============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 6 0.840 5.271 -16.989 9.371 -99.200 -91.000 TYR 21 0.840 5.809 -10.772 11.103 -99.200 -91.000 PHE 23 1.000 -4.053 -10.195 17.588 -99.200 -91.000 TRP 28 1.040 1.423 -20.250 31.097 -99.200 -91.000 TRP6 28 1.020 2.180 -18.988 32.950 -99.200 -91.000 TYR 34 0.840 9.961 -13.692 45.259 -99.200 -91.000 TRP 41 1.040 5.822 -16.206 47.439 -99.200 -91.000 TRP6 41 1.020 4.920 -15.149 45.527 -99.200 -91.000 PHE 50 1.000 -3.378 -10.239 23.395 -99.200 -91.000 TYR 55 0.840 8.957 -6.233 19.357 -99.200 -91.000 HIS 57 0.900 3.816 -7.489 23.124 -99.200 -91.000 PHE 63 1.000 1.493 -12.455 40.726 -99.200 -91.000 PHE 66 1.000 1.232 -17.053 50.936 -99.200 -91.000 PHE 78 1.000 5.571 -18.624 29.421 -99.200 -91.000 PHE 95 1.000 16.521 -12.192 25.005 -99.200 -91.000 HIS 96 0.900 18.281 -18.511 20.011 -99.200 -91.000 TYR 102 0.840 13.659 -6.663 25.494 -99.200 -91.000 TYR 119 0.840 0.157 -0.640 46.959 -99.200 -91.000 TRP 125 1.040 16.398 -7.546 34.799 -99.200 -91.000 TRP6 125 1.020 17.019 -6.290 36.705 -99.200 -91.000 TRP 129 1.040 11.902 -19.360 27.295 -99.200 -91.000 TRP6 129 1.020 12.759 -21.258 26.161 -99.200 -91.000 HIS 146 0.900 7.120 -8.478 52.722 -99.200 -91.000 TRP 151 1.040 3.706 -10.121 43.593 -99.200 -91.000 TRP6 151 1.020 5.807 -10.003 42.510 -99.200 -91.000 TYR 158 0.840 10.028 -13.127 25.897 -99.200 -91.000 PHE 162 1.000 14.186 -14.687 13.064 -99.200 -91.000