============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 11 1.000 -15.984 97.202 125.034 -99.200 -91.000 PHE 21 1.000 -22.353 81.289 127.333 -99.200 -91.000 HIS 59 0.900 -15.267 82.748 110.157 -99.200 -91.000 TRP 80 1.040 -9.070 89.184 115.765 -99.200 -91.000 TRP6 80 1.020 -6.747 88.776 115.880 -99.200 -91.000 TYR 86 0.840 -25.101 86.665 107.849 -99.200 -91.000 PHE 101 1.000 -6.683 90.283 123.602 -99.200 -91.000 PHE 104 1.000 -13.165 98.251 117.796 -99.200 -91.000 TRP 106 1.040 -22.944 93.766 115.721 -99.200 -91.000 TRP6 106 1.020 -21.507 95.605 115.464 -99.200 -91.000 PHE 114 1.000 -16.587 92.621 106.804 -99.200 -91.000 TRP 115 1.040 -16.977 96.900 104.042 -99.200 -91.000 TRP6 115 1.020 -14.917 95.962 103.400 -99.200 -91.000 TRP 116 1.040 -18.022 102.264 112.625 -99.200 -91.000 TRP6 116 1.020 -18.147 101.111 114.689 -99.200 -91.000 TRP 127 1.040 -1.475 100.072 118.768 -99.200 -91.000 TRP6 127 1.020 -2.312 98.650 117.069 -99.200 -91.000 HIS 141 0.900 -10.291 96.724 99.106 -99.200 -91.000 TRP 142 1.040 -10.997 100.166 105.965 -99.200 -91.000 TRP6 142 1.020 -12.951 100.877 104.837 -99.200 -91.000 TYR 144 0.840 -3.425 98.380 97.618 -99.200 -91.000 TYR 147 0.840 -6.935 104.216 107.305 -99.200 -91.000 PHE 151 1.000 -0.574 97.108 101.845 -99.200 -91.000 HIS 166 0.900 -7.342 85.039 92.195 -99.200 -91.000 TYR 169 0.840 0.246 84.161 94.665 -99.200 -91.000 PHE 193 1.000 -5.358 66.568 110.601 -99.200 -91.000 TYR 197 0.840 -5.710 62.203 107.968 -99.200 -91.000 PHE 215 1.000 -23.124 55.382 106.764 -99.200 -91.000 TYR 225 0.840 -9.962 56.581 94.361 -99.200 -91.000 TYR 244 0.840 -21.222 50.221 91.889 -99.200 -91.000 PHE 261 1.000 -13.123 51.987 96.422 -99.200 -91.000 HIS 290 0.900 -25.534 61.796 84.476 -99.200 -91.000 HIS 305 0.900 -16.849 73.414 91.982 -99.200 -91.000 TRP 322 1.040 -37.541 71.558 94.127 -99.200 -91.000 TRP6 322 1.020 -35.280 71.746 94.775 -99.200 -91.000 HIS 331 0.900 -38.174 63.186 100.774 -99.200 -91.000 TRP 334 1.040 -38.600 63.618 87.648 -99.200 -91.000 TRP6 334 1.020 -36.889 63.886 89.257 -99.200 -91.000 PHE 359 1.000 -5.357 67.305 116.049 -99.200 -91.000 TYR 376 0.840 7.659 91.984 115.322 -99.200 -91.000 TYR 383 0.840 10.165 85.434 105.200 -99.200 -91.000 TYR 388 0.840 8.860 85.343 100.392 -99.200 -91.000 TYR 397 0.840 7.523 74.433 117.118 -99.200 -91.000 HIS 402 0.900 -1.595 70.891 116.631 -99.200 -91.000 PHE 406 1.000 -3.201 62.675 117.360 -99.200 -91.000 HIS 409 0.900 6.139 58.922 123.636 -99.200 -91.000 TYR 420 0.840 22.980 56.820 104.399 -99.200 -91.000 PHE 429 1.000 12.861 66.306 110.255 -99.200 -91.000