============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 -19.129 -1.827 5.642 -99.200 -91.000 TYR 11 0.840 -34.547 -1.601 7.661 -99.200 -91.000 TYR 12 0.840 -32.737 1.321 1.177 -99.200 -91.000 PHE 23 1.000 -15.610 -11.122 -9.636 -99.200 -91.000 TYR 38 0.840 -31.447 7.026 -1.302 -99.200 -91.000 PHE 42 1.000 -28.022 -5.489 -4.354 -99.200 -91.000 HIS 72 0.900 -17.784 19.225 -6.123 -99.200 -91.000 HIS 79 0.900 -29.558 7.499 2.535 -99.200 -91.000 TYR 82 0.840 -29.048 -1.572 4.777 -99.200 -91.000 PHE 101 1.000 -19.833 3.426 -24.081 -99.200 -91.000 PHE 103 1.000 -25.666 13.599 -24.103 -99.200 -91.000 PHE 118 1.000 -21.614 16.346 -21.375 -99.200 -91.000 TYR 127 0.840 -9.669 22.819 -7.068 -99.200 -91.000 TYR 128 0.840 -15.160 17.240 -2.709 -99.200 -91.000 HIS 130 0.900 -6.662 14.854 -8.765 -99.200 -91.000 HIS 136 0.900 -12.894 7.709 -10.533 -99.200 -91.000 PHE 137 1.000 -4.822 5.909 -8.843 -99.200 -91.000 PHE 161 1.000 -15.567 8.215 -6.191 -99.200 -91.000 HIS 165 0.900 -6.024 2.492 -4.214 -99.200 -91.000 PHE 169 1.000 3.551 7.995 2.861 -99.200 -91.000 PHE 173 1.000 5.634 -0.010 -6.765 -99.200 -91.000 PHE 177 1.000 -2.709 -1.976 -16.327 -99.200 -91.000 PHE 182 1.000 -11.352 5.623 -21.617 -99.200 -91.000 TYR 190 0.840 2.246 -3.715 -14.380 -99.200 -91.000 TRP 200 1.040 -3.038 9.112 -20.160 -99.200 -91.000 TRP6 200 1.020 -1.095 9.477 -21.451 -99.200 -91.000 TYR 207 0.840 -7.831 12.153 -29.850 -99.200 -91.000 PHE 216 1.000 -2.716 7.592 -26.048 -99.200 -91.000 TYR 233 0.840 -1.767 12.470 -28.469 -99.200 -91.000 PHE 235 1.000 -4.468 16.739 -30.852 -99.200 -91.000 TYR 239 0.840 -10.788 11.049 -35.911 -99.200 -91.000 PHE 240 1.000 -8.991 15.847 -32.659 -99.200 -91.000 PHE 250 1.000 -8.034 20.774 -20.996 -99.200 -91.000 HIS 271 0.900 -5.289 25.163 -21.831 -99.200 -91.000 TRP 273 1.040 -10.932 24.560 -25.207 -99.200 -91.000 TRP6 273 1.020 -11.404 22.332 -24.558 -99.200 -91.000 PHE 279 1.000 -2.413 -9.085 -17.642 -99.200 -91.000