============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 37 0.840 44.300 17.212 50.135 -99.200 -91.000 HIS 47 0.900 44.138 14.682 38.496 -99.200 -91.000 PHE 48 1.000 38.372 20.888 44.981 -99.200 -91.000 PHE 68 1.000 49.700 36.544 50.944 -99.200 -91.000 TYR 72 0.840 54.401 39.880 49.899 -99.200 -91.000 HIS 87 0.900 46.991 38.938 46.864 -99.200 -91.000 PHE 117 1.000 36.628 42.415 37.804 -99.200 -91.000 PHE 123 1.000 40.730 39.057 31.208 -99.200 -91.000 TYR 154 0.840 28.505 40.139 32.933 -99.200 -91.000 PHE 199 1.000 23.614 28.840 33.603 -99.200 -91.000 TRP 202 1.040 23.522 37.236 31.048 -99.200 -91.000 TRP6 202 1.020 25.762 36.553 30.720 -99.200 -91.000 TYR 206 0.840 27.822 41.311 28.322 -99.200 -91.000 HIS 212 0.900 27.752 48.953 21.269 -99.200 -91.000 TYR 222 0.840 35.679 23.725 32.255 -99.200 -91.000 TYR 239 0.840 26.488 38.288 19.138 -99.200 -91.000 TYR 240 0.840 36.718 38.365 20.894 -99.200 -91.000 HIS 242 0.900 41.070 39.210 17.293 -99.200 -91.000 HIS 256 0.900 33.827 29.380 48.989 -99.200 -91.000 PHE 262 1.000 28.000 30.554 32.756 -99.200 -91.000 TYR 267 0.840 33.300 45.556 26.786 -99.200 -91.000