============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 45.570 53.903 17.821 -99.200 -91.000 HIS 30 0.900 23.771 76.478 18.986 -99.200 -91.000 TYR 36 0.840 22.714 72.973 21.986 -99.200 -91.000 TYR 38 0.840 24.622 65.884 22.665 -99.200 -91.000 TRP 39 1.040 33.212 64.302 24.925 -99.200 -91.000 TRP6 39 1.020 35.046 63.789 23.500 -99.200 -91.000 TYR 40 0.840 27.011 59.644 21.601 -99.200 -91.000 HIS 49 0.900 28.596 53.720 27.420 -99.200 -91.000 TYR 53 0.840 22.967 65.684 29.433 -99.200 -91.000 HIS 54 0.900 22.346 69.973 26.064 -99.200 -91.000 PHE 66 1.000 34.291 57.825 31.917 -99.200 -91.000 PHE 75 1.000 33.971 70.759 21.305 -99.200 -91.000 TYR 90 0.840 36.414 56.733 26.059 -99.200 -91.000 TYR 91 0.840 33.301 56.367 17.818 -99.200 -91.000 HIS 94 0.900 27.089 68.124 14.311 -99.200 -91.000 PHE 102 1.000 27.907 59.962 15.285 -99.200 -91.000 PHE 122 1.000 45.786 24.699 20.682 -99.200 -91.000 PHE 139 1.000 44.054 29.821 19.860 -99.200 -91.000 PHE 143 1.000 50.337 39.676 22.777 -99.200 -91.000 TYR 144 0.840 50.989 46.912 28.084 -99.200 -91.000 TRP 152 1.040 52.924 30.047 11.690 -99.200 -91.000 TRP6 152 1.020 52.126 28.234 12.970 -99.200 -91.000 TRP 167 1.040 47.737 41.028 15.661 -99.200 -91.000 TRP6 167 1.020 47.567 40.943 13.318 -99.200 -91.000 TYR 177 0.840 46.938 45.396 23.648 -99.200 -91.000 TYR 190 0.840 49.578 17.706 9.698 -99.200 -91.000 HIS 193 0.900 56.325 19.495 4.769 -99.200 -91.000 TYR 196 0.840 53.632 20.667 10.303 -99.200 -91.000 HIS 202 0.900 55.620 40.711 24.657 -99.200 -91.000 PHE 213 1.000 52.058 19.861 15.299 -99.200 -91.000