File: ACE_types.dat

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ACE 1H -1
ACE 2H -1
ACE 3H -1
ACE C 2
ACE CH3 5
ACE H1 -1
ACE H2 -1
ACE H3 -1
ACE O 3
ALA 1HB -1
ALA 2HB -1
ALA 3HB -1
ALA 1H -1
ALA 2H -1
ALA 3H -1
ALA H1 -1
ALA H2 -1
ALA H3 -1
ALA C 2
ALA CA 1
ALA CB 5
ALA H -1
ALA HA -1
ALA HB1 -1
ALA HB2 -1
ALA HB3 -1
ALA N 0
ALA O 3
ALA OXT 3
ARG 1H -1
ARG 2H -1
ARG 3H -1
ARG H1 -1
ARG H2 -1
ARG H3 -1
ARG 1HB -1
ARG 1HD -1
ARG 1HG -1
ARG 1HH1 -1
ARG 1HH2 -1
ARG 2HB -1
ARG 2HD -1
ARG 2HG -1
ARG 2HH1 -1
ARG 2HH2 -1
ARG C 2
ARG CA 1
ARG CB 5
ARG CD 11
ARG CG 15
ARG CZ 9
ARG H -1
ARG HA -1
ARG HB2 -1
ARG HB3 -1
ARG HD2 -1
ARG HD3 -1
ARG HE -1
ARG HG2 -1
ARG HG3 -1
ARG HH11 -1
ARG HH12 -1
ARG HH21 -1
ARG HH22 -1
ARG N 0
ARG NE 11
ARG NH1 9
ARG NH2 9
ARG O 3
ARG OXT 3
ASN 1HB -1
ASN 1H -1
ASN 2H -1
ASN 3H -1
ASN H1 -1
ASN H2 -1
ASN H3 -1
ASN 1HD2 -1
ASN 2HB -1
ASN 2HD2 -1
ASN AD1 10
ASN AD2 10
ASN C 2
ASN CA 1
ASN CB 5
ASN CG 10
ASN H -1
ASN HA -1
ASN HB2 -1
ASN HB3 -1
ASN HD21 -1
ASN HD22 -1
ASN N 0
ASN ND2 10
ASN O 3
ASN OXT 3
ASN OD1 10
ASP 1H -1
ASP 2H -1
ASP 3H -1
ASP H1 -1
ASP H2 -1
ASP H3 -1
ASP 1HB -1
ASP 2HB -1
ASP C 2
ASP CA 1
ASP CB 5
ASP CG 8
ASP H -1
ASP HA -1
ASP HB2 -1
ASP HB3 -1
ASP N 0
ASP O 3
ASP OXT 3
ASP OD1 8
ASP OD2 8
CA CA -2
CU CU -2
CYS 1H -1
CYS 2H -1
CYS 3H -1
CYS H1 -1
CYS H2 -1
CYS H3 -1
CYS 1HB -1
CYS 2HB -1
CYS C 2
CYS CA 1
CYS CB 5
CYS H -1
CYS HA -1
CYS HB2 -1
CYS HB3 -1
CYS HG -1
CYS HSG -1
CYS N 0
CYS O 3
CYS OXT 3
CYS SG 17
FE FE -2
GLN 1H -1
GLN 2H -1
GLN 3H -1
GLN H1 -1
GLN H2 -1
GLN H3 -1
GLN 1HB -1
GLN 1HE2 -1
GLN 1HG -1
GLN 2HB -1
GLN 2HE2 -1
GLN 2HG -1
GLN AE1 10
GLN AE2 10
GLN AK1 10
GLN AK2 10
GLN C 2
GLN CA 1
GLN CB 5
GLN CD 10
GLN CG 15
GLN H -1
GLN HA -1
GLN HB2 -1
GLN HB3 -1
GLN HE21 -1
GLN HE22 -1
GLN HG2 -1
GLN HG3 -1
GLN N 0
GLN NE2 10
GLN O 3
GLN OXT 3
GLN OE1 10
GLU 1H -1
GLU 2H -1
GLU 3H -1
GLU H1 -1
GLU H2 -1
GLU H3 -1
GLU 1HB -1
GLU 1HG -1
GLU 2HB -1
GLU 2HG -1
GLU C 2
GLU CA 1
GLU CB 5
GLU CD 8
GLU CG 15
GLU H -1
GLU HA -1
GLU HB2 -1
GLU HB3 -1
GLU HG2 -1
GLU HG3 -1
GLU N 0
GLU O 3
GLU OXT 3
GLU OE1 8
GLU OE2 8
GLY 1H -1
GLY 2H -1
GLY 3H -1
GLY H1 -1
GLY H2 -1
GLY H3 -1
GLY 1HA -1
GLY 2HA -1
GLY C 2
GLY CA 4
GLY H -1
GLY HA2 -1
GLY HA3 -1
GLY N 0
GLY O 3
GLY OXT 3
HID 1H -1
HID 2H -1
HID 3H -1
HID H1 -1
HID H2 -1
HID H3 -1
HID 1HB -1
HID 2HB -1
HID AD1 13
HID AD2 13
HID AE1 13
HID AE2 13
HID AK1 13
HID AK2 13
HID C 2
HID CA 1
HID CB 5
HID CD2 13
HID CE1 13
HID CG 13
HID H -1
HID HA -1
HID HB2 -1
HID HB3 -1
HID HD1 -1
HID HD2 -1
HID HE1 -1
HID N 0
HID ND1 13
HID NE2 13
HID O 3
HID OXT 3
HIE 1H -1
HIE 2H -1
HIE 3H -1
HIE H1 -1
HIE H2 -1
HIE H3 -1
HIE 1HB -1
HIE 2HB -1
HIE AD1 13
HIE AD2 13
HIE AE1 13
HIE AE2 13
HIE AK1 13
HIE AK2 13
HIE C 2
HIE CA 1
HIE CB 5
HIE CD2 13
HIE CE1 13
HIE CG 13
HIE H -1
HIE HA -1
HIE HB2 -1
HIE HB3 -1
HIE HD2 -1
HIE HE1 -1
HIE HE2 -1
HIE N 0
HIE ND1 13
HIE NE2 13
HIE O 3
HIE OXT 3
HIP 1H -1
HIP 2H -1
HIP 3H -1
HIP H1 -1
HIP H2 -1
HIP H3 -1
HIP 1HB -1
HIP 2HB -1
HIP AD1 13
HIP AD2 13
HIP AE1 13
HIP AE2 13
HIP AK1 13
HIP AK2 13
HIP C 2
HIP CA 1
HIP CB 5
HIP CD2 13
HIP CE1 13
HIP CG 13
HIP H -1
HIP HA -1
HIP HB2 -1
HIP HB3 -1
HIP HD1 -1
HIP HD2 -1
HIP HE1 -1
HIP HE2 -1
HIP N 0
HIP ND1 13
HIP NE2 13
HIP O 3
HIP OXT 3
HIS 1H -1
HIS 2H -1
HIS 3H -1
HIS H1 -1
HIS H2 -1
HIS H3 -1
HIS 1HB -1
HIS 2HB -1
HIS AD1 13
HIS AD2 13
HIS AE1 13
HIS AE2 13
HIS AK1 13
HIS AK2 13
HIS C 2
HIS CA 1
HIS CB 5
HIS CD2 13
HIS CE1 13
HIS CG 13
HIS H -1
HIS HA -1
HIS HB2 -1
HIS HB3 -1
HIS HD1 -1
HIS HD2 -1
HIS HE1 -1
HIS HE2 -1
HIS N 0
HIS ND1 13
HIS NE2 13
HIS O 3
HIS OXT 3
HOH H1 -1
HOH H2 -1
HOH O -1
ILE 1HD1 -1
ILE 1HG1 -1
ILE 1HG2 -1
ILE 2HD1 -1
ILE 2HG1 -1
ILE 2HG2 -1
ILE 3HD1 -1
ILE 3HG2 -1
ILE C 2
ILE CA 1
ILE CB 5
ILE CD1 16
ILE CG1 15
ILE CG2 16
ILE H -1
ILE 1H -1
ILE 2H -1
ILE 3H -1
ILE H1 -1
ILE H2 -1
ILE H3 -1
ILE HA -1
ILE HB -1
ILE HD11 -1
ILE HD12 -1
ILE HD13 -1
ILE HG12 -1
ILE HG13 -1
ILE HG21 -1
ILE HG22 -1
ILE HG23 -1
ILE N 0
ILE O 3
ILE OXT 3
LEU 1H -1
LEU 2H -1
LEU 3H -1
LEU H1 -1
LEU H2 -1
LEU H3 -1
LEU 1HB -1
LEU 1HD1 -1
LEU 1HD2 -1
LEU 2HB -1
LEU 2HD1 -1
LEU 2HD2 -1
LEU 3HD1 -1
LEU 3HD2 -1
LEU C 2
LEU CA 1
LEU CB 5
LEU CD1 16
LEU CD2 16
LEU CG 15
LEU H -1
LEU HA -1
LEU HB2 -1
LEU HB3 -1
LEU HD11 -1
LEU HD12 -1
LEU HD13 -1
LEU HD21 -1
LEU HD22 -1
LEU HD23 -1
LEU HG -1
LEU N 0
LEU O 3
LEU OXT 3
LYS 1H -1
LYS 2H -1
LYS 3H -1
LYS H1 -1
LYS H2 -1
LYS H3 -1
LYS 1HB -1
LYS 1HD -1
LYS 1HE -1
LYS 1HG -1
LYS 1HZ -1
LYS 2HB -1
LYS 2HD -1
LYS 2HE -1
LYS 2HG -1
LYS 2HZ -1
LYS 3HZ -1
LYS C 2
LYS CA 1
LYS CB 5
LYS CD 7
LYS CE 6
LYS CG 15
LYS H -1
LYS HA -1
LYS HB2 -1
LYS HB3 -1
LYS HD2 -1
LYS HD3 -1
LYS HE2 -1
LYS HE3 -1
LYS HG2 -1
LYS HG3 -1
LYS HZ1 -1
LYS HZ2 -1
LYS HZ3 -1
LYS N 0
LYS NZ 6
LYS O 3
LYS OXT 3
MET 1H -1
MET 2H -1
MET 3H -1
MET H1 -1
MET H2 -1
MET H3 -1
MET 1HB -1
MET 1HE -1
MET 1HG -1
MET 2HB -1
MET 2HE -1
MET 2HG -1
MET 3HE -1
MET C 2
MET CA 1
MET CB 5
MET CE 16
MET CG 15
MET H -1
MET HA -1
MET HB2 -1
MET HB3 -1
MET HE1 -1
MET HE2 -1
MET HE3 -1
MET HG2 -1
MET HG3 -1
MET N 0
MET O 3
MET OXT 3
MET SD 15
NME 1H -1
NME 2H -1
NME 3H -1
NME CH3 15
NME H1 -1
NME H2 -1
NME H3 -1
NME HN -1
NME N 0
PHE 1H -1
PHE 2H -1
PHE 3H -1
PHE H1 -1
PHE H2 -1
PHE H3 -1
PHE 1HB -1
PHE 2HB -1
PHE C 2
PHE CA 1
PHE CB 5
PHE CD1 15
PHE CD2 15
PHE CE1 15
PHE CE2 15
PHE CG 15
PHE CZ 15
PHE H -1
PHE HA -1
PHE HB2 -1
PHE HB3 -1
PHE HD1 -1
PHE HD2 -1
PHE HE1 -1
PHE HE2 -1
PHE HZ -1
PHE N 0
PHE O 3
PHE OXT 3
PRO 1H -1
PRO 2H -1
PRO 3H -1
PRO H1 -1
PRO H2 -1
PRO H3 -1
PRO 1HB -1
PRO 1HD -1
PRO 1HG -1
PRO 2HB -1
PRO 2HD -1
PRO 2HG -1
PRO C 2
PRO CA 1
PRO CB 5
PRO CD 5
PRO CG 5
PRO HA -1
PRO HB2 -1
PRO HB3 -1
PRO HD2 -1
PRO HD3 -1
PRO HG2 -1
PRO HG3 -1
PRO N 0
PRO O 3
PRO OXT 3
SER 1H -1
SER 2H -1
SER 3H -1
SER H1 -1
SER H2 -1
SER H3 -1
SER 1HB -1
SER 2HB -1
SER C 2
SER CA 1
SER CB 12
SER H -1
SER HA -1
SER HB2 -1
SER HB3 -1
SER HG -1
SER N 0
SER O 3
SER OXT 3
SER OG 12
STA C 2
STA CA 5
STA CB -2
STA CD1 -2
STA CD2 -2
STA CG -2
STA CH -2
STA CM -2
STA N 0
STA O 3
STA OXT 3
STA OH -2
THR 1H -1
THR 2H -1
THR 3H -1
THR H1 -1
THR H2 -1
THR H3 -1
THR 1HB -1
THR 2HB -1
THR 1HG2 -1
THR 2HG2 -1
THR 3HG2 -1
THR C 2
THR CA 1
THR CB 5
THR CG2 15
THR H -1
THR HA -1
THR HB -1
THR HG1 -1
THR HG21 -1
THR HG22 -1
THR HG23 -1
THR N 0
THR O 3
THR OXT 3
THR OG1 12
TRP 1H -1
TRP 2H -1
TRP 3H -1
TRP H1 -1
TRP H2 -1
TRP H3 -1
TRP 1HB -1
TRP 2HB -1
TRP C 2
TRP CA 1
TRP CB 5
TRP CD1 15
TRP CD2 15
TRP CE2 15
TRP CE3 15
TRP CG 15
TRP CH2 15
TRP CZ2 15
TRP CZ3 15
TRP H -1
TRP HA -1
TRP HB2 -1
TRP HB3 -1
TRP HD1 -1
TRP HE1 -1
TRP HE3 -1
TRP HH2 -1
TRP HZ2 -1
TRP HZ3 -1
TRP N 0
TRP NE1 13
TRP O 3
TRP OXT 3
TYR 1H -1
TYR 2H -1
TYR 3H -1
TYR H1 -1
TYR H2 -1
TYR H3 -1
TYR 1HB -1
TYR 2HB -1
TYR C 2
TYR CA 1
TYR CB 5
TYR CD1 15
TYR CD2 15
TYR CE1 14
TYR CE2 14
TYR CG 15
TYR CZ 14
TYR H -1
TYR HA -1
TYR HB2 -1
TYR HB3 -1
TYR HD1 -1
TYR HD2 -1
TYR HE1 -1
TYR HE2 -1
TYR HH -1
TYR N 0
TYR O 3
TYR OXT 3
TYR OH 12
VAL 1H -1
VAL 2H -1
VAL 3H -1
VAL H1 -1
VAL H2 -1
VAL H3 -1
VAL 1HG1 -1
VAL 1HG2 -1
VAL 2HG1 -1
VAL 2HG2 -1
VAL 3HG1 -1
VAL 3HG2 -1
VAL C 2
VAL CA 1
VAL CB 5
VAL CG1 16
VAL CG2 16
VAL H -1
VAL HA -1
VAL HB -1
VAL HG11 -1
VAL HG12 -1
VAL HG13 -1
VAL HG21 -1
VAL HG22 -1
VAL HG23 -1
VAL N 0
VAL O 3
VAL OXT 3
ZN ZN -2