============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 16 1.040 -42.708 31.190 -24.780 -99.200 -91.000 TRP6 16 1.020 -43.836 30.186 -22.942 -99.200 -91.000 TYR 22 0.840 -36.492 29.107 -16.757 -99.200 -91.000 TYR 33 0.840 -32.765 27.891 -37.267 -99.200 -91.000 PHE 46 1.000 -31.597 8.333 -38.266 -99.200 -91.000 PHE 51 1.000 -21.922 11.403 -36.592 -99.200 -91.000 TYR 59 0.840 -39.483 -0.597 -26.999 -99.200 -91.000 PHE 61 1.000 -39.473 4.375 -23.777 -99.200 -91.000 TRP 98 1.040 -38.341 21.365 -12.349 -99.200 -91.000 TRP6 98 1.020 -36.151 20.773 -11.658 -99.200 -91.000 TYR 100 0.840 -39.597 25.209 -16.582 -99.200 -91.000 TYR 103 0.840 -40.420 30.321 -10.251 -99.200 -91.000 TRP 126 1.040 -34.835 29.122 -8.102 -99.200 -91.000 TRP6 126 1.020 -34.892 29.419 -10.449 -99.200 -91.000 TRP 129 1.040 -29.959 22.542 -11.939 -99.200 -91.000 TRP6 129 1.020 -30.578 21.028 -13.641 -99.200 -91.000 HIS 157 0.900 -30.558 0.517 -23.260 -99.200 -91.000 HIS 160 0.900 -34.517 -4.401 -26.429 -99.200 -91.000 PHE 172 1.000 -36.453 12.053 -30.684 -99.200 -91.000 HIS 174 0.900 -39.884 18.986 -23.407 -99.200 -91.000 HIS 176 0.900 -34.350 23.684 -16.681 -99.200 -91.000 TYR 180 0.840 -33.172 16.045 -11.957 -99.200 -91.000 PHE 181 1.000 -33.078 9.708 -19.321 -99.200 -91.000 TRP 185 1.040 -27.373 6.306 -18.244 -99.200 -91.000 TRP6 185 1.020 -29.249 5.267 -19.252 -99.200 -91.000 PHE 186 1.000 -22.475 11.211 -15.353 -99.200 -91.000 TYR 206 0.840 -45.221 2.834 -19.596 -99.200 -91.000 TYR 213 0.840 -44.588 1.115 -13.001 -99.200 -91.000 TYR 219 0.840 -36.857 9.396 -5.427 -99.200 -91.000 HIS 221 0.900 -33.218 14.139 -4.487 -99.200 -91.000 PHE 228 1.000 -24.429 16.750 -17.342 -99.200 -91.000 TYR 240 0.840 -26.332 0.585 -20.161 -99.200 -91.000 HIS 242 0.900 -15.281 -2.177 -18.251 -99.200 -91.000 HIS 243 0.900 -19.716 -5.117 -24.706 -99.200 -91.000 PHE 256 1.000 -16.746 12.440 -34.463 -99.200 -91.000