============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 8 1.040 27.973 -21.840 -2.032 -99.200 -91.000 TRP6 8 1.020 28.558 -19.585 -1.676 -99.200 -91.000 TYR 23 0.840 22.530 -21.020 8.793 -99.200 -91.000 TYR 24 0.840 28.542 -23.816 13.920 -99.200 -91.000 TYR 25 0.840 20.208 -22.680 12.487 -99.200 -91.000 TYR 36 0.840 3.774 -10.193 3.085 -99.200 -91.000 HIS 46 0.900 9.957 -28.795 -1.549 -99.200 -91.000 PHE 49 1.000 8.862 -23.593 0.852 -99.200 -91.000 TYR 59 0.840 -0.863 -8.637 -8.213 -99.200 -91.000 TYR 60 0.840 1.163 -13.204 -13.581 -99.200 -91.000 TYR 61 0.840 -4.435 -16.271 -17.064 -99.200 -91.000 HIS 69 0.900 13.467 -16.283 -9.718 -99.200 -91.000 HIS 72 0.900 16.963 -21.802 -5.843 -99.200 -91.000 TYR 82 0.840 17.572 -27.571 0.420 -99.200 -91.000 PHE 91 1.000 2.437 -14.197 5.472 -99.200 -91.000 TYR 104 0.840 9.972 -2.489 -14.407 -99.200 -91.000 PHE 113 1.000 -1.572 -8.695 -1.169 -99.200 -91.000 TYR 137 0.840 15.651 5.177 -12.790 -99.200 -91.000 TYR 169 0.840 20.540 -3.080 -14.892 -99.200 -91.000 TYR 186 0.840 36.480 -21.749 -4.622 -99.200 -91.000 PHE 192 1.000 25.542 -14.210 -11.236 -99.200 -91.000 TYR 195 0.840 29.817 -2.957 -11.703 -99.200 -91.000 PHE 202 1.000 28.701 -7.556 -3.629 -99.200 -91.000 TRP 212 1.040 12.695 -26.019 -9.985 -99.200 -91.000 TRP6 212 1.020 13.649 -23.879 -10.235 -99.200 -91.000 HIS 229 0.900 21.900 -17.186 0.515 -99.200 -91.000 TYR 236 0.840 19.669 -15.560 13.004 -99.200 -91.000 TYR 251 0.840 22.546 -5.719 13.577 -99.200 -91.000 PHE 266 1.000 36.473 4.762 -6.592 -99.200 -91.000 TYR 274 0.840 29.937 -13.139 10.705 -99.200 -91.000 TYR 277 0.840 24.962 -19.208 16.891 -99.200 -91.000