global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
GME      GME '5-O-methyl-glutamic acid            ' peptide            21  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GME
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 GME           N      N    NH2       0.000      0.000    0.000    0.000
 GME           HN1    H    H         0.000      0.854    0.257    0.481
 GME           HN2    H    H         0.000     -0.251   -0.979   -0.076
 GME           CA     C    CH1       0.000     -0.865    1.036   -0.581
 GME           HA     H    H         0.000     -0.885    0.926   -1.675
 GME           CB     C    CH2       0.000     -2.284    0.885   -0.028
 GME           H1B    H    H         0.000     -2.905    1.708   -0.388
 GME           H2B    H    H         0.000     -2.252    0.906    1.064
 GME           CG     C    CH2       0.000     -2.875   -0.446   -0.497
 GME           H1G    H    H         0.000     -2.253   -1.268   -0.136
 GME           H2G    H    H         0.000     -2.905   -0.467   -1.588
 GME           CD     C    C         0.000     -4.272   -0.595    0.048
 GME           OE1    O    O        -0.500     -4.763    0.305    0.764
 GME           OE2    O    O2       -0.500     -4.940   -1.618   -0.217
 GME           CX     C    CH3       0.000     -6.328   -1.769    0.323
 GME           H3X    H    H         0.000     -6.951   -0.983   -0.035
 GME           H2X    H    H         0.000     -6.745   -2.699    0.017
 GME           H1X    H    H         0.000     -6.317   -1.736    1.387
 GME           C      C    C         0.000     -0.329    2.397   -0.223
 GME           O      O    OC       -0.500      0.452    2.528    0.746
 GME           OXT    O    OC       -0.500     -0.668    3.399   -0.891
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 GME      N      n/a    CA     START
 GME      HN1    N      .      .
 GME      HN2    N      .      .
 GME      CA     N      C      .
 GME      HA     CA     .      .
 GME      CB     CA     CG     .
 GME      H1B    CB     .      .
 GME      H2B    CB     .      .
 GME      CG     CB     CD     .
 GME      H1G    CG     .      .
 GME      H2G    CG     .      .
 GME      CD     CG     OE2    .
 GME      OE1    CD     .      .
 GME      OE2    CD     CX     .
 GME      CX     OE2    H1X    .
 GME      H3X    CX     .      .
 GME      H2X    CX     .      .
 GME      H1X    CX     .      .
 GME      C      CA     .      END
 GME      O      C      .      .
 GME      OXT    C      .      .
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 GME      O      C         deloc       1.250    0.020
 GME      OXT    C         deloc       1.250    0.020
 GME      CA     N         single      1.450    0.020
 GME      C      CA        single      1.500    0.020
 GME      CB     CA        single      1.524    0.020
 GME      H2B    CB        single      1.092    0.020
 GME      CG     CB        single      1.524    0.020
 GME      OE2    CD        deloc       1.454    0.020
 GME      CD     CG        single      1.510    0.020
 GME      H1G    CG        single      1.092    0.020
 GME      CX     OE2       single      1.426    0.020
 GME      H1X    CX        single      1.059    0.020
 GME      OE1    CD        deloc       1.220    0.020
 GME      HA     CA        single      1.099    0.020
 GME      H1B    CB        single      1.092    0.020
 GME      H2G    CG        single      1.092    0.020
 GME      H2X    CX        single      1.059    0.020
 GME      H3X    CX        single      1.059    0.020
 GME      HN1    N         single      1.010    0.020
 GME      HN2    N         single      1.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 GME      HN1    N      HN2     120.000    3.000
 GME      HN1    N      CA      120.000    3.000
 GME      HN2    N      CA      120.000    3.000
 GME      N      CA     HA      109.470    3.000
 GME      N      CA     CB      109.470    3.000
 GME      N      CA     C       109.470    3.000
 GME      HA     CA     CB      108.340    3.000
 GME      HA     CA     C       108.810    3.000
 GME      CB     CA     C       109.470    3.000
 GME      CA     CB     H1B     109.470    3.000
 GME      CA     CB     H2B     109.470    3.000
 GME      CA     CB     CG      111.000    3.000
 GME      H1B    CB     H2B     107.900    3.000
 GME      H1B    CB     CG      109.470    3.000
 GME      H2B    CB     CG      109.470    3.000
 GME      CB     CG     H1G     109.470    3.000
 GME      CB     CG     H2G     109.470    3.000
 GME      CB     CG     CD      109.470    3.000
 GME      H1G    CG     H2G     107.900    3.000
 GME      H1G    CG     CD      109.470    3.000
 GME      H2G    CG     CD      109.470    3.000
 GME      CG     CD     OE1     120.500    3.000
 GME      CG     CD     OE2     120.000    3.000
 GME      OE1    CD     OE2     119.000    3.000
 GME      CD     OE2    CX      120.000    3.000
 GME      OE2    CX     H3X     109.470    3.000
 GME      OE2    CX     H2X     109.470    3.000
 GME      OE2    CX     H1X     109.470    3.000
 GME      H3X    CX     H2X     109.470    3.000
 GME      H3X    CX     H1X     109.470    3.000
 GME      H2X    CX     H1X     109.470    3.000
 GME      CA     C      O       118.500    3.000
 GME      CA     C      OXT     118.500    3.000
 GME      O      C      OXT     123.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 GME      var_1    HN2    N      CA     C        175.000   20.000   1
 GME      var_2    N      CA     CB     CG       -65.032   20.000   3
 GME      var_3    CA     CB     CG     CD      -179.973   20.000   3
 GME      var_4    CB     CG     CD     OE2      179.999   20.000   3
 GME      var_5    CG     CD     OE2    CX       179.991   20.000   1
 GME      var_6    CD     OE2    CX     H1X      -59.063   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 GME      chir_01  CA     C      N      CB        negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 GME      plan-1    C         0.020
 GME      plan-1    O         0.020
 GME      plan-1    CA        0.020
 GME      plan-1    OXT       0.020
 GME      plan-2    N         0.020
 GME      plan-2    CA        0.020
 GME      plan-2    HN1       0.020
 GME      plan-2    HN2       0.020
 GME      plan-3    CD        0.020
 GME      plan-3    CG        0.020
 GME      plan-3    OE1       0.020
 GME      plan-3    OE2       0.020
# ------------------------------------------------------
