============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 17 0.840 -15.659 16.726 24.674 -99.200 -91.000 TRP 18 1.040 -9.441 19.396 24.352 -99.200 -91.000 TRP6 18 1.020 -7.618 17.925 24.006 -99.200 -91.000 TYR 26 0.840 -1.645 18.416 31.720 -99.200 -91.000 PHE 34 1.000 -1.711 17.193 22.027 -99.200 -91.000 PHE 36 1.000 1.173 23.346 22.101 -99.200 -91.000 PHE 40 1.000 -0.636 34.300 24.931 -99.200 -91.000 HIS 41 0.900 -3.843 29.858 31.241 -99.200 -91.000 TYR 50 0.840 1.348 43.830 18.877 -99.200 -91.000 TYR 65 0.840 16.832 39.183 11.912 -99.200 -91.000 PHE 70 1.000 1.591 30.910 8.384 -99.200 -91.000 TYR 72 0.840 -4.271 24.931 11.538 -99.200 -91.000 TYR 81 0.840 -11.352 38.623 20.617 -99.200 -91.000 HIS 89 0.900 -11.629 43.923 24.066 -99.200 -91.000 HIS 98 0.900 -3.040 51.831 16.211 -99.200 -91.000 PHE 101 1.000 2.808 54.259 10.028 -99.200 -91.000 PHE 107 1.000 15.045 52.162 15.644 -99.200 -91.000 PHE 112 1.000 12.473 53.315 9.448 -99.200 -91.000 TYR 118 0.840 -6.766 42.571 4.003 -99.200 -91.000 TYR 122 0.840 -14.484 30.690 -1.736 -99.200 -91.000 TYR 150 0.840 7.583 39.965 -4.740 -99.200 -91.000 TYR 160 0.840 4.836 58.922 2.959 -99.200 -91.000 TRP 168 1.040 -4.637 52.195 1.482 -99.200 -91.000 TRP6 168 1.020 -5.519 52.160 -0.714 -99.200 -91.000 HIS 177 0.900 -18.372 41.114 3.174 -99.200 -91.000 TYR 178 0.840 -17.551 44.668 -3.752 -99.200 -91.000 HIS 191 0.900 -6.319 29.504 3.221 -99.200 -91.000 PHE 194 1.000 -1.769 44.765 6.603 -99.200 -91.000 HIS 209 0.900 8.814 41.002 1.020 -99.200 -91.000 PHE 234 1.000 -4.047 16.490 2.687 -99.200 -91.000 PHE 251 1.000 13.323 14.316 -1.543 -99.200 -91.000 TYR 254 0.840 8.105 24.811 0.390 -99.200 -91.000 PHE 284 1.000 -11.621 13.967 21.523 -99.200 -91.000 PHE 293 1.000 -0.567 23.338 11.422 -99.200 -91.000 TYR 299 0.840 9.561 19.082 17.929 -99.200 -91.000 TYR 305 0.840 19.622 35.400 5.334 -99.200 -91.000