============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 10.031 15.839 5.227 -99.200 -91.000 TRP6 9 1.020 9.107 15.228 3.159 -99.200 -91.000 TYR 10 0.840 5.659 12.220 11.173 -99.200 -91.000 PHE 17 1.000 14.824 14.846 7.496 -99.200 -91.000 TYR 31 0.840 16.221 10.651 11.813 -99.200 -91.000 TYR 42 0.840 20.090 11.174 19.032 -99.200 -91.000 TYR 48 0.840 18.030 22.630 -0.565 -99.200 -91.000 TRP 63 1.040 19.325 13.556 7.214 -99.200 -91.000 TRP6 63 1.020 17.839 13.012 5.474 -99.200 -91.000 TRP 67 1.040 22.871 7.667 15.043 -99.200 -91.000 TRP6 67 1.020 20.618 8.357 14.998 -99.200 -91.000 TYR 71 0.840 18.410 14.023 27.254 -99.200 -91.000 HIS 75 0.900 30.666 6.253 22.147 -99.200 -91.000 TRP 80 1.040 18.654 8.598 6.618 -99.200 -91.000 TRP6 80 1.020 19.433 9.285 8.755 -99.200 -91.000 TYR 84 0.840 10.820 17.522 -2.174 -99.200 -91.000 TRP 96 1.040 19.289 3.775 6.361 -99.200 -91.000 TRP6 96 1.020 20.336 2.143 7.724 -99.200 -91.000 TRP 108 1.040 35.329 -7.815 10.364 -99.200 -91.000 TRP6 108 1.020 33.306 -8.931 9.892 -99.200 -91.000 HIS 115 0.900 15.149 -0.196 1.730 -99.200 -91.000 PHE 118 1.000 13.261 9.680 6.266 -99.200 -91.000