============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 -5.022 22.092 9.993 -99.200 -91.000 HIS 7 0.900 -4.573 29.435 11.232 -99.200 -91.000 TYR 14 0.840 0.789 22.285 14.049 -99.200 -91.000 HIS 44 0.900 15.435 14.829 -3.521 -99.200 -91.000 HIS 47 0.900 13.145 14.742 -0.086 -99.200 -91.000 PHE 67 1.000 14.745 14.552 14.860 -99.200 -91.000 PHE 73 1.000 23.359 12.625 9.755 -99.200 -91.000 TYR 82 0.840 20.620 15.070 4.926 -99.200 -91.000 PHE 102 1.000 6.759 16.300 14.704 -99.200 -91.000 TYR 110 0.840 16.387 10.690 19.558 -99.200 -91.000 HIS 135 0.900 21.920 4.738 8.876 -99.200 -91.000 PHE 136 1.000 19.721 0.278 7.395 -99.200 -91.000 PHE 156 1.000 2.113 8.009 0.733 -99.200 -91.000 PHE 157 1.000 9.499 5.560 4.970 -99.200 -91.000 TYR 162 0.840 14.071 -2.681 -2.436 -99.200 -91.000 PHE 175 1.000 8.544 -3.562 17.150 -99.200 -91.000 TYR 201 0.840 26.982 16.671 0.708 -99.200 -91.000 HIS 222 0.900 17.235 -2.631 -20.858 -99.200 -91.000 TYR 249 0.840 25.980 -2.406 -1.307 -99.200 -91.000 PHE 290 1.000 9.759 -14.483 -13.202 -99.200 -91.000