============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 15 1.000 31.493 23.597 156.722 -99.200 -91.000 TYR 25 0.840 22.686 25.112 152.558 -99.200 -91.000 HIS 54 0.900 21.771 32.647 166.227 -99.200 -91.000 HIS 57 0.900 20.529 27.089 163.109 -99.200 -91.000 HIS 85 0.900 18.595 28.687 178.202 -99.200 -91.000 PHE 93 1.000 18.133 31.783 163.920 -99.200 -91.000 HIS 97 0.900 16.163 34.828 160.929 -99.200 -91.000 TYR 108 0.840 22.439 18.308 171.931 -99.200 -91.000 TYR 109 0.840 27.165 15.734 178.221 -99.200 -91.000 TYR 118 0.840 3.727 17.139 178.564 -99.200 -91.000 HIS 120 0.900 13.759 20.507 175.058 -99.200 -91.000 TYR 121 0.840 10.706 17.525 171.978 -99.200 -91.000 TYR 135 0.840 16.559 13.448 164.512 -99.200 -91.000 PHE 154 1.000 -0.912 13.836 166.859 -99.200 -91.000 TYR 161 0.840 4.597 17.667 161.310 -99.200 -91.000 HIS 179 0.900 -0.888 1.667 171.589 -99.200 -91.000 TYR 192 0.840 8.058 -1.446 151.357 -99.200 -91.000 HIS 218 0.900 5.700 11.835 146.384 -99.200 -91.000 PHE 219 1.000 6.931 3.913 141.989 -99.200 -91.000 TYR 225 0.840 2.318 -0.300 150.665 -99.200 -91.000 TYR 236 0.840 20.813 -3.208 153.380 -99.200 -91.000 PHE 243 1.000 23.486 6.491 157.625 -99.200 -91.000 TYR 255 0.840 36.444 15.349 146.733 -99.200 -91.000 PHE 265 1.000 33.721 15.641 156.327 -99.200 -91.000 PHE 277 1.000 38.012 9.015 148.718 -99.200 -91.000 TYR 286 0.840 23.170 2.434 144.372 -99.200 -91.000 PHE 291 1.000 25.356 20.387 140.721 -99.200 -91.000