============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 1 1.000 35.223 96.849 1.495 -99.200 -91.000 TYR 5 0.840 27.935 83.409 -3.466 -99.200 -91.000 PHE 9 1.000 39.546 73.254 -6.363 -99.200 -91.000 HIS 11 0.900 45.775 65.888 -4.021 -99.200 -91.000 TYR 19 0.840 47.244 69.940 -12.473 -99.200 -91.000 HIS 20 0.900 50.329 77.394 -6.045 -99.200 -91.000 PHE 23 1.000 43.626 74.203 -9.367 -99.200 -91.000 TRP 26 1.040 39.253 78.549 -12.186 -99.200 -91.000 TRP6 26 1.020 39.094 77.691 -9.998 -99.200 -91.000 PHE 43 1.000 44.485 77.127 1.567 -99.200 -91.000 TRP 65 1.040 40.812 66.561 -2.425 -99.200 -91.000 TRP6 65 1.020 42.026 67.614 -0.696 -99.200 -91.000 TYR 74 0.840 33.215 58.682 -2.491 -99.200 -91.000 TYR 84 0.840 47.946 50.708 -22.241 -99.200 -91.000 PHE 85 1.000 38.392 56.360 -20.623 -99.200 -91.000 PHE 88 1.000 41.503 49.450 -23.973 -99.200 -91.000 TRP 111 1.040 28.357 56.872 -15.265 -99.200 -91.000 TRP6 111 1.020 30.199 56.500 -16.682 -99.200 -91.000 PHE 119 1.000 27.742 58.579 -3.505 -99.200 -91.000 PHE 126 1.000 35.076 65.420 -18.023 -99.200 -91.000 TYR 127 0.840 36.913 69.671 -20.730 -99.200 -91.000 TRP 128 1.040 41.727 71.562 -14.611 -99.200 -91.000 TRP6 128 1.020 43.231 73.203 -13.853 -99.200 -91.000 TYR 132 0.840 49.200 59.773 -23.307 -99.200 -91.000 HIS 134 0.900 55.391 57.201 -20.774 -99.200 -91.000 PHE 135 1.000 54.821 49.870 -15.903 -99.200 -91.000 TRP 160 1.040 45.370 55.453 -9.223 -99.200 -91.000 TRP6 160 1.020 46.525 56.634 -10.902 -99.200 -91.000 PHE 176 1.000 56.184 62.184 -6.234 -99.200 -91.000 TYR 180 0.840 66.596 59.530 -3.949 -99.200 -91.000 TYR 195 0.840 59.726 61.142 -19.807 -99.200 -91.000 TYR 199 0.840 64.755 67.492 -13.799 -99.200 -91.000 TYR 204 0.840 67.341 63.283 -11.836 -99.200 -91.000 TYR 209 0.840 67.099 50.642 -18.359 -99.200 -91.000 HIS 214 0.900 51.597 52.661 -17.128 -99.200 -91.000 PHE 215 1.000 47.287 53.846 -14.710 -99.200 -91.000 PHE 220 1.000 36.786 63.098 -13.605 -99.200 -91.000 TRP 227 1.040 30.640 77.503 -2.210 -99.200 -91.000 TRP6 227 1.020 31.632 77.849 -4.324 -99.200 -91.000 PHE 228 1.000 28.053 74.847 -10.010 -99.200 -91.000 TYR 235 0.840 28.502 86.165 -9.753 -99.200 -91.000 TYR 260 0.840 59.666 68.888 -15.988 -99.200 -91.000 PHE 281 1.000 53.193 46.326 -21.225 -99.200 -91.000 TYR 288 0.840 39.233 49.042 -18.974 -99.200 -91.000