============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 6 0.840 99.935 31.620 31.276 -99.200 -91.000 PHE 14 1.000 85.880 39.881 40.040 -99.200 -91.000 PHE 17 1.000 79.084 35.425 30.034 -99.200 -91.000 PHE 29 1.000 70.544 30.080 36.369 -99.200 -91.000 TYR 33 0.840 75.071 28.596 39.278 -99.200 -91.000 HIS 34 0.900 75.919 20.859 40.834 -99.200 -91.000 TYR 35 0.840 76.058 24.614 43.473 -99.200 -91.000 PHE 72 1.000 92.724 32.613 34.467 -99.200 -91.000 TYR 94 0.840 94.669 16.579 38.926 -99.200 -91.000 PHE 99 1.000 91.470 20.109 35.660 -99.200 -91.000 PHE 101 1.000 86.895 23.423 40.488 -99.200 -91.000 TYR 104 0.840 73.037 29.429 46.139 -99.200 -91.000 PHE 105 1.000 80.040 32.874 47.442 -99.200 -91.000 TYR 109 0.840 79.683 33.171 52.284 -99.200 -91.000 HIS 124 0.900 77.852 14.216 36.236 -99.200 -91.000 PHE 128 1.000 89.641 15.310 35.437 -99.200 -91.000 TYR 133 0.840 82.992 11.891 46.392 -99.200 -91.000 TRP 146 1.040 88.927 15.101 53.250 -99.200 -91.000 TRP6 146 1.020 88.338 13.221 51.931 -99.200 -91.000 HIS 147 0.900 89.385 13.041 56.694 -99.200 -91.000 TRP 154 1.040 82.260 28.700 56.301 -99.200 -91.000 TRP6 154 1.020 83.499 29.700 54.539 -99.200 -91.000 PHE 161 1.000 84.964 30.747 45.998 -99.200 -91.000 TYR 178 0.840 96.703 4.707 44.746 -99.200 -91.000 PHE 179 1.000 100.652 7.051 46.963 -99.200 -91.000 TYR 184 0.840 93.561 3.482 48.470 -99.200 -91.000 TYR 200 0.840 93.779 8.243 41.071 -99.200 -91.000 TRP 211 1.040 86.569 14.223 29.568 -99.200 -91.000 TRP6 211 1.020 84.733 14.628 28.128 -99.200 -91.000 PHE 223 1.000 85.686 30.726 33.672 -99.200 -91.000 HIS 228 0.900 91.806 33.025 21.100 -99.200 -91.000 HIS 230 0.900 96.178 27.499 30.083 -99.200 -91.000 PHE 231 1.000 94.203 24.660 26.974 -99.200 -91.000 TYR 232 0.840 98.909 32.151 20.106 -99.200 -91.000 TRP 244 1.040 102.034 13.948 31.089 -99.200 -91.000 TRP6 244 1.020 99.992 15.044 31.546 -99.200 -91.000 TYR 251 0.840 106.064 2.263 33.677 -99.200 -91.000 HIS 259 0.900 91.181 1.520 27.857 -99.200 -91.000 HIS 260 0.900 94.723 4.425 32.024 -99.200 -91.000 HIS 267 0.900 91.521 11.445 24.849 -99.200 -91.000