$ Aqua Version 3.2 DATA: Stereo atom definitions AQUA format
$ FILE: StereoLIB CREATED: Wed Jan  3 15:45:52 CST 2001
$ REMARK: 
$ REMARK: Authors: Doreleijers JF and Rullmann JAC
$ 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: Note: - QR of rings holds 5 protons unlike Wuethrichs paper
$ REMARK:       - the LYS QZ (but is NH3 group) is weird 
$ REMARK: 	- The pseudoatom type is set according to the following table:
$ REMARK: 
$ REMARK: 	   The number between brackets is the number of atoms within.
$ REMARK: 		0 undefined  (*)
$ REMARK: 		1 CH2 or NH2 (2) 		2 methyl or NH3 (3)
$ REMARK: 		3 double CH2/NH2 (4)		4 double methyl (6)
$ REMARK: 		5 Aromat with 2 H (2) 		6 Aromat with 4 H (4)
$ REMARK: 		7 Aromat with 5 H (5)
$ REMARK: 
$ REMARK: In this file only pseudo's of type 1, 3, 4 and 5 can be used.
$ REMARK: Changes:
$ REMARK: - Removed type 3 stereo atoms because of conflict with assignment check
$ REMARK: - Introduced the nucleic acid stereo atom definitions.
$ REMARK: 2001-07-10 Removed type 6 instance but not type itself as to confer to
$ REMARK: -          IUPAC recommendation and include all ring protons for QR
$ REMARK: 2001-07-11 Introduced type 3 again because they are IUPAC recommended
$ REMARK: 2001-08-02 Introduced instances of type 6 and 7 again because they are 
$ REMARK: -          IUPAC recommended
$ REMARK:
$ REMARK: def ARG   * QH    3 QH1  QH2  
$ PSEUDO_COUNT: 65
$ BEGIN_DATA:
def ARG   * QB    1 HB2   HB3   
def ARG   * QG    1 HG2   HG3   
def ARG   * QD    1 HD2   HD3   
def ARG   * QH1   1 HH11  HH12  
def ARG   * QH2   1 HH21  HH22  
def ARG   * QH    3 QH1   QH2  
def ARG+  * QB    1 HB2   HB3   
def ARG+  * QG    1 HG2   HG3   
def ARG+  * QD    1 HD2   HD3   
def ARG+  * QH1   1 HH11  HH12  
def ARG+  * QH2   1 HH21  HH22  
def ARG+  * QH    3 QH1   QH2  
def ASN   * QB    1 HB2   HB3   
def ASN   * QD    1 HD21  HD22  
def ASP   * QB    1 HB2   HB3   
def ASP-  * QB    1 HB2   HB3   
def CYS   * QB    1 HB2   HB3
def GLN   * QB    1 HB2   HB3   
def GLN   * QE    1 HE21  HE22  
def GLN   * QG    1 HG2   HG3   
def GLU   * QB    1 HB2   HB3   
def GLU   * QG    1 HG2   HG3   
def GLU-  * QB    1 HB2   HB3   
def GLU-  * QG    1 HG2   HG3   
def GLY   * QA    1 HA2   HA3   
def HIS   * QB    1 HB2   HB3   
def HIS+  * QB    1 HB2   HB3   
def ILE   * QG    1 HG12  HG13  
def LEU   * QB    1 HB2   HB3   
def LEU   * QD    4 MD1   MD2  
def LYS   * QB    1 HB2   HB3   
def LYS   * QG    1 HG2   HG3   
def LYS   * QD    1 HD2   HD3   
def LYS   * QE    1 HE2   HE3   
def LYS+  * QB    1 HB2   HB3   
def LYS+  * QG    1 HG2   HG3   
def LYS+  * QD    1 HD2   HD3   
def LYS+  * QE    1 HE2   HE3   
def MET   * QB    1 HB2   HB3   
def MET   * QG    1 HG2   HG3   
def PHE   * QB    1 HB2   HB3   
def PHE   * QD    5 HD1   HD2   
def PHE   * QE    5 HE1   HE2   
def PHE   * QR    7 QD    QE    HZ
def PRO   * QB    1 HB2   HB3   
def PRO   * QG    1 HG2   HG3   
def PRO   * QD    1 HD2   HD3   
def SER   * QB    1 HB2   HB3   
def TRP   * QB    1 HB2   HB3   
def TYR   * QB    1 HB2   HB3   
def TYR   * QD    5 HD1   HD2   
def TYR   * QE    5 HE1   HE2   
def TYR   * QR    6 QD    QE
def VAL   * QG    4 MG1   MG2  
def   A   * Q5'   1 H5'   H5''
def   A   * Q6    1 H61   H62
def   C   * Q5'   1 H5'   H5''
def   C   * Q4    1 H41   H42
def   G   * Q5'   1 H5'   H5''
def   G   * Q2    1 H21   H22
def   T   * Q5'   1 H5'   H5''
def   U   * Q5'   1 H5'   H5''
def   A   * Q2'   1 H2'   H2''
def   C   * Q2'   1 H2'   H2''
def   G   * Q2'   1 H2'   H2''
def   T   * Q2'   1 H2'   H2''
def   U   * Q2'   1 H2'   H2''
def   DUR * Q2'   1 H2'   H2''
def   DUR * Q5'   1 H5'   H5''
