============================================================================= 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 3 1.000 -50.423 -51.727 62.834 -99.200 -91.000 PHE 11 1.000 -64.451 -55.942 56.552 -99.200 -91.000 TYR 12 0.840 -64.974 -49.963 61.326 -99.200 -91.000 PHE 23 1.000 -47.472 -34.358 58.680 -99.200 -91.000 TYR 38 0.840 -66.342 -49.116 67.581 -99.200 -91.000 PHE 42 1.000 -59.458 -42.585 57.998 -99.200 -91.000 HIS 72 0.900 -58.475 -45.715 84.737 -99.200 -91.000 HIS 73 0.900 -62.313 -45.646 85.953 -99.200 -91.000 HIS 79 0.900 -63.609 -52.520 67.703 -99.200 -91.000 TYR 82 0.840 -59.835 -52.346 59.652 -99.200 -91.000 PHE 101 1.000 -60.169 -26.221 80.956 -99.200 -91.000 PHE 103 1.000 -70.586 -30.341 82.121 -99.200 -91.000 PHE 118 1.000 -66.352 -32.140 86.275 -99.200 -91.000 TYR 128 0.840 -54.646 -48.287 83.362 -99.200 -91.000 HIS 130 0.900 -47.623 -40.354 85.311 -99.200 -91.000 HIS 136 0.900 -51.752 -37.703 77.040 -99.200 -91.000 PHE 137 1.000 -43.202 -37.420 77.996 -99.200 -91.000 HIS 155 0.900 -69.524 -41.032 83.904 -99.200 -91.000 PHE 161 1.000 -53.145 -42.277 75.688 -99.200 -91.000 HIS 165 0.900 -40.638 -42.700 74.590 -99.200 -91.000 PHE 173 1.000 -38.581 -39.331 74.977 -99.200 -91.000 PHE 177 1.000 -42.429 -34.205 74.133 -99.200 -91.000 PHE 182 1.000 -52.051 -26.075 77.943 -99.200 -91.000 TYR 190 0.840 -32.192 -32.054 73.508 -99.200 -91.000 TRP 200 1.040 -45.029 -27.341 83.931 -99.200 -91.000 TRP6 200 1.020 -43.572 -26.046 85.261 -99.200 -91.000 TYR 207 0.840 -52.357 -19.956 87.341 -99.200 -91.000 PHE 216 1.000 -45.493 -21.399 84.347 -99.200 -91.000 TYR 233 0.840 -46.578 -20.312 89.618 -99.200 -91.000 PHE 235 1.000 -50.702 -19.677 93.049 -99.200 -91.000 PHE 239 1.000 -56.117 -12.736 86.019 -99.200 -91.000 PHE 240 1.000 -55.009 -18.172 90.733 -99.200 -91.000 HIS 242 0.900 -64.412 -15.059 93.525 -99.200 -91.000 PHE 250 1.000 -53.473 -30.645 92.931 -99.200 -91.000 HIS 271 0.900 -52.566 -30.691 98.126 -99.200 -91.000 TRP 273 1.040 -58.281 -28.022 96.175 -99.200 -91.000 TRP6 273 1.020 -58.073 -28.202 93.854 -99.200 -91.000 PHE 295 1.000 -63.177 -22.444 82.536 -99.200 -91.000 TYR 299 0.840 -66.280 -21.293 76.244 -99.200 -91.000