============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 79.362 26.651 39.770 -99.200 -91.000 HIS 30 0.900 84.152 -4.588 26.471 -99.200 -91.000 TYR 36 0.840 82.887 0.962 25.481 -99.200 -91.000 TYR 38 0.840 81.157 7.129 25.057 -99.200 -91.000 TRP 39 1.040 85.171 13.941 28.812 -99.200 -91.000 TRP6 39 1.020 84.795 15.042 30.862 -99.200 -91.000 TYR 40 0.840 77.554 12.577 25.989 -99.200 -91.000 TYR 53 0.840 84.589 8.630 19.472 -99.200 -91.000 PHE 66 1.000 86.125 21.800 23.330 -99.200 -91.000 PHE 75 1.000 87.611 8.111 33.099 -99.200 -91.000 TYR 90 0.840 82.599 21.745 28.686 -99.200 -91.000 TYR 91 0.840 75.390 17.709 32.178 -99.200 -91.000 HIS 98 0.900 72.583 -1.337 29.404 -99.200 -91.000 PHE 102 1.000 74.715 10.898 30.744 -99.200 -91.000 PHE 122 1.000 64.693 48.931 44.042 -99.200 -91.000 PHE 139 1.000 66.313 44.022 41.725 -99.200 -91.000 PHE 143 1.000 76.619 38.975 43.253 -99.200 -91.000 TYR 144 0.840 84.639 36.611 39.511 -99.200 -91.000 TRP 152 1.040 65.842 40.587 52.998 -99.200 -91.000 TRP6 152 1.020 65.063 42.692 52.283 -99.200 -91.000 TRP 167 1.040 71.879 33.433 44.389 -99.200 -91.000 TRP6 167 1.020 70.425 32.062 45.658 -99.200 -91.000 TYR 177 0.840 79.023 34.250 38.765 -99.200 -91.000 TYR 190 0.840 55.856 47.928 54.468 -99.200 -91.000 HIS 193 0.900 58.208 45.233 63.370 -99.200 -91.000 TYR 196 0.840 60.286 46.955 56.640 -99.200 -91.000 HIS 202 0.900 81.605 39.845 46.784 -99.200 -91.000 PHE 213 1.000 62.173 50.110 52.873 -99.200 -91.000