============================================================================= 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 3 0.900 -123.674 -57.754 84.816 -99.200 -91.000 PHE 12 1.000 -131.516 -47.467 80.257 -99.200 -91.000 PHE 14 1.000 -133.466 -38.128 78.043 -99.200 -91.000 TYR 30 0.840 -137.123 -16.771 75.383 -99.200 -91.000 PHE 36 1.000 -136.375 -24.296 88.764 -99.200 -91.000 HIS 82 0.900 -129.775 -31.467 96.947 -99.200 -91.000 PHE 107 1.000 -147.792 -30.469 75.549 -99.200 -91.000 PHE 125 1.000 -148.452 -34.776 76.383 -99.200 -91.000 PHE 129 1.000 -137.351 -34.835 85.117 -99.200 -91.000 TYR 130 0.840 -138.787 -34.467 79.726 -99.200 -91.000 PHE 133 1.000 -132.490 -31.792 81.446 -99.200 -91.000 HIS 145 0.900 -142.599 -48.286 94.103 -99.200 -91.000 HIS 151 0.900 -132.232 -48.973 91.384 -99.200 -91.000 TRP 153 1.040 -133.435 -40.668 84.639 -99.200 -91.000 TRP6 153 1.020 -133.283 -38.353 84.158 -99.200 -91.000 PHE 160 1.000 -132.799 -42.452 80.288 -99.200 -91.000 TYR 188 0.840 -134.216 -19.853 89.540 -99.200 -91.000 TYR 201 0.840 -143.919 -21.167 91.202 -99.200 -91.000 PHE 204 1.000 -154.374 -21.758 95.407 -99.200 -91.000 PHE 207 1.000 -149.896 -34.425 99.760 -99.200 -91.000 TYR 210 0.840 -142.237 -28.571 106.483 -99.200 -91.000 TRP 212 1.040 -131.249 -26.618 106.141 -99.200 -91.000 TRP6 212 1.020 -132.029 -27.860 107.999 -99.200 -91.000 TRP 220 1.040 -128.236 -22.774 108.590 -99.200 -91.000 TRP6 220 1.020 -128.766 -22.096 106.390 -99.200 -91.000 TRP 222 1.040 -136.423 -29.728 107.405 -99.200 -91.000 TRP6 222 1.020 -135.661 -29.637 105.168 -99.200 -91.000