============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 7 1.000 -0.023 17.351 7.238 -99.200 -91.000 HIS 24 0.900 13.453 -12.931 -4.929 -99.200 -91.000 PHE 26 1.000 11.192 -4.846 -2.841 -99.200 -91.000 TYR 38 0.840 -10.486 19.402 -1.196 -99.200 -91.000 PHE 45 1.000 3.903 5.029 -4.455 -99.200 -91.000 TRP 56 1.040 4.176 -2.289 -8.960 -99.200 -91.000 TRP6 56 1.020 5.459 -0.673 -7.811 -99.200 -91.000 PHE 67 1.000 -0.231 14.407 2.952 -99.200 -91.000 TYR 70 0.840 -8.261 11.982 11.761 -99.200 -91.000 HIS 73 0.900 -17.577 14.611 13.804 -99.200 -91.000 HIS 77 0.900 -11.210 11.831 18.967 -99.200 -91.000 PHE 79 1.000 0.430 9.669 16.663 -99.200 -91.000 PHE 80 1.000 -2.473 8.510 11.590 -99.200 -91.000 TYR 88 0.840 3.249 9.277 11.400 -99.200 -91.000 PHE 96 1.000 1.334 -10.281 2.368 -99.200 -91.000 TYR 102 0.840 5.504 -7.742 2.153 -99.200 -91.000 PHE 110 1.000 5.336 18.577 6.652 -99.200 -91.000 PHE 126 1.000 6.161 -13.062 1.783 -99.200 -91.000 HIS 135 0.900 5.400 -11.146 -9.215 -99.200 -91.000 TYR 139 0.840 -1.601 -2.232 -11.124 -99.200 -91.000 TYR 141 0.840 -5.158 -1.931 -1.772 -99.200 -91.000 HIS 144 0.900 -7.643 -0.534 3.446 -99.200 -91.000 TYR 147 0.840 -12.085 -1.289 11.899 -99.200 -91.000 PHE 161 1.000 -4.586 -1.713 8.000 -99.200 -91.000 HIS 165 0.900 -3.149 -7.494 -1.063 -99.200 -91.000 HIS 177 0.900 -1.860 -4.639 6.210 -99.200 -91.000 TYR 178 0.840 -0.025 -4.787 16.616 -99.200 -91.000 HIS 195 0.900 -9.662 7.625 14.948 -99.200 -91.000 TYR 196 0.840 -14.701 3.497 10.401 -99.200 -91.000 HIS 213 0.900 4.223 2.494 -14.488 -99.200 -91.000 PHE 219 1.000 -10.349 10.687 -3.476 -99.200 -91.000 HIS 227 0.900 -22.178 13.817 13.946 -99.200 -91.000 TYR 233 0.840 -27.730 20.284 10.149 -99.200 -91.000