Author:  leigh willard
Version: 1.0, Nov/95
Purpose: This perl script takes an input file in publication format,
         and converts it into a ppm file.

Usage:   ss2ppm   
            where the header_line indicates the atom names 
            eg, "AA  HN  CaH     CbH     Others"

Here is an example input file:


Table S1: 1H Chemical shifts of SDF at 30C, pH 5.0a
______________________________________________________________________________
AA	HN	CaH		CbH		Others
_____________________________________________________________________________
K1		4.39		1.96, 1.75	CgH 1.55, 1.55 CdH 1.74, 1.74 CeH 3.04
P2		4.58 (+1)	2.36, 1.92	CgH 2.03, 2.06 CdH 3.62, 3.79		Ca 63.09 Cd 50.83
V3	8.36	4.13 (+1)	2.08		CgH3 1.00, 0.97				Ca 62.41
S4	8.34	4.49 (0)		3.85							Ca 57.90  Cb 63.79


Here is an example output file:

!
! SEQUENCE: KPVSLSYRCPCRFFESHVARANVKHLKILNTPNCALQIVARLKNNNRQVCIDPKLKWIQEYLEKALN
!
1:LYS_1:HA1     1.96
1:LYS_1:HA2     1.75
1:LYS_1:HG1     1.55
1:LYS_1:HG2     1.55
1:LYS_1:HD1     1.74
1:LYS_1:HD2     1.74
1:LYS_1:HE     3.04
1:PRO_2:Ca     63.09
1:PRO_2:Cd     50.83
1:VAL_3:HN     8.36
1:VAL_3:Ca     62.41
1:SER_4:HN     8.34
1:SER_4:HA     3.85
1:SER_4:Ca     57.90
1:SER_4:Cb     63.79