============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 20.613 -3.968 -29.602 -99.200 -91.000 HIS 11 0.900 24.727 -6.556 -25.001 -99.200 -91.000 PHE 17 1.000 25.399 -14.876 -30.240 -99.200 -91.000 TYR 42 0.840 20.895 -1.119 -21.900 -99.200 -91.000 PHE 46 1.000 11.720 3.639 -23.166 -99.200 -91.000 PHE 65 1.000 0.972 8.831 -10.604 -99.200 -91.000 TYR 67 0.840 2.760 4.647 -15.040 -99.200 -91.000 HIS 72 0.900 -8.166 3.517 -19.595 -99.200 -91.000 TYR 75 0.840 -3.783 5.562 -26.231 -99.200 -91.000 PHE 99 1.000 9.133 -7.064 -27.581 -99.200 -91.000 PHE 101 1.000 14.644 -10.648 -23.977 -99.200 -91.000 TYR 104 0.840 20.825 -8.028 -18.083 -99.200 -91.000 TRP 105 1.040 18.885 -11.015 -11.766 -99.200 -91.000 TRP6 105 1.020 19.987 -12.806 -10.687 -99.200 -91.000 PHE 106 1.000 15.605 -18.656 -14.477 -99.200 -91.000 TRP 115 1.040 9.624 -0.167 -25.701 -99.200 -91.000 TRP6 115 1.020 7.981 -1.703 -26.473 -99.200 -91.000 PHE 124 1.000 -0.266 1.372 -28.397 -99.200 -91.000 PHE 126 1.000 -3.974 -3.246 -20.442 -99.200 -91.000 PHE 131 1.000 -8.592 -9.309 -20.064 -99.200 -91.000 TYR 132 0.840 -4.663 -13.425 -21.190 -99.200 -91.000 TYR 155 0.840 18.068 -21.499 -19.022 -99.200 -91.000 TYR 166 0.840 9.330 -25.420 -16.482 -99.200 -91.000 PHE 167 1.000 13.715 -18.339 -20.079 -99.200 -91.000 TRP 169 1.040 2.657 -18.011 -17.299 -99.200 -91.000 TRP6 169 1.020 1.056 -18.974 -18.739 -99.200 -91.000 HIS 173 0.900 -1.220 -16.596 -21.120 -99.200 -91.000 HIS 177 0.900 -2.739 -15.445 -25.554 -99.200 -91.000 PHE 178 1.000 -3.828 -8.505 -20.091 -99.200 -91.000 PHE 181 1.000 2.279 -7.618 -29.792 -99.200 -91.000 PHE 190 1.000 18.972 -22.635 -24.831 -99.200 -91.000 TRP 207 1.040 18.044 -13.692 -35.485 -99.200 -91.000 TRP6 207 1.020 15.742 -14.021 -35.060 -99.200 -91.000 TRP 215 1.040 7.808 -11.755 -43.406 -99.200 -91.000 TRP6 215 1.020 6.811 -10.358 -41.798 -99.200 -91.000 HIS 225 0.900 -0.014 -29.544 -23.345 -99.200 -91.000 TRP 226 1.040 4.346 -24.072 -26.962 -99.200 -91.000 TRP6 226 1.020 6.067 -22.594 -26.197 -99.200 -91.000 HIS 227 0.900 4.094 -20.467 -22.387 -99.200 -91.000 PHE 228 1.000 3.981 -22.917 -17.110 -99.200 -91.000