============================================================================= 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. PHE 17 1.000 -25.058 -26.251 27.529 -99.200 -91.000 HIS 21 0.900 -13.088 -26.131 37.269 -99.200 -91.000 HIS 23 0.900 -15.061 -23.606 41.810 -99.200 -91.000 PHE 31 1.000 -13.791 -16.301 54.957 -99.200 -91.000 TRP 35 1.040 -15.875 -11.981 58.073 -99.200 -91.000 TRP6 35 1.020 -13.557 -11.602 57.797 -99.200 -91.000 PHE 38 1.000 -14.512 -11.858 51.830 -99.200 -91.000 PHE 39 1.000 -18.414 -15.259 51.046 -99.200 -91.000 PHE 70 1.000 -12.329 -29.758 54.914 -99.200 -91.000 HIS 89 0.900 -31.024 -32.021 37.416 -99.200 -91.000 TRP 97 1.040 -7.989 -25.447 44.470 -99.200 -91.000 TRP6 97 1.020 -7.876 -23.462 45.767 -99.200 -91.000 PHE 98 1.000 -3.172 -25.729 43.522 -99.200 -91.000 PHE 115 1.000 -12.609 -35.881 53.370 -99.200 -91.000 PHE 116 1.000 -9.724 -37.482 48.463 -99.200 -91.000 TYR 122 0.840 -22.279 -41.749 56.305 -99.200 -91.000 PHE 144 1.000 -1.909 -33.651 51.482 -99.200 -91.000 HIS 166 0.900 -5.499 -25.067 39.519 -99.200 -91.000 PHE 181 1.000 -4.924 -38.500 38.009 -99.200 -91.000 HIS 195 0.900 -8.465 -24.717 35.986 -99.200 -91.000 TYR 204 0.840 -0.311 -29.874 28.250 -99.200 -91.000 TYR 213 0.840 -4.988 -39.021 30.808 -99.200 -91.000 PHE 222 1.000 -11.284 -17.677 35.076 -99.200 -91.000 TRP 242 1.040 -14.587 -13.552 24.532 -99.200 -91.000 TRP6 242 1.020 -15.795 -14.872 22.966 -99.200 -91.000 TYR 257 0.840 -7.316 -36.316 19.494 -99.200 -91.000 TRP 267 1.040 -18.758 -16.105 36.813 -99.200 -91.000 TRP6 267 1.020 -16.906 -15.111 35.707 -99.200 -91.000 PHE 269 1.000 -23.533 -17.957 40.564 -99.200 -91.000 PHE 271 1.000 -12.007 -16.114 43.696 -99.200 -91.000 TYR 274 0.840 -6.325 -13.403 43.465 -99.200 -91.000 PHE 292 1.000 -17.817 -16.016 27.639 -99.200 -91.000 PHE 300 1.000 -15.293 -17.218 18.700 -99.200 -91.000 PHE 322 1.000 -15.037 -36.371 33.570 -99.200 -91.000