============================================================================= 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. PHE 1 1.000 126.149 82.995 -63.386 -99.200 -91.000 PHE 4 1.000 128.322 91.386 -58.618 -99.200 -91.000 TYR 27 0.840 114.962 70.734 -45.249 -99.200 -91.000 TYR 43 0.840 117.547 61.151 -28.577 -99.200 -91.000 TYR 47 0.840 114.476 55.627 -22.984 -99.200 -91.000 TYR 49 0.840 119.710 48.540 -30.484 -99.200 -91.000 HIS 50 0.900 121.519 53.682 -22.140 -99.200 -91.000 PHE 53 1.000 124.210 48.842 -19.895 -99.200 -91.000 TYR 55 0.840 116.868 40.546 -19.364 -99.200 -91.000 PHE 56 1.000 120.384 40.375 -22.912 -99.200 -91.000 PHE 69 1.000 125.332 44.309 -30.680 -99.200 -91.000 PHE 70 1.000 121.382 43.994 -27.275 -99.200 -91.000 HIS 80 0.900 123.372 55.353 -36.510 -99.200 -91.000 TYR 87 0.840 120.363 66.984 -44.281 -99.200 -91.000 PHE 107 1.000 114.527 43.669 -23.692 -99.200 -91.000 HIS 109 0.900 110.593 33.549 -26.242 -99.200 -91.000 HIS 117 0.900 112.145 37.834 -27.022 -99.200 -91.000 HIS 137 0.900 115.962 57.753 -51.293 -99.200 -91.000 PHE 151 1.000 122.179 63.428 -43.912 -99.200 -91.000 TYR 156 0.840 121.424 58.569 -41.137 -99.200 -91.000 TYR 170 0.840 126.378 40.008 -33.584 -99.200 -91.000 HIS 181 0.900 130.130 25.256 -22.776 -99.200 -91.000 TRP 184 1.040 129.547 32.051 -20.073 -99.200 -91.000 TRP6 184 1.020 131.677 31.143 -20.549 -99.200 -91.000 HIS 185 0.900 132.815 29.248 -26.938 -99.200 -91.000 PHE 186 1.000 126.640 35.383 -30.231 -99.200 -91.000 HIS 192 0.900 137.108 38.581 -24.407 -99.200 -91.000