============================================================================= 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. TYR 26 0.840 55.183 33.389 55.021 -99.200 -91.000 TRP 32 1.040 38.065 30.750 52.629 -99.200 -91.000 TRP6 32 1.020 38.217 33.077 52.246 -99.200 -91.000 TRP 43 1.040 33.686 24.853 57.929 -99.200 -91.000 TRP6 43 1.020 33.905 22.879 56.647 -99.200 -91.000 TRP 46 1.040 39.283 21.475 56.138 -99.200 -91.000 TRP6 46 1.020 41.541 21.066 56.703 -99.200 -91.000 TYR 56 0.840 35.546 23.563 48.125 -99.200 -91.000 PHE 60 1.000 28.465 27.399 51.682 -99.200 -91.000 PHE 64 1.000 30.031 29.688 47.603 -99.200 -91.000 PHE 66 1.000 37.433 26.806 50.579 -99.200 -91.000 TYR 73 0.840 43.860 35.367 45.891 -99.200 -91.000 TYR 86 0.840 30.592 34.959 51.290 -99.200 -91.000 PHE 87 1.000 33.056 37.106 59.345 -99.200 -91.000 TRP 91 1.040 43.790 25.220 62.400 -99.200 -91.000 TRP6 91 1.020 42.149 25.563 60.728 -99.200 -91.000 TYR 97 0.840 46.245 33.138 65.274 -99.200 -91.000 TRP 98 1.040 37.847 33.079 63.099 -99.200 -91.000 TRP6 98 1.020 35.696 32.621 62.223 -99.200 -91.000 TYR 117 0.840 12.721 62.823 51.424 -99.200 -91.000 TYR 136 0.840 20.355 53.181 51.890 -99.200 -91.000 PHE 137 1.000 21.603 47.564 45.439 -99.200 -91.000 TRP 145 1.040 22.031 62.526 64.049 -99.200 -91.000 TRP6 145 1.020 20.212 63.760 63.164 -99.200 -91.000 HIS 155 0.900 17.960 55.199 68.995 -99.200 -91.000 PHE 157 1.000 15.228 53.291 64.999 -99.200 -91.000 TYR 166 0.840 19.483 47.273 51.062 -99.200 -91.000 TRP 179 1.040 16.360 71.762 66.404 -99.200 -91.000 TRP6 179 1.020 14.004 71.503 66.377 -99.200 -91.000 HIS 190 0.900 24.803 54.911 48.572 -99.200 -91.000