============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 3 0.840 -60.772 22.182 -14.007 -99.200 -91.000 TYR 11 0.840 -62.043 12.822 -8.736 -99.200 -91.000 PHE 25 1.000 -59.948 19.574 -1.478 -99.200 -91.000 HIS 57 0.900 -42.502 -1.340 -4.629 -99.200 -91.000 PHE 66 1.000 -57.353 8.473 -19.138 -99.200 -91.000 PHE 67 1.000 -62.744 11.661 -14.837 -99.200 -91.000 TYR 72 0.840 -55.241 12.054 -23.745 -99.200 -91.000 TYR 73 0.840 -58.798 17.166 -17.308 -99.200 -91.000 PHE 85 1.000 -35.816 21.168 -9.257 -99.200 -91.000 TYR 102 0.840 -35.897 11.250 1.188 -99.200 -91.000 PHE 103 1.000 -29.724 5.337 -4.895 -99.200 -91.000 TYR 104 0.840 -34.149 -0.262 1.339 -99.200 -91.000 TYR 112 0.840 -43.529 -3.710 -8.629 -99.200 -91.000 HIS 114 0.900 -34.808 -1.738 -14.228 -99.200 -91.000 HIS 120 0.900 -39.544 6.918 -14.888 -99.200 -91.000 PHE 144 1.000 -44.027 4.667 -13.910 -99.200 -91.000 HIS 146 0.900 -40.558 11.140 -21.920 -99.200 -91.000 TYR 164 0.840 -31.185 -14.208 -48.316 -99.200 -91.000 TYR 178 0.840 -26.876 -6.400 -20.023 -99.200 -91.000 TRP 185 1.040 -25.922 7.938 -16.552 -99.200 -91.000 TRP6 185 1.020 -23.584 7.618 -16.659 -99.200 -91.000 PHE 192 1.000 -21.782 13.840 -8.386 -99.200 -91.000 TYR 198 0.840 -20.757 18.718 -7.152 -99.200 -91.000 PHE 201 1.000 -21.626 12.973 -15.749 -99.200 -91.000 HIS 204 0.900 -20.884 26.537 -12.436 -99.200 -91.000 TYR 219 0.840 -17.190 10.749 -11.104 -99.200 -91.000 PHE 221 1.000 -14.191 13.488 -5.612 -99.200 -91.000 TRP 226 1.040 -18.433 14.616 -4.047 -99.200 -91.000 TRP6 226 1.020 -20.049 12.895 -3.993 -99.200 -91.000 PHE 249 1.000 -22.647 -2.478 -8.055 -99.200 -91.000 HIS 257 0.900 -21.834 -0.076 -2.105 -99.200 -91.000 TRP 259 1.040 -24.285 4.660 1.696 -99.200 -91.000 TRP6 259 1.020 -26.030 5.682 0.467 -99.200 -91.000 PHE 269 1.000 -39.351 0.895 2.800 -99.200 -91.000