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
NAM      NAM 'NAM NAPTHYLAMINOALANINE             ' non-polymer        30  16 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NAM
#
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
 NAM           O      O    O         0.000      0.000    0.000    0.000
 NAM           C      C    C         0.000     -1.093    0.189    0.487
 NAM           NXT    N    NH2       0.000     -1.257    0.123    1.823
 NAM           HNX2   H    H         0.000     -2.169    0.280    2.235
 NAM           HNX1   H    H         0.000     -0.469   -0.085    2.425
 NAM           CA     C    CH1       0.000     -2.270    0.500   -0.401
 NAM           HA     H    H         0.000     -2.981    1.137    0.144
 NAM           N      N    NH2       0.000     -1.804    1.203   -1.604
 NAM           H2     H    H         0.000     -0.835    1.487   -1.687
 NAM           H      H    H         0.000     -2.448    1.407   -2.359
 NAM           CB     C    CH2       0.000     -2.961   -0.803   -0.807
 NAM           HB2    H    H         0.000     -3.307   -1.326    0.087
 NAM           HB3    H    H         0.000     -2.254   -1.437   -1.346
 NAM           CG     C    CR6       0.000     -4.137   -0.493   -1.695
 NAM           CD2    C    CR66      0.000     -5.407   -0.277   -1.135
 NAM           CZ2    C    CR16      0.000     -5.611   -0.333    0.255
 NAM           HZ2    H    H         0.000     -4.782   -0.549    0.918
 NAM           CH2    C    CR16      0.000     -6.854   -0.114    0.762
 NAM           HH2    H    H         0.000     -7.009   -0.160    1.833
 NAM           CP     C    CR16      0.000     -7.932    0.170   -0.075
 NAM           HP     H    H         0.000     -8.911    0.339    0.354
 NAM           CH1    C    CR16      0.000     -7.770    0.239   -1.425
 NAM           HH1    H    H         0.000     -8.616    0.463   -2.064
 NAM           CE2    C    CR66      0.000     -6.502    0.017   -1.985
 NAM           CZ1    C    CR16      0.000     -6.297    0.079   -3.374
 NAM           HZ1    H    H         0.000     -7.125    0.299   -4.037
 NAM           CE1    C    CR16      0.000     -5.054   -0.140   -3.882
 NAM           HE1    H    H         0.000     -4.899   -0.090   -4.952
 NAM           CD1    C    CR16      0.000     -3.977   -0.425   -3.045
 NAM           HD1    H    H         0.000     -2.998   -0.597   -3.475
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
 NAM      O      n/a    C      START
 NAM      C      O      CA     .
 NAM      NXT    C      HNX1   .
 NAM      HNX2   NXT    .      .
 NAM      HNX1   NXT    .      .
 NAM      CA     C      CB     .
 NAM      HA     CA     .      .
 NAM      N      CA     H      .
 NAM      H2     N      .      .
 NAM      H      N      .      .
 NAM      CB     CA     CG     .
 NAM      HB2    CB     .      .
 NAM      HB3    CB     .      .
 NAM      CG     CB     CD2    .
 NAM      CD2    CG     CE2    .
 NAM      CZ2    CD2    CH2    .
 NAM      HZ2    CZ2    .      .
 NAM      CH2    CZ2    CP     .
 NAM      HH2    CH2    .      .
 NAM      CP     CH2    CH1    .
 NAM      HP     CP     .      .
 NAM      CH1    CP     HH1    .
 NAM      HH1    CH1    .      .
 NAM      CE2    CD2    CZ1    .
 NAM      CZ1    CE2    CE1    .
 NAM      HZ1    CZ1    .      .
 NAM      CE1    CZ1    CD1    .
 NAM      HE1    CE1    .      .
 NAM      CD1    CE1    HD1    .
 NAM      HD1    CD1    .      END
 NAM      CG     CD1    .    ADD
 NAM      CE2    CH1    .    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
 NAM      N      CA        single      1.450    0.020
 NAM      H      N         single      1.010    0.020
 NAM      H2     N         single      1.010    0.020
 NAM      CB     CA        single      1.524    0.020
 NAM      CA     C         single      1.500    0.020
 NAM      HA     CA        single      1.099    0.020
 NAM      CG     CB        single      1.511    0.020
 NAM      HB2    CB        single      1.092    0.020
 NAM      HB3    CB        single      1.092    0.020
 NAM      C      O         double      1.220    0.020
 NAM      NXT    C         single      1.332    0.020
 NAM      HNX1   NXT       single      1.010    0.020
 NAM      HNX2   NXT       single      1.010    0.020
 NAM      CG     CD1       double      1.390    0.020
 NAM      CD2    CG        single      1.490    0.020
 NAM      CD1    CE1       single      1.390    0.020
 NAM      HD1    CD1       single      1.083    0.020
 NAM      CE1    CZ1       double      1.390    0.020
 NAM      HE1    CE1       single      1.083    0.020
 NAM      CZ1    CE2       single      1.390    0.020
 NAM      HZ1    CZ1       single      1.083    0.020
 NAM      CE2    CH1       single      1.390    0.020
 NAM      CE2    CD2       double      1.490    0.020
 NAM      CH1    CP        double      1.390    0.020
 NAM      HH1    CH1       single      1.083    0.020
 NAM      CP     CH2       single      1.390    0.020
 NAM      HP     CP        single      1.083    0.020
 NAM      CH2    CZ2       double      1.390    0.020
 NAM      HH2    CH2       single      1.083    0.020
 NAM      CZ2    CD2       single      1.390    0.020
 NAM      HZ2    CZ2       single      1.083    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
 NAM      O      C      NXT     123.000    3.000
 NAM      O      C      CA      120.500    3.000
 NAM      NXT    C      CA      120.000    3.000
 NAM      C      NXT    HNX2    120.000    3.000
 NAM      C      NXT    HNX1    120.000    3.000
 NAM      HNX2   NXT    HNX1    120.000    3.000
 NAM      C      CA     HA      108.810    3.000
 NAM      C      CA     N       109.470    3.000
 NAM      C      CA     CB      109.470    3.000
 NAM      HA     CA     N       109.470    3.000
 NAM      HA     CA     CB      108.340    3.000
 NAM      N      CA     CB      109.470    3.000
 NAM      CA     N      H2      120.000    3.000
 NAM      CA     N      H       120.000    3.000
 NAM      H2     N      H       120.000    3.000
 NAM      CA     CB     HB2     109.470    3.000
 NAM      CA     CB     HB3     109.470    3.000
 NAM      CA     CB     CG      109.470    3.000
 NAM      HB2    CB     HB3     107.900    3.000
 NAM      HB2    CB     CG      109.470    3.000
 NAM      HB3    CB     CG      109.470    3.000
 NAM      CB     CG     CD2     120.000    3.000
 NAM      CB     CG     CD1     120.000    3.000
 NAM      CD2    CG     CD1     120.000    3.000
 NAM      CG     CD2    CZ2     120.000    3.000
 NAM      CG     CD2    CE2     120.000    3.000
 NAM      CZ2    CD2    CE2     120.000    3.000
 NAM      CD2    CZ2    HZ2     120.000    3.000
 NAM      CD2    CZ2    CH2     120.000    3.000
 NAM      HZ2    CZ2    CH2     120.000    3.000
 NAM      CZ2    CH2    HH2     120.000    3.000
 NAM      CZ2    CH2    CP      120.000    3.000
 NAM      HH2    CH2    CP      120.000    3.000
 NAM      CH2    CP     HP      120.000    3.000
 NAM      CH2    CP     CH1     120.000    3.000
 NAM      HP     CP     CH1     120.000    3.000
 NAM      CP     CH1    HH1     120.000    3.000
 NAM      CP     CH1    CE2     120.000    3.000
 NAM      HH1    CH1    CE2     120.000    3.000
 NAM      CD2    CE2    CZ1     120.000    3.000
 NAM      CD2    CE2    CH1     120.000    3.000
 NAM      CZ1    CE2    CH1     120.000    3.000
 NAM      CE2    CZ1    HZ1     120.000    3.000
 NAM      CE2    CZ1    CE1     120.000    3.000
 NAM      HZ1    CZ1    CE1     120.000    3.000
 NAM      CZ1    CE1    HE1     120.000    3.000
 NAM      CZ1    CE1    CD1     120.000    3.000
 NAM      HE1    CE1    CD1     120.000    3.000
 NAM      CE1    CD1    HD1     120.000    3.000
 NAM      CE1    CD1    CG      120.000    3.000
 NAM      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
 NAM      CONST_1  O      C      NXT    HNX1       0.000    0.000   0
 NAM      var_1    O      C      CA     CB        90.033   20.000   3
 NAM      var_2    C      CA     N      H        173.748   20.000   1
 NAM      var_3    C      CA     CB     CG      -179.949   20.000   3
 NAM      var_4    CA     CB     CG     CD2      -90.272   20.000   2
 NAM      CONST_2  CB     CG     CD1    CE1      180.000    0.000   0
 NAM      CONST_3  CB     CG     CD2    CE2      180.000    0.000   0
 NAM      CONST_4  CG     CD2    CZ2    CH2      180.000    0.000   0
 NAM      CONST_5  CD2    CZ2    CH2    CP         0.000    0.000   0
 NAM      CONST_6  CZ2    CH2    CP     CH1        0.000    0.000   0
 NAM      CONST_7  CH2    CP     CH1    CE2        0.000    0.000   0
 NAM      CONST_8  CG     CD2    CE2    CZ1        0.000    0.000   0
 NAM      CONST_9  CD2    CE2    CH1    CP         0.000    0.000   0
 NAM      CONST_10 CD2    CE2    CZ1    CE1        0.000    0.000   0
 NAM      CONST_11 CE2    CZ1    CE1    CD1        0.000    0.000   0
 NAM      CONST_12 CZ1    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
 NAM      chir_01  CA     N      CB     C         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
 NAM      plan-1    N         0.020
 NAM      plan-1    CA        0.020
 NAM      plan-1    H         0.020
 NAM      plan-1    H2        0.020
 NAM      plan-2    C         0.020
 NAM      plan-2    CA        0.020
 NAM      plan-2    O         0.020
 NAM      plan-2    NXT       0.020
 NAM      plan-2    HNX2      0.020
 NAM      plan-2    HNX1      0.020
 NAM      plan-3    NXT       0.020
 NAM      plan-3    C         0.020
 NAM      plan-3    HNX1      0.020
 NAM      plan-3    HNX2      0.020
 NAM      plan-4    CG        0.020
 NAM      plan-4    CB        0.020
 NAM      plan-4    CD1       0.020
 NAM      plan-4    CD2       0.020
 NAM      plan-4    CE1       0.020
 NAM      plan-4    CZ1       0.020
 NAM      plan-4    HD1       0.020
 NAM      plan-4    HE1       0.020
 NAM      plan-4    CE2       0.020
 NAM      plan-4    HZ1       0.020
 NAM      plan-4    CH1       0.020
 NAM      plan-4    CP        0.020
 NAM      plan-4    CH2       0.020
 NAM      plan-4    CZ2       0.020
 NAM      plan-4    HH1       0.020
 NAM      plan-4    HP        0.020
 NAM      plan-4    HH2       0.020
 NAM      plan-4    HZ2       0.020
# ------------------------------------------------------
