============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 -13.651 7.289 -12.381 -99.200 -91.000 PHE 27 1.000 -21.261 -3.502 -7.721 -99.200 -91.000 PHE 30 1.000 -18.357 7.383 -6.329 -99.200 -91.000 TRP 31 1.040 -14.342 2.171 -0.919 -99.200 -91.000 TRP6 31 1.020 -12.833 1.748 0.856 -99.200 -91.000 TRP 34 1.040 -17.123 7.304 7.143 -99.200 -91.000 TRP6 34 1.020 -15.737 8.365 5.611 -99.200 -91.000 PHE 42 1.000 -15.894 -2.399 0.644 -99.200 -91.000 TYR 44 0.840 -23.147 -9.595 2.193 -99.200 -91.000 TYR 49 0.840 -13.499 -8.652 -9.168 -99.200 -91.000 HIS 51 0.900 -21.125 -16.305 -11.479 -99.200 -91.000 PHE 52 1.000 -22.046 -11.779 -11.798 -99.200 -91.000 HIS 72 0.900 -1.531 -1.770 3.771 -99.200 -91.000 PHE 74 1.000 -12.315 -1.046 4.657 -99.200 -91.000 TYR 78 0.840 -12.344 -4.368 8.171 -99.200 -91.000 PHE 82 1.000 -13.669 -5.155 -3.866 -99.200 -91.000 TYR 96 0.840 -19.546 9.067 -11.506 -99.200 -91.000 PHE 105 1.000 -23.234 6.818 -9.412 -99.200 -91.000 HIS 127 0.900 -26.129 -13.801 -9.302 -99.200 -91.000 TYR 129 0.840 -28.198 -3.955 -7.481 -99.200 -91.000