============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 12 1.000 9.260 75.310 -5.569 -99.200 -91.000 TYR 18 0.840 2.554 75.049 4.855 -99.200 -91.000 PHE 33 1.000 1.169 52.737 4.436 -99.200 -91.000 TYR 52 0.840 6.200 50.711 3.617 -99.200 -91.000 TYR 53 0.840 4.277 51.862 -4.996 -99.200 -91.000 TRP 58 1.040 1.163 68.261 1.227 -99.200 -91.000 TRP6 58 1.020 2.690 66.481 0.879 -99.200 -91.000 TRP 65 1.040 0.885 76.796 -11.914 -99.200 -91.000 TRP6 65 1.020 1.512 74.893 -10.667 -99.200 -91.000 TYR 70 0.840 3.644 81.062 -13.746 -99.200 -91.000 PHE 76 1.000 6.212 72.478 -10.028 -99.200 -91.000 TRP 84 1.040 5.776 71.123 5.857 -99.200 -91.000 TRP6 84 1.020 3.913 69.673 5.788 -99.200 -91.000 TYR 91 0.840 2.781 57.097 15.487 -99.200 -91.000 HIS 109 0.900 -4.374 73.872 -12.069 -99.200 -91.000 PHE 115 1.000 7.841 62.321 -0.890 -99.200 -91.000 PHE 123 1.000 5.902 45.459 10.881 -99.200 -91.000 PHE 142 1.000 3.440 53.170 8.355 -99.200 -91.000 TRP 145 1.040 8.163 61.676 16.843 -99.200 -91.000 TRP6 145 1.020 7.770 59.449 17.497 -99.200 -91.000 TYR 147 0.840 3.141 69.657 12.398 -99.200 -91.000 PHE 150 1.000 -7.571 69.949 18.275 -99.200 -91.000 TYR 166 0.840 3.264 40.391 -1.191 -99.200 -91.000 TYR 167 0.840 9.166 38.375 -5.509 -99.200 -91.000 TYR 172 0.840 7.578 35.177 5.106 -99.200 -91.000 HIS 185 0.900 -7.419 61.323 23.024 -99.200 -91.000 TYR 189 0.840 -0.389 64.089 19.134 -99.200 -91.000 PHE 198 1.000 3.368 38.157 8.075 -99.200 -91.000