CYANA Macro: taloslist: Difference between revisions
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== Parameters == | == Parameters == | ||
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== Description == | == Description == | ||
Writes a chemical shift list in the format used by TALOS. | Writes a chemical shift list in the format used by TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). The following is an example of a chemical shift list for TALOS+. | ||
REMARK Chemical shift list for TALOS | |||
DATA SEQUENCE GSSGSSGEVQ KPLHEQLWYH GAIPRAEVAE LLVHSGDFLV RESQGKQEYV | |||
DATA SEQUENCE LSVLWDGLPR HFIIQSLDNL YRLEGEGFPS IPLLIDHLLS TQQPLTKKSG | |||
DATA SEQUENCE VVLHRAVPSG PSSG | |||
VARS RESID RESNAME ATOMNAME SHIFT | |||
FORMAT %4d %1s %4s %8.3f | |||
8 E N 121.23 | |||
8 E H 8.26 | |||
8 E CA 55.67 | |||
8 E HA 4.05 | |||
8 E CB 27.75 | |||
9 V N 117.96 | |||
9 V H 7.88 | |||
9 V CA 61.49 | |||
9 V HA 3.91 | |||
9 V CB 29.85 | |||
... | |||
Revision as of 20:59, 31 July 2011
Parameters
- file=filename.tab (required)
Description
Writes a chemical shift list in the format used by TALOS+ (Shen et al., J. Biomol. NMR 44, 213-223 (2009)). The following is an example of a chemical shift list for TALOS+.
REMARK Chemical shift list for TALOS DATA SEQUENCE GSSGSSGEVQ KPLHEQLWYH GAIPRAEVAE LLVHSGDFLV RESQGKQEYV DATA SEQUENCE LSVLWDGLPR HFIIQSLDNL YRLEGEGFPS IPLLIDHLLS TQQPLTKKSG DATA SEQUENCE VVLHRAVPSG PSSG VARS RESID RESNAME ATOMNAME SHIFT FORMAT %4d %1s %4s %8.3f 8 E N 121.23 8 E H 8.26 8 E CA 55.67 8 E HA 4.05 8 E CB 27.75 9 V N 117.96 9 V H 7.88 9 V CA 61.49 9 V HA 3.91 9 V CB 29.85 ...