============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 -44.426 20.868 -15.279 -99.200 -91.000 PHE 5 1.000 -39.856 22.585 -13.008 -99.200 -91.000 PHE 7 1.000 -35.205 20.718 -9.218 -99.200 -91.000 PHE 21 1.000 -35.472 34.104 -10.887 -99.200 -91.000 TYR 69 0.840 -36.634 24.687 -2.554 -99.200 -91.000 TYR 72 0.840 -40.277 23.238 -7.334 -99.200 -91.000 TRP 75 1.040 -42.870 26.019 -11.885 -99.200 -91.000 TRP6 75 1.020 -43.001 26.362 -14.200 -99.200 -91.000 HIS 89 0.900 -24.842 15.196 -13.422 -99.200 -91.000 TYR 94 0.840 -27.818 15.318 -1.437 -99.200 -91.000 PHE 105 1.000 -33.235 26.040 0.651 -99.200 -91.000 PHE 114 1.000 -20.970 15.292 7.081 -99.200 -91.000 PHE 159 1.000 -21.821 5.577 -17.386 -99.200 -91.000 PHE 198 1.000 -15.731 15.548 -5.764 -99.200 -91.000 HIS 199 0.900 -20.908 11.279 -8.066 -99.200 -91.000 TYR 213 0.840 -25.481 15.869 8.224 -99.200 -91.000 TRP 255 1.040 -28.725 13.800 -16.563 -99.200 -91.000 TRP6 255 1.020 -30.195 14.233 -14.759 -99.200 -91.000 HIS 261 0.900 -38.023 6.080 -14.363 -99.200 -91.000 HIS 269 0.900 -44.061 19.570 -23.176 -99.200 -91.000 PHE 296 1.000 -31.959 31.200 -17.984 -99.200 -91.000