============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 2 1.000 119.726 56.192 2.420 -99.200 -91.000 TYR 9 0.840 116.971 50.532 19.614 -99.200 -91.000 TYR 11 0.840 115.602 59.302 20.175 -99.200 -91.000 PHE 22 1.000 97.485 50.751 9.972 -99.200 -91.000 PHE 42 1.000 108.406 27.087 -25.153 -99.200 -91.000 TRP 74 1.040 96.819 32.037 -21.781 -99.200 -91.000 TRP6 74 1.020 97.775 31.291 -23.813 -99.200 -91.000 PHE 85 1.000 110.148 32.751 -27.488 -99.200 -91.000 TYR 101 0.840 113.576 34.982 -45.968 -99.200 -91.000 PHE 118 1.000 91.500 35.497 -28.513 -99.200 -91.000 PHE 132 1.000 112.690 30.289 -37.977 -99.200 -91.000 HIS 135 0.900 123.894 26.588 -38.497 -99.200 -91.000 TYR 146 0.840 132.493 35.067 -35.473 -99.200 -91.000 HIS 163 0.900 108.485 37.676 -37.124 -99.200 -91.000 HIS 193 0.900 105.565 47.220 -42.016 -99.200 -91.000 TYR 201 0.840 114.844 38.489 -26.344 -99.200 -91.000 TYR 205 0.840 124.518 39.269 -18.531 -99.200 -91.000 TYR 209 0.840 120.363 30.133 -13.874 -99.200 -91.000 TYR 210 0.840 119.799 31.744 -21.977 -99.200 -91.000 PHE 213 1.000 113.490 29.024 -25.946 -99.200 -91.000 TYR 225 0.840 126.186 33.995 -30.642 -99.200 -91.000 HIS 237 0.900 129.893 51.067 -22.451 -99.200 -91.000 TYR 257 0.840 122.578 37.146 -15.475 -99.200 -91.000 PHE 268 1.000 121.261 53.280 -20.568 -99.200 -91.000 PHE 273 1.000 108.895 45.624 -21.370 -99.200 -91.000 TYR 275 0.840 112.075 34.950 -21.861 -99.200 -91.000 TYR 281 0.840 107.422 26.870 -15.453 -99.200 -91.000 HIS 284 0.900 111.757 30.058 -8.864 -99.200 -91.000 TRP 292 1.040 112.377 19.155 -1.848 -99.200 -91.000 TRP6 292 1.020 114.101 18.914 -3.452 -99.200 -91.000 PHE 305 1.000 112.052 38.644 -12.584 -99.200 -91.000 TYR 316 0.840 108.930 30.106 -20.326 -99.200 -91.000 PHE 317 1.000 106.482 29.826 -12.194 -99.200 -91.000