============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 67 0.900 14.903 18.555 -4.289 -99.200 -91.000 PHE 71 1.000 12.286 10.642 1.672 -99.200 -91.000 TYR 83 0.840 -0.635 23.570 -22.493 -99.200 -91.000 PHE 117 1.000 -11.011 24.262 -18.033 -99.200 -91.000 PHE 119 1.000 -6.231 31.517 -26.038 -99.200 -91.000 TYR 127 0.840 2.023 18.595 -28.368 -99.200 -91.000 TYR 145 0.840 -21.967 22.458 -23.736 -99.200 -91.000 TRP 148 1.040 -18.842 16.068 -25.569 -99.200 -91.000 TRP6 148 1.020 -20.719 17.408 -25.657 -99.200 -91.000 HIS 156 0.900 -13.259 7.788 -25.529 -99.200 -91.000 PHE 170 1.000 -27.033 13.285 2.452 -99.200 -91.000 TYR 172 0.840 -17.261 14.184 9.374 -99.200 -91.000 HIS 181 0.900 -20.666 1.183 10.429 -99.200 -91.000 HIS 186 0.900 -22.906 2.754 1.244 -99.200 -91.000 TRP 188 1.040 -25.237 7.314 -3.983 -99.200 -91.000 TRP6 188 1.020 -23.433 7.621 -5.389 -99.200 -91.000 HIS 193 0.900 -19.694 21.885 -6.002 -99.200 -91.000 TRP 201 1.040 -34.833 13.586 0.576 -99.200 -91.000 TRP6 201 1.020 -34.958 15.390 2.010 -99.200 -91.000 TRP 226 1.040 -34.858 13.639 9.702 -99.200 -91.000 TRP6 226 1.020 -33.733 13.700 11.717 -99.200 -91.000 HIS 230 0.900 -29.180 19.440 0.879 -99.200 -91.000 TYR 238 0.840 -22.732 28.438 -0.848 -99.200 -91.000 TYR 246 0.840 -5.877 25.163 4.075 -99.200 -91.000 TRP 249 1.040 -5.064 21.028 2.361 -99.200 -91.000 TRP6 249 1.020 -2.899 20.381 1.896 -99.200 -91.000 HIS 270 0.900 -16.178 6.999 -7.699 -99.200 -91.000 TYR 280 0.840 -33.435 11.183 -15.326 -99.200 -91.000 PHE 287 1.000 -26.553 21.575 -19.141 -99.200 -91.000 TRP 323 1.040 -31.174 24.724 -22.037 -99.200 -91.000 TRP6 323 1.020 -30.466 24.865 -24.229 -99.200 -91.000