============================================================================= 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. PHE 27 1.000 40.959 -23.093 6.949 -99.200 -91.000 PHE 29 1.000 39.139 -29.357 7.278 -99.200 -91.000 TYR 32 0.840 45.068 -23.751 10.150 -99.200 -91.000 TYR 33 0.840 45.112 -29.765 17.232 -99.200 -91.000 TRP 36 1.040 31.922 -28.909 15.349 -99.200 -91.000 TRP6 36 1.020 30.332 -27.743 14.049 -99.200 -91.000 TRP 47 1.040 36.452 -26.653 22.811 -99.200 -91.000 TRP6 47 1.020 37.123 -28.730 23.704 -99.200 -91.000 PHE 50 1.000 40.979 -30.651 20.766 -99.200 -91.000 TYR 58 0.840 43.600 -35.811 9.475 -99.200 -91.000 TYR 62 0.840 33.721 -36.013 21.046 -99.200 -91.000 PHE 70 1.000 26.095 -33.084 21.163 -99.200 -91.000 TYR 82 0.840 30.750 -33.473 7.537 -99.200 -91.000 TYR 96 0.840 25.060 -26.700 18.878 -99.200 -91.000 TYR 97 0.840 28.989 -18.978 17.359 -99.200 -91.000 PHE 105 1.000 52.129 -26.771 22.721 -99.200 -91.000 TYR 112 0.840 40.902 -16.218 10.394 -99.200 -91.000 TRP 113 1.040 35.825 -17.936 16.906 -99.200 -91.000 TRP6 113 1.020 34.633 -18.975 18.660 -99.200 -91.000 TYR 132 0.840 1.735 -9.278 7.759 -99.200 -91.000 TYR 147 0.840 9.917 -15.968 13.629 -99.200 -91.000 PHE 148 1.000 9.205 -22.883 18.025 -99.200 -91.000 TRP 156 1.040 16.275 -3.342 6.705 -99.200 -91.000 TRP6 156 1.020 13.990 -2.955 6.261 -99.200 -91.000 HIS 166 0.900 18.339 1.058 15.377 -99.200 -91.000 PHE 168 1.000 13.519 -2.566 17.238 -99.200 -91.000 TYR 177 0.840 10.657 -17.629 19.248 -99.200 -91.000 TRP 190 1.040 10.947 4.687 0.728 -99.200 -91.000 TRP6 190 1.020 8.884 5.317 1.687 -99.200 -91.000 HIS 201 0.900 11.405 -19.904 10.016 -99.200 -91.000