============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 28.042 102.696 -35.769 -99.200 -91.000 TYR 15 0.840 24.923 113.924 -17.052 -99.200 -91.000 TYR 32 0.840 15.134 112.056 -25.284 -99.200 -91.000 TRP 35 1.040 10.073 106.507 -29.246 -99.200 -91.000 TRP6 35 1.020 9.243 108.723 -28.945 -99.200 -91.000 HIS 36 0.900 16.938 108.874 -27.745 -99.200 -91.000 TYR 39 0.840 18.679 104.153 -33.793 -99.200 -91.000 PHE 46 1.000 18.213 95.437 -38.626 -99.200 -91.000 PHE 51 1.000 25.000 95.901 -28.026 -99.200 -91.000 PHE 62 1.000 35.691 111.839 -20.114 -99.200 -91.000 TYR 67 0.840 27.887 118.290 -15.985 -99.200 -91.000 TYR 70 0.840 21.693 119.106 -19.579 -99.200 -91.000 PHE 83 1.000 11.847 128.926 -37.128 -99.200 -91.000 PHE 110 1.000 6.315 121.705 -31.339 -99.200 -91.000 HIS 112 0.900 -0.989 121.973 -38.359 -99.200 -91.000 TYR 115 0.840 13.440 115.782 -38.084 -99.200 -91.000 TYR 120 0.840 27.410 108.001 -44.155 -99.200 -91.000 PHE 153 1.000 11.941 111.430 -50.364 -99.200 -91.000 TYR 160 0.840 11.751 110.287 -40.420 -99.200 -91.000 TYR 197 0.840 33.209 114.816 -38.615 -99.200 -91.000 HIS 199 0.900 37.966 119.152 -47.756 -99.200 -91.000 PHE 214 1.000 14.259 125.280 -47.800 -99.200 -91.000 HIS 216 0.900 10.868 135.046 -44.239 -99.200 -91.000 TRP 219 1.040 22.517 125.750 -40.729 -99.200 -91.000 TRP6 219 1.020 22.574 125.497 -43.079 -99.200 -91.000 TYR 222 0.840 27.629 120.681 -30.368 -99.200 -91.000 PHE 234 1.000 39.073 121.155 -28.339 -99.200 -91.000 TYR 256 0.840 35.009 128.769 -40.935 -99.200 -91.000 TYR 262 0.840 30.465 126.960 -36.540 -99.200 -91.000 TRP 266 1.040 24.921 129.482 -41.058 -99.200 -91.000 TRP6 266 1.020 26.787 128.381 -40.072 -99.200 -91.000 TRP 278 1.040 32.430 128.228 -19.081 -99.200 -91.000 TRP6 278 1.020 32.274 126.572 -17.381 -99.200 -91.000 PHE 281 1.000 27.247 123.813 -16.463 -99.200 -91.000 PHE 298 1.000 30.522 112.348 -6.095 -99.200 -91.000 HIS 311 0.900 38.823 124.654 -26.739 -99.200 -91.000 TYR 312 0.840 32.957 120.120 -28.737 -99.200 -91.000 TRP 319 1.040 16.532 132.134 -44.246 -99.200 -91.000 TRP6 319 1.020 17.457 130.254 -43.123 -99.200 -91.000