============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 3 1.000 8.406 64.063 18.440 -99.200 -91.000 HIS 6 0.900 14.508 53.170 19.685 -99.200 -91.000 PHE 18 1.000 20.632 59.323 25.901 -99.200 -91.000 PHE 33 1.000 14.620 60.049 26.830 -99.200 -91.000 HIS 40 0.900 23.344 52.223 26.459 -99.200 -91.000 PHE 56 1.000 13.819 63.277 32.338 -99.200 -91.000 TYR 64 0.840 11.872 57.684 33.215 -99.200 -91.000 PHE 68 1.000 10.941 66.035 27.630 -99.200 -91.000 TYR 74 0.840 12.995 70.131 29.265 -99.200 -91.000 HIS 81 0.900 27.189 53.326 28.688 -99.200 -91.000 PHE 83 1.000 33.679 60.798 26.298 -99.200 -91.000