============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 19 1.000 -21.918 3.559 20.092 -99.200 -91.000 PHE 29 1.000 -9.911 0.540 15.781 -99.200 -91.000 TYR 41 0.840 1.261 8.810 11.420 -99.200 -91.000 TYR 54 0.840 0.130 -6.719 13.814 -99.200 -91.000 HIS 58 0.900 0.935 -15.733 19.377 -99.200 -91.000 TRP 64 1.040 0.046 -4.032 29.732 -99.200 -91.000 TRP6 64 1.020 -2.293 -4.377 29.989 -99.200 -91.000 TRP 71 1.040 -8.496 -0.577 25.246 -99.200 -91.000 TRP6 71 1.020 -7.184 -1.421 27.038 -99.200 -91.000 HIS 72 0.900 -6.914 9.247 23.152 -99.200 -91.000 HIS 73 0.900 -7.498 5.442 16.145 -99.200 -91.000 PHE 75 1.000 -12.989 4.193 25.435 -99.200 -91.000 TYR 76 0.840 -11.279 10.589 23.883 -99.200 -91.000 HIS 86 0.900 -21.108 6.118 25.627 -99.200 -91.000 PHE 109 1.000 -14.093 1.029 36.790 -99.200 -91.000 PHE 112 1.000 -8.661 5.190 27.916 -99.200 -91.000 TYR 118 0.840 -18.775 -8.778 33.373 -99.200 -91.000 TYR 128 0.840 -23.006 -16.125 27.879 -99.200 -91.000 HIS 146 0.900 -7.159 -19.590 23.340 -99.200 -91.000 TYR 151 0.840 -22.345 -27.771 33.066 -99.200 -91.000 TYR 154 0.840 -19.358 -20.730 36.542 -99.200 -91.000 HIS 158 0.900 -10.804 -28.975 33.725 -99.200 -91.000 TYR 173 0.840 1.384 -23.781 4.140 -99.200 -91.000 TYR 183 0.840 1.345 -16.442 -9.250 -99.200 -91.000 PHE 185 1.000 1.532 -12.122 -4.298 -99.200 -91.000 TYR 203 0.840 -11.653 -25.469 -1.791 -99.200 -91.000 PHE 208 1.000 -4.514 -31.901 1.708 -99.200 -91.000 TYR 225 0.840 -6.675 -11.283 -5.314 -99.200 -91.000 PHE 240 1.000 -7.065 -28.639 -2.242 -99.200 -91.000 PHE 247 1.000 -9.619 -29.131 9.690 -99.200 -91.000 PHE 251 1.000 -0.416 -29.761 5.058 -99.200 -91.000 HIS 260 0.900 -8.363 -33.217 13.084 -99.200 -91.000 TYR 264 0.840 -11.579 -37.664 21.061 -99.200 -91.000 TYR 279 0.840 -18.156 -35.447 21.466 -99.200 -91.000 TYR 291 0.840 -9.752 -20.366 5.852 -99.200 -91.000 TYR 322 0.840 -17.538 -8.291 12.027 -99.200 -91.000 TRP 325 1.040 -18.765 -5.553 19.039 -99.200 -91.000 TRP6 325 1.020 -21.037 -5.088 18.503 -99.200 -91.000 PHE 337 1.000 -23.113 -7.433 31.574 -99.200 -91.000 TRP 341 1.040 -23.175 -2.697 33.185 -99.200 -91.000 TRP6 341 1.020 -21.709 -2.782 31.329 -99.200 -91.000 TYR 347 0.840 -10.608 0.835 39.998 -99.200 -91.000 HIS 356 0.900 -8.646 -11.078 39.510 -99.200 -91.000 PHE 360 1.000 -18.732 -15.001 38.896 -99.200 -91.000