============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 3 1.000 -14.077 36.044 -17.222 -99.200 -91.000 TYR 10 0.840 -12.711 50.755 -1.225 -99.200 -91.000 PHE 120 1.000 1.757 56.598 -33.092 -99.200 -91.000 TYR 126 0.840 6.958 50.167 -30.037 -99.200 -91.000 PHE 137 1.000 11.246 68.979 -31.996 -99.200 -91.000 PHE 145 1.000 19.411 77.774 -35.208 -99.200 -91.000 TYR 150 0.840 28.200 71.469 -49.154 -99.200 -91.000 TYR 163 0.840 18.074 53.705 -37.091 -99.200 -91.000 TYR 169 0.840 15.593 55.163 -32.451 -99.200 -91.000 TYR 189 0.840 7.821 39.011 -23.250 -99.200 -91.000 HIS 198 0.900 12.704 55.058 -18.231 -99.200 -91.000 PHE 223 1.000 -6.385 40.992 -21.264 -99.200 -91.000 PHE 232 1.000 -4.192 29.670 -19.225 -99.200 -91.000 HIS 236 0.900 -2.688 36.774 -16.872 -99.200 -91.000 TYR 242 0.840 -9.832 41.441 -5.618 -99.200 -91.000 PHE 252 1.000 -5.644 52.889 2.370 -99.200 -91.000 TYR 290 0.840 0.017 22.459 7.733 -99.200 -91.000 TYR 293 0.840 -6.415 27.036 5.991 -99.200 -91.000 TRP 301 1.040 -4.617 30.784 -3.000 -99.200 -91.000 TRP6 301 1.020 -4.369 31.754 -0.868 -99.200 -91.000 TYR 304 0.840 -9.584 37.737 -1.370 -99.200 -91.000 TYR 332 0.840 13.081 33.735 1.310 -99.200 -91.000 TYR 333 0.840 2.534 37.103 0.217 -99.200 -91.000 PHE 339 1.000 6.761 24.541 2.578 -99.200 -91.000 PHE 348 1.000 -1.818 28.840 -10.356 -99.200 -91.000 PHE 358 1.000 14.232 41.916 -8.453 -99.200 -91.000 PHE 360 1.000 23.009 34.692 -9.748 -99.200 -91.000 PHE 361 1.000 21.246 37.018 -13.273 -99.200 -91.000 HIS 363 0.900 20.226 41.327 -3.181 -99.200 -91.000 TYR 366 0.840 27.911 34.908 -11.464 -99.200 -91.000 PHE 374 1.000 16.771 43.536 -12.297 -99.200 -91.000 HIS 378 0.900 16.995 42.273 -16.835 -99.200 -91.000 HIS 383 0.900 11.962 34.096 -16.178 -99.200 -91.000 PHE 387 1.000 -0.597 37.510 -11.344 -99.200 -91.000 PHE 405 1.000 24.035 52.449 -11.932 -99.200 -91.000 PHE 418 1.000 7.044 59.710 -21.765 -99.200 -91.000 PHE 424 1.000 1.385 58.932 -20.545 -99.200 -91.000 TYR 430 0.840 -7.067 61.083 -14.853 -99.200 -91.000