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
NNH      NNH 'NOR-N-OMEGA-HYDROXY-L-ARGININE      ' peptide            23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NNH
#
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
 NNH           N      N    NH2       0.000      0.000    0.000    0.000
 NNH           HN1    H    H         0.000      0.792   -0.465    0.429
 NNH           HN2    H    H         0.000     -0.047    0.071   -1.010
 NNH           CA     C    CH1       0.000     -1.069    0.565    0.834
 NNH           HA     H    H         0.000     -1.084    1.658    0.719
 NNH           CB     C    CH2       0.000     -2.415   -0.011    0.397
 NNH           HB2    H    H         0.000     -3.209    0.409    1.019
 NNH           HB3    H    H         0.000     -2.400   -1.097    0.514
 NNH           CG     C    CH2       0.000     -2.672    0.342   -1.068
 NNH           HG2    H    H         0.000     -1.877   -0.079   -1.687
 NNH           HG3    H    H         0.000     -2.685    1.428   -1.182
 NNH           ND     N    NH1       0.000     -3.962   -0.210   -1.486
 NNH           HND    H    H         0.000     -4.525   -0.732   -0.829
 NNH           CE     C    C         0.000     -4.408   -0.020   -2.772
 NNH           NH2    N    N         0.000     -3.684    0.654   -3.619
 NNH           HNH2   H    H         0.000     -3.984    0.794   -4.522
 NNH           NH1    N    NH1       0.000     -5.620   -0.538   -3.164
 NNH           HNH1   H    H         0.000     -6.182   -1.060   -2.507
 NNH           OH1    O    OH1       0.000     -6.079   -0.341   -4.489
 NNH           HO1    H    H         0.000     -6.934   -0.705   -4.773
 NNH           C      C    C         0.000     -0.815    0.217    2.278
 NNH           O      O    OC       -0.500     -0.218   -0.843    2.570
 NNH           OXT    O    OC       -0.500     -1.202    0.988    3.184
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
 NNH      N      n/a    CA     START
 NNH      HN1    N      .      .
 NNH      HN2    N      .      .
 NNH      CA     N      C      .
 NNH      HA     CA     .      .
 NNH      CB     CA     CG     .
 NNH      HB2    CB     .      .
 NNH      HB3    CB     .      .
 NNH      CG     CB     ND     .
 NNH      HG2    CG     .      .
 NNH      HG3    CG     .      .
 NNH      ND     CG     CE     .
 NNH      HND    ND     .      .
 NNH      CE     ND     NH1    .
 NNH      NH2    CE     HNH2   .
 NNH      HNH2   NH2    .      .
 NNH      NH1    CE     OH1    .
 NNH      HNH1   NH1    .      .
 NNH      OH1    NH1    HO1    .
 NNH      HO1    OH1    .      .
 NNH      C      CA     .      END
 NNH      O      C      .      .
 NNH      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
 NNH      CA     N         single      1.450    0.020
 NNH      C      CA        single      1.500    0.020
 NNH      CB     CA        single      1.524    0.020
 NNH      HA     CA        single      1.099    0.020
 NNH      O      C         deloc       1.250    0.020
 NNH      OXT    C         deloc       1.250    0.020
 NNH      CG     CB        single      1.524    0.020
 NNH      HB2    CB        single      1.092    0.020
 NNH      HB3    CB        single      1.092    0.020
 NNH      ND     CG        single      1.450    0.020
 NNH      HG2    CG        single      1.092    0.020
 NNH      HG3    CG        single      1.092    0.020
 NNH      CE     ND        single      1.330    0.020
 NNH      NH1    CE        single      1.330    0.020
 NNH      NH2    CE        double      1.260    0.020
 NNH      OH1    NH1       single      1.392    0.020
 NNH      HO1    OH1       single      0.967    0.020
 NNH      HN1    N         single      1.010    0.020
 NNH      HN2    N         single      1.010    0.020
 NNH      HND    ND        single      1.010    0.020
 NNH      HNH1   NH1       single      1.010    0.020
 NNH      HNH2   NH2       single      0.954    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
 NNH      HN1    N      HN2     120.000    3.000
 NNH      HN1    N      CA      120.000    3.000
 NNH      HN2    N      CA      120.000    3.000
 NNH      N      CA     HA      109.470    3.000
 NNH      N      CA     CB      109.470    3.000
 NNH      N      CA     C       109.470    3.000
 NNH      HA     CA     CB      108.340    3.000
 NNH      HA     CA     C       108.810    3.000
 NNH      CB     CA     C       109.470    3.000
 NNH      CA     CB     HB2     109.470    3.000
 NNH      CA     CB     HB3     109.470    3.000
 NNH      CA     CB     CG      111.000    3.000
 NNH      HB2    CB     HB3     107.900    3.000
 NNH      HB2    CB     CG      109.470    3.000
 NNH      HB3    CB     CG      109.470    3.000
 NNH      CB     CG     HG2     109.470    3.000
 NNH      CB     CG     HG3     109.470    3.000
 NNH      CB     CG     ND      112.000    3.000
 NNH      HG2    CG     HG3     107.900    3.000
 NNH      HG2    CG     ND      109.470    3.000
 NNH      HG3    CG     ND      109.470    3.000
 NNH      CG     ND     HND     118.500    3.000
 NNH      CG     ND     CE      121.500    3.000
 NNH      HND    ND     CE      120.000    3.000
 NNH      ND     CE     NH2     120.000    3.000
 NNH      ND     CE     NH1     120.000    3.000
 NNH      NH2    CE     NH1     120.000    3.000
 NNH      CE     NH2    HNH2    120.000    3.000
 NNH      CE     NH1    HNH1    120.000    3.000
 NNH      CE     NH1    OH1     120.000    3.000
 NNH      HNH1   NH1    OH1     120.200    3.000
 NNH      NH1    OH1    HO1     120.000    3.000
 NNH      CA     C      O       118.500    3.000
 NNH      CA     C      OXT     118.500    3.000
 NNH      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
 NNH      var_1    HN2    N      CA     C        175.000   20.000   1
 NNH      var_2    N      CA     CB     CG       -59.957   20.000   3
 NNH      var_3    CA     CB     CG     ND      -179.980   20.000   3
 NNH      var_4    CB     CG     ND     CE      -179.940   20.000   3
 NNH      CONST_1  CG     ND     CE     NH1      180.000    0.000   0
 NNH      CONST_2  ND     CE     NH2    HNH2     180.000    0.000   0
 NNH      CONST_3  ND     CE     NH1    OH1      180.000    0.000   0
 NNH      var_5    CE     NH1    OH1    HO1      179.981   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
 NNH      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
 NNH      plan-1    N         0.020
 NNH      plan-1    CA        0.020
 NNH      plan-1    HN1       0.020
 NNH      plan-1    HN2       0.020
 NNH      plan-2    C         0.020
 NNH      plan-2    CA        0.020
 NNH      plan-2    O         0.020
 NNH      plan-2    OXT       0.020
 NNH      plan-3    ND        0.020
 NNH      plan-3    CG        0.020
 NNH      plan-3    CE        0.020
 NNH      plan-3    HND       0.020
 NNH      plan-4    CE        0.020
 NNH      plan-4    ND        0.020
 NNH      plan-4    NH1       0.020
 NNH      plan-4    NH2       0.020
 NNH      plan-4    HNH2      0.020
 NNH      plan-4    HND       0.020
 NNH      plan-4    HNH1      0.020
 NNH      plan-5    NH1       0.020
 NNH      plan-5    CE        0.020
 NNH      plan-5    OH1       0.020
 NNH      plan-5    HNH1      0.020
# ------------------------------------------------------
