============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 4 0.840 10.831 -63.731 1.720 -99.200 -91.000 TYR 12 0.840 19.519 -60.430 6.910 -99.200 -91.000 PHE 26 1.000 12.666 -61.846 14.368 -99.200 -91.000 HIS 58 0.900 22.679 -36.217 10.900 -99.200 -91.000 PHE 67 1.000 21.212 -54.178 -3.626 -99.200 -91.000 PHE 68 1.000 20.914 -60.467 0.865 -99.200 -91.000 TYR 73 0.840 16.978 -54.089 -7.959 -99.200 -91.000 TYR 74 0.840 14.245 -59.605 -1.560 -99.200 -91.000 PHE 86 1.000 -0.106 -41.729 6.261 -99.200 -91.000 TYR 103 0.840 8.445 -36.782 16.855 -99.200 -91.000 PHE 104 1.000 10.479 -28.581 10.515 -99.200 -91.000 TYR 105 0.840 17.612 -29.591 16.804 -99.200 -91.000 TYR 113 0.840 25.228 -35.997 6.852 -99.200 -91.000 HIS 115 0.900 19.089 -29.498 1.257 -99.200 -91.000 HIS 121 0.900 13.813 -37.991 0.613 -99.200 -91.000 PHE 145 1.000 17.928 -40.613 1.862 -99.200 -91.000 HIS 147 0.900 10.757 -41.066 -6.289 -99.200 -91.000 TYR 165 0.840 28.232 -20.002 -32.831 -99.200 -91.000 TYR 179 0.840 19.135 -20.460 -4.649 -99.200 -91.000 TRP 186 1.040 6.291 -26.858 -1.108 -99.200 -91.000 TRP6 186 1.020 5.335 -24.701 -1.169 -99.200 -91.000 PHE 193 1.000 -0.838 -25.891 7.135 -99.200 -91.000 TYR 199 0.840 -5.551 -27.532 8.455 -99.200 -91.000 PHE 202 1.000 -0.128 -25.455 -0.142 -99.200 -91.000 HIS 205 0.900 -12.562 -31.642 3.344 -99.200 -91.000 TYR 220 0.840 -0.585 -20.566 4.551 -99.200 -91.000 PHE 222 1.000 -4.416 -19.256 9.836 -99.200 -91.000 TRP 227 1.040 -3.104 -23.405 11.455 -99.200 -91.000 TRP6 227 1.020 -0.808 -23.952 11.519 -99.200 -91.000 PHE 250 1.000 13.652 -18.612 7.338 -99.200 -91.000 HIS 258 0.900 11.289 -19.035 13.104 -99.200 -91.000 TRP 260 1.040 8.324 -23.565 17.104 -99.200 -91.000 TRP6 260 1.020 8.397 -25.602 15.906 -99.200 -91.000 PHE 270 1.000 19.284 -34.714 18.208 -99.200 -91.000