============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 2 1.000 -25.339 8.078 -19.328 -99.200 -91.000 HIS 21 0.900 -36.273 4.351 -17.775 -99.200 -91.000 PHE 29 1.000 -34.885 22.640 -18.814 -99.200 -91.000 PHE 35 1.000 -29.439 18.516 -26.652 -99.200 -91.000 PHE 36 1.000 -26.738 22.394 -19.712 -99.200 -91.000 HIS 44 0.900 -44.458 28.040 -5.166 -99.200 -91.000 TRP 47 1.040 -46.454 24.640 -14.383 -99.200 -91.000 TRP6 47 1.020 -48.735 24.086 -14.757 -99.200 -91.000 TYR 54 0.840 -38.349 33.048 -22.353 -99.200 -91.000 HIS 65 0.900 -47.366 29.794 -8.228 -99.200 -91.000 PHE 69 1.000 -36.277 25.760 -9.909 -99.200 -91.000 TYR 88 0.840 -32.770 12.821 -13.251 -99.200 -91.000 PHE 101 1.000 -34.678 8.844 -18.103 -99.200 -91.000 HIS 107 0.900 -24.885 21.299 -6.873 -99.200 -91.000