============================================================================= 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. PHE 33 1.000 12.243 -27.096 4.688 -99.200 -91.000 HIS 49 0.900 0.748 -15.079 18.447 -99.200 -91.000 TYR 55 0.840 5.212 0.702 16.518 -99.200 -91.000 TYR 66 0.840 13.969 -29.181 1.171 -99.200 -91.000 PHE 81 1.000 20.816 -36.438 12.022 -99.200 -91.000 TRP 92 1.040 28.223 -32.945 22.274 -99.200 -91.000 TRP6 92 1.020 29.009 -30.914 21.358 -99.200 -91.000 HIS 111 0.900 14.464 -29.286 -2.873 -99.200 -91.000 PHE 120 1.000 25.761 -13.869 2.451 -99.200 -91.000 PHE 136 1.000 31.700 -23.134 -3.984 -99.200 -91.000 HIS 138 0.900 26.466 -31.783 -3.509 -99.200 -91.000 TYR 160 0.840 30.996 -12.532 28.751 -99.200 -91.000 TYR 161 0.840 34.845 -17.742 28.184 -99.200 -91.000 HIS 181 0.900 32.790 -23.998 15.433 -99.200 -91.000 TYR 191 0.840 47.217 -11.277 13.721 -99.200 -91.000 PHE 201 1.000 44.810 -3.771 28.492 -99.200 -91.000 PHE 216 1.000 44.729 -17.775 23.449 -99.200 -91.000 TYR 234 0.840 19.141 -22.672 22.845 -99.200 -91.000 TYR 248 0.840 23.384 -10.488 1.308 -99.200 -91.000 TYR 266 0.840 45.076 -17.552 5.867 -99.200 -91.000 HIS 268 0.900 46.359 -24.768 3.645 -99.200 -91.000 PHE 272 1.000 33.763 -23.024 1.059 -99.200 -91.000 PHE 300 1.000 44.425 -21.081 7.711 -99.200 -91.000