============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 8 0.840 21.989 -15.126 42.407 -99.200 -91.000 TRP 11 1.040 21.823 -8.359 49.611 -99.200 -91.000 TRP6 11 1.020 22.107 -6.949 47.737 -99.200 -91.000 HIS 28 0.900 8.173 -18.810 27.983 -99.200 -91.000 PHE 30 1.000 15.732 -16.750 26.392 -99.200 -91.000 TRP 43 1.040 25.513 -2.344 40.828 -99.200 -91.000 TRP6 43 1.020 24.350 -0.749 39.530 -99.200 -91.000 TRP 58 1.040 17.436 -3.485 46.030 -99.200 -91.000 TRP6 58 1.020 15.811 -3.378 47.741 -99.200 -91.000 HIS 63 0.900 22.396 -1.727 45.010 -99.200 -91.000 TRP 67 1.040 23.089 5.939 38.254 -99.200 -91.000 TRP6 67 1.020 22.435 4.514 36.485 -99.200 -91.000 TYR 70 0.840 31.382 -0.412 38.433 -99.200 -91.000 PHE 88 1.000 19.329 3.266 61.098 -99.200 -91.000 TYR 93 0.840 10.359 -6.178 71.739 -99.200 -91.000 TYR 130 0.840 18.310 11.336 61.427 -99.200 -91.000 TRP 136 1.040 23.214 5.617 68.791 -99.200 -91.000 TRP6 136 1.020 21.662 3.842 68.696 -99.200 -91.000 HIS 157 0.900 9.590 -7.810 75.297 -99.200 -91.000 TRP 165 1.040 15.950 -6.052 52.221 -99.200 -91.000 TRP6 165 1.020 17.735 -6.848 53.547 -99.200 -91.000 HIS 168 0.900 13.962 -10.050 55.131 -99.200 -91.000 TRP 169 1.040 12.765 -14.091 55.092 -99.200 -91.000 TRP6 169 1.020 13.100 -14.544 57.390 -99.200 -91.000 PHE 171 1.000 9.438 -5.562 57.455 -99.200 -91.000 TYR 174 0.840 11.278 -12.841 63.860 -99.200 -91.000 TYR 178 0.840 10.892 -0.300 56.972 -99.200 -91.000 TYR 208 0.840 17.041 -4.309 25.430 -99.200 -91.000 PHE 214 1.000 11.632 -10.072 36.754 -99.200 -91.000 TRP 216 1.040 8.963 -9.833 41.069 -99.200 -91.000 TRP6 216 1.020 9.203 -11.963 42.062 -99.200 -91.000 TRP 241 1.040 4.710 -15.700 42.068 -99.200 -91.000 TRP6 241 1.020 5.258 -14.716 39.988 -99.200 -91.000 HIS 245 0.900 0.844 -15.443 41.071 -99.200 -91.000 TRP 252 1.040 7.392 -11.075 33.020 -99.200 -91.000 TRP6 252 1.020 8.042 -12.612 34.691 -99.200 -91.000 PHE 253 1.000 9.647 -15.700 28.993 -99.200 -91.000