============================================================================= 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. TYR 21 0.840 16.159 38.150 78.665 -99.200 -91.000 PHE 34 1.000 0.875 25.791 72.110 -99.200 -91.000 HIS 50 0.900 21.706 31.449 70.444 -99.200 -91.000 PHE 55 1.000 20.683 36.459 81.562 -99.200 -91.000 TYR 67 0.840 -2.239 23.715 73.558 -99.200 -91.000 PHE 95 1.000 -18.738 37.759 73.112 -99.200 -91.000 TYR 111 0.840 -1.088 16.626 75.202 -99.200 -91.000 PHE 116 1.000 -0.746 28.440 91.100 -99.200 -91.000 HIS 130 0.900 -14.452 30.423 78.750 -99.200 -91.000 PHE 131 1.000 -7.315 27.202 81.854 -99.200 -91.000 HIS 139 0.900 -13.707 26.665 91.700 -99.200 -91.000 PHE 154 1.000 -2.296 51.969 96.564 -99.200 -91.000 PHE 157 1.000 2.058 54.946 90.025 -99.200 -91.000 HIS 161 0.900 3.849 62.331 98.647 -99.200 -91.000 PHE 162 1.000 4.824 59.066 102.403 -99.200 -91.000 HIS 177 0.900 -5.285 44.744 85.666 -99.200 -91.000 PHE 197 1.000 4.311 58.352 106.444 -99.200 -91.000 HIS 214 0.900 0.760 57.745 88.269 -99.200 -91.000 TRP 219 1.040 -5.057 50.617 81.474 -99.200 -91.000 TRP6 219 1.020 -5.357 50.618 79.108 -99.200 -91.000 TYR 232 0.840 7.048 44.803 76.273 -99.200 -91.000 PHE 233 1.000 10.643 45.464 78.861 -99.200 -91.000 TYR 246 0.840 2.314 25.375 92.328 -99.200 -91.000 PHE 259 1.000 -14.863 29.776 93.312 -99.200 -91.000 HIS 263 0.900 -12.100 34.425 103.175 -99.200 -91.000 TYR 264 0.840 -11.828 40.543 100.901 -99.200 -91.000 TYR 270 0.840 -11.483 31.824 89.744 -99.200 -91.000