============================================================================= 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 7 1.000 -21.675 -27.568 3.913 -99.200 -91.000 HIS 17 0.900 -26.070 -15.987 15.068 -99.200 -91.000 HIS 63 0.900 -31.239 -7.994 -4.806 -99.200 -91.000 PHE 70 1.000 -42.860 -5.584 1.196 -99.200 -91.000 HIS 84 0.900 -41.355 -26.611 0.074 -99.200 -91.000 PHE 86 1.000 -37.187 -21.532 1.362 -99.200 -91.000 PHE 89 1.000 -28.215 -12.832 1.740 -99.200 -91.000 PHE 94 1.000 -29.794 -3.265 6.078 -99.200 -91.000 TYR 105 0.840 -31.809 -5.966 10.474 -99.200 -91.000 PHE 110 1.000 -39.023 -2.461 0.848 -99.200 -91.000 TRP 115 1.040 -39.604 -9.296 5.673 -99.200 -91.000 TRP6 115 1.020 -37.942 -9.631 4.020 -99.200 -91.000 HIS 122 0.900 -21.227 -3.252 -0.010 -99.200 -91.000 HIS 141 0.900 -33.384 -14.690 19.839 -99.200 -91.000 TYR 161 0.840 -13.936 -2.840 1.423 -99.200 -91.000 HIS 172 0.900 -18.560 -5.739 15.493 -99.200 -91.000 PHE 175 1.000 -26.638 -8.709 13.297 -99.200 -91.000 PHE 179 1.000 -16.222 -13.219 6.605 -99.200 -91.000 PHE 191 1.000 -16.755 -15.806 11.792 -99.200 -91.000 HIS 193 0.900 -15.669 -18.348 4.106 -99.200 -91.000 TYR 211 0.840 -22.663 -14.979 -14.694 -99.200 -91.000 TYR 245 0.840 -26.483 -23.274 -11.802 -99.200 -91.000 TRP 250 1.040 -24.127 -32.875 -1.281 -99.200 -91.000 TRP6 250 1.020 -24.348 -31.675 0.751 -99.200 -91.000 TYR 253 0.840 -19.881 -30.433 1.976 -99.200 -91.000