int		sbcoil( float observed[ hashed ], int no_coil[ hashed ] )
{

//
//   subtract random coil shifts from observed values
//
// 1) PROTEINS
//
//  coil shift reference values
//  values from Table 1 of Merutka, Dyson, Wright pre-print (Sep. 93)
//     for 278K
//
//  histidine value for protonated ring, asp and glu charged
//  residue labelled HID will get neutral shifts for his subtracted,
//    --output will be labelled HIS; reference shifts are for the neutral
//      for from the Bundi & Wuthrich paper
//
//   (Note that when two protons that
//   are stereo pairs are reported, the larger value of chemical
//   is listed first; this convention should thus be followed
//   in the observed shift file as well.)
//
//  here are the assumed atom orderings:
//      amide proton temp. coefficient (ppb/K) is in column 2
//
// 2) DNA
//
// sugar:
//       methyl-beta-furanoside of 2'-deoxy-D-erythro-pentose
//       R. U. Lemieux, Carb. Res. 20: 59-72 (1971)
// base: 
//       bases in acidic or basic solution, from Aldrich spectral catalog
//
//
//
//============================================================================
//

string		omap[ hashed ], coil[ hashed ];
string		idp;
string		idpfields[ 3 ], mapfields[ 30 ];
int			nmap, i, found;
float		tempd, tempco;

//    set up arrays to help read random coil values:

omap["GLY"] = "H HA2 HA3";
omap["ALA"] = "H HA HB3";
omap["VAL"] = "H HA HB HG13 HG23";
omap["LEU"] = "H HA HB2 HB3 HG HD13 HD23";
omap["ILE"] = "H HA HB HG12 HG13 HG23 HD13";
omap["SER"] = "H HA HB2 HB3";
omap["THR"] = "H HA HB HG23";
omap["PHE"] = "H HA HB2 HB3 HD2 HE2 HZ";
omap["HIS"] = "H HA HB2 HB3 HE1 HD2";
omap["TYR"] = "H HA HB2 HB3 HD2 HE2 HH";
omap["TRP"] = "H HA HB2 HB3 HE1 HD1 HE3 HZ2 HH2 HZ3";
omap["PRO"] = "HA HB2 HB3 HG2 HG3 HD2 HD3";
omap["ASP"] = "H HA HB2 HB3";
omap["GLU"] = "H HA HB2 HB3 HG2 HG3";
omap["ASN"] = "H HA HB2 HB3 HD21 HD22";
omap["GLN"] = "H HA HB2 HB3 HG2 HG3 HE21 HE22";
omap["ARG"] = "H HA HB2 HB3 HG2 HG3 HD2 HD3";
omap["LYS"] = "H HA HB2 HB3 HG2 HG3 HD2 HD3 HE2 HE3";
omap["MET"] = "H HA HB2 HB3 HG2 HG3 HE3";
omap["CYS"] = "H HA HB2 HB3 HG";
omap["CYX"] = "H HA HB2 HB3";
omap["MTH"] = "H1 H2 H3 H4";
omap["CYT"] = "H1' H2'1 H2'2 H3' H4' H5'1 H5'2 H41 H42 H5 H6";
omap["THY"] = "H1' H2'1 H2'2 H3' H4' H5'1 H5'2 H3 H6 H73";
omap["ADE"] = "H1' H2'1 H2'2 H3' H4' H5'1 H5'2 H2 H61 H62 H8";
omap["GUA"] = "H1' H2'1 H2'2 H3' H4' H5'1 H5'2 H1 H21 H22 H8";
#ifdef RNA
omap["CYT"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H41 H42 H5 H6";
omap["THY"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H3 H6 H73";
omap["ADE"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H2 H61 H62 H8";
omap["GUA"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H1 H21 H22 H8";
omap["URA"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H3 H5 H6";
#endif
omap["PSU"] = "H1' H2'1 HO'22 H3' H4' H5'1 H5'2 H1 H3 H6";
omap["H2U"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H3 H51 H52 H61 H62";
omap["7MG"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H1 H21 H22 H73 H8";
omap["1MA"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H11 H12 H13 H2 H6 H8";
omap["2MG"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H1 H2 HA3 H8";
omap["M2G"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H1 H8 HB3 HB3";
omap["5MC"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H41 H42 H6 H73";
omap["5MU"] = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H3 H6 H73";
omap["OMG"] = "H1' H2'1 HA'3 H3' H4' H5'1 H5'2 H1 H21 H22 H8";
omap["OMC"] = "H1' H2'1 HA'3 H3' H4' H5'1 H5'2 H41 H42 H5 H6";
omap["YG"]  = "H1' H2'1 HO'2 H3' H4' H5'1 H5'2 H33 H2 H8 H103 H133 H141 H142 H15 H193 H20 H243";
omap["MTH"] = "H1 H2 H3 H4";
omap["BEN"] = "H1 H2 H3 H4 H5 H6";
omap["PRT"] = "HP";
omap["NRG"] = "H HA HB2 HB3 HG2 HG3 HD2 HD3";
omap["CLA"] = "H HA HB3";

coil["GLY"] = "-7.3: 8.66 : 4.01 : 4.01 ";
coil["ALA"] = "-8.6: 8.67 : 4.34 : 1.41 ";
coil["VAL"] = "-8.7: 8.51 : 4.13 : 2.12 : 0.97 : 0.95 ";
coil["ILE"] = "-8.7: 8.52 : 4.18 : 1.89 : 1.49 : 1.21 : 0.93 : 0.88";
coil["LEU"] = "-8.6: 8.64 : 4.35 : 1.64 : 1.64 : 1.64 : 0.93 : 0.89";
coil["SER"] = "-7.3: 8.69 : 4.49 : 3.95 : 3.93 ";
coil["THR"] = "-7.7: 8.52 : 4.39 : 4.32 : 1.22";
coil["ASP"] = "-6.7: 8.61 : 4.63 : 2.71 : 2.70";
coil["GLU"] = "-7.3: 8.83 : 4.29 : 2.09 : 1.99 : 2.34 : 2.34";
coil["LYS"] = "-8.2: 8.67 : 4.32 : 1.87 : 1.79 : 1.46 : 1.46 : 1.69 : 1.68 : 2.99 : 2.99 : 7.59";
coil["ARG"] = "-7.5: 8.69 : 4.34 : 1.90 : 1.80 : 1.67 : 1.67 : 3.22 : 3.22 : 7.26 : 6.92 : 6.49";
coil["ASN"] = "-7.3: 8.76 : 4.76 : 2.88 : 2.79 : 7.03 : 7.74 ::";
coil["GLN"] = "-7.3: 8.70 : 4.36 : 2.15 : 2.02 : 2.40 : 2.39 : 6.97 : 7.69 ::";
coil["MET"] = "-8.3: 8.73 : 4.52 : 2.15 : 2.03 : 2.63 : 2.56 : 2.10 ";
coil["CYS"] = "-8.0: 8.75 : 4.58 : 2.97 : 2.97 :";
coil["CYX"] = "-8.0: 8.75 : 4.58 : 2.97 : 2.97 ";
coil["TRP"] = "-8.3: 8.23 : 4.62 : 3.23 : 3.23 :10.20 : 7.22 : 7.59 : 7.44 : 7.19 : 7.13 ";
coil["PHE"] = "-8.8: 8.61 : 4.62 : 3.15 : 3.06 : 7.28 : 7.38 : 7.32 ";
coil["TYR"] = "-9.7: 8.59 : 4.56 : 3.06 : 2.98 : 7.15 : 6.85 :";
coil["HIS"] = "-8.0: 8.79 : 4.77 : 3.33 : 3.19 : 8.59 : 7.31 ";
coil["HID"] = "0.0: 8.415 : 4.630 : 3.263 : 3.198 : 7.747 : 6.966";
coil["PRO"] = ": 4.44 : 2.28 : 2.02 : 2.030 : 2.030 : 3.68 : 3.65";

coil["CYT"] = ":5.23:2.24:2.17:4.36:4.0:3.6:3.72::: 6.20 : 7.80";
coil["THY"] = ":5.23:2.24:2.17:4.36:4.0:3.6:3.72:: 7.45 : 1.90";
coil["GUA"] = ":5.23:2.24:2.17:4.36:4.0:3.6:3.72:::: 7.69";
coil["ADE"] = ":5.23:2.24:2.17:4.36:4.0:3.6:3.72: 8.68 :::8.60";
#ifdef RNA
coil["CYT"] = ":5.23:4.36::4.36:4.0:3.6:3.72::: 6.081:7.926";
coil["URA"] = ":5.23:4.36::4.36:4.0:3.6:3.72:: 5.890:7.890";
coil["GUA"] = ":5.23:4.36::4.36:4.0:3.6:3.72:::: 8.015";
coil["ADE"] = ":5.23:4.36::4.36:4.0:3.6:3.72: 8.117 :20:20:8.337";
#endif

tempd = (36. - 5.)/1000.;
for( idp in observed ){

fprintf( stderr, "idp = %s\n", idp );

	split( idp, idpfields, ":" );
	if( !(idpfields[1] in omap) ){
		fprintf( stderr, "unable to subtract coil for %s\n", idp ); exit(1);
	}
	nmap = split( omap[idpfields[1]], mapfields, " " );
	found = 0;
	for( i=1; i<= nmap; i=i+1 ) {
		if( mapfields[i] == idpfields[3] ){ found=1; break; }
	}
	if( found ){
		nmap = split( coil[idpfields[1]], mapfields, ":" );
		if( mapfields[i+1] == "" ){
			fprintf( stderr, "unable to subtract coil for %s", idp );
			fprintf( stderr, "  (blank mapfield)\n" );
			no_coil[ idp ] = 1;
		} else {
			if( idpfields[3] == "H" ){
				tempco = atof( mapfields[1] );
				observed[ idp ] = observed[ idp ] - atof( mapfields[2] )
					- tempco*tempd;
			} else {
				observed[ idp ] = observed[ idp ] - atof( mapfields[i+1] );
			}
#ifdef DEBUG
			fprintf( stderr, "sbcoil: %s  %8.3f\n", idp, atof( mapfields[i+1] ));
#endif
		}
	} else {
		fprintf( stderr, "unable to subtract coil for %s", idp );
		fprintf( stderr, "  (atom name not found)\n" );
		no_coil[ idp ] = 1;
	}
	
}
return(0);
};