============================================================================= 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. TYR 13 0.840 -44.262 -5.562 17.942 -99.200 -91.000 TYR 16 0.840 -38.897 -10.175 4.000 -99.200 -91.000 TYR 24 0.840 -28.363 -17.228 1.265 -99.200 -91.000 PHE 29 1.000 -37.793 -13.175 7.894 -99.200 -91.000 TYR 32 0.840 -39.594 -6.864 21.891 -99.200 -91.000 PHE 46 1.000 -35.825 -22.084 20.871 -99.200 -91.000 TYR 48 0.840 -34.193 -19.057 16.058 -99.200 -91.000 TYR 58 0.840 -51.019 -9.784 14.496 -99.200 -91.000 TRP 67 1.040 -59.419 -21.039 16.105 -99.200 -91.000 TRP6 67 1.020 -59.097 -18.984 17.231 -99.200 -91.000 HIS 77 0.900 -50.007 -30.264 16.731 -99.200 -91.000 TYR 90 0.840 -63.060 -17.555 27.670 -99.200 -91.000 PHE 98 1.000 -51.654 -16.949 23.542 -99.200 -91.000 PHE 102 1.000 -43.609 -10.937 23.525 -99.200 -91.000 TYR 111 0.840 -56.632 15.381 19.992 -99.200 -91.000 TYR 131 0.840 -64.856 9.701 20.092 -99.200 -91.000 PHE 142 1.000 -62.323 -2.423 25.347 -99.200 -91.000 PHE 143 1.000 -63.451 1.924 22.441 -99.200 -91.000 TYR 151 0.840 -63.962 2.598 28.152 -99.200 -91.000 TRP 155 1.040 -69.976 -0.057 19.018 -99.200 -91.000 TRP6 155 1.020 -68.443 -0.236 17.226 -99.200 -91.000 PHE 157 1.000 -68.307 10.804 17.309 -99.200 -91.000 TYR 182 0.840 -59.511 9.875 13.659 -99.200 -91.000 TYR 193 0.840 -42.122 1.981 15.660 -99.200 -91.000 TYR 213 0.840 -48.436 -7.203 21.803 -99.200 -91.000 TYR 223 0.840 -39.759 -26.848 22.874 -99.200 -91.000 HIS 241 0.900 -35.709 -0.019 29.983 -99.200 -91.000 TRP 247 1.040 -35.758 -3.841 17.877 -99.200 -91.000 TRP6 247 1.020 -35.073 -3.658 15.618 -99.200 -91.000 TRP 248 1.040 -42.045 0.745 20.880 -99.200 -91.000 TRP6 248 1.020 -41.819 -1.569 20.427 -99.200 -91.000