============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 5 0.840 -11.463 30.363 -0.354 -99.200 -91.000 TRP 10 1.040 -9.246 23.180 0.893 -99.200 -91.000 TRP6 10 1.020 -8.677 21.606 -0.771 -99.200 -91.000 PHE 28 1.000 -16.279 30.669 -13.686 -99.200 -91.000 TYR 32 0.840 -2.154 32.316 -17.146 -99.200 -91.000 PHE 65 1.000 -11.956 31.314 -11.182 -99.200 -91.000 PHE 75 1.000 -17.034 17.588 -5.960 -99.200 -91.000 HIS 78 0.900 -5.848 8.306 -8.981 -99.200 -91.000 HIS 79 0.900 -10.191 6.620 -11.281 -99.200 -91.000 HIS 102 0.900 0.756 12.830 -22.118 -99.200 -91.000 TYR 108 0.840 -3.435 10.387 -25.144 -99.200 -91.000 TYR 143 0.840 -16.098 11.562 -5.405 -99.200 -91.000 PHE 149 1.000 -22.067 18.517 -7.522 -99.200 -91.000 HIS 151 0.900 -19.680 16.430 -16.916 -99.200 -91.000 HIS 163 0.900 1.889 11.645 -13.855 -99.200 -91.000 PHE 165 1.000 0.665 8.383 -21.388 -99.200 -91.000 PHE 172 1.000 -18.363 18.668 -11.712 -99.200 -91.000 TRP 178 1.040 -20.284 14.174 -27.012 -99.200 -91.000 TRP6 178 1.020 -19.778 15.632 -28.811 -99.200 -91.000 PHE 189 1.000 -29.518 18.336 -20.136 -99.200 -91.000 TRP 196 1.040 -27.157 9.394 -25.780 -99.200 -91.000 TRP6 196 1.020 -28.732 7.962 -26.803 -99.200 -91.000 PHE 198 1.000 -18.837 5.342 -19.873 -99.200 -91.000 TRP 203 1.040 -19.079 6.487 -32.486 -99.200 -91.000 TRP6 203 1.020 -18.315 8.519 -33.436 -99.200 -91.000 TYR 213 0.840 -25.231 11.331 -33.913 -99.200 -91.000 PHE 224 1.000 -30.019 8.785 -36.928 -99.200 -91.000 TYR 230 0.840 -28.632 2.696 -31.955 -99.200 -91.000 TRP 249 1.040 -25.207 5.510 -27.367 -99.200 -91.000 TRP6 249 1.020 -23.720 4.847 -29.082 -99.200 -91.000 PHE 251 1.000 -36.631 6.724 -27.458 -99.200 -91.000 PHE 259 1.000 -21.889 7.346 -15.599 -99.200 -91.000 HIS 271 0.900 -1.530 -0.371 -13.209 -99.200 -91.000 PHE 274 1.000 -10.603 1.151 -11.344 -99.200 -91.000 PHE 279 1.000 -17.882 6.323 -5.228 -99.200 -91.000 PHE 280 1.000 -16.978 -1.343 -8.237 -99.200 -91.000 HIS 281 0.900 -12.372 -1.997 -6.843 -99.200 -91.000