============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 22 0.900 7.915 64.479 39.877 -99.200 -91.000 TYR 23 0.840 8.384 60.421 33.319 -99.200 -91.000 PHE 36 1.000 2.330 61.435 31.747 -99.200 -91.000 PHE 81 1.000 9.916 49.347 25.075 -99.200 -91.000 TYR 91 0.840 9.538 44.994 21.784 -99.200 -91.000 PHE 93 1.000 8.147 51.241 20.473 -99.200 -91.000 TYR 97 0.840 3.856 57.725 27.295 -99.200 -91.000 TYR 98 0.840 6.600 64.496 29.374 -99.200 -91.000 TYR 112 0.840 34.090 62.951 35.803 -99.200 -91.000 PHE 148 1.000 29.275 53.640 26.231 -99.200 -91.000 PHE 151 1.000 26.824 48.092 35.826 -99.200 -91.000 TYR 154 0.840 17.920 51.998 34.348 -99.200 -91.000 PHE 169 1.000 22.232 55.178 36.667 -99.200 -91.000 TYR 179 0.840 17.971 54.521 40.301 -99.200 -91.000 PHE 191 1.000 25.085 64.362 26.657 -99.200 -91.000 TYR 196 0.840 10.235 58.476 27.797 -99.200 -91.000 PHE 207 1.000 -4.294 46.158 23.097 -99.200 -91.000 TYR 210 0.840 -8.909 50.550 22.228 -99.200 -91.000 PHE 214 1.000 -5.685 55.647 25.934 -99.200 -91.000 HIS 218 0.900 -8.759 58.711 25.623 -99.200 -91.000 TRP 229 1.040 0.928 62.326 37.943 -99.200 -91.000 TRP6 229 1.020 1.477 61.376 40.027 -99.200 -91.000