============================================================================= 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 9 0.840 -43.529 9.242 54.718 -99.200 -91.000 TYR 21 0.840 -53.789 -6.218 50.755 -99.200 -91.000 TYR 25 0.840 -64.773 -8.481 46.871 -99.200 -91.000 TYR 32 0.840 -58.721 -3.710 40.523 -99.200 -91.000 HIS 47 0.900 -46.736 11.543 59.203 -99.200 -91.000 PHE 54 1.000 -50.101 17.254 47.267 -99.200 -91.000 TYR 74 0.840 -58.629 3.094 64.859 -99.200 -91.000 TYR 84 0.840 -53.471 -3.372 42.747 -99.200 -91.000 TYR 85 0.840 -53.504 -2.567 37.894 -99.200 -91.000 TYR 86 0.840 -48.905 6.967 41.520 -99.200 -91.000 PHE 87 1.000 -49.235 4.500 46.251 -99.200 -91.000 PHE 97 1.000 -38.998 4.332 44.160 -99.200 -91.000 PHE 105 1.000 -39.488 1.699 49.700 -99.200 -91.000 TYR 110 0.840 -35.907 3.240 61.284 -99.200 -91.000 TRP 124 1.040 -36.657 -6.558 63.151 -99.200 -91.000 TRP6 124 1.020 -36.676 -4.564 64.430 -99.200 -91.000 TRP 137 1.040 -31.898 2.297 46.608 -99.200 -91.000 TRP6 137 1.020 -34.241 2.481 46.888 -99.200 -91.000 HIS 148 0.900 -25.808 -10.647 59.958 -99.200 -91.000 HIS 152 0.900 -32.004 -17.872 62.848 -99.200 -91.000 HIS 154 0.900 -42.518 -16.089 63.527 -99.200 -91.000 TYR 157 0.840 -33.771 -13.035 55.514 -99.200 -91.000 PHE 169 1.000 -31.530 5.651 58.809 -99.200 -91.000 HIS 171 0.900 -28.573 16.857 59.312 -99.200 -91.000 HIS 177 0.900 -36.744 20.431 56.706 -99.200 -91.000 HIS 190 0.900 -40.920 21.487 63.960 -99.200 -91.000 HIS 191 0.900 -34.494 21.490 69.159 -99.200 -91.000