============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 11 1.000 6.755 33.840 -22.853 -99.200 -91.000 TRP 14 1.040 3.510 42.116 -31.180 -99.200 -91.000 TRP6 14 1.020 2.125 43.364 -29.716 -99.200 -91.000 HIS 15 0.900 -3.026 34.953 -29.517 -99.200 -91.000 TYR 18 0.840 -4.321 38.658 -38.461 -99.200 -91.000 HIS 20 0.900 -8.667 33.179 -44.363 -99.200 -91.000 PHE 30 1.000 -4.875 33.496 -40.086 -99.200 -91.000 TYR 33 0.840 4.916 34.141 -30.299 -99.200 -91.000 TYR 48 0.840 1.753 26.858 -41.874 -99.200 -91.000 TRP 49 1.040 -1.165 22.888 -32.605 -99.200 -91.000 TRP6 49 1.020 0.115 21.120 -31.723 -99.200 -91.000 PHE 60 1.000 0.671 25.003 -29.973 -99.200 -91.000 TYR 94 0.840 -16.561 13.370 -29.133 -99.200 -91.000 PHE 102 1.000 -11.401 12.807 -37.872 -99.200 -91.000 TYR 103 0.840 -6.755 19.016 -39.395 -99.200 -91.000 TRP 111 1.040 -20.877 15.548 -44.239 -99.200 -91.000 TRP6 111 1.020 -21.119 16.660 -42.169 -99.200 -91.000 HIS 114 0.900 -19.731 25.703 -47.003 -99.200 -91.000 TYR 115 0.840 -17.349 20.089 -42.606 -99.200 -91.000 TYR 117 0.840 -4.381 17.258 -48.548 -99.200 -91.000 TYR 119 0.840 -7.981 27.336 -44.121 -99.200 -91.000 PHE 131 1.000 0.382 37.363 -40.538 -99.200 -91.000 HIS 142 0.900 -3.767 16.408 -28.492 -99.200 -91.000 HIS 146 0.900 -5.883 12.226 -40.085 -99.200 -91.000 TYR 159 0.840 3.989 21.033 -44.869 -99.200 -91.000 PHE 165 1.000 3.336 17.250 -28.222 -99.200 -91.000 TRP 176 1.040 -12.744 9.630 -31.830 -99.200 -91.000 TRP6 176 1.020 -10.844 10.280 -30.554 -99.200 -91.000 PHE 181 1.000 -10.478 9.018 -42.722 -99.200 -91.000 TYR 184 0.840 -16.148 14.929 -42.399 -99.200 -91.000 TRP 192 1.040 -12.712 5.811 -46.127 -99.200 -91.000 TRP6 192 1.020 -13.374 4.503 -44.262 -99.200 -91.000 TYR 195 0.840 -8.052 12.343 -47.416 -99.200 -91.000 TYR 206 0.840 12.874 7.557 -45.875 -99.200 -91.000 PHE 219 1.000 -9.867 9.859 -25.778 -99.200 -91.000 TYR 238 0.840 8.939 8.596 -42.590 -99.200 -91.000 HIS 245 0.900 7.253 11.064 -23.568 -99.200 -91.000 TYR 248 0.840 4.200 13.335 -18.869 -99.200 -91.000 HIS 250 0.900 -5.894 12.683 -26.607 -99.200 -91.000 TYR 252 0.840 -3.566 21.508 -26.271 -99.200 -91.000 TYR 253 0.840 -2.940 20.613 -17.100 -99.200 -91.000 PHE 254 1.000 2.006 13.708 -24.090 -99.200 -91.000 PHE 258 1.000 7.270 14.934 -22.415 -99.200 -91.000 HIS 262 0.900 6.677 17.407 -30.430 -99.200 -91.000 PHE 265 1.000 11.910 16.486 -35.240 -99.200 -91.000 HIS 266 0.900 8.501 20.528 -36.003 -99.200 -91.000 TYR 269 0.840 15.249 17.893 -39.119 -99.200 -91.000