============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TRP 24 1.040 3.536 -6.609 21.713 -99.200 -91.000 TRP6 24 1.020 1.591 -5.273 21.947 -99.200 -91.000 PHE 31 1.000 7.889 -6.023 11.320 -99.200 -91.000 TYR 33 0.840 -2.281 -10.193 9.774 -99.200 -91.000 PHE 34 1.000 3.129 -3.209 9.931 -99.200 -91.000 TRP 57 1.040 10.427 8.355 10.145 -99.200 -91.000 TRP6 57 1.020 10.338 7.191 8.076 -99.200 -91.000 PHE 58 1.000 12.195 10.833 13.291 -99.200 -91.000 HIS 87 0.900 8.902 6.389 -0.141 -99.200 -91.000 PHE 88 1.000 4.897 11.770 -1.729 -99.200 -91.000 TRP 113 1.040 -2.310 -1.493 3.990 -99.200 -91.000 TRP6 113 1.020 -3.580 -3.000 5.303 -99.200 -91.000 TYR 121 0.840 -3.549 2.859 14.867 -99.200 -91.000 HIS 130 0.900 -14.803 0.015 2.398 -99.200 -91.000 PHE 134 1.000 -7.223 -5.496 7.148 -99.200 -91.000 PHE 142 1.000 2.249 -8.242 27.028 -99.200 -91.000 PHE 147 1.000 -3.738 2.765 27.286 -99.200 -91.000 PHE 148 1.000 -7.348 0.839 17.306 -99.200 -91.000 TYR 156 0.840 -15.136 0.993 12.928 -99.200 -91.000 TYR 162 0.840 -10.319 -8.458 4.107 -99.200 -91.000 TYR 177 0.840 0.173 -13.880 17.496 -99.200 -91.000 PHE 179 1.000 -2.744 -12.683 12.549 -99.200 -91.000 TYR 182 0.840 -13.412 -5.625 14.832 -99.200 -91.000