      . THR  24  24 rr_1r84 2 
      . LEU  25  25 rr_1r84 2 
      . TYR  26  26 rr_1r84 2 
      . PHE  27  27 rr_1r84 2 
      . LEU  28  28 rr_1r84 2 
      . VAL  29  29 rr_1r84 2 
      . LYS  30  30 rr_1r84 2 
      . GLY  31  31 rr_1r84 2 
      . MET  32  32 rr_1r84 2 
      . GLY  33  33 rr_1r84 2 
      . VAL  34  34 rr_1r84 2 
      . SER  35  35 rr_1r84 2 
      . ASP  36  36 rr_1r84 2 
      . PRO  37  37 rr_1r84 2 
      . ASP  38  38 rr_1r84 2 
      . ALA  39  39 rr_1r84 2 
      . LYS  40  40 rr_1r84 2 
      . LYS  41  41 rr_1r84 2 
      . PHE  42  42 rr_1r84 2 
      . TYR  43  43 rr_1r84 2 
      . ALA  44  44 rr_1r84 2 
      . ILE  45  45 rr_1r84 2 
      . THR  46  46 rr_1r84 2 
      . THR  47  47 rr_1r84 2 
      . LEU  48  48 rr_1r84 2 
      . VAL  49  49 rr_1r84 2 
      . PRO  50  50 rr_1r84 2 
      . ALA  51  51 rr_1r84 2 
      . ILE  52  52 rr_1r84 2 
      . ALA  53  53 rr_1r84 2 
      . PHE  54  54 rr_1r84 2 
      . THR  55  55 rr_1r84 2 
      . MET  56  56 rr_1r84 2 
      . TYR  57  57 rr_1r84 2 
      . LEU  58  58 rr_1r84 2 
      . SER  59  59 rr_1r84 2 
      . MET  60  60 rr_1r84 2 
      . LEU  61  61 rr_1r84 2 
      . LEU  62  62 rr_1r84 2 
      . GLY  63  63 rr_1r84 2 
      . TYR  64  64 rr_1r84 2 
      . GLY  65  65 rr_1r84 2 
      . LEU  66  66 rr_1r84 2 
      . THR  67  67 rr_1r84 2 
      . MET  68  68 rr_1r84 2 
      . VAL  69  69 rr_1r84 2 
      . PRO  70  70 rr_1r84 2 
      . PHE  71  71 rr_1r84 2 
      . GLY  72  72 rr_1r84 2 
      . GLY  73  73 rr_1r84 2 
      . GLU  74  74 rr_1r84 2 
      . GLN  75  75 rr_1r84 2 
      . ASN  76  76 rr_1r84 2 
      . PRO  77  77 rr_1r84 2 
      . ILE  78  78 rr_1r84 2 
      . TYR  79  79 rr_1r84 2 
      . TRP  80  80 rr_1r84 2 
      . ALA  81  81 rr_1r84 2 
      . ARG  82  82 rr_1r84 2 
      . TYR  83  83 rr_1r84 2 
      . ALA  84  84 rr_1r84 2 
      . ASP  85  85 rr_1r84 2 
      . TRP  86  86 rr_1r84 2 
      . LEU  87  87 rr_1r84 2 
      . PHE  88  88 rr_1r84 2 
      . THR  89  89 rr_1r84 2 
      . THR  90  90 rr_1r84 2 
      . PRO  91  91 rr_1r84 2 
      . LEU  92  92 rr_1r84 2 
      . LEU  93  93 rr_1r84 2 
      . LEU  94  94 rr_1r84 2 
      . LEU  95  95 rr_1r84 2 
      . ASP  96  96 rr_1r84 2 
      . LEU  97  97 rr_1r84 2 
      . ALA  98  98 rr_1r84 2 
      . LEU  99  99 rr_1r84 2 
      . LEU 100 100 rr_1r84 2 
      . VAL 101 101 rr_1r84 2 
      . ASP 102 102 rr_1r84 2 
      . ALA 103 103 rr_1r84 2 
      . ASP 104 104 rr_1r84 2 
      . GLN 105 105 rr_1r84 2 
      . GLY 106 106 rr_1r84 2 
      . THR 107 107 rr_1r84 2 
      . ILE 108 108 rr_1r84 2 
      . LEU 109 109 rr_1r84 2 
      . ALA 110 110 rr_1r84 2 
      . LEU 111 111 rr_1r84 2 
      . VAL 112 112 rr_1r84 2 
      . GLY 113 113 rr_1r84 2 
      . ALA 114 114 rr_1r84 2 
      . ASP 115 115 rr_1r84 2 
      . GLY 116 116 rr_1r84 2 
      . ILE 117 117 rr_1r84 2 
      . MET 118 118 rr_1r84 2 
      . ILE 119 119 rr_1r84 2 
      . GLY 120 120 rr_1r84 2 
      . THR 121 121 rr_1r84 2 
      . GLY 122 122 rr_1r84 2 
      . LEU 123 123 rr_1r84 2 
      . VAL 124 124 rr_1r84 2 
      . GLY 125 125 rr_1r84 2 
      . ALA 126 126 rr_1r84 2 
      . LEU 127 127 rr_1r84 2 
      . THR 128 128 rr_1r84 2 
      . LYS 129 129 rr_1r84 2 
      . VAL 130 130 rr_1r84 2 
      . TYR 131 131 rr_1r84 2 
      . SER 132 132 rr_1r84 2 
      . TYR 133 133 rr_1r84 2 
      . ARG 134 134 rr_1r84 2 
      . PHE 135 135 rr_1r84 2 
      . VAL 136 136 rr_1r84 2 
      . TRP 137 137 rr_1r84 2 
      . TRP 138 138 rr_1r84 2 
      . ALA 139 139 rr_1r84 2 
      . ILE 140 140 rr_1r84 2 
      . SER 141 141 rr_1r84 2 
      . THR 142 142 rr_1r84 2 
      . ALA 143 143 rr_1r84 2 
      . ALA 144 144 rr_1r84 2 
      . MET 145 145 rr_1r84 2 
      . LEU 146 146 rr_1r84 2 
      . TYR 147 147 rr_1r84 2 
      . ILE 148 148 rr_1r84 2 
      . LEU 149 149 rr_1r84 2 
      . TYR 150 150 rr_1r84 2 
      . VAL 151 151 rr_1r84 2 
      . LEU 152 152 rr_1r84 2 
      . PHE 153 153 rr_1r84 2 
      . PHE 154 154 rr_1r84 2 
      . GLY 155 155 rr_1r84 2 
      . PHE 156 156 rr_1r84 2 
      . THR 157 157 rr_1r84 2 
      . SER 158 158 rr_1r84 2 
      . LYS 159 159 rr_1r84 2 
      . ALA 160 160 rr_1r84 2 
      . GLU 161 161 rr_1r84 2 
      . SER 162 162 rr_1r84 2 
      . MET 163 163 rr_1r84 2 
      . ARG 164 164 rr_1r84 2 
      . PRO 165 165 rr_1r84 2 
      . GLU 166 166 rr_1r84 2 
      . VAL 167 167 rr_1r84 2 
      . ALA 168 168 rr_1r84 2 
      . SER 169 169 rr_1r84 2 
      . THR 170 170 rr_1r84 2 
      . PHE 171 171 rr_1r84 2 
      . LYS 172 172 rr_1r84 2 
      . VAL 173 173 rr_1r84 2 
      . LEU 174 174 rr_1r84 2 
      . ARG 175 175 rr_1r84 2 
      . ASN 176 176 rr_1r84 2 
      . VAL 177 177 rr_1r84 2 
      . THR 178 178 rr_1r84 2 
      . VAL 179 179 rr_1r84 2 
      . VAL 180 180 rr_1r84 2 
      . LEU 181 181 rr_1r84 2 
      . TRP 182 182 rr_1r84 2 
      . SER 183 183 rr_1r84 2 
      . ALA 184 184 rr_1r84 2 
      . TYR 185 185 rr_1r84 2 
      . PRO 186 186 rr_1r84 2 
      . VAL 187 187 rr_1r84 2 
      . VAL 188 188 rr_1r84 2 
      . TRP 189 189 rr_1r84 2 
      . LEU 190 190 rr_1r84 2 
      . ILE 191 191 rr_1r84 2 
      . GLY 192 192 rr_1r84 2 
      . SER 193 193 rr_1r84 2 
      . GLU 194 194 rr_1r84 2 
      . GLY 195 195 rr_1r84 2 
      . ALA 196 196 rr_1r84 2 
      . GLY 197 197 rr_1r84 2 
      . ILE 198 198 rr_1r84 2 
      . VAL 199 199 rr_1r84 2 
      . PRO 200 200 rr_1r84 2 
      . LEU 201 201 rr_1r84 2 
      . ASN 202 202 rr_1r84 2 
      . ILE 203 203 rr_1r84 2 
      . GLU 204 204 rr_1r84 2 
      . THR 205 205 rr_1r84 2 
      . LEU 206 206 rr_1r84 2 
      . LEU 207 207 rr_1r84 2 
      . PHE 208 208 rr_1r84 2 
      . MET 209 209 rr_1r84 2 
      . VAL 210 210 rr_1r84 2 
      . LEU 211 211 rr_1r84 2 
      . ASP 212 212 rr_1r84 2 
      . VAL 213 213 rr_1r84 2 
      . SER 214 214 rr_1r84 2 
      . ALA 215 215 rr_1r84 2 
      . LYS 216 216 rr_1r84 2 
      . VAL 217 217 rr_1r84 2 
      . GLY 218 218 rr_1r84 2 
      . PHE 219 219 rr_1r84 2 
      . GLY 220 220 rr_1r84 2 
      . LEU 221 221 rr_1r84 2 
      . ILE 222 222 rr_1r84 2 
      . LEU 223 223 rr_1r84 2 
      . LEU 224 224 rr_1r84 2 
      . ARG 225 225 rr_1r84 2 
      . SER 226 226 rr_1r84 2 
      . ARG 227 227 rr_1r84 2 
      . ALA 228 228 rr_1r84 2 
      . ILE 229 229 rr_1r84 2 
      . PHE 230 230 rr_1r84 2 
      . GLY 231 231 rr_1r84 2 
      . GLU 232 232 rr_1r84 2 

   stop_

save_


save_RETINAL
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      RETINAL
   _Entity.Entry_ID                          rr_1r84
   _Entity.ID                                3
   _Entity.Name                              RETINAL
   _Entity.Type                              non-polymer
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_chirality                    yes
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                RET
   _Entity.Nonpolymer_comp_label            $chem_comp_RET
   _Entity.Number_of_monomers                1
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      "not present"
   _Entity.Parent_entity_ID                  3

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 . RET . rr_1r84 3 

   stop_

save_


save_chem_comp_HOH
   _Chem_comp.Sf_category      chem_comp
   _Chem_comp.Sf_framecode     chem_comp_HOH
   _Chem_comp.Entry_ID         rr_1r84
   _Chem_comp.ID               HOH
   _Chem_comp.Name             WATER
   _Chem_comp.Type             water
   _Chem_comp.PDB_code         HOH
   _Chem_comp.Formal_charge    0
   _Chem_comp.Paramagnetic     no
   _Chem_comp.Aromatic         no
   _Chem_comp.Formula         "H2 O"
   _Chem_comp.Formula_weight   18.0152

save_


save_chem_comp_RET
   _Chem_comp.Sf_category      chem_comp
   _Chem_comp.Sf_framecode     chem_comp_RET
   _Chem_comp.Entry_ID         rr_1r84
   _Chem_comp.ID               RET
   _Chem_comp.Name             RETINAL
   _Chem_comp.Type             non-polymer
   _Chem_comp.PDB_code         RET
   _Chem_comp.Formal_charge    0
   _Chem_comp.Paramagnetic     no
   _Chem_comp.Aromatic         no
   _Chem_comp.Formula         "C20 H28 O"
   _Chem_comp.Formula_weight   284.4406

save_


save_conformer_statistics
   _Conformer_stat_list.Sf_category                     conformer_statistics
   _Conformer_stat_list.Sf_framecode                    conformer_statistics
   _Conformer_stat_list.Entry_ID                        rr_1r84
   _Conformer_stat_list.ID                              1
   _Conformer_stat_list.Conf_family_coord_set_ID        1
   _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
   _Conformer_stat_list.Conformer_submitted_total_num   12

save_


save_global_Org_file_characteristics
   _Constraint_stat_list.Sf_framecode   global_Org_file_characteristics
   _Constraint_stat_list.Sf_category    constraint_statistics
   _Constraint_stat_list.Entry_ID       rr_1r84
   _Constraint_stat_list.ID             1

   loop_
      _Constraint_file.ID
      _Constraint_file.Constraint_filename
      _Constraint_file.Software_ID
      _Constraint_file.Software_label
      _Constraint_file.Software_name
      _Constraint_file.Block_ID
      _Constraint_file.Constraint_type
      _Constraint_file.Constraint_subtype
      _Constraint_file.Constraint_subsubtype
      _Constraint_file.Constraint_number
      _Constraint_file.Entry_ID
      _Constraint_file.Constraint_stat_list_ID

      1 1r84.mr . . "MR format" 1  comment               "Not applicable" "Not applicable" 0 rr_1r84 1 
      1 1r84.mr . .  unknown    2  distance               NOE              ambi            0 rr_1r84 1 
      1 1r84.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1r84 1 

   stop_

save_


save_MR_file_comment_1
   _Org_constr_file_comment.Sf_framecode         MR_file_comment_1
   _Org_constr_file_comment.Sf_category          org_constr_file_comment
   _Org_constr_file_comment.Entry_ID             rr_1r84
   _Org_constr_file_comment.ID                   1
   _Org_constr_file_comment.Constraint_file_ID   1
   _Org_constr_file_comment.Block_ID             1
   _Org_constr_file_comment.Details             "Generated by Wattos"
   _Org_constr_file_comment.Comment             
;
*HEADER MEMBRANE PROTEIN 23-OCT-03 1R84 *TITLE NMR STRUCTURE OF THE 13-CIS-15-SYN RETINAL IN DARK_ADAPTED *TITLE 2 BACTERIORHODOPSIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BACTERIORHODOPSIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 1-232; *COMPND 5 SYNONYM: BR *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; *SOURCE 3 ORGANISM_COMMON: ARCHAEA; *SOURCE 4 STRAIN: R1 *KEYWDS PROTON PUMP, MEMBRANE PROTEIN, RETINAL PROTEIN, NMR, *KEYWDS 2 PHOTORECEPTOR, HALOARCHEA, PROTON TRANSPORT *EXPDTA NMR, 12 STRUCTURES *AUTHOR H.PATZELT, B.SIMON, A.TER LAAK, B.KESSLER, R.KUHNE, *AUTHOR 2 P.SCHMIEDER, D.OESTERHAELT, H.OSCHKINAT *REVDAT 1 11-NOV-03 1R84 0 
;

save_

