#ifndef RC_H /* Random coil values for 15N */ static float N15RC[] = { 123.8, 118.6, 120.4, 120.2, 120.3, 108.8, 118.2, 119.9, 120.4, 121.8, 119.6, 118.7, 0.0, 119.8, 120.5, 115.7, 113.6, 119.2, 121.3, 120.3 }; /* Calibrated HN random coil values */ /* static float HNRC[] = { 8.24, 8.32, 8.34, 8.42, 8.30, 8.33, 8.32, 8.05, 8.29, 8.16, 8.28, 8.30, 0.0, 8.32, 8.23, 8.31, 8.15, 8.03, 8.15, 8.12 }; */ /* static float HARC[] = { 4.432847, 4.65, 4.725179, 4.364552, 4.430244, 3.97, 4.615947, 4.193333, 4.368070, 4.402746, 4.461933, 4.806587, 4.658447, 4.405826, 4.350150, 4.504638, 4.324869, 4.086605, 4.412784, 4.339301 }; static float CARC[] = { 52.26644, 57.791772, 54.158222, 56.503798, 57.64624, 45.486533, 55.660394, 61.206185, 56.243301, 54.957697, 55.367, 53.30902, 63.066266, 56.062813, 56.24026, 58.144025, 62.54202, 62.512466, 56.208648, 57.33818 }; static float CBRC[] = { 19.0, 41.8, 40.8, 29.7, 39.3, 0.0, 32.0, 37.5, 32.3, 41.9, 32.8, 39.0, 31.7, 30.1, 30.3, 62.7, 68.1, 31.7, 28.3, 38.7 }; static float CORC[] = { 177.1, 175.1, 177.2, 176.1, 175.8, 173.6, 175.1, 176.8, 176.5, 177.1, 175.5, 175.5, 176.0, 176.3, 176.5, 173.7, 175.2, 177.1, 175.8, 175.7 }; */ /* Revised values from 2000 Methods In Enzymology Paper (Wishart and Case) */ static float HNRC[] = { 8.24, 8.32, 8.34, 8.42, 8.30, 8.33, 8.42, 8.00, 8.29, 8.16, 8.28, 8.40, 0.0, 8.32, 8.23, 8.31, 8.15, 8.03, 8.25, 8.12 }; /* Calibrated HA random coil values for statistical method */ static float HARC[] = { 4.32, 4.55, 4.64, 4.35, 4.62, 3.96, 4.73, 4.17, 4.32, 4.34, 4.48, 4.74, 4.42, 4.34, 4.34, 4.47, 4.35, 4.12, 4.66, 4.55 }; /* Calibrated CA random coil values for statistical method */ static float CARC[] = { 52.5, 58.2, 54.2, 56.6, 57.7, 45.1, 55.0, 61.1, 56.2, 55.1, 55.4, 53.1, 63.3, 55.7, 56.0, 58.3, 61.8, 62.2, 57.5, 57.9 }; static float CBRC[] = { 19.1, 28.0, 41.1, 29.9, 39.6, 0.0, 29.0, 38.8, 33.1, 42.4, 32.9, 38.9, 32.1, 29.4, 30.9, 63.8, 69.8, 32.9, 29.6, 37.8 }; static float CORC[] = { 177.8, 174.6, 176.3, 176.6, 175.8, 174.9, 174.1, 176.4, 176.6, 177.6, 176.3, 175.2, 177.3, 176.0, 176.3, 174.6, 174.7, 176.3, 176.1, 175.9 }; static float HBRC[] = {1.39, 2.93, 2.72, 2.06, 3.14, 0.00, 3.29, 1.87, 1.84, 1.62, 2.11, 2.83, 2.29, 2.12, 1.86, 3.89, 4.24, 2.08, 3.29, 3.03}; static float HSRC[NHATOMS][20] = { //AA,, Ala,Cys (ox), Asp, Glu, Phe, Gly, His, Ile, Lys, Leu, Met, Asn, Pro, Gln, Arg, Ser, Thr, Val, Trp, Tyr, /*NH,,*/ 8.24, 8.32,8.34,8.42, 8.3,8.33,8.42, 8,8.29,8.16,8.28, 8.4, 0,8.32,8.23,8.31,8.15,8.03,8.25,8.12, /*AH,,*/ 4.32, 4.55,4.64,4.35,4.62, 0.0,4.73,4.17,4.32,4.34,4.48,4.74,4.42,4.34,4.34,4.47,4.35,4.12,4.66,4.55, /*HA2,,*/ 0, 0, 0, 0, 0,3.96, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HA3,,*/ 0, 0, 0, 0, 0,3.96, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HB,,*/ 0, 0, 0, 0, 0, 0, 0,1.87, 0, 0, 0, 0, 0, 0, 0, 0,4.24,2.08, 0, 0, /*HB1,,*/1.39, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HB2,,*/1.39, 2.93,2.72,2.06,3.14, 0,3.29, 0,1.84,1.62,2.11,2.83,2.29,2.12,1.86,3.89, 0, 0,3.29,3.03, /*HB3,,*/1.39, 2.93,2.65,1.96,3.04, 0,3.16, 0,1.75,1.62,2.01,2.75,1.94,1.99,1.76,3.87, 0, 0,3.27,2.98, /*HD1,,*/ 0, 0, 0, 0,7.28, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,7.27,7.14, /*HD11,,*/ 0, 0, 0, 0, 0, 0, 0,0.86, 0,0.92, 0, 0, 0, 0, 0, 0, 0, 0, 0 ,0, /*HD12,,*/ 0, 0, 0, 0, 0, 0, 0,0.86, 0,0.92, 0, 0, 0, 0, 0, 0, 0, 0, 0 ,0, /*HD13,,*/ 0, 0, 0, 0, 0, 0, 0,0.86, 0,0.92, 0, 0, 0, 0, 0, 0, 0, 0, 0 ,0, /*HD2,,*/ 0, 0, 0, 0,7.28, 0,8.58, 0,1.68, 0, 0, 0,3.63, 0, 3.2, 0, 0, 0, 0,7.14, /*HD21,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0,0.87, 0,7.59, 0, 0, 0, 0, 0, 0, 0, 0, /*HD22,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0,0.87, 0,6.91, 0, 0, 0, 0, 0, 0, 0, 0, /*HD23,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0,0.87, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HD3,,*/ 0, 0, 0, 0, 0, 0, 0, 0,1.68, 0, 0, 0,3.63, 0, 3.2, 0, 0, 0, 0, 0, /*HE,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,8.07, 0, 0, 0, 0, 0, /*HE1,,*/ 0, 0, 0, 0,7.38, 0,7.29, 0, 0, 0, 2.1, 0, 0, 0, 0, 0, 0, 0,10.09,6.84, /*HE2,,*/ 0, 0, 0, 0,7.38, 0, 0, 0,2.99, 0, 2.1, 0, 0, 0, 0, 0, 0, 0, 0,6.84, /*HE21,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,7.52, 0, 0, 0, 0, 0, 0, /*HE22,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,6.85, 0, 0, 0, 0, 0, 0, /*HE3,,*/ 0, 0, 0, 0, 0, 0, 0, 0,2.99, 0, 2.1, 0, 0, 0, 0, 0, 0, 0, 7.5, 0, /*HG,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0,1.59, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HG1,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HG11,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,0.94, 0, 0, /*HG12,,*/ 0, 0, 0, 0, 0, 0, 0,1.45, 0, 0, 0, 0, 0, 0, 0, 0, 0,0.94, 0, 0, /*HG13,,*/ 0, 0, 0, 0, 0, 0, 0,1.16, 0, 0, 0, 0, 0, 0, 0, 0, 0,0.94, 0, 0, /*HG2,,*/ 0, 0, 0,2.31, 0, 0, 0, 0,1.44, 0, 2.6, 0,2.02,2.36,1.63, 0, 0, 0, 0, 0, /*HG21,,*/ 0, 0, 0, 0, 0, 0, 0,0.91, 0, 0, 0, 0, 0, 0, 0, 0,1.21,0.93, 0, 0, /*HG22,,*/ 0, 0, 0, 0, 0, 0, 0,0.91, 0, 0, 0, 0, 0, 0, 0, 0,1.21,0.93, 0, 0, /*HG23,,*/ 0, 0, 0, 0, 0, 0, 0,0.91, 0, 0, 0, 0, 0, 0, 0, 0,1.21,0.93, 0, 0, /*HG3,,*/ 0, 0, 0,2.31, 0, 0, 0, 0,1.44, 0,2.54, 0,2.02,2.36,1.63, 0, 0, 0, 0, 0, /*HH,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HH11,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HH12,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HH2,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,7.18, 0, /*HH21,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HH22,,*/ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HZ,,*/ 0, 0, 0, 0,7.32, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HZ1,,*/ 0, 0, 0, 0, 0, 0, 0, 0,7.81, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, /*HZ2,,*/ 0, 0, 0, 0, 0, 0, 0, 0,7.81, 0, 0, 0, 0, 0, 0, 0, 0, 0,7.65, 0, /*HZ3,,*/ 0, 0, 0, 0, 0, 0, 0, 0,7.81, 0, 0, 0, 0, 0, 0, 0, 0, 0,7.25, 0, }; /* ADDNEW */ #define RC_H #endif