============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 26 1.000 19.980 48.780 -23.392 -99.200 -91.000 TYR 31 0.840 21.950 53.888 -23.189 -99.200 -91.000 HIS 34 0.900 17.299 52.910 -12.477 -99.200 -91.000 TRP 35 1.040 16.955 44.488 -11.694 -99.200 -91.000 TRP6 35 1.020 15.919 42.706 -12.869 -99.200 -91.000 TRP 46 1.040 14.753 52.275 -8.165 -99.200 -91.000 TRP6 46 1.020 16.318 52.684 -6.409 -99.200 -91.000 TRP 51 1.040 25.039 54.215 -10.943 -99.200 -91.000 TRP6 51 1.020 24.403 56.416 -11.607 -99.200 -91.000 TYR 58 0.840 22.073 46.834 -4.356 -99.200 -91.000 PHE 78 1.000 22.977 37.457 -14.999 -99.200 -91.000 TYR 92 0.840 10.276 40.891 -7.998 -99.200 -91.000 TYR 93 0.840 6.902 45.428 -14.756 -99.200 -91.000 TRP 104 1.040 13.797 60.956 -16.992 -99.200 -91.000 TRP6 104 1.020 14.236 60.298 -19.212 -99.200 -91.000 PHE 105 1.000 13.018 54.205 -13.464 -99.200 -91.000 TYR 107 0.840 13.598 52.674 -24.883 -99.200 -91.000 TRP 108 1.040 9.203 50.897 -17.912 -99.200 -91.000 TRP6 108 1.020 8.789 50.596 -15.588 -99.200 -91.000 PHE 127 1.000 -10.609 20.270 -19.198 -99.200 -91.000 TYR 146 0.840 -3.442 28.866 -14.446 -99.200 -91.000 PHE 147 1.000 0.330 28.228 -6.715 -99.200 -91.000 TRP 155 1.040 -8.265 32.606 -28.740 -99.200 -91.000 TRP6 155 1.020 -9.563 30.639 -28.808 -99.200 -91.000 HIS 165 0.900 -13.622 40.826 -24.838 -99.200 -91.000 PHE 167 1.000 -13.891 36.917 -19.703 -99.200 -91.000 TYR 177 0.840 -3.909 31.627 -9.340 -99.200 -91.000 TYR 195 0.840 -12.438 30.242 -35.560 -99.200 -91.000 HIS 201 0.900 1.654 27.200 -15.432 -99.200 -91.000