============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 25 1.000 15.270 14.659 43.387 -99.200 -91.000 PHE 30 1.000 7.040 17.439 44.858 -99.200 -91.000 TYR 33 0.840 -0.465 22.358 52.345 -99.200 -91.000 TYR 42 0.840 -0.295 28.754 36.020 -99.200 -91.000 HIS 53 0.900 -9.617 26.512 47.436 -99.200 -91.000 PHE 88 1.000 9.176 24.584 47.822 -99.200 -91.000 PHE 102 1.000 7.197 32.168 67.832 -99.200 -91.000 PHE 127 1.000 30.699 32.348 51.661 -99.200 -91.000 HIS 141 0.900 22.067 33.089 70.865 -99.200 -91.000 TYR 145 0.840 23.650 31.233 64.571 -99.200 -91.000 PHE 151 1.000 26.708 17.541 62.818 -99.200 -91.000 TYR 152 0.840 23.060 22.769 54.059 -99.200 -91.000 PHE 184 1.000 39.902 33.832 67.829 -99.200 -91.000 PHE 195 1.000 37.422 30.044 65.303 -99.200 -91.000 PHE 217 1.000 21.810 45.444 62.318 -99.200 -91.000 HIS 250 0.900 25.136 33.763 30.663 -99.200 -91.000 TYR 256 0.840 22.732 33.665 47.069 -99.200 -91.000 HIS 259 0.900 25.861 26.167 44.901 -99.200 -91.000 PHE 265 1.000 20.931 23.106 59.308 -99.200 -91.000 HIS 275 0.900 15.408 33.763 43.859 -99.200 -91.000 TYR 285 0.840 18.633 25.178 40.215 -99.200 -91.000 HIS 291 0.900 16.178 13.027 46.966 -99.200 -91.000 TYR 304 0.840 27.186 18.450 68.395 -99.200 -91.000 TYR 305 0.840 23.457 21.377 69.001 -99.200 -91.000