============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 38.304 33.478 129.074 -99.200 -91.000 PHE 14 1.000 31.906 33.154 149.051 -99.200 -91.000 PHE 34 1.000 17.705 44.299 151.235 -99.200 -91.000 HIS 37 0.900 12.843 54.480 141.647 -99.200 -91.000 TYR 38 0.840 18.933 50.207 142.433 -99.200 -91.000 TYR 41 0.840 23.066 54.682 131.470 -99.200 -91.000 TRP 46 1.040 21.976 56.262 136.128 -99.200 -91.000 TRP6 46 1.020 21.442 53.962 136.262 -99.200 -91.000 TRP 84 1.040 17.902 52.232 115.244 -99.200 -91.000 TRP6 84 1.020 19.217 50.942 113.754 -99.200 -91.000 PHE 87 1.000 24.872 50.562 113.728 -99.200 -91.000 TRP 90 1.040 29.393 50.744 119.844 -99.200 -91.000 TRP6 90 1.020 31.115 51.114 121.431 -99.200 -91.000 TRP 93 1.040 33.733 54.483 119.243 -99.200 -91.000 TRP6 93 1.020 34.494 54.411 121.483 -99.200 -91.000 TYR 122 0.840 20.497 39.970 151.605 -99.200 -91.000 TRP 128 1.040 26.826 33.106 151.360 -99.200 -91.000 TRP6 128 1.020 28.522 33.610 152.934 -99.200 -91.000 PHE 141 1.000 28.595 34.736 129.038 -99.200 -91.000 TYR 144 0.840 35.480 33.352 124.440 -99.200 -91.000 TYR 145 0.840 30.627 36.967 124.403 -99.200 -91.000 TYR 152 0.840 34.082 37.218 114.454 -99.200 -91.000 TYR 154 0.840 38.995 47.542 106.715 -99.200 -91.000 TYR 162 0.840 39.515 38.208 88.248 -99.200 -91.000 PHE 170 1.000 34.417 46.138 104.686 -99.200 -91.000 TYR 171 0.840 32.969 38.786 109.123 -99.200 -91.000 TRP 183 1.040 13.057 34.245 136.638 -99.200 -91.000 TRP6 183 1.020 13.741 32.365 137.906 -99.200 -91.000 PHE 185 1.000 22.716 30.753 135.752 -99.200 -91.000 PHE 190 1.000 20.776 43.016 132.178 -99.200 -91.000 PHE 220 1.000 22.290 48.792 131.255 -99.200 -91.000 PHE 223 1.000 26.952 46.954 130.924 -99.200 -91.000 HIS 224 0.900 27.061 56.894 133.993 -99.200 -91.000 PHE 228 1.000 30.289 49.726 127.365 -99.200 -91.000 PHE 235 1.000 18.164 48.602 134.207 -99.200 -91.000 TYR 246 0.840 6.475 49.880 121.157 -99.200 -91.000 HIS 250 0.900 9.799 50.275 116.649 -99.200 -91.000 PHE 255 1.000 21.090 43.139 117.763 -99.200 -91.000 PHE 258 1.000 13.273 34.840 125.225 -99.200 -91.000 TYR 269 0.840 13.140 31.410 115.017 -99.200 -91.000 TRP 281 1.040 15.650 45.257 110.021 -99.200 -91.000 TRP6 281 1.020 16.218 47.508 110.472 -99.200 -91.000 PHE 282 1.000 14.077 39.190 104.354 -99.200 -91.000 TYR 286 0.840 21.137 35.437 116.459 -99.200 -91.000 PHE 303 1.000 26.643 1.789 140.569 -99.200 -91.000 TYR 315 0.840 17.410 17.765 144.111 -99.200 -91.000 PHE 317 1.000 18.796 30.259 141.275 -99.200 -91.000 TYR 335 0.840 15.211 2.242 139.817 -99.200 -91.000 TYR 375 0.840 4.964 21.344 135.360 -99.200 -91.000 TYR 397 0.840 7.829 33.384 147.314 -99.200 -91.000 PHE 398 1.000 12.668 29.533 152.717 -99.200 -91.000 PHE 404 1.000 6.883 13.483 141.764 -99.200 -91.000 PHE 419 1.000 14.237 27.510 135.081 -99.200 -91.000 PHE 431 1.000 24.948 4.434 127.144 -99.200 -91.000 TYR 443 0.840