============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 11 1.000 0.352 -0.360 22.552 -99.200 -91.000 PHE 15 1.000 5.092 -2.655 24.968 -99.200 -91.000 HIS 24 0.900 22.321 -3.812 31.077 -99.200 -91.000 TYR 28 0.840 20.772 11.790 28.120 -99.200 -91.000 PHE 44 1.000 7.396 11.538 31.388 -99.200 -91.000 TYR 56 0.840 11.358 18.582 32.028 -99.200 -91.000 HIS 72 0.900 20.938 16.883 28.007 -99.200 -91.000 PHE 105 1.000 14.830 10.409 12.909 -99.200 -91.000 PHE 110 1.000 9.245 2.199 16.212 -99.200 -91.000 HIS 112 0.900 1.087 -2.477 7.818 -99.200 -91.000 TYR 127 0.840 1.336 3.282 5.575 -99.200 -91.000 PHE 144 1.000 17.867 5.362 5.785 -99.200 -91.000 TYR 146 0.840 13.666 4.642 6.566 -99.200 -91.000 TRP 155 1.040 -9.518 -9.841 17.555 -99.200 -91.000 TRP6 155 1.020 -9.225 -12.119 17.030 -99.200 -91.000 TYR 157 0.840 -11.481 -6.280 19.079 -99.200 -91.000 TYR 158 0.840 -14.899 -1.295 12.841 -99.200 -91.000 PHE 167 1.000 -20.081 -11.100 17.233 -99.200 -91.000 PHE 168 1.000 -12.742 -16.013 17.944 -99.200 -91.000 TYR 171 0.840 -10.953 -7.745 10.254 -99.200 -91.000 TYR 179 0.840 5.545 -12.326 8.955 -99.200 -91.000 PHE 180 1.000 -1.323 -11.138 14.115 -99.200 -91.000 PHE 189 1.000 14.341 -9.636 18.930 -99.200 -91.000 HIS 205 0.900 11.145 -5.066 5.609 -99.200 -91.000 PHE 206 1.000 10.963 -6.004 14.558 -99.200 -91.000 TRP 222 1.040 -9.794 -15.349 22.774 -99.200 -91.000 TRP6 222 1.020 -8.445 -14.736 24.615 -99.200 -91.000 PHE 257 1.000 -2.633 2.507 8.546 -99.200 -91.000 HIS 259 0.900 -8.831 -2.846 1.599 -99.200 -91.000 PHE 262 1.000 -5.407 -8.885 9.556 -99.200 -91.000 PHE 270 1.000 7.495 -6.377 2.045 -99.200 -91.000 TYR 284 0.840 19.549 -8.449 15.930 -99.200 -91.000 PHE 289 1.000 10.859 -11.650 17.032 -99.200 -91.000 PHE 296 1.000 -4.122 -14.013 21.148 -99.200 -91.000 TYR 299 0.840 -3.629 -9.602 24.978 -99.200 -91.000