============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.228 55.217 -0.265 -99.200 -91.000 PHE 14 1.000 97.227 61.530 29.983 -99.200 -91.000 HIS 24 0.900 90.538 50.997 4.029 -99.200 -91.000 TYR 38 0.840 80.229 30.782 15.499 -99.200 -91.000 TYR 56 0.840 73.293 7.182 20.695 -99.200 -91.000 PHE 70 1.000 76.263 11.589 21.075 -99.200 -91.000 TRP 80 1.040 79.785 24.941 14.610 -99.200 -91.000 TRP6 80 1.020 79.582 24.067 16.806 -99.200 -91.000 TYR 89 0.840 86.040 14.412 6.964 -99.200 -91.000 HIS 91 0.900 79.746 8.789 13.386 -99.200 -91.000 TYR 102 0.840 92.022 11.205 8.966 -99.200 -91.000 TYR 104 0.840 84.267 7.635 16.453 -99.200 -91.000 TRP 121 1.040 94.137 26.740 28.520 -99.200 -91.000 TRP6 121 1.020 96.003 27.807 29.513 -99.200 -91.000 HIS 124 0.900 93.641 34.334 24.946 -99.200 -91.000 TYR 133 0.840 82.244 28.880 11.571 -99.200 -91.000 HIS 136 0.900 88.390 21.902 12.329 -99.200 -91.000 TYR 144 0.840 93.886 32.129 7.912 -99.200 -91.000 TYR 147 0.840 102.015 21.578 7.854 -99.200 -91.000 HIS 162 0.900 108.362 25.835 -8.473 -99.200 -91.000 TYR 172 0.840 113.465 29.923 5.215 -99.200 -91.000 TYR 179 0.840 103.935 32.775 11.295 -99.200 -91.000 TYR 182 0.840 103.986 41.411 2.887 -99.200 -91.000 TYR 187 0.840 116.250 35.761 14.398 -99.200 -91.000 PHE 190 1.000 103.868 26.971 15.353 -99.200 -91.000 PHE 193 1.000 109.967 33.549 20.774 -99.200 -91.000 TYR 227 0.840 118.323 41.206 14.998 -99.200 -91.000 PHE 230 1.000 110.393 44.606 15.508 -99.200 -91.000 PHE 246 1.000 93.950 45.414 20.947 -99.200 -91.000 HIS 248 0.900 104.088 45.557 24.479 -99.200 -91.000 PHE 253 1.000 107.751 48.316 22.481 -99.200 -91.000 TRP 256 1.040 103.918 43.238 32.226 -99.200 -91.000 TRP6 256 1.020 102.129 42.198 31.079 -99.200 -91.000 TRP 268 1.040 102.289 36.174 30.445 -99.200 -91.000 TRP6 268 1.020 101.447 34.530 31.915 -99.200 -91.000 TRP 269 1.040 96.367 34.890 31.650 -99.200 -91.000 TRP6 269 1.020 96.855 33.062 33.065 -99.200 -91.000 TYR 281 0.840 94.378 19.131 24.696 -99.200 -91.000 HIS 309 0.900 92.460 36.349 18.506 -99.200 -91.000 PHE 317 1.000 84.907 41.427 13.225 -99.200 -91.000 TYR 325 0.840 75.657 24.261 19.962 -99.200 -91.000