============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 11 0.840 46.260 -5.970 -2.327 -99.200 -91.000 HIS 17 0.900 47.249 -10.506 8.373 -99.200 -91.000 TYR 22 0.840 39.108 -15.385 1.222 -99.200 -91.000 TRP 23 1.040 43.415 -19.556 3.751 -99.200 -91.000 TRP6 23 1.020 44.566 -21.572 4.168 -99.200 -91.000 TYR 25 0.840 42.193 -25.040 -3.216 -99.200 -91.000 HIS 28 0.900 32.825 -24.293 -0.478 -99.200 -91.000 TRP 32 1.040 26.485 -30.183 -5.670 -99.200 -91.000 TRP6 32 1.020 28.187 -29.690 -7.233 -99.200 -91.000 TYR 38 0.840 19.835 -22.085 -13.104 -99.200 -91.000 TYR 49 0.840 41.880 -26.496 -19.717 -99.200 -91.000 PHE 53 1.000 26.112 -25.402 -23.818 -99.200 -91.000 PHE 112 1.000 30.820 -18.354 -14.786 -99.200 -91.000 HIS 114 0.900 23.648 -11.928 -21.230 -99.200 -91.000 PHE 120 1.000 40.166 -5.996 -24.545 -99.200 -91.000 TYR 124 0.840 43.969 -7.914 -28.451 -99.200 -91.000 TYR 130 0.840 38.554 8.235 -23.600 -99.200 -91.000 PHE 134 1.000 36.047 2.947 -20.156 -99.200 -91.000 TYR 135 0.840 36.706 -1.094 -23.309 -99.200 -91.000 TYR 137 0.840 41.426 3.298 -13.661 -99.200 -91.000 TYR 145 0.840 37.095 -7.489 -5.199 -99.200 -91.000 HIS 147 0.900 46.752 -9.148 -8.628 -99.200 -91.000 HIS 153 0.900 42.545 -14.810 -14.714 -99.200 -91.000 HIS 159 0.900 41.102 -16.107 -27.641 -99.200 -91.000 HIS 165 0.900 32.760 -1.138 -28.895 -99.200 -91.000 HIS 167 0.900 24.721 -2.635 -22.591 -99.200 -91.000 TRP 175 1.040 37.924 -15.498 -12.633 -99.200 -91.000 TRP6 175 1.020 39.422 -14.092 -11.492 -99.200 -91.000 PHE 180 1.000 41.840 -18.991 -2.394 -99.200 -91.000 TYR 181 0.840 51.697 -14.519 -2.311 -99.200 -91.000 HIS 182 0.900 47.631 -19.751 0.638 -99.200 -91.000 TYR 187 0.840 51.279 -20.446 -5.352 -99.200 -91.000 TYR 195 0.840 51.657 -16.497 -28.666 -99.200 -91.000 PHE 196 1.000 48.852 -12.766 -23.737 -99.200 -91.000 TYR 205 0.840 61.400 -17.875 -7.637 -99.200 -91.000 TYR 208 0.840 53.602 -18.610 -10.007 -99.200 -91.000 TYR 210 0.840 48.652 -11.326 -4.580 -99.200 -91.000 TRP 215 1.040 55.381 -11.098 -18.793 -99.200 -91.000 TRP6 215 1.020 57.454 -10.023 -19.113 -99.200 -91.000 PHE 226 1.000 54.811 -0.985 -28.926 -99.200 -91.000 PHE 231 1.000 56.034 -6.184 -27.932 -99.200 -91.000 PHE 232 1.000 57.648 -9.621 -24.913 -99.200 -91.000 HIS 233 0.900 54.286 -15.941 -33.065 -99.200 -91.000 HIS 235 0.900 57.754 -19.190 -33.644 -99.200 -91.000 TYR 238 0.840 63.727 -24.804 -23.295 -99.200 -91.000 TYR 254 0.840 72.270 -14.452 -19.137 -99.200 -91.000 TYR 256 0.840 63.478 -13.205 -12.443 -99.200 -91.000 TYR 260 0.840 63.937 -13.423 -7.088 -99.200 -91.000 PHE 268 1.000 66.492 -21.109 -22.512 -99.200 -91.000 HIS 275 0.900 69.612 -12.178 -27.875 -99.200 -91.000 TRP 280 1.040 59.556 0.419 -24.768 -99.200 -91.000 TRP6 280 1.020 58.913 -1.849 -24.727 -99.200 -91.000 PHE 283 1.000 59.668 -3.752 -30.381 -99.200 -91.000 HIS 285 0.900 56.453 -1.022 -37.192 -99.200 -91.000 HIS 290 0.900