============================================================================= 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 22.281 -9.063 40.580 -99.200 -91.000 TRP 44 1.040 6.086 -4.713 23.783 -99.200 -91.000 TRP6 44 1.020 4.085 -5.932 24.074 -99.200 -91.000 HIS 78 0.900 33.870 9.785 47.954 -99.200 -91.000 TRP 79 1.040 27.010 12.021 44.307 -99.200 -91.000 TRP6 79 1.020 25.231 13.557 44.400 -99.200 -91.000 TRP 88 1.040 25.104 23.060 43.802 -99.200 -91.000 TRP6 88 1.020 23.925 22.002 42.072 -99.200 -91.000 TRP 89 1.040 30.091 18.571 46.596 -99.200 -91.000 TRP6 89 1.020 32.421 18.186 46.550 -99.200 -91.000 PHE 99 1.000 16.767 2.769 53.001 -99.200 -91.000 HIS 102 0.900 7.744 -0.229 54.641 -99.200 -91.000 PHE 115 1.000 11.345 -8.714 44.529 -99.200 -91.000 TYR 118 0.840 4.405 -8.041 42.733 -99.200 -91.000 HIS 126 0.900 24.087 0.461 53.852 -99.200 -91.000 PHE 131 1.000 21.823 -6.765 48.840 -99.200 -91.000 TRP 134 1.040 7.285 -12.723 47.374 -99.200 -91.000 TRP6 134 1.020 7.262 -14.816 46.226 -99.200 -91.000 HIS 137 0.900 15.329 -19.939 53.441 -99.200 -91.000 TYR 160 0.840 29.753 -18.289 50.800 -99.200 -91.000 TYR 165 0.840 21.242 -22.400 42.108 -99.200 -91.000 TYR 173 0.840 30.035 -12.869 35.323 -99.200 -91.000 TRP 206 1.040 26.138 13.154 56.091 -99.200 -91.000 TRP6 206 1.020 25.224 12.506 54.019 -99.200 -91.000 PHE 209 1.000 27.688 4.277 55.914 -99.200 -91.000 TYR 213 0.840 31.446 -2.697 48.473 -99.200 -91.000 PHE 218 1.000 32.230 -6.295 41.722 -99.200 -91.000 PHE 225 1.000 32.173 -18.673 38.167 -99.200 -91.000 PHE 250 1.000 37.494 -17.434 39.258 -99.200 -91.000 TRP 254 1.040 40.637 -12.387 39.222 -99.200 -91.000 TRP6 254 1.020 40.714 -10.040 39.471 -99.200 -91.000 PHE 255 1.000 38.404 -8.558 43.874 -99.200 -91.000