============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 15 0.840 72.634 14.547 8.894 -99.200 -91.000 TYR 21 0.840 62.752 22.310 14.693 -99.200 -91.000 PHE 51 1.000 65.132 6.978 1.798 -99.200 -91.000 TRP 54 1.040 59.178 0.349 -2.652 -99.200 -91.000 TRP6 54 1.020 58.113 0.530 -0.538 -99.200 -91.000 PHE 63 1.000 59.165 14.979 -2.226 -99.200 -91.000 TYR 65 0.840 58.424 21.090 -4.394 -99.200 -91.000 TYR 78 0.840 62.888 11.439 -0.583 -99.200 -91.000 TRP 83 1.040 74.617 14.084 4.395 -99.200 -91.000 TRP6 83 1.020 76.013 14.517 2.539 -99.200 -91.000 TYR 85 0.840 69.270 3.877 3.386 -99.200 -91.000 TYR 86 0.840 71.473 6.126 -0.421 -99.200 -91.000 PHE 94 1.000 52.896 21.734 -10.160 -99.200 -91.000 HIS 97 0.900 45.915 20.830 -10.612 -99.200 -91.000 PHE 101 1.000 46.836 31.930 -5.561 -99.200 -91.000 PHE 107 1.000 58.790 27.934 -3.141 -99.200 -91.000 TYR 115 0.840 65.303 22.894 -2.055 -99.200 -91.000 TYR 120 0.840 55.625 14.111 -16.295 -99.200 -91.000 PHE 134 1.000 50.601 11.380 -9.422 -99.200 -91.000 PHE 137 1.000 55.636 10.123 -12.683 -99.200 -91.000 PHE 141 1.000 59.674 10.104 -15.648 -99.200 -91.000 HIS 153 0.900 46.589 10.639 9.386 -99.200 -91.000 PHE 157 1.000 39.299 14.343 -1.015 -99.200 -91.000 HIS 160 0.900 38.792 6.930 6.589 -99.200 -91.000 TRP 171 1.040 45.124 7.577 -7.995 -99.200 -91.000 TRP6 171 1.020 46.868 9.070 -7.492 -99.200 -91.000 PHE 174 1.000 51.710 6.071 -7.361 -99.200 -91.000 TYR 175 0.840 53.564 -0.920 -1.610 -99.200 -91.000 HIS 182 0.900 54.316 12.045 11.662 -99.200 -91.000 TRP 183 1.040 55.628 16.306 10.261 -99.200 -91.000 TRP6 183 1.020 57.177 18.066 10.529 -99.200 -91.000 TRP 189 1.040 52.239 28.013 9.916 -99.200 -91.000 TRP6 189 1.020 52.422 28.618 7.650 -99.200 -91.000 PHE 191 1.000 62.283 21.078 9.407 -99.200 -91.000 TYR 194 0.840 66.350 26.041 13.207 -99.200 -91.000 TYR 203 0.840 52.395 29.095 2.232 -99.200 -91.000 TYR 205 0.840 52.745 39.890 0.039 -99.200 -91.000 PHE 207 1.000 46.777 34.303 -0.644 -99.200 -91.000 HIS 221 0.900 39.031 32.391 11.247 -99.200 -91.000 PHE 235 1.000 54.930 28.872 14.644 -99.200 -91.000 TRP 237 1.040 64.817 30.402 20.372 -99.200 -91.000 TRP6 237 1.020 65.807 28.786 18.967 -99.200 -91.000 TYR 243 0.840 71.484 25.458 9.198 -99.200 -91.000 HIS 245 0.900 70.632 28.884 4.418 -99.200 -91.000 HIS 268 0.900 41.271 48.663 -2.157 -99.200 -91.000 TYR 271 0.840 43.902 39.488 4.732 -99.200 -91.000 TYR 272 0.840 48.280 39.818 12.918 -99.200 -91.000 TRP 275 1.040 55.034 33.585 9.928 -99.200 -91.000 TRP6 275 1.020 55.514 33.818 7.620 -99.200 -91.000 TYR 276 0.840 51.785 36.702 13.432 -99.200 -91.000