============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 18 0.840 -21.325 22.713 -27.175 -99.200 -91.000 TYR 21 0.840 -18.575 33.017 -24.751 -99.200 -91.000 PHE 30 1.000 -0.537 42.657 -33.667 -99.200 -91.000 TYR 45 0.840 2.692 19.875 -25.113 -99.200 -91.000 TYR 47 0.840 -0.246 26.935 -30.368 -99.200 -91.000 PHE 60 1.000 -15.661 29.244 -21.440 -99.200 -91.000 TYR 76 0.840 -17.821 28.178 -14.265 -99.200 -91.000 PHE 78 1.000 -11.919 27.468 -18.956 -99.200 -91.000 PHE 80 1.000 -8.977 24.406 -26.903 -99.200 -91.000 TRP 92 1.040 -8.821 23.962 -22.188 -99.200 -91.000 TRP6 92 1.020 -8.072 26.146 -21.708 -99.200 -91.000 PHE 105 1.000 5.544 23.613 -19.912 -99.200 -91.000 TYR 113 0.840 -6.643 7.048 -25.250 -99.200 -91.000 PHE 114 1.000 -15.251 7.165 -24.134 -99.200 -91.000 TYR 115 0.840 -10.600 4.966 -22.273 -99.200 -91.000 PHE 119 1.000 -13.874 17.187 -15.525 -99.200 -91.000 TRP 121 1.040 -13.359 20.556 -11.537 -99.200 -91.000 TRP6 121 1.020 -15.528 20.778 -12.463 -99.200 -91.000 PHE 122 1.000 -8.175 24.552 -16.517 -99.200 -91.000 TYR 133 0.840 -12.605 38.369 -16.755 -99.200 -91.000 PHE 142 1.000 -19.827 23.176 -6.921 -99.200 -91.000 PHE 153 1.000 5.685 27.847 -17.813 -99.200 -91.000 HIS 167 0.900 0.279 39.786 -16.055 -99.200 -91.000 PHE 168 1.000 -1.983 33.744 -21.756 -99.200 -91.000 PHE 172 1.000 -13.098 33.812 -20.664 -99.200 -91.000 PHE 175 1.000 -16.155 29.768 -33.602 -99.200 -91.000