============================================================================= 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. PHE 7 1.000 10.243 -21.168 56.514 -99.200 -91.000 PHE 27 1.000 9.194 -14.056 47.614 -99.200 -91.000 PHE 32 1.000 11.353 -16.893 42.382 -99.200 -91.000 PHE 39 1.000 -1.836 -15.606 60.565 -99.200 -91.000 HIS 46 0.900 8.734 -24.832 64.610 -99.200 -91.000 HIS 50 0.900 13.646 -20.581 61.077 -99.200 -91.000 TYR 51 0.840 15.600 -17.224 63.514 -99.200 -91.000 PHE 59 1.000 21.883 -12.171 65.905 -99.200 -91.000 PHE 60 1.000 18.986 -18.558 69.775 -99.200 -91.000 TYR 66 0.840 10.897 -9.705 65.625 -99.200 -91.000 TRP 77 1.040 6.930 -17.978 48.124 -99.200 -91.000 TRP6 77 1.020 5.288 -17.298 46.556 -99.200 -91.000 PHE 107 1.000 6.641 -2.578 51.518 -99.200 -91.000 HIS 117 0.900 14.606 -17.135 57.684 -99.200 -91.000 TRP 132 1.040 9.595 -23.057 60.087 -99.200 -91.000 TRP6 132 1.020 8.378 -21.463 61.348 -99.200 -91.000 PHE 133 1.000 5.164 -24.969 55.285 -99.200 -91.000 TYR 141 0.840 0.358 -24.822 42.287 -99.200 -91.000 HIS 146 0.900 7.360 -24.226 34.709 -99.200 -91.000 TRP 148 1.040 3.603 -18.291 27.670 -99.200 -91.000 TRP6 148 1.020 4.448 -17.781 25.524 -99.200 -91.000 TYR 150 0.840 11.188 -21.384 35.336 -99.200 -91.000