============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 11.349 1.954 -17.401 -99.200 -91.000 PHE 21 1.000 -7.768 15.112 -22.087 -99.200 -91.000 PHE 27 1.000 -9.795 33.082 -24.171 -99.200 -91.000 TYR 38 0.840 9.021 27.178 -22.697 -99.200 -91.000 PHE 50 1.000 6.094 3.210 -16.363 -99.200 -91.000 TYR 53 0.840 -0.813 6.533 -20.270 -99.200 -91.000 HIS 57 0.900 -1.997 0.311 -20.238 -99.200 -91.000 PHE 59 1.000 -5.538 -3.134 -10.652 -99.200 -91.000 HIS 77 0.900 6.035 16.896 -12.295 -99.200 -91.000 TYR 79 0.840 -0.198 23.776 -9.490 -99.200 -91.000 HIS 83 0.900 1.791 28.794 -9.849 -99.200 -91.000 HIS 102 0.900 11.167 32.710 -13.514 -99.200 -91.000 PHE 105 1.000 6.188 31.628 -22.990 -99.200 -91.000 PHE 122 1.000 -8.479 19.345 -9.306 -99.200 -91.000 HIS 168 0.900 22.011 23.152 8.440 -99.200 -91.000 HIS 178 0.900 12.688 14.761 -0.036 -99.200 -91.000 HIS 180 0.900 3.015 15.005 4.142 -99.200 -91.000 TYR 211 0.840 5.771 0.356 -7.515 -99.200 -91.000 PHE 219 1.000 11.422 7.825 -9.638 -99.200 -91.000 TYR 233 0.840 16.763 10.704 1.611 -99.200 -91.000 TYR 276 0.840 14.876 5.166 -15.181 -99.200 -91.000