============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 6 1.000 66.249 77.406 -14.803 -99.200 -91.000 PHE 22 1.000 76.161 68.824 -7.531 -99.200 -91.000 TYR 71 0.840 86.796 66.646 -1.542 -99.200 -91.000 HIS 74 0.900 83.163 55.874 5.904 -99.200 -91.000 TYR 76 0.840 88.493 66.090 3.282 -99.200 -91.000 PHE 86 1.000 78.994 68.890 13.902 -99.200 -91.000 TYR 108 0.840 74.735 66.950 10.250 -99.200 -91.000 PHE 109 1.000 83.310 64.940 3.906 -99.200 -91.000 TYR 115 0.840 81.383 76.789 9.440 -99.200 -91.000 HIS 128 0.900 70.036 62.345 1.850 -99.200 -91.000 PHE 154 1.000 58.264 76.577 -4.783 -99.200 -91.000 TYR 163 0.840 54.135 87.266 -12.444 -99.200 -91.000 PHE 165 1.000 53.471 82.911 -7.006 -99.200 -91.000 PHE 193 1.000 66.057 83.117 -10.386 -99.200 -91.000 PHE 204 1.000 41.287 87.281 5.709 -99.200 -91.000 PHE 238 1.000 48.233 96.048 -2.322 -99.200 -91.000 PHE 240 1.000 47.619 86.689 -7.601 -99.200 -91.000 PHE 244 1.000 48.577 88.794 -12.481 -99.200 -91.000 PHE 265 1.000 52.445 88.313 -7.144 -99.200 -91.000 PHE 267 1.000 51.284 83.124 -2.167 -99.200 -91.000 TYR 277 0.840 54.742 75.322 -5.628 -99.200 -91.000 PHE 286 1.000 52.266 81.996 -14.708 -99.200 -91.000 TYR 313 0.840 73.073 72.205 -16.487 -99.200 -91.000