============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.633 12.781 28.721 -99.200 -91.000 TYR 11 0.840 7.672 31.473 21.294 -99.200 -91.000 TRP 14 1.040 18.588 29.026 19.244 -99.200 -91.000 TRP6 14 1.020 17.095 30.808 18.798 -99.200 -91.000 TRP 37 1.040 18.262 17.811 19.145 -99.200 -91.000 TRP6 37 1.020 18.987 19.005 21.056 -99.200 -91.000 TRP 51 1.040 17.303 26.040 29.791 -99.200 -91.000 TRP6 51 1.020 18.995 24.520 30.463 -99.200 -91.000 TYR 57 0.840 19.793 37.803 17.853 -99.200 -91.000 PHE 58 1.000 23.431 30.602 20.733 -99.200 -91.000 PHE 80 1.000 21.275 22.559 36.050 -99.200 -91.000 PHE 90 1.000 15.984 15.030 32.432 -99.200 -91.000 TYR 95 0.840 18.726 4.041 45.558 -99.200 -91.000 TYR 99 0.840 11.664 8.683 41.747 -99.200 -91.000 PHE 108 1.000 5.589 29.810 31.781 -99.200 -91.000 PHE 114 1.000 9.969 15.603 31.665 -99.200 -91.000 PHE 152 1.000 11.072 41.229 45.209 -99.200 -91.000 TYR 157 0.840 10.078 36.445 48.214 -99.200 -91.000 TYR 169 0.840 6.235 38.618 44.655 -99.200 -91.000 PHE 172 1.000 1.681 34.578 38.328 -99.200 -91.000 PHE 173 1.000 6.086 32.042 39.071 -99.200 -91.000 PHE 181 1.000 8.501 20.126 42.975 -99.200 -91.000 TYR 183 0.840 6.703 26.755 48.834 -99.200 -91.000 TYR 199 0.840 10.776 10.214 30.811 -99.200 -91.000 PHE 203 1.000 10.830 23.471 24.854 -99.200 -91.000