============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 29 0.840 14.065 17.503 39.472 -99.200 -91.000 PHE 37 1.000 20.689 9.062 40.812 -99.200 -91.000 TYR 58 0.840 9.165 14.109 56.690 -99.200 -91.000 PHE 61 1.000 10.916 3.645 49.936 -99.200 -91.000 PHE 67 1.000 23.486 2.488 53.223 -99.200 -91.000 HIS 72 0.900 6.738 15.369 52.845 -99.200 -91.000 TYR 79 0.840 7.448 6.426 46.063 -99.200 -91.000 HIS 91 0.900 4.636 16.018 34.606 -99.200 -91.000 HIS 93 0.900 10.273 14.223 38.348 -99.200 -91.000 PHE 98 1.000 12.430 -3.161 43.518 -99.200 -91.000 TYR 105 0.840 8.502 10.839 43.971 -99.200 -91.000 PHE 111 1.000 6.039 22.249 44.882 -99.200 -91.000 TRP 114 1.040 13.275 9.343 46.893 -99.200 -91.000 TRP6 114 1.020 14.267 7.582 45.668 -99.200 -91.000 TYR 125 0.840 15.006 13.726 58.255 -99.200 -91.000 PHE 126 1.000 11.337 11.395 60.663 -99.200 -91.000 TYR 137 0.840 -8.072 7.089 71.151 -99.200 -91.000 PHE 140 1.000 -3.128 14.399 69.671 -99.200 -91.000 PHE 145 1.000 -4.572 18.838 70.838 -99.200 -91.000 TYR 159 0.840 -0.008 25.614 67.963 -99.200 -91.000 TYR 173 0.840 -7.577 13.084 55.588 -99.200 -91.000 TRP 179 1.040 -18.811 19.733 59.370 -99.200 -91.000 TRP6 179 1.020 -19.487 17.483 59.673 -99.200 -91.000 HIS 184 0.900 -14.310 30.369 61.909 -99.200 -91.000 HIS 198 0.900 -12.428 13.987 75.708 -99.200 -91.000 HIS 201 0.900 -6.649 13.193 72.376 -99.200 -91.000 TYR 234 0.840 -10.030 19.633 50.365 -99.200 -91.000 HIS 259 0.900 -12.649 23.656 51.276 -99.200 -91.000 PHE 260 1.000 -16.503 28.771 57.648 -99.200 -91.000