============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 22 0.840 23.910 1.842 -35.416 -99.200 -91.000 PHE 24 1.000 23.320 -9.599 -33.134 -99.200 -91.000 TYR 27 0.840 22.244 0.153 -29.484 -99.200 -91.000 TYR 28 0.840 26.238 -6.663 -22.489 -99.200 -91.000 TYR 30 0.840 20.271 -5.254 -20.891 -99.200 -91.000 TRP 31 1.040 18.614 -12.821 -24.071 -99.200 -91.000 TRP6 31 1.020 16.542 -13.137 -25.146 -99.200 -91.000 TRP 42 1.040 21.251 -7.679 -16.719 -99.200 -91.000 TRP6 42 1.020 23.273 -8.875 -16.462 -99.200 -91.000 PHE 55 1.000 25.790 -16.382 -18.806 -99.200 -91.000 PHE 59 1.000 18.326 -16.017 -13.662 -99.200 -91.000 TYR 75 0.840 19.292 -17.611 -31.417 -99.200 -91.000 PHE 87 1.000 7.060 -10.018 -22.566 -99.200 -91.000 TYR 88 0.840 11.863 -15.913 -19.138 -99.200 -91.000 PHE 89 1.000 12.021 -7.268 -21.310 -99.200 -91.000 TRP 96 1.040 29.856 3.237 -30.402 -99.200 -91.000 TRP6 96 1.020 29.368 5.323 -31.443 -99.200 -91.000 PHE 97 1.000 24.847 4.627 -29.128 -99.200 -91.000 PHE 104 1.000 13.830 -1.818 -21.029 -99.200 -91.000 PHE 106 1.000 15.721 -4.998 -30.232 -99.200 -91.000 TRP 107 1.040 8.594 -5.218 -22.542 -99.200 -91.000 TRP6 107 1.020 6.228 -5.125 -22.704 -99.200 -91.000 PHE 126 1.000 -19.412 -18.276 -24.575 -99.200 -91.000 TYR 140 0.840 -7.502 -17.023 -21.696 -99.200 -91.000 PHE 141 1.000 -2.539 -22.983 -18.627 -99.200 -91.000 TRP 149 1.040 -13.863 -3.850 -27.334 -99.200 -91.000 TRP6 149 1.020 -15.993 -4.868 -27.580 -99.200 -91.000 HIS 159 0.900 -12.258 0.703 -17.792 -99.200 -91.000 PHE 161 1.000 -12.957 -5.494 -15.671 -99.200 -91.000 TYR 171 0.840 -4.953 -17.785 -16.524 -99.200 -91.000 TYR 183 0.840 -19.558 0.490 -30.761 -99.200 -91.000 HIS 189 0.900 -4.845 -18.687 -25.844 -99.200 -91.000