CYANA Macro: taloslist

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
  ...