============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -28.866 -87.173 47.772 -99.200 -91.000 PHE 24 1.000 -20.882 -95.617 45.095 -99.200 -91.000 TYR 33 0.840 -11.126 -75.626 39.235 -99.200 -91.000 TYR 36 0.840 -17.481 -74.846 32.031 -99.200 -91.000 PHE 42 1.000 -19.847 -81.573 49.135 -99.200 -91.000 PHE 55 1.000 -25.504 -91.162 42.665 -99.200 -91.000 HIS 59 0.900 -33.359 -83.331 39.192 -99.200 -91.000 HIS 63 0.900 -35.864 -83.305 42.282 -99.200 -91.000 HIS 68 0.900 -35.638 -73.985 35.748 -99.200 -91.000 TYR 72 0.840 -28.230 -80.051 32.439 -99.200 -91.000 TRP 77 1.040 -13.761 -79.382 34.063 -99.200 -91.000 TRP6 77 1.020 -12.993 -78.370 32.070 -99.200 -91.000 TRP 86 1.040 -17.096 -97.767 30.375 -99.200 -91.000 TRP6 86 1.020 -18.034 -98.825 28.479 -99.200 -91.000 TYR 100 0.840 -41.764 -97.615 24.566 -99.200 -91.000 PHE 105 1.000 -36.002 -99.992 34.861 -99.200 -91.000 PHE 111 1.000 -30.387 -85.575 21.692 -99.200 -91.000 TYR 120 0.840 -28.609 -75.737 24.337 -99.200 -91.000 PHE 122 1.000 -17.922 -79.554 28.825 -99.200 -91.000 PHE 123 1.000 -14.678 -78.470 22.563 -99.200 -91.000 HIS 130 0.900 -19.704 -76.598 14.514 -99.200 -91.000 PHE 137 1.000 -29.315 -91.587 24.128 -99.200 -91.000 HIS 157 0.900 -41.203-101.039 26.198 -99.200 -91.000 TYR 162 0.840 -35.315 -87.764 27.501 -99.200 -91.000 PHE 170 1.000 -44.633 -82.576 35.005 -99.200 -91.000 TRP 179 1.040 -44.090 -82.595 23.355 -99.200 -91.000 TRP6 179 1.020 -43.216 -80.774 22.118 -99.200 -91.000 TYR 183 0.840 -41.390 -82.220 17.174 -99.200 -91.000 TYR 206 0.840 -25.453 -89.340 28.863 -99.200 -91.000 TYR 215 0.840 -49.279 -94.873 31.295 -99.200 -91.000 PHE 218 1.000 -50.688 -88.266 25.166 -99.200 -91.000 TYR 244 0.840 -23.780-104.964 42.825 -99.200 -91.000