============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 9 1.000 -12.345 -14.333 51.287 -99.200 -91.000 TYR 11 0.840 -15.158 -20.155 50.132 -99.200 -91.000 HIS 14 0.900 -10.281 -22.680 44.011 -99.200 -91.000 PHE 41 1.000 -17.484 -3.745 37.825 -99.200 -91.000 PHE 56 1.000 -44.128 -5.103 41.945 -99.200 -91.000 PHE 57 1.000 -36.983 -5.557 47.123 -99.200 -91.000 TYR 63 0.840 -24.031 -15.227 35.500 -99.200 -91.000 TYR 68 0.840 -15.217 -9.130 27.601 -99.200 -91.000 PHE 77 1.000 -26.147 -13.360 10.202 -99.200 -91.000 PHE 78 1.000 -27.718 -10.294 14.172 -99.200 -91.000 PHE 103 1.000 -32.758 -6.403 49.093 -99.200 -91.000 PHE 107 1.000 -35.464 -1.101 50.423 -99.200 -91.000 PHE 145 1.000 -28.342 -8.097 51.487 -99.200 -91.000 TYR 156 0.840 -20.787 -38.278 50.088 -99.200 -91.000 TYR 161 0.840 -20.740 -34.247 53.481 -99.200 -91.000 PHE 207 1.000 -17.664 -29.477 53.843 -99.200 -91.000 HIS 209 0.900 -25.001 -21.888 57.693 -99.200 -91.000 TRP 231 1.040 -29.633 3.805 51.144 -99.200 -91.000 TRP6 231 1.020 -31.258 3.462 49.459 -99.200 -91.000 TRP 233 1.040 -37.085 2.098 54.047 -99.200 -91.000 TRP6 233 1.020 -37.770 0.125 55.153 -99.200 -91.000 TYR 258 0.840 -57.402 -17.594 53.652 -99.200 -91.000 TYR 267 0.840 -57.102 -18.480 45.690 -99.200 -91.000 HIS 298 0.900 -50.795 -11.087 52.109 -99.200 -91.000 HIS 338 0.900 -41.436 -41.189 19.991 -99.200 -91.000 PHE 343 1.000 -48.396 -37.289 40.271 -99.200 -91.000 PHE 376 1.000 -33.660 -36.017 31.049 -99.200 -91.000 PHE 378 1.000 -38.421 -32.601 33.037 -99.200 -91.000 HIS 379 0.900 -37.389 -27.994 26.298 -99.200 -91.000 TYR 380 0.840 -42.854 -26.022 35.273 -99.200 -91.000 PHE 382 1.000 -47.823 -22.261 36.643 -99.200 -91.000 TYR 385 0.840 -54.434 -24.239 30.214 -99.200 -91.000 HIS 403 0.900 -40.923 -23.537 39.427 -99.200 -91.000 PHE 421 1.000 -33.457 -45.655 25.476 -99.200 -91.000 TYR 423 0.840 -32.486 -45.325 20.898 -99.200 -91.000 TYR 475 0.840 -39.934 -27.328 64.550 -99.200 -91.000 HIS 487 0.900 -48.413 -18.241 46.982 -99.200 -91.000 PHE 493 1.000 -36.440 -29.045 53.175 -99.200 -91.000 HIS 532 0.900 -49.681 -42.518 49.987 -99.200 -91.000