============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 15 1.000 9.364 71.518 33.772 -99.200 -91.000 PHE 30 1.000 3.002 69.494 46.584 -99.200 -91.000 PHE 45 1.000 -7.743 69.331 44.963 -99.200 -91.000 HIS 49 0.900 7.562 72.179 46.509 -99.200 -91.000 HIS 62 0.900 -8.413 57.434 48.731 -99.200 -91.000 HIS 81 0.900 11.743 62.959 37.935 -99.200 -91.000 TYR 87 0.840 5.711 69.929 19.968 -99.200 -91.000 PHE 91 1.000 7.057 63.072 37.270 -99.200 -91.000 TYR 92 0.840 7.372 71.016 38.553 -99.200 -91.000 PHE 95 1.000 3.557 63.606 47.076 -99.200 -91.000 TYR 96 0.840 -0.109 55.433 48.870 -99.200 -91.000 HIS 107 0.900 -2.048 75.963 36.472 -99.200 -91.000 TYR 141 0.840 10.045 63.310 23.810 -99.200 -91.000 HIS 146 0.900 11.183 59.111 26.896 -99.200 -91.000 HIS 150 0.900 -1.805 59.991 25.611 -99.200 -91.000 PHE 171 1.000 3.222 60.984 28.717 -99.200 -91.000 TYR 188 0.840 -13.133 61.115 23.162 -99.200 -91.000 HIS 198 0.900 -5.487 43.634 14.020 -99.200 -91.000 TYR 199 0.840 -3.876 48.055 22.655 -99.200 -91.000 TRP 206 1.040 -10.831 55.825 16.591 -99.200 -91.000 TRP6 206 1.020 -12.233 55.358 14.766 -99.200 -91.000 TYR 220 0.840 -18.249 60.637 21.137 -99.200 -91.000 PHE 234 1.000 -20.374 73.418 11.338 -99.200 -91.000 PHE 241 1.000 -25.600 49.649 27.263 -99.200 -91.000 TYR 246 0.840 -23.283 54.507 14.888 -99.200 -91.000 PHE 260 1.000 -15.001 71.966 9.724 -99.200 -91.000 PHE 264 1.000 -9.746 69.727 10.273 -99.200 -91.000 PHE 267 1.000 -4.256 65.388 10.067 -99.200 -91.000 HIS 288 0.900 -3.204 65.103 4.965 -99.200 -91.000 PHE 290 1.000 -5.301 70.282 9.012 -99.200 -91.000 PHE 301 1.000 -3.512 77.354 21.040 -99.200 -91.000 TRP 304 1.040 -9.354 80.913 18.694 -99.200 -91.000 TRP6 304 1.020 -9.447 78.999 20.084 -99.200 -91.000