============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 13 1.000 0.616 2.781 -11.716 -99.200 -91.000 PHE 15 1.000 -2.985 -0.018 -1.130 -99.200 -91.000 HIS 23 0.900 0.156 -10.184 -1.124 -99.200 -91.000 PHE 48 1.000 3.793 -21.936 -3.949 -99.200 -91.000 PHE 49 1.000 3.549 -19.700 -8.481 -99.200 -91.000 PHE 65 1.000 7.591 -14.878 -17.402 -99.200 -91.000 HIS 69 0.900 20.728 -19.300 -16.659 -99.200 -91.000 TRP 74 1.040 4.341 -23.204 -13.706 -99.200 -91.000 TRP6 74 1.020 3.422 -21.201 -12.849 -99.200 -91.000 PHE 81 1.000 -8.396 -13.705 -21.011 -99.200 -91.000 TYR 82 0.840 -4.217 -11.064 -19.841 -99.200 -91.000 TRP 102 1.040 6.234 -2.971 -9.579 -99.200 -91.000 TRP6 102 1.020 4.928 -4.787 -10.346 -99.200 -91.000 HIS 103 0.900 12.390 -3.583 -15.315 -99.200 -91.000 HIS 115 0.900 1.285 -0.021 -24.003 -99.200 -91.000 TYR 133 0.840 16.526 -14.148 -11.247 -99.200 -91.000 TYR 135 0.840 11.228 -12.769 -15.258 -99.200 -91.000 PHE 144 1.000 -14.613 -1.245 -15.125 -99.200 -91.000 TYR 178 0.840 -17.664 12.828 -19.510 -99.200 -91.000 TYR 182 0.840 -14.545 16.526 -24.003 -99.200 -91.000 HIS 185 0.900 -8.561 12.231 -29.860 -99.200 -91.000 PHE 193 1.000 -19.536 17.410 -19.049 -99.200 -91.000 PHE 199 1.000 1.405 12.219 -19.737 -99.200 -91.000 TYR 208 0.840 4.360 4.069 -22.639 -99.200 -91.000 TYR 212 0.840 -6.069 11.647 -21.342 -99.200 -91.000