============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 7 0.840 0.234 21.136 24.128 -99.200 -91.000 TRP 12 1.040 14.686 18.887 19.989 -99.200 -91.000 TRP6 12 1.020 13.459 18.081 21.849 -99.200 -91.000 PHE 20 1.000 12.704 19.139 26.253 -99.200 -91.000 HIS 24 0.900 12.255 16.406 31.096 -99.200 -91.000 TRP 31 1.040 -0.846 11.364 27.892 -99.200 -91.000 TRP6 31 1.020 -2.685 12.632 28.638 -99.200 -91.000 PHE 43 1.000 11.819 7.985 28.318 -99.200 -91.000 TYR 44 0.840 19.520 7.523 31.316 -99.200 -91.000 HIS 56 0.900 12.407 1.972 28.748 -99.200 -91.000 PHE 58 1.000 12.322 3.752 23.696 -99.200 -91.000 HIS 63 0.900 4.181 2.200 20.008 -99.200 -91.000 PHE 66 1.000 0.628 9.452 22.684 -99.200 -91.000 TRP 72 1.040 9.059 13.234 38.862 -99.200 -91.000 TRP6 72 1.020 9.656 15.505 38.667 -99.200 -91.000 HIS 73 0.900 10.415 12.424 30.663 -99.200 -91.000 PHE 88 1.000 6.173 19.305 24.485 -99.200 -91.000 TYR 89 0.840 0.622 14.078 20.079 -99.200 -91.000 TYR 95 0.840 -5.578 22.405 19.831 -99.200 -91.000 PHE 96 1.000 -9.088 25.842 20.643 -99.200 -91.000 TYR 100 0.840 -4.014 29.266 19.838 -99.200 -91.000 HIS 106 0.900 -17.268 27.339 33.795 -99.200 -91.000 TYR 134 0.840 -14.493 21.148 24.177 -99.200 -91.000 TYR 140 0.840 -20.993 20.662 19.505 -99.200 -91.000 TRP 145 1.040 -23.497 37.049 18.288 -99.200 -91.000 TRP6 145 1.020 -25.834 36.841 18.513 -99.200 -91.000 HIS 147 0.900 -18.029 44.287 26.743 -99.200 -91.000 PHE 154 1.000 -7.086 34.563 21.961 -99.200 -91.000 TYR 171 0.840 -26.296 41.034 21.051 -99.200 -91.000 TYR 182 0.840 -28.360 30.864 17.335 -99.200 -91.000 PHE 184 1.000 -24.883 23.708 24.211 -99.200 -91.000 PHE 191 1.000 -26.885 35.169 32.524 -99.200 -91.000 PHE 192 1.000 -18.002 41.134 34.237 -99.200 -91.000 HIS 207 0.900 -34.995 34.377 18.763 -99.200 -91.000 TYR 213 0.840 -29.820 19.318 24.950 -99.200 -91.000 PHE 230 1.000 -18.738 39.341 40.016 -99.200 -91.000 PHE 232 1.000 -28.781 38.625 37.459 -99.200 -91.000 PHE 234 1.000 -29.221 33.832 37.326 -99.200 -91.000 TYR 242 0.840 -35.388 34.459 35.096 -99.200 -91.000 TYR 243 0.840 -33.617 28.555 31.281 -99.200 -91.000 TRP 246 1.040 -37.034 25.565 28.570 -99.200 -91.000 TRP6 246 1.020 -35.125 25.926 27.237 -99.200 -91.000 PHE 248 1.000 -34.691 22.888 35.506 -99.200 -91.000 TYR 251 0.840 -30.809 24.974 39.356 -99.200 -91.000 HIS 258 0.900 -10.600 30.014 35.947 -99.200 -91.000 PHE 270 1.000 -19.169 30.787 40.421 -99.200 -91.000