============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 12 0.840 1.472 37.675 -0.963 -99.200 -91.000 HIS 19 0.900 -16.293 33.252 -4.615 -99.200 -91.000 TYR 28 0.840 -10.004 36.090 -8.889 -99.200 -91.000 TYR 31 0.840 1.422 43.781 -1.959 -99.200 -91.000 HIS 42 0.900 1.112 54.474 -11.553 -99.200 -91.000 PHE 45 1.000 -1.096 46.312 -18.281 -99.200 -91.000 TYR 47 0.840 -5.874 44.287 -14.584 -99.200 -91.000 TYR 57 0.840 3.964 30.635 -5.156 -99.200 -91.000 TRP 67 1.040 11.339 26.427 -16.657 -99.200 -91.000 TRP6 67 1.020 12.139 27.271 -14.597 -99.200 -91.000 TYR 76 0.840 6.622 25.489 -21.011 -99.200 -91.000 PHE 98 1.000 11.561 36.811 -11.432 -99.200 -91.000 PHE 102 1.000 5.676 42.122 -5.749 -99.200 -91.000 TYR 131 0.840 16.578 24.020 14.953 -99.200 -91.000 PHE 142 1.000 20.500 30.789 4.576 -99.200 -91.000 PHE 143 1.000 18.452 27.211 8.089 -99.200 -91.000 PHE 151 1.000 22.519 31.499 9.388 -99.200 -91.000 TRP 155 1.040 22.233 20.843 6.158 -99.200 -91.000 TRP6 155 1.020 19.983 20.351 5.627 -99.200 -91.000 TYR 157 0.840 17.770 19.931 15.623 -99.200 -91.000 PHE 166 1.000 14.424 18.553 6.890 -99.200 -91.000 TYR 184 0.840 8.491 22.066 13.749 -99.200 -91.000 TYR 186 0.840 7.499 26.037 8.507 -99.200 -91.000 TYR 195 0.840 -2.122 36.776 6.031 -99.200 -91.000 TYR 216 0.840 7.551 37.539 -1.989 -99.200 -91.000 TRP 250 1.040 -4.230 44.161 0.730 -99.200 -91.000 TRP6 250 1.020 -6.406 43.233 0.742 -99.200 -91.000 TRP 251 1.040 1.666 40.912 5.592 -99.200 -91.000 TRP6 251 1.020 1.448 41.087 3.245 -99.200 -91.000 TYR 252 0.840 1.685 44.569 10.120 -99.200 -91.000