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
NMM      NMM '(2S)-2-amino-5-[(N-methylcarbamimido' peptide            28  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NMM
#
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
 NMM           N      N    NH2       0.000      0.000    0.000    0.000
 NMM           HN1    H    H         0.000      0.834   -0.431   -0.383
 NMM           HN2    H    H         0.000     -0.111    1.006   -0.059
 NMM           CA     C    CH1       0.000     -1.037   -0.825    0.634
 NMM           HA     H    H         0.000     -1.102   -0.575    1.702
 NMM           CB     C    CH2       0.000     -2.385   -0.552   -0.036
 NMM           HB3    H    H         0.000     -3.138   -1.229    0.374
 NMM           HB2    H    H         0.000     -2.296   -0.717   -1.112
 NMM           CG     C    CH2       0.000     -2.802    0.896    0.226
 NMM           HG3    H    H         0.000     -2.047    1.571   -0.184
 NMM           HG2    H    H         0.000     -2.889    1.060    1.302
 NMM           CD     C    CH2       0.000     -4.150    1.169   -0.444
 NMM           HD3    H    H         0.000     -4.903    0.492   -0.034
 NMM           HD2    H    H         0.000     -4.062    1.003   -1.520
 NMM           NE     N    NH1       0.000     -4.550    2.556   -0.192
 NMM           HNE    H    H         0.000     -3.954    3.162    0.353
 NMM           CZ     C    C         0.000     -5.735    3.033   -0.699
 NMM           NH1    N    N         0.000     -6.504    2.251   -1.404
 NMM           HNH1   H    H         0.000     -7.336    2.572   -1.765
 NMM           NH2    N    NH1       0.000     -6.110    4.335   -0.463
 NMM           HNH2   H    H         0.000     -5.514    4.940    0.083
 NMM           CAA    C    CH3       0.000     -7.372    4.843   -1.004
 NMM           HAA3   H    H         0.000     -8.180    4.274   -0.619
 NMM           HAA2   H    H         0.000     -7.496    5.859   -0.725
 NMM           HAA1   H    H         0.000     -7.363    4.769   -2.061
 NMM           C      C    C         0.000     -0.685   -2.282    0.480
 NMM           O      O    OC       -0.500      0.121   -2.640   -0.407
 NMM           OXT    O    OC       -0.500     -1.199   -3.133    1.239
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
 NMM      N      n/a    CA     START
 NMM      HN1    N      .      .
 NMM      HN2    N      .      .
 NMM      CA     N      C      .
 NMM      HA     CA     .      .
 NMM      CB     CA     CG     .
 NMM      HB3    CB     .      .
 NMM      HB2    CB     .      .
 NMM      CG     CB     CD     .
 NMM      HG3    CG     .      .
 NMM      HG2    CG     .      .
 NMM      CD     CG     NE     .
 NMM      HD3    CD     .      .
 NMM      HD2    CD     .      .
 NMM      NE     CD     CZ     .
 NMM      HNE    NE     .      .
 NMM      CZ     NE     NH2    .
 NMM      NH1    CZ     HNH1   .
 NMM      HNH1   NH1    .      .
 NMM      NH2    CZ     CAA    .
 NMM      HNH2   NH2    .      .
 NMM      CAA    NH2    HAA1   .
 NMM      HAA3   CAA    .      .
 NMM      HAA2   CAA    .      .
 NMM      HAA1   CAA    .      .
 NMM      C      CA     .      END
 NMM      O      C      .      .
 NMM      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
 NMM      CAA    NH2       single      1.450    0.020
 NMM      HAA1   CAA       single      1.059    0.020
 NMM      HAA2   CAA       single      1.059    0.020
 NMM      HAA3   CAA       single      1.059    0.020
 NMM      NH2    CZ        single      1.330    0.020
 NMM      NH1    CZ        double      1.260    0.020
 NMM      CZ     NE        single      1.330    0.020
 NMM      NE     CD        single      1.450    0.020
 NMM      CD     CG        single      1.524    0.020
 NMM      HD3    CD        single      1.092    0.020
 NMM      HD2    CD        single      1.092    0.020
 NMM      CG     CB        single      1.524    0.020
 NMM      HG3    CG        single      1.092    0.020
 NMM      HG2    CG        single      1.092    0.020
 NMM      CB     CA        single      1.524    0.020
 NMM      HB3    CB        single      1.092    0.020
 NMM      HB2    CB        single      1.092    0.020
 NMM      C      CA        single      1.500    0.020
 NMM      CA     N         single      1.450    0.020
 NMM      HA     CA        single      1.099    0.020
 NMM      O      C         deloc       1.250    0.020
 NMM      OXT    C         deloc       1.250    0.020
 NMM      HNH2   NH2       single      1.010    0.020
 NMM      HNH1   NH1       single      0.954    0.020
 NMM      HNE    NE        single      1.010    0.020
 NMM      HN1    N         single      1.010    0.020
 NMM      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
 NMM      HN1    N      HN2     120.000    3.000
 NMM      HN1    N      CA      120.000    3.000
 NMM      HN2    N      CA      120.000    3.000
 NMM      N      CA     HA      109.470    3.000
 NMM      N      CA     CB      109.470    3.000
 NMM      N      CA     C       109.470    3.000
 NMM      HA     CA     CB      108.340    3.000
 NMM      HA     CA     C       108.810    3.000
 NMM      CB     CA     C       109.470    3.000
 NMM      CA     CB     HB3     109.470    3.000
 NMM      CA     CB     HB2     109.470    3.000
 NMM      CA     CB     CG      111.000    3.000
 NMM      HB3    CB     HB2     107.900    3.000
 NMM      HB3    CB     CG      109.470    3.000
 NMM      HB2    CB     CG      109.470    3.000
 NMM      CB     CG     HG3     109.470    3.000
 NMM      CB     CG     HG2     109.470    3.000
 NMM      CB     CG     CD      111.000    3.000
 NMM      HG3    CG     HG2     107.900    3.000
 NMM      HG3    CG     CD      109.470    3.000
 NMM      HG2    CG     CD      109.470    3.000
 NMM      CG     CD     HD3     109.470    3.000
 NMM      CG     CD     HD2     109.470    3.000
 NMM      CG     CD     NE      112.000    3.000
 NMM      HD3    CD     HD2     107.900    3.000
 NMM      HD3    CD     NE      109.470    3.000
 NMM      HD2    CD     NE      109.470    3.000
 NMM      CD     NE     HNE     118.500    3.000
 NMM      CD     NE     CZ      121.500    3.000
 NMM      HNE    NE     CZ      120.000    3.000
 NMM      NE     CZ     NH1     120.000    3.000
 NMM      NE     CZ     NH2     120.000    3.000
 NMM      NH1    CZ     NH2     120.000    3.000
 NMM      CZ     NH1    HNH1    120.000    3.000
 NMM      CZ     NH2    HNH2    120.000    3.000
 NMM      CZ     NH2    CAA     121.500    3.000
 NMM      HNH2   NH2    CAA     118.500    3.000
 NMM      NH2    CAA    HAA3    109.470    3.000
 NMM      NH2    CAA    HAA2    109.470    3.000
 NMM      NH2    CAA    HAA1    109.470    3.000
 NMM      HAA3   CAA    HAA2    109.470    3.000
 NMM      HAA3   CAA    HAA1    109.470    3.000
 NMM      HAA2   CAA    HAA1    109.470    3.000
 NMM      CA     C      O       118.500    3.000
 NMM      CA     C      OXT     118.500    3.000
 NMM      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
 NMM      var_1    HN2    N      CA     C        175.000   20.000   1
 NMM      var_2    N      CA     CB     CG       -64.933   20.000   3
 NMM      var_3    CA     CB     CG     CD      -179.979   20.000   3
 NMM      var_4    CB     CG     CD     NE       179.989   20.000   3
 NMM      var_5    CG     CD     NE     CZ      -179.975   20.000   3
 NMM      CONST_1  CD     NE     CZ     NH2      180.000    0.000   0
 NMM      CONST_2  NE     CZ     NH1    HNH1     180.000    0.000   0
 NMM      CONST_3  NE     CZ     NH2    CAA      180.000    0.000   0
 NMM      var_6    CZ     NH2    CAA    HAA1     -59.977   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
 NMM      chir_01  CA     CB     C      N         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
 NMM      plan-1    NH2       0.020
 NMM      plan-1    CAA       0.020
 NMM      plan-1    CZ        0.020
 NMM      plan-1    HNH2      0.020
 NMM      plan-2    CZ        0.020
 NMM      plan-2    NH2       0.020
 NMM      plan-2    NH1       0.020
 NMM      plan-2    NE        0.020
 NMM      plan-2    HNH1      0.020
 NMM      plan-2    HNH2      0.020
 NMM      plan-2    HNE       0.020
 NMM      plan-3    NE        0.020
 NMM      plan-3    CZ        0.020
 NMM      plan-3    CD        0.020
 NMM      plan-3    HNE       0.020
 NMM      plan-4    C         0.020
 NMM      plan-4    CA        0.020
 NMM      plan-4    O         0.020
 NMM      plan-4    OXT       0.020
 NMM      plan-5    N         0.020
 NMM      plan-5    CA        0.020
 NMM      plan-5    HN1       0.020
 NMM      plan-5    HN2       0.020
# ------------------------------------------------------
