Dear all,
When I use anal to calculate the energy, there is something wrong in
the out file. The error message is the following:
-------------------
number of non-bonded residue pairs = 109746
DIHEDRAL ANGLE ERROR: 8227 22038 22029 22032 22047 49
0 0.0000 0.0000
-------------------
I have searched the whole mailing list, someone also met this kind of
the question. However, I don't know how to analyze the top file with rdparm
and correct it.
The top file is the same as that I used for the MD run. The dynamics
calculation is completed well. Some lines of the top file are posted here.
-------------------
%VERSION VERSION_STAMP = V0001.000 DATE = 08/14/05 15:40:18
%FLAG TITLE
%FORMAT(20a4)
%FLAG POINTERS
%FORMAT(10I8) 7362
15 3680 3761 8365 5093 15498 8932 0 0
40624 468 3761 5093 8932 74 159 53 40
0
0 0 0 0 0 0 0 0 86
0
0
%FLAG ATOM_NAME
%FORMAT(20a4) N
H1 H2 H3 CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA
HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2
HB3 C O N H CA HA2 HA3 C O N H CA HA CB HB CG1
HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C
O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O
N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C
O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2
HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2
HG21HG22HG23
CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG ND1 HD1
CE1 HE1 NE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG1
HG11HG12HG13CG2 HG21HG22HG23
C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA
HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2
HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB1 HB2 HB3 C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2
HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H
CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3
CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA
CB HB2 HB3 CG HG CD1 HD11HD12HD13
CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 OG
HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG OD1 OD2
C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22
HD23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13
C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2
CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O
N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA2
HA3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2
HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23OG1
HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C
O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA
CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 OG
HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N
H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N
H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA
CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG CD1
HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG
HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB CG2
HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3
CG OD1 OD2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA
HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA
HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG2
HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 NE2 HE21
HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C
O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2
C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA
HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA
HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1
HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE
CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG CD1 HD1
CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2
HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB1 HB2
HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ
NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG OD1 ND2
HD21HD22C O N H CA HA2 HA3 C O N H CA HA CB HB CG2
HG21HG22HG23OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA
C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N
H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N
H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N
CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
HB3 OG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O
N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
HB CG2 HG21HG22
HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1
OD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE
HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 OG HG C O
N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB
HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA
CB HB2 HB3 CG HG CD1 HD11HD12HD13
CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H
CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA2 HA3 C O
N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3
CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG
CD1 HD11HD12HD13CD2 HD21HD22
HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N CD
HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG2
HG21HG22
HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG
CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1
HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O OXT N H1 H2
H3 CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG ND1
HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
OE1 OE2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB CG1 HG11HG12HG13
CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C O N H
CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ
CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1
NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
HE CZ NH1 HH11HH12
NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2
HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2
CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1
HG11HG12HG13CG2 HG21HG22HG23
C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N
H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG
CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2
HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB
CG2 HG21HG22HG23
CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2
C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA
HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H
CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB
HB1 HB2 HB3 C O N H CA HA2 HA3 C O N H CA HA CB HB CG2
HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 SG HG C O N
H CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB2
HB3 CG OD1 OD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C
O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2
HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H CA
HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB
HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3
CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 OG HG
C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2
HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H
CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1
HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2
HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE
HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
HD2 HD3 NE HE CZ NH1 HH11
HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
HZ CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
HB2 HB3 OG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2
HB3 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 OG HG
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ
HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O OXT N H1
H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H
CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB1 HB2 HB3 C O
N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2
HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2
HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE
CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N H CA
HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 OG HG C
O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2
C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
HD12HD13CD2 HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA2
HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N
H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2
HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB
CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C
O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG2
HG21HG22HG23CG1 HG12HG13CD1 HD11
HD12HD13C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA
CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N
H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG
HG CD1 HD11
HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2
HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H
CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H
CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
HH21HH22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O
N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12
NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3
CG HG CD1 HD11HD12HD13
CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H
CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 OG HG C
O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB CG2
HG21HG22HG23
OG1 HG1 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG
OD1 OD2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB1 HB2 HB3 C O N H CA HA CB HB CG2 HG21HG22HG23CG1
HG12HG13CD1 HD11HD12
HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA
CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1
CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2 HB3
OG HG C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
HD11HD12HD13C O N H CA HA CB HB2 HB3 OG HG C O N H CA
HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 OG HG C O N
CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H
CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1
HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
HG21HG22HG23
CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3
SD CE HE1 HE2 HE3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1
C O N H CA HA CB HB1 HB2 HB3 C O N CD HD2 HD3 CG HG2 HG3
CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22
HD23C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB
HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23
C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ
HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA
HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H
CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H
CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA
HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N
CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22
HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23
C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H
CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N CD
HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3
CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H
CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O
N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N CD HD2
HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG
HG CD1 HD11HD12HD13CD2 HD21HD22HD23
C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB
CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG1
HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
HG21HG22HG23CG1 HG12HG13CD1 HD11
HD12HD13C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N
H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2
HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H
CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB
HB CG1 HG11HG12HG13CG2 HG21HG22
HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
OH HH CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA
HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C
O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA
HA CB HB CG1 HG11HG12HG13CG2 HG21
HG22HG23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22
HD23C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
HE21HE22C O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2
C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2
HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA2 HA3 C O N H CA
HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG
HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG
CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3
OG HG C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2
HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG
CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3
CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O
N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1
HH11HH12NH2 HH21HH22C O N H CA HA CB HB1 HB2 HB3 C O N CD
HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3
CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG OD1 ND2
HD21HD22C O N H CA HA CB HB CG1 HG11HG12
HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12
HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2
HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1
C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2
HD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
N H CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB
HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG
OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG
HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O
N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2
HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2
HG21HG22HG23
OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O
N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N
H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N
H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA
CB HB CG2 HG21HG22HG23
OG1 HG1 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13
CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21
HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22
HD23C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2 HB3 C
O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
HB CG2 HG21HG22
HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH
HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23
C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB
HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA
HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2
C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2
HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
CZ HZ CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA
HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH
HH CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3
CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB
CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG
CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG OD1
OD2 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB
CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2
HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1
OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C
O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA2
HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ
CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB1 HB2 HB3 C O N
H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N
H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11
HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N H CA HA2 HA3 C
O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C
O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB CG1
HG11HG12HG13
CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2
HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG CD1
HD11HD12HD13CD2 HD21
HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB2 HB3 OG HG C O N H CA HA2 HA3 C O N H CA HA CB
HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3
C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB
HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
HG21HG22HG23CG1 HG12HG13CD1 HD11
HD12HD13C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H
CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H
CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2
HB3 OG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2
HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C O OXT O3 H9
C7 H7 H8 C6 H5 H6 O2 C5 H3 H4 C4 H2 H29 O1 C3 C8 C9 H11 H10
C2 H28 C1 H1 C10 C11 C12 H12 H13 H14 C13 H15 H16 H17 C14 H18 H19 C15 C17
H23 H24 H30 C18 H25 H26 H27 C16 H20 H21 H22 O8 C12 N7 H14 C11 O7 N6 C22
C13 N8 C14 C15 H15 C16 C17 H16 H17 H18 C18 C19 H19 H20 H21 C20 H22 C21 N9
C23 H23 H24 C24 O9 H26 H25 C25 O10 H28 H27 C26 O11 H30 H29 C27 H31 H32 O12
P2 O13 H33 O14 O15 P1 O1 H1 O2 O3 C1 H2 H3 C2 C3 O5 H6 C4 O6
H8 H7 H5 H4 O4 C5 H9 N1 C6 H10 N2 C7 C8 N3 H11 H12 N4 C9 H13
N5 C10 C15 H9 C14 C13 H7 H8 O1 C9 C10 C11 C12 F1 H6 Cl1 C8 H5 C7
N3 C6 S2 C5 S1 N1 N2 C1 H1 H10 C2 H2 H11 C3 H3 H12 C4 H4 H13
--------------------------------
Please give me some suggestions! Thanks in advance.
---------------------------------
ÑÅ»¢1GÃâ·ÑÓÊÏä°Ù·Ö°Ù·ÀÀ¬»øÐÅ
ÑÅ»¢ÖúÊÖ-ËÑË÷¡¢É±¶¾¡¢·ÀɧÈÅ
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 26 2006 - 06:10:09 PST
