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
TYC      TYC 'L-TYROSINAMIDE                      ' non-polymer        25  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TYC
#
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
 TYC           O      O    O         0.000      0.000    0.000    0.000
 TYC           C      C    C         0.000     -0.997    0.287    0.626
 TYC           NXT    N    NH2       0.000     -0.948    0.374    1.969
 TYC           HT22   H    H         0.000     -1.779    0.613    2.496
 TYC           HT21   H    H         0.000     -0.080    0.200    2.461
 TYC           CA     C    CH1       0.000     -2.293    0.546   -0.099
 TYC           HA     H    H         0.000     -2.893    1.268    0.471
 TYC           N      N    NH2       0.000     -2.007    1.092   -1.432
 TYC           H      H    H         0.000     -2.355    2.007   -1.695
 TYC           H0     H    H         0.000     -1.461    0.558   -2.098
 TYC           CB     C    CH2       0.000     -3.070   -0.763   -0.241
 TYC           HB1    H    H         0.000     -3.281   -1.169    0.751
 TYC           HB2    H    H         0.000     -2.472   -1.481   -0.807
 TYC           CG     C    CR6       0.000     -4.364   -0.504   -0.965
 TYC           CD2    C    CR16      0.000     -5.503   -0.182   -0.250
 TYC           HD2    H    H         0.000     -5.464   -0.120    0.831
 TYC           CE2    C    CR16      0.000     -6.690    0.061   -0.912
 TYC           HE2    H    H         0.000     -7.580    0.321   -0.352
 TYC           CZ     C    CR6       0.000     -6.742   -0.028   -2.296
 TYC           OH     O    OH1       0.000     -7.911    0.207   -2.949
 TYC           HH     H    H         0.000     -8.401   -0.622   -3.039
 TYC           CE1    C    CR16      0.000     -5.600   -0.356   -3.010
 TYC           HE1    H    H         0.000     -5.639   -0.426   -4.090
 TYC           CD1    C    CR16      0.000     -4.413   -0.594   -2.344
 TYC           HD1    H    H         0.000     -3.521   -0.852   -2.901
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
 TYC      O      n/a    C      START
 TYC      C      O      CA     .
 TYC      NXT    C      HT21   .
 TYC      HT22   NXT    .      .
 TYC      HT21   NXT    .      .
 TYC      CA     C      CB     .
 TYC      HA     CA     .      .
 TYC      N      CA     H0     .
 TYC      H      N      .      .
 TYC      H0     N      .      .
 TYC      CB     CA     CG     .
 TYC      HB1    CB     .      .
 TYC      HB2    CB     .      .
 TYC      CG     CB     CD2    .
 TYC      CD2    CG     CE2    .
 TYC      HD2    CD2    .      .
 TYC      CE2    CD2    CZ     .
 TYC      HE2    CE2    .      .
 TYC      CZ     CE2    CE1    .
 TYC      OH     CZ     HH     .
 TYC      HH     OH     .      .
 TYC      CE1    CZ     CD1    .
 TYC      HE1    CE1    .      .
 TYC      CD1    CE1    HD1    .
 TYC      HD1    CD1    .      END
 TYC      CG     CD1    .    ADD
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
 TYC      N      CA        single      1.450    0.020
 TYC      H0     N         single      1.010    0.020
 TYC      H      N         single      1.010    0.020
 TYC      CA     C         single      1.500    0.020
 TYC      CB     CA        single      1.524    0.020
 TYC      HA     CA        single      1.099    0.020
 TYC      C      O         double      1.220    0.020
 TYC      NXT    C         single      1.332    0.020
 TYC      CG     CB        single      1.511    0.020
 TYC      HB1    CB        single      1.092    0.020
 TYC      HB2    CB        single      1.092    0.020
 TYC      CG     CD1       double      1.390    0.020
 TYC      CD2    CG        single      1.390    0.020
 TYC      CD1    CE1       single      1.390    0.020
 TYC      HD1    CD1       single      1.083    0.020
 TYC      CE2    CD2       double      1.390    0.020
 TYC      HD2    CD2       single      1.083    0.020
 TYC      CE1    CZ        double      1.390    0.020
 TYC      HE1    CE1       single      1.083    0.020
 TYC      CZ     CE2       single      1.390    0.020
 TYC      HE2    CE2       single      1.083    0.020
 TYC      OH     CZ        single      1.362    0.020
 TYC      HH     OH        single      0.967    0.020
 TYC      HT21   NXT       single      1.010    0.020
 TYC      HT22   NXT       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
 TYC      O      C      NXT     123.000    3.000
 TYC      O      C      CA      120.500    3.000
 TYC      NXT    C      CA      120.000    3.000
 TYC      C      NXT    HT22    120.000    3.000
 TYC      C      NXT    HT21    120.000    3.000
 TYC      HT22   NXT    HT21    120.000    3.000
 TYC      C      CA     HA      108.810    3.000
 TYC      C      CA     N       109.470    3.000
 TYC      C      CA     CB      109.470    3.000
 TYC      HA     CA     N       109.470    3.000
 TYC      HA     CA     CB      108.340    3.000
 TYC      N      CA     CB      109.470    3.000
 TYC      CA     N      H       120.000    3.000
 TYC      CA     N      H0      120.000    3.000
 TYC      H      N      H0      120.000    3.000
 TYC      CA     CB     HB1     109.470    3.000
 TYC      CA     CB     HB2     109.470    3.000
 TYC      CA     CB     CG      109.470    3.000
 TYC      HB1    CB     HB2     107.900    3.000
 TYC      HB1    CB     CG      109.470    3.000
 TYC      HB2    CB     CG      109.470    3.000
 TYC      CB     CG     CD2     120.000    3.000
 TYC      CB     CG     CD1     120.000    3.000
 TYC      CD2    CG     CD1     120.000    3.000
 TYC      CG     CD2    HD2     120.000    3.000
 TYC      CG     CD2    CE2     120.000    3.000
 TYC      HD2    CD2    CE2     120.000    3.000
 TYC      CD2    CE2    HE2     120.000    3.000
 TYC      CD2    CE2    CZ      120.000    3.000
 TYC      HE2    CE2    CZ      120.000    3.000
 TYC      CE2    CZ     OH      120.000    3.000
 TYC      CE2    CZ     CE1     120.000    3.000
 TYC      OH     CZ     CE1     120.000    3.000
 TYC      CZ     OH     HH      109.470    3.000
 TYC      CZ     CE1    HE1     120.000    3.000
 TYC      CZ     CE1    CD1     120.000    3.000
 TYC      HE1    CE1    CD1     120.000    3.000
 TYC      CE1    CD1    HD1     120.000    3.000
 TYC      CE1    CD1    CG      120.000    3.000
 TYC      HD1    CD1    CG      120.000    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
 TYC      CONST_1  O      C      NXT    HT21       0.000    0.000   0
 TYC      var_1    O      C      CA     CB        90.047   20.000   3
 TYC      var_2    C      CA     N      H0        60.053   20.000   1
 TYC      var_3    C      CA     CB     CG      -179.999   20.000   3
 TYC      var_4    CA     CB     CG     CD2      -90.299   20.000   2
 TYC      CONST_2  CB     CG     CD1    CE1      180.000    0.000   0
 TYC      CONST_3  CB     CG     CD2    CE2      180.000    0.000   0
 TYC      CONST_4  CG     CD2    CE2    CZ         0.000    0.000   0
 TYC      CONST_5  CD2    CE2    CZ     CE1        0.000    0.000   0
 TYC      var_5    CE2    CZ     OH     HH       -90.053   20.000   1
 TYC      CONST_6  CE2    CZ     CE1    CD1        0.000    0.000   0
 TYC      CONST_7  CZ     CE1    CD1    CG         0.000    0.000   0
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
 TYC      chir_01  CA     N      C      CB        positiv
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
 TYC      plan-1    N         0.020
 TYC      plan-1    CA        0.020
 TYC      plan-1    H0        0.020
 TYC      plan-1    H         0.020
 TYC      plan-2    C         0.020
 TYC      plan-2    CA        0.020
 TYC      plan-2    O         0.020
 TYC      plan-2    NXT       0.020
 TYC      plan-2    HT22      0.020
 TYC      plan-2    HT21      0.020
 TYC      plan-3    CG        0.020
 TYC      plan-3    CB        0.020
 TYC      plan-3    CD1       0.020
 TYC      plan-3    CD2       0.020
 TYC      plan-3    CE1       0.020
 TYC      plan-3    CE2       0.020
 TYC      plan-3    CZ        0.020
 TYC      plan-3    HD1       0.020
 TYC      plan-3    HD2       0.020
 TYC      plan-3    HE1       0.020
 TYC      plan-3    HE2       0.020
 TYC      plan-3    OH        0.020
 TYC      plan-4    NXT       0.020
 TYC      plan-4    C         0.020
 TYC      plan-4    HT21      0.020
 TYC      plan-4    HT22      0.020
# ------------------------------------------------------
