============================================================================= 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 4 1.000 13.636 47.726 50.610 -99.200 -91.000 HIS 5 0.900 14.821 55.066 52.226 -99.200 -91.000 TYR 12 0.840 19.497 47.673 54.812 -99.200 -91.000 HIS 42 0.900 34.270 39.600 37.276 -99.200 -91.000 HIS 45 0.900 32.012 39.601 40.663 -99.200 -91.000 PHE 65 1.000 33.320 39.436 55.573 -99.200 -91.000 PHE 71 1.000 41.366 36.473 50.752 -99.200 -91.000 TYR 80 0.840 39.693 39.494 46.392 -99.200 -91.000 PHE 100 1.000 25.305 41.385 55.460 -99.200 -91.000 TYR 108 0.840 34.760 35.261 60.091 -99.200 -91.000 HIS 133 0.900 39.619 29.243 48.876 -99.200 -91.000 PHE 134 1.000 37.567 25.254 47.650 -99.200 -91.000 PHE 154 1.000 20.391 33.542 41.665 -99.200 -91.000 PHE 155 1.000 27.710 30.760 45.879 -99.200 -91.000 TYR 160 0.840 32.042 22.288 37.948 -99.200 -91.000 PHE 173 1.000 26.648 21.469 57.543 -99.200 -91.000 TYR 199 0.840 45.934 42.065 40.626 -99.200 -91.000 HIS 220 0.900 34.093 22.214 19.909 -99.200 -91.000 TYR 247 0.840 43.967 22.442 39.210 -99.200 -91.000 PHE 288 1.000 30.212 16.436 15.071 -99.200 -91.000