============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 22.192 -9.631 -11.171 -99.200 -91.000 HIS 23 0.900 13.582 -18.390 4.325 -99.200 -91.000 TYR 26 0.840 16.725 -5.622 0.283 -99.200 -91.000 PHE 27 1.000 19.692 -12.041 -4.270 -99.200 -91.000 HIS 30 0.900 29.859 -6.833 -6.693 -99.200 -91.000 TYR 38 0.840 43.051 -16.245 -14.893 -99.200 -91.000 PHE 42 1.000 48.677 -10.032 -18.162 -99.200 -91.000 PHE 60 1.000 21.464 -7.424 -16.058 -99.200 -91.000 TYR 62 0.840 25.262 -1.722 -25.098 -99.200 -91.000 TRP 67 1.040 34.056 -3.808 -13.945 -99.200 -91.000 TRP6 67 1.020 33.761 -2.573 -11.935 -99.200 -91.000 HIS 77 0.900 40.254 -6.821 -31.510 -99.200 -91.000 PHE 89 1.000 28.207 -15.514 -11.151 -99.200 -91.000 PHE 90 1.000 20.131 -14.384 -9.555 -99.200 -91.000 HIS 94 0.900 30.121 -16.788 4.174 -99.200 -91.000 TYR 95 0.840 21.680 -22.789 4.357 -99.200 -91.000 TYR 105 0.840 27.231 -21.279 -13.092 -99.200 -91.000 TYR 106 0.840 18.295 -18.232 -13.457 -99.200 -91.000 TYR 124 0.840 42.854 -8.708 -29.831 -99.200 -91.000 HIS 132 0.900 43.798 -17.804 -18.753 -99.200 -91.000 TYR 149 0.840 39.939 -28.060 -29.157 -99.200 -91.000 PHE 152 1.000 44.566 -22.415 -25.531 -99.200 -91.000 PHE 160 1.000 42.105 -25.155 -19.940 -99.200 -91.000 TRP 169 1.040 32.633 -29.598 -17.707 -99.200 -91.000 TRP6 169 1.020 34.087 -29.381 -19.560 -99.200 -91.000 PHE 185 1.000 45.397 -26.527 -29.304 -99.200 -91.000 HIS 186 0.900 54.485 -27.102 -24.001 -99.200 -91.000 PHE 189 1.000 52.772 -18.795 -17.479 -99.200 -91.000 PHE 213 1.000 47.156 -31.668 -14.613 -99.200 -91.000 TYR 216 0.840 49.160 -33.811 -20.845 -99.200 -91.000 TYR 232 0.840 54.289 -28.628 -8.149 -99.200 -91.000 TYR 233 0.840 60.230 -22.279 -10.511 -99.200 -91.000 TYR 238 0.840 57.861 -20.096 -3.018 -99.200 -91.000 TYR 239 0.840 52.617 -23.992 1.319 -99.200 -91.000 TYR 243 0.840 49.457 -13.779 3.731 -99.200 -91.000 PHE 261 1.000 52.764 -17.588 -11.455 -99.200 -91.000 TYR 265 0.840 56.831 -15.989 -17.014 -99.200 -91.000 TYR 266 0.840 54.005 -13.191 -19.968 -99.200 -91.000 PHE 269 1.000 57.136 -8.480 -9.350 -99.200 -91.000 TYR 277 0.840 54.894 -8.718 -4.827 -99.200 -91.000 PHE 304 1.000 48.621 -9.049 2.676 -99.200 -91.000