============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 1 0.900 19.523 -19.801 -41.714 -99.200 -91.000 TRP 27 1.040 21.077 -1.422 -23.033 -99.200 -91.000 TRP6 27 1.020 20.213 -3.629 -23.010 -99.200 -91.000 TYR 31 0.840 11.101 -2.065 -17.527 -99.200 -91.000 PHE 54 1.000 19.795 16.489 -10.261 -99.200 -91.000 TYR 60 0.840 22.489 13.497 -13.248 -99.200 -91.000 PHE 70 1.000 23.370 14.686 -21.714 -99.200 -91.000 PHE 85 1.000 9.426 -11.734 -20.844 -99.200 -91.000 TYR 102 0.840 8.153 -12.721 -12.633 -99.200 -91.000 PHE 108 1.000 13.710 -24.542 -16.578 -99.200 -91.000 HIS 111 0.900 6.235 -22.989 -16.912 -99.200 -91.000 HIS 118 0.900 5.244 -29.148 -33.115 -99.200 -91.000 TYR 121 0.840 6.492 -21.907 -24.926 -99.200 -91.000 HIS 132 0.900 22.168 -12.495 -12.453 -99.200 -91.000 PHE 134 1.000 19.087 -16.856 -14.593 -99.200 -91.000 TYR 146 0.840 20.757 -21.813 -27.412 -99.200 -91.000 TRP 165 1.040 25.605 -14.895 -21.325 -99.200 -91.000 TRP6 165 1.020 26.757 -16.359 -19.844 -99.200 -91.000 PHE 187 1.000 21.880 -23.296 -6.243 -99.200 -91.000 HIS 210 0.900 39.782 -22.757 -9.661 -99.200 -91.000 HIS 218 0.900 18.639 -14.529 1.900 -99.200 -91.000 PHE 225 1.000 10.005 -21.060 -13.130 -99.200 -91.000 HIS 228 0.900 4.307 -13.572 -23.618 -99.200 -91.000 TYR 230 0.840 11.280 -16.363 -28.522 -99.200 -91.000 PHE 232 1.000 14.572 -16.685 -34.754 -99.200 -91.000 PHE 235 1.000 15.089 -11.861 -30.711 -99.200 -91.000 TYR 241 0.840 11.962 0.910 -34.982 -99.200 -91.000