============================================================================= 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. HIS 36 0.900 -2.370 16.857 35.886 -99.200 -91.000 TRP 44 1.040 20.547 17.092 40.994 -99.200 -91.000 TRP6 44 1.020 21.124 17.233 43.285 -99.200 -91.000 HIS 78 0.900 -8.868 1.567 19.942 -99.200 -91.000 TRP 79 1.040 -1.711 -0.629 22.735 -99.200 -91.000 TRP6 79 1.020 -0.370 -2.430 23.362 -99.200 -91.000 TRP 88 1.040 3.435 -9.500 18.039 -99.200 -91.000 TRP6 88 1.020 5.008 -8.103 19.091 -99.200 -91.000 TRP 89 1.040 -2.966 -5.890 17.532 -99.200 -91.000 TRP6 89 1.020 -4.350 -4.712 16.023 -99.200 -91.000 PHE 99 1.000 -5.520 -0.914 38.105 -99.200 -91.000 HIS 102 0.900 -2.225 -4.641 45.305 -99.200 -91.000 PHE 115 1.000 0.281 11.080 45.543 -99.200 -91.000 TYR 118 0.840 5.113 9.041 51.041 -99.200 -91.000 HIS 126 0.900 -10.971 2.873 33.947 -99.200 -91.000 PHE 131 1.000 -7.966 10.627 37.634 -99.200 -91.000 TRP 134 1.040 -0.962 11.578 51.784 -99.200 -91.000 TRP6 134 1.020 -0.711 13.809 52.511 -99.200 -91.000 HIS 137 0.900 -12.718 15.712 51.332 -99.200 -91.000 TYR 160 0.840 -17.448 21.083 38.243 -99.200 -91.000 TYR 165 0.840 -7.442 26.216 44.590 -99.200 -91.000 TYR 173 0.840 -3.358 25.563 30.336 -99.200 -91.000 TRP 206 1.040 -10.131 -8.064 26.843 -99.200 -91.000 TRP6 206 1.020 -8.132 -6.824 27.008 -99.200 -91.000 PHE 209 1.000 -13.152 -0.316 29.792 -99.200 -91.000 TYR 213 0.840 -11.381 10.844 27.831 -99.200 -91.000 PHE 218 1.000 -7.461 17.978 27.143 -99.200 -91.000 PHE 225 1.000 -9.400 29.250 32.912 -99.200 -91.000 PHE 250 1.000 -12.439 29.505 28.326 -99.200 -91.000 TRP 254 1.040 -12.304 26.927 23.240 -99.200 -91.000 TRP6 254 1.020 -11.665 25.131 21.847 -99.200 -91.000 PHE 255 1.000 -13.547 20.630 23.796 -99.200 -91.000