$ Aqua Version 3.2 DATA: Atom name definitions XPLOR
$ FILE: AtomLIB CREATED: Wed Jan  3 15:45:52 CST 2001
$ REMARK: 
$ REMARK: Authors: Doreleijers JF and Rullmann JAC
$ REMARK: 
$ REMARK: AtomLIB-xplor is an exact copy/link of AtomLIB-pdbx
$ REMARK: 
$ REMARK: AQUA names based on:
$ REMARK: Markley JL, Bax A, Arata Y, Hilbers CW, Kaptein R, Sykes BD,
$ REMARK: Wright PE & Wthrich K.
$ REMARK: Recommendations for the presentation of NMR structures of proteins
$ REMARK: and nucleic acids. (1998) Pure & Appl. Chem. 70, 117-142.
$ REMARK: 
$ REMARK: PDB nomenclature taken from consensus of all 
$ REMARK: (at the time being 1258) PDB entries from NMR origin.
$ REMARK: 
$ REMARK: XPLOR nomenclature is based on the standard topology files: 
$ REMARK: and topallhdg.pro and topallhdg.dna.
$ REMARK: topallhdg.dna does not contain chirality for H5'/H5", O1P/O2P.
$ REMARK: 
$ ATOM_COUNT: 677
$ BEGIN_DATA:
def ALA  * HT1   H1   
def ARG  * HT1   H1   
def ASN  * HT1   H1   
def ASP  * HT1   H1   
def CYS  * HT1   H1   
def GLN  * HT1   H1   
def GLU  * HT1   H1   
def GLY  * HT1   H1   
def HIS  * HT1   H1   
def ILE  * HT1   H1   
def LEU  * HT1   H1   
def LYS  * HT1   H1   
def MET  * HT1   H1   
def PHE  * HT1   H1   
def PRO  * HT1   H1   
def SER  * HT1   H1   
def THR  * HT1   H1   
def TRP  * HT1   H1   
def TYR  * HT1   H1   
def VAL  * HT1   H1   
def ALA  * HT2   H2   
def ARG  * HT2   H2   
def ASN  * HT2   H2   
def ASP  * HT2   H2   
def CYS  * HT2   H2   
def GLN  * HT2   H2   
def GLU  * HT2   H2   
def GLY  * HT2   H2   
def HIS  * HT2   H2   
def ILE  * HT2   H2   
def LEU  * HT2   H2   
def LYS  * HT2   H2   
def MET  * HT2   H2   
def PHE  * HT2   H2   
def PRO  * HT2   H2   
def SER  * HT2   H2   
def THR  * HT2   H2   
def TRP  * HT2   H2   
def TYR  * HT2   H2   
def VAL  * HT2   H2   
def ALA  * HT3   H3   
def ARG  * HT3   H3   
def ASN  * HT3   H3   
def ASP  * HT3   H3   
def CYS  * HT3   H3   
def GLN  * HT3   H3   
def GLU  * HT3   H3   
def GLY  * HT3   H3   
def HIS  * HT3   H3   
def ILE  * HT3   H3   
def LEU  * HT3   H3   
def LYS  * HT3   H3   
def MET  * HT3   H3   
def PHE  * HT3   H3   
def PRO  * HT3   H3   
def SER  * HT3   H3   
def THR  * HT3   H3   
def TRP  * HT3   H3   
def TYR  * HT3   H3   
def VAL  * HT3   H3   
def ALA  * OT1   O'   
def ARG  * OT1   O'   
def ASN  * OT1   O'   
def ASP  * OT1   O'   
def CYS  * OT1   O'   
def GLN  * OT1   O'   
def GLU  * OT1   O'   
def GLY  * OT1   O'   
def HIS  * OT1   O'   
def ILE  * OT1   O'   
def LEU  * OT1   O'   
def LYS  * OT1   O'   
def MET  * OT1   O'   
def PHE  * OT1   O'   
def PRO  * OT1   O'   
def SER  * OT1   O'   
def THR  * OT1   O'   
def TRP  * OT1   O'   
def TYR  * OT1   O'   
def VAL  * OT1   O'   
def ALA  * OT2   O''   
def ARG  * OT2   O''   
def ASN  * OT2   O''   
def ASP  * OT2   O''   
def CYS  * OT2   O''   
def GLN  * OT2   O''   
def GLU  * OT2   O''   
def GLY  * OT2   O''   
def HIS  * OT2   O''   
def ILE  * OT2   O''   
def LEU  * OT2   O''   
def LYS  * OT2   O''   
def MET  * OT2   O''   
def PHE  * OT2   O''   
def PRO  * OT2   O''   
def SER  * OT2   O''   
def THR  * OT2   O''   
def TRP  * OT2   O''   
def TYR  * OT2   O''   
def VAL  * OT2   O''   
def ACE  * CA    CA   
def ACE  * HA3   HA3  
def ACE  * HA1   HA1  
def ACE  * HA2   HA2  
def ACE  * C     C    
def ACE  * O     O    
def ALA  * N     N    
def ALA  * HN    H    
def ALA  * CA    CA   
def ALA  * HA    HA   
def ALA  * C     C    
def ALA  * O     O    
def ALA  * CB    CB   
def ALA  * HB1   HB1  
def ALA  * HB2   HB2  
def ALA  * HB3   HB3  
def ALA  * HB#   MB   
def ARG  * N     N    
def ARG  * HN    H    
def ARG  * CA    CA   
def ARG  * HA    HA   
def ARG  * C     C    
def ARG  * O     O    
def ARG  * CB    CB   
def ARG  * HB2   HB2  
def ARG  * HB1   HB3  
def ARG  * CG    CG   
def ARG  * HG2   HG2  
def ARG  * HG1   HG3  
def ARG  * CD    CD   
def ARG  * HD2   HD2  
def ARG  * HD1   HD3  
def ARG  * NE    NE   
def ARG  * HE    HE   
def ARG  * CZ    CZ   
def ARG  * NH1   NH1  
def ARG  * HH11  HH11 
def ARG  * HH12  HH12 
def ARG  * NH2   NH2  
def ARG  * HH21  HH21 
def ARG  * HH22  HH22 
def ARG  * HB#   QB   
def ARG  * HG#   QG   
def ARG  * HD#   QD   
def ARG  * HH1#  QH1  
def ARG  * HH2#  QH2  
def ARG  * HH#   QH   
def ASN  * N     N    
def ASN  * HN    H    
def ASN  * CA    CA   
def ASN  * HA    HA   
def ASN  * C     C    
def ASN  * O     O    
def ASN  * CB    CB   
def ASN  * HB2   HB2  
def ASN  * HB1   HB3  
def ASN  * CG    CG   
def ASN  * OD1   OD1  
def ASN  * ND2   ND2  
def ASN  * HD21  HD21 
def ASN  * HD22  HD22 
def ASN  * HB#   QB   
def ASN  * HD2#  QD   
def ASP  * N     N    
def ASP  * HN    H    
def ASP  * CA    CA   
def ASP  * HA    HA   
def ASP  * C     C    
def ASP  * O     O    
def ASP  * CB    CB   
def ASP  * HB2   HB2  
def ASP  * HB1   HB3  
def ASP  * CG    CG   
def ASP  * OD1   OD1  
def ASP  * OD2   OD2  
def ASP  * HD2   HD2  
def ASP  * HB#   QB   
def CYS  * N     N    
def CYS  * CA    CA   
def CYS  * HN    H    
def CYS  * HA    HA   
def CYS  * C     C    
def CYS  * O     O    
def CYS  * CB    CB   
def CYS  * HB2   HB2  
def CYS  * HB1   HB3  
def CYS  * SG    SG   
def CYS  * HG    HG   
def CYS  * HB#   QB   
def GLN  * N     N    
def GLN  * HN    H    
def GLN  * CA    CA   
def GLN  * HA    HA   
def GLN  * C     C    
def GLN  * O     O    
def GLN  * CB    CB   
def GLN  * HB2   HB2  
def GLN  * HB1   HB3  
def GLN  * CG    CG   
def GLN  * HG2   HG2  
def GLN  * HG1   HG3  
def GLN  * CD    CD   
def GLN  * OE1   OE1  
def GLN  * NE2   NE2  
def GLN  * HE21  HE21 
def GLN  * HE22  HE22 
def GLN  * HB#   QB   
def GLN  * HG#   QG   
def GLN  * HE2#  QE   
def GLU  * N     N    
def GLU  * HN    H    
def GLU  * CA    CA   
def GLU  * HA    HA   
def GLU  * C     C    
def GLU  * O     O    
def GLU  * CB    CB   
def GLU  * HB2   HB2  
def GLU  * HB1   HB3  
def GLU  * CG    CG   
def GLU  * HG2   HG2  
def GLU  * HG1   HG3  
def GLU  * CD    CD   
def GLU  * OE1   OE1  
def GLU  * OE2   OE2  
def GLU  * HE2   HE2  
def GLU  * HB#   QB   
def GLU  * HG#   QG   
def GLY  * N     N    
def GLY  * HN    H    
def GLY  * CA    CA   
def GLY  * HA2   HA2  
def GLY  * HA1   HA3  
def GLY  * C     C    
def GLY  * O     O    
def GLY  * HA#   QA   
def HIS  * N     N    
def HIS  * HN    H    
def HIS  * CA    CA   
def HIS  * HA    HA   
def HIS  * C     C    
def HIS  * O     O    
def HIS  * CB    CB   
def HIS  * HB2   HB2  
def HIS  * HB1   HB3  
def HIS  * CG    CG   
def HIS  * ND1   ND1  
def HIS  * HD1   HD1  
def HIS  * CD2   CD2  
def HIS  * HD2   HD2  
def HIS  * CE1   CE1  
def HIS  * HE1   HE1  
def HIS  * NE2   NE2  
def HIS  * HE2   HE2  
def HIS  * HB#   QB   
def ILE  * N     N    
def ILE  * HN    H    
def ILE  * CA    CA   
def ILE  * HA    HA   
def ILE  * C     C    
def ILE  * O     O    
def ILE  * CB    CB   
def ILE  * HB    HB   
def ILE  * CG1   CG1  
def ILE  * HG12  HG12 
def ILE  * HG11  HG13 
def ILE  * CG2   CG2  
def ILE  * HG21  HG21 
def ILE  * HG22  HG22 
def ILE  * HG23  HG23 
def ILE  * CD1   CD1  
def ILE  * HD11  HD11 
def ILE  * HD12  HD12 
def ILE  * HD13  HD13 
def ILE  * HG1#  QG   
def ILE  * HG2#  MG   
def ILE  * HD1#  MD   
def LEU  * N     N    
def LEU  * HN    H    
def LEU  * CA    CA   
def LEU  * HA    HA   
def LEU  * C     C    
def LEU  * O     O    
def LEU  * CB    CB   
def LEU  * HB2   HB2  
def LEU  * HB1   HB3  
def LEU  * CG    CG   
def LEU  * HG    HG   
def LEU  * CD1   CD1  
def LEU  * HD11  HD11 
def LEU  * HD12  HD12 
def LEU  * HD13  HD13 
def LEU  * CD2   CD2  
def LEU  * HD21  HD21 
def LEU  * HD22  HD22 
def LEU  * HD23  HD23 
def LEU  * HD1#  MD1  
def LEU  * HD2#  MD2  
def LEU  * HD#   QD   
def LEU  * HB#   QB   
def LYS  * N     N    
def LYS  * HN    H    
def LYS  * CA    CA   
def LYS  * HA    HA   
def LYS  * C     C    
def LYS  * O     O    
def LYS  * CB    CB   
def LYS  * HB2   HB2  
def LYS  * HB1   HB3  
def LYS  * CG    CG   
def LYS  * HG2   HG2  
def LYS  * HG1   HG3  
def LYS  * CD    CD   
def LYS  * HD2   HD2  
def LYS  * HD1   HD3  
def LYS  * CE    CE   
def LYS  * HE2   HE2  
def LYS  * HE1   HE3  
def LYS  * NZ    NZ   
def LYS  * HZ1   HZ1  
def LYS  * HZ2   HZ2  
def LYS  * HZ3   HZ3  
def LYS  * HB#   QB   
def LYS  * HG#   QG   
def LYS  * HD#   QD   
def LYS  * HE#   QE   
def LYS  * HZ#   QZ   
def MET  * N     N    
def MET  * HN    H    
def MET  * CA    CA   
def MET  * HA    HA   
def MET  * C     C    
def MET  * O     O    
def MET  * CB    CB   
def MET  * HB2   HB2  
def MET  * HB1   HB3  
def MET  * CG    CG   
def MET  * HG2   HG2  
def MET  * HG1   HG3  
def MET  * SD    SD   
def MET  * CE    CE   
def MET  * HE1   HE1  
def MET  * HE2   HE2  
def MET  * HE3   HE3  
def MET  * HB#   QB   
def MET  * HG#   QG   
def MET  * HE#   ME   
def PHE  * N     N    
def PHE  * HN    H    
def PHE  * CA    CA   
def PHE  * HA    HA   
def PHE  * C     C    
def PHE  * O     O    
def PHE  * CB    CB   
def PHE  * HB2   HB2  
def PHE  * HB1   HB3  
def PHE  * CG    CG   
def PHE  * CD1   CD1  
def PHE  * HD1   HD1  
def PHE  * CD2   CD2  
def PHE  * HD2   HD2  
def PHE  * CE1   CE1  
def PHE  * HE1   HE1  
def PHE  * CE2   CE2  
def PHE  * HE2   HE2  
def PHE  * CZ    CZ   
def PHE  * HZ    HZ   
def PHE  * HB#   QB   
def PHE  * HD#   QD   
def PHE  * HE#   QE   
def PRO  * N     N    
def PRO  * CA    CA   
def PRO  * HA    HA   
def PRO  * CD    CD   
def PRO  * HD2   HD2  
def PRO  * HD1   HD3  
def PRO  * C     C    
def PRO  * O     O    
def PRO  * CB    CB   
def PRO  * HB2   HB2  
def PRO  * HB1   HB3  
def PRO  * CG    CG   
def PRO  * HG2   HG2  
def PRO  * HG1   HG3  
def PRO  * HB#   QB   
def PRO  * HG#   QG   
def PRO  * HD#   QD   
def SER  * N     N    
def SER  * HN    H    
def SER  * CA    CA   
def SER  * HA    HA   
def SER  * C     C    
def SER  * O     O    
def SER  * CB    CB   
def SER  * HB2   HB2  
def SER  * HB1   HB3  
def SER  * OG    OG   
def SER  * HG    HG   
def SER  * HB#   QB   
def THR  * N     N    
def THR  * CA    CA   
def THR  * HN    H    
def THR  * HA    HA   
def THR  * C     C    
def THR  * O     O    
def THR  * CB    CB   
def THR  * OG1   OG1  
def THR  * HB    HB   
def THR  * HG1   HG1  
def THR  * CG2   CG2  
def THR  * HG21  HG21 
def THR  * HG22  HG22 
def THR  * HG23  HG23 
def THR  * HG2#  MG   
def TRP  * N     N    
def TRP  * CA    CA   
def TRP  * HN    H    
def TRP  * HA    HA   
def TRP  * C     C    
def TRP  * O     O    
def TRP  * CB    CB   
def TRP  * HB2   HB2  
def TRP  * HB1   HB3  
def TRP  * CG    CG   
def TRP  * CD1   CD1  
def TRP  * NE1   NE1  
def TRP  * CE2   CE2  
def TRP  * CD2   CD2  
def TRP  * HD1   HD1  
def TRP  * HE1   HE1  
def TRP  * CE3   CE3  
def TRP  * HE3   HE3  
def TRP  * CZ3   CZ3  
def TRP  * HZ3   HZ3  
def TRP  * CH2   CH2  
def TRP  * HH2   HH2  
def TRP  * CZ2   CZ2  
def TRP  * HZ2   HZ2  
def TRP  * HB#   QB   
def TYR  * N     N    
def TYR  * CA    CA   
def TYR  * HN    H    
def TYR  * HA    HA   
def TYR  * C     C    
def TYR  * O     O    
def TYR  * CB    CB   
def TYR  * HB2   HB2  
def TYR  * HB1   HB3  
def TYR  * CG    CG   
def TYR  * CD1   CD1  
def TYR  * HD1   HD1  
def TYR  * CE1   CE1  
def TYR  * HE1   HE1  
def TYR  * CZ    CZ   
def TYR  * OH    OH   
def TYR  * HH    HH   
def TYR  * CE2   CE2  
def TYR  * HE2   HE2  
def TYR  * CD2   CD2  
def TYR  * HD2   HD2  
def TYR  * HB#   QB   
def TYR  * HD#   QD   
def TYR  * HE#   QE   
def VAL  * N     N    
def VAL  * HN    H    
def VAL  * CA    CA   
def VAL  * HA    HA   
def VAL  * C     C    
def VAL  * O     O    
def VAL  * CB    CB   
def VAL  * HB    HB   
def VAL  * CG1   CG1  
def VAL  * HG11  HG11 
def VAL  * HG12  HG12 
def VAL  * HG13  HG13 
def VAL  * CG2   CG2  
def VAL  * HG21  HG21 
def VAL  * HG22  HG22 
def VAL  * HG23  HG23 
def VAL  * HG1#  MG1  
def VAL  * HG2#  MG2  
def VAL  * HG#   QG   
def A    * H5T   HO5' 
def A    * H3T   HO3' 
def C    * H5T   HO5' 
def C    * H3T   HO3' 
def G    * H5T   HO5' 
def G    * H3T   HO3' 
def T    * H5T   HO5' 
def T    * H3T   HO3' 
def U    * H5T   HO5' 
def U    * H3T   HO3' 
def A    * P     P    
def A    * O1P   OP1  
def A    * O2P   OP2  
def C    * P     P    
def C    * O1P   OP1  
def C    * O2P   OP2  
def G    * P     P    
def G    * O1P   OP1  
def G    * O2P   OP2  
def T    * P     P    
def T    * O1P   OP1  
def T    * O2P   OP2  
def U    * P     P    
def U    * O1P   OP1  
def U    * O2P   OP2  
def A    * C3'   C3'  
def A    * O2'   O2'  
def A    * O3'   O3'  
def A    * O5'   O5'  
def A    * C5'   C5'  
def A    * C4'   C4'  
def A    * O4'   O4'  
def A    * C1'   C1'  
def A    * C2'   C2'  
def A    * H5'   H5'  
def A    * H5''  H5'' 
def A    * H4'   H4'  
def A    * H3'   H3'  
def A    * H2'   H2'  
def A    * H2''  H2'' 
def A    * H2''  HO2' 
def A    * H1'   H1'  
def A    * H2'*  Q2'  
def A    * H5'*  Q5'  
def C    * C3'   C3'  
def C    * O2'   O2'  
def C    * O3'   O3'  
def C    * O5'   O5'  
def C    * C5'   C5'  
def C    * C4'   C4'  
def C    * O4'   O4'  
def C    * C1'   C1'  
def C    * C2'   C2'  
def C    * H5'   H5'  
def C    * H5''  H5'' 
def C    * H4'   H4'  
def C    * H3'   H3'  
def C    * H2'   H2'  
def C    * H2''  H2'' 
def C    * H2''  HO2' 
def C    * H1'   H1'  
def C    * H2'*  Q2'  
def C    * H5'*  Q5'  
def G    * C3'   C3'  
def G    * O2'   O2'  
def G    * O3'   O3'  
def G    * O5'   O5'  
def G    * C5'   C5'  
def G    * C4'   C4'  
def G    * O4'   O4'  
def G    * C1'   C1'  
def G    * C2'   C2'  
def G    * H5'   H5'  
def G    * H5''  H5'' 
def G    * H4'   H4'  
def G    * H3'   H3'  
def G    * H2'   H2'  
def G    * H2''  H2'' 
def G    * H2''  HO2' 
def G    * H1'   H1'  
def G    * H2'*  Q2'  
def G    * H5'*  Q5'  
def T    * C3'   C3'  
def T    * O2'   O2'  
def T    * O3'   O3'  
def T    * O5'   O5'  
def T    * C5'   C5'  
def T    * C4'   C4'  
def T    * O4'   O4'  
def T    * C1'   C1'  
def T    * C2'   C2'  
def T    * H5'   H5'  
def T    * H5''  H5'' 
def T    * H4'   H4'  
def T    * H3'   H3'  
def T    * H2'   H2'  
def T    * H2''  H2'' 
def T    * H2''  HO2' 
def T    * H1'   H1'  
def T    * H2'*  Q2'  
def T    * H5'*  Q5'  
def U    * C3'   C3'  
def U    * O2'   O2'  
def U    * O3'   O3'  
def U    * O5'   O5'  
def U    * C5'   C5'  
def U    * C4'   C4'  
def U    * O4'   O4'  
def U    * C1'   C1'  
def U    * C2'   C2'  
def U    * H5'   H5'  
def U    * H5''  H5'' 
def U    * H4'   H4'  
def U    * H3'   H3'  
def U    * H2'   H2'  
def U    * H2''  HO2' 
def U    * H1'   H1'  
def U    * H2'*  Q2'  
def U    * H5'*  Q5'  
def A    * N9    N9   
def A    * C8    C8   
def A    * N7    N7   
def A    * C5    C5   
def A    * C6    C6   
def A    * N6    N6   
def A    * N1    N1   
def A    * C2    C2   
def A    * N3    N3   
def A    * C4    C4   
def A    * H8    H8   
def A    * H61   H61  
def A    * H62   H62  
def A    * H6#   Q6   
def A    * H2    H2   
def A    * H1    H1   
def A    * H7    H7   
def A    * H3    H3   
def C    * N1    N1   
def C    * C6    C6   
def C    * C5    C5   
def C    * C4    C4   
def C    * N4    N4   
def C    * N3    N3   
def C    * C2    C2   
def C    * O2    O2   
def C    * H41   H41  
def C    * H42   H42  
def C    * H4#   Q4   
def C    * H5    H5   
def C    * H6    H6   
def C    * H3    H3   
def G    * N9    N9   
def G    * C8    C8   
def G    * N7    N7   
def G    * C5    C5   
def G    * C6    C6   
def G    * O6    O6   
def G    * N1    N1   
def G    * C2    C2   
def G    * N2    N2   
def G    * N3    N3   
def G    * C4    C4   
def G    * H8    H8   
def G    * H21   H21  
def G    * H22   H22  
def G    * H2#   Q2   
def G    * H1    H1   
def G    * H7    H7   
def G    * H3    H3   
def T    * N1    N1   
def T    * C6    C6   
def T    * C5    C5   
def T    * C4    C4   
def T    * O4    O4   
def T    * N3    N3   
def T    * C2    C2   
def T    * O2    O2   
def T    * C5M   C7   
def T    * H51   H71  
def T    * H52   H72  
def T    * H53   H73  
def T    * H5#   M7   
def T    * H6    H6   
def T    * H3    H3   
def U    * N1    N1   
def U    * C6    C6   
def U    * C5    C5   
def U    * C4    C4   
def U    * O4    O4   
def U    * N3    N3   
def U    * C2    C2   
def U    * O2    O2   
def U    * H3    H3   
def U    * H5    H5   
def U    * H6    H6   
def U    * H3    H3   
