============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 14 1.000 -48.992 41.678 -60.894 -99.200 -91.000 HIS 31 0.900 -49.481 12.316 -60.415 -99.200 -91.000 PHE 50 1.000 -43.327 27.451 -62.375 -99.200 -91.000 TRP 65 1.040 -57.244 26.844 -69.644 -99.200 -91.000 TRP6 65 1.020 -58.955 26.674 -67.993 -99.200 -91.000 TYR 82 0.840 -67.188 32.462 -68.468 -99.200 -91.000 HIS 87 0.900 -68.889 15.938 -70.349 -99.200 -91.000 PHE 92 1.000 -58.085 21.878 -55.373 -99.200 -91.000 PHE 94 1.000 -58.791 31.039 -52.976 -99.200 -91.000 HIS 96 0.900 -64.361 33.614 -53.695 -99.200 -91.000 TYR 117 0.840 -57.348 26.598 -54.861 -99.200 -91.000 TYR 147 0.840 -46.932 54.454 -48.449 -99.200 -91.000 HIS 148 0.900 -52.831 53.945 -48.425 -99.200 -91.000 TYR 181 0.840 -52.384 35.827 -34.270 -99.200 -91.000 PHE 211 1.000 -49.591 39.081 -29.908 -99.200 -91.000 HIS 216 0.900 -54.269 47.864 -24.353 -99.200 -91.000 TYR 219 0.840 -68.888 40.383 -25.309 -99.200 -91.000 TYR 223 0.840 -71.748 52.204 -24.366 -99.200 -91.000 HIS 254 0.900 -70.813 61.406 -34.357 -99.200 -91.000 PHE 272 1.000 -64.413 49.383 -42.256 -99.200 -91.000 TYR 280 0.840 -53.692 45.705 -55.808 -99.200 -91.000 HIS 282 0.900 -57.331 55.722 -59.840 -99.200 -91.000 PHE 285 1.000 -64.137 54.585 -50.751 -99.200 -91.000 HIS 288 0.900 -69.681 61.463 -43.224 -99.200 -91.000 PHE 292 1.000 -64.704 53.880 -45.186 -99.200 -91.000 TYR 293 0.840 -55.749 49.558 -48.967 -99.200 -91.000 TYR 308 0.840 -42.755 30.013 -53.013 -99.200 -91.000 TYR 317 0.840 -56.840 19.662 -48.914 -99.200 -91.000 HIS 324 0.900 -54.852 8.086 -54.333 -99.200 -91.000 TRP 326 1.040 -64.065 13.616 -60.461 -99.200 -91.000 TRP6 326 1.020 -66.112 13.421 -59.281 -99.200 -91.000 HIS 343 0.900 -68.760 14.803 -62.556 -99.200 -91.000 PHE 360 1.000 -77.685 20.337 -52.788 -99.200 -91.000