============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 40.301 2.654 66.058 -99.200 -91.000 PHE 8 1.000 35.730 12.251 66.055 -99.200 -91.000 HIS 19 0.900 30.604 32.618 77.515 -99.200 -91.000 PHE 21 1.000 31.061 27.845 72.595 -99.200 -91.000 TYR 32 0.840 33.831 0.879 56.029 -99.200 -91.000 PHE 50 1.000 26.807 27.350 75.631 -99.200 -91.000 TRP 52 1.040 28.492 18.788 75.965 -99.200 -91.000 TRP6 52 1.020 30.573 19.855 75.585 -99.200 -91.000 PHE 59 1.000 31.877 19.277 70.149 -99.200 -91.000 TYR 63 0.840 33.917 7.583 62.642 -99.200 -91.000 HIS 66 0.900 25.040 5.416 54.904 -99.200 -91.000 TYR 73 0.840 27.219 13.466 49.042 -99.200 -91.000 PHE 78 1.000 36.236 11.817 54.435 -99.200 -91.000 PHE 82 1.000 31.288 14.889 55.369 -99.200 -91.000 TRP 84 1.040 29.054 18.503 59.400 -99.200 -91.000 TRP6 84 1.020 27.874 19.662 61.089 -99.200 -91.000 PHE 90 1.000 18.028 24.863 69.899 -99.200 -91.000 PHE 109 1.000 37.327 9.857 58.840 -99.200 -91.000 TYR 111 0.840 35.090 14.881 62.133 -99.200 -91.000 PHE 115 1.000 26.642 26.058 68.252 -99.200 -91.000 PHE 120 1.000 19.793 29.104 71.940 -99.200 -91.000 TRP 134 1.040 20.789 16.139 71.805 -99.200 -91.000 TRP6 134 1.020 19.422 17.835 70.856 -99.200 -91.000 TYR 142 0.840 15.618 16.448 51.004 -99.200 -91.000 HIS 153 0.900 9.825 17.367 62.760 -99.200 -91.000 HIS 163 0.900 10.244 14.492 75.500 -99.200 -91.000 TYR 164 0.840 14.547 23.920 74.213 -99.200 -91.000 PHE 168 1.000 19.764 18.931 65.372 -99.200 -91.000 TYR 172 0.840 24.382 15.660 56.143 -99.200 -91.000 TYR 183 0.840 11.886 10.818 51.303 -99.200 -91.000 TYR 184 0.840 19.993 7.625 53.373 -99.200 -91.000 TYR 185 0.840 12.725 8.043 56.615 -99.200 -91.000 HIS 195 0.900 28.776 15.180 83.807 -99.200 -91.000 TYR 199 0.840 27.768 18.419 81.941 -99.200 -91.000 TYR 205 0.840 28.229 4.362 71.684 -99.200 -91.000 HIS 212 0.900 16.276 1.275 50.888 -99.200 -91.000 HIS 213 0.900 8.470 4.138 55.810 -99.200 -91.000 PHE 215 1.000 4.847 0.755 57.296 -99.200 -91.000