============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 37.879 24.244 29.704 -99.200 -91.000 TYR 32 0.840 31.643 21.622 25.592 -99.200 -91.000 TRP 36 1.040 34.611 23.446 39.979 -99.200 -91.000 TRP6 36 1.020 36.105 21.612 40.044 -99.200 -91.000 TRP 47 1.040 25.606 24.300 40.719 -99.200 -91.000 TRP6 47 1.020 25.952 26.632 40.756 -99.200 -91.000 PHE 55 1.000 30.511 35.831 29.222 -99.200 -91.000 TYR 60 0.840 32.244 32.100 42.642 -99.200 -91.000 PHE 64 1.000 30.042 25.611 49.331 -99.200 -91.000 TYR 80 0.840 43.346 25.400 37.119 -99.200 -91.000 TYR 93 0.840 34.983 19.745 47.756 -99.200 -91.000 PHE 94 1.000 31.600 14.521 42.662 -99.200 -91.000 HIS 100 0.900 19.206 24.024 28.935 -99.200 -91.000 TRP 105 1.040 28.103 14.655 36.407 -99.200 -91.000 TRP6 105 1.020 27.203 15.460 38.430 -99.200 -91.000 PHE 124 1.000 44.664 -3.060 67.849 -99.200 -91.000 TYR 147 0.840 41.366 4.232 58.304 -99.200 -91.000 PHE 148 1.000 43.307 12.404 58.756 -99.200 -91.000 TRP 156 1.040 38.830 -10.664 55.291 -99.200 -91.000 TRP6 156 1.020 39.488 -11.240 57.495 -99.200 -91.000 HIS 166 0.900 28.287 -8.501 55.022 -99.200 -91.000 PHE 168 1.000 29.986 -4.162 59.342 -99.200 -91.000 TYR 178 0.840 38.261 9.005 58.121 -99.200 -91.000 TYR 196 0.840 39.816 -18.545 58.429 -99.200 -91.000 HIS 202 0.900 45.675 4.804 55.704 -99.200 -91.000