============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 51.543 31.179 -1.893 -99.200 -91.000 PHE 18 1.000 36.298 20.227 -9.525 -99.200 -91.000 TYR 24 0.840 33.011 15.702 -20.127 -99.200 -91.000 PHE 39 1.000 38.713 -5.371 -15.435 -99.200 -91.000 TYR 58 0.840 36.911 -6.480 -10.490 -99.200 -91.000 TYR 59 0.840 43.725 -3.653 -5.985 -99.200 -91.000 TRP 64 1.040 37.625 10.500 -17.311 -99.200 -91.000 TRP6 64 1.020 37.439 8.987 -15.500 -99.200 -91.000 TRP 71 1.040 46.659 22.780 -12.983 -99.200 -91.000 TRP6 71 1.020 45.657 20.701 -12.484 -99.200 -91.000 TYR 76 0.840 45.532 27.532 -11.049 -99.200 -91.000 PHE 82 1.000 42.171 18.527 -8.717 -99.200 -91.000 TRP 90 1.040 30.618 11.805 -17.163 -99.200 -91.000 TRP6 90 1.020 32.196 10.346 -18.144 -99.200 -91.000 TYR 97 0.840 28.096 -4.921 -21.115 -99.200 -91.000 HIS 115 0.900 50.770 18.924 -15.386 -99.200 -91.000 PHE 121 1.000 36.568 5.714 -9.456 -99.200 -91.000 PHE 129 1.000 32.656 -13.612 -13.126 -99.200 -91.000 PHE 148 1.000 34.279 -5.966 -15.779 -99.200 -91.000 TRP 151 1.040 22.889 -0.325 -18.393 -99.200 -91.000 TRP6 151 1.020 23.195 -2.668 -18.524 -99.200 -91.000 TYR 153 0.840 27.474 8.238 -22.209 -99.200 -91.000 PHE 156 1.000 29.320 6.281 -34.606 -99.200 -91.000 TYR 172 0.840 44.992 -15.166 -7.604 -99.200 -91.000 TYR 173 0.840 45.687 -14.978 -0.019 -99.200 -91.000 TYR 178 0.840 38.611 -21.895 -6.212 -99.200 -91.000 HIS 191 0.900 29.984 -2.218 -36.188 -99.200 -91.000 TYR 192 0.840 24.524 -5.587 -30.782 -99.200 -91.000 TYR 199 0.840 25.813 -0.231 -29.500 -99.200 -91.000 PHE 208 1.000 38.122 -20.303 -11.773 -99.200 -91.000