============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 11 1.000 -1.721 72.473 60.067 -99.200 -91.000 PHE 19 1.000 11.916 68.501 66.191 -99.200 -91.000 PHE 22 1.000 8.811 72.273 65.342 -99.200 -91.000 HIS 25 0.900 0.513 71.255 56.033 -99.200 -91.000 TYR 26 0.840 -0.085 64.783 58.832 -99.200 -91.000 HIS 39 0.900 10.150 69.739 52.608 -99.200 -91.000 TRP 48 1.040 -0.212 69.852 46.867 -99.200 -91.000 TRP6 48 1.020 -1.592 67.941 47.079 -99.200 -91.000 TYR 51 0.840 7.922 64.066 47.453 -99.200 -91.000 TYR 52 0.840 2.322 69.521 41.574 -99.200 -91.000 PHE 58 1.000 4.435 56.542 45.129 -99.200 -91.000 TYR 63 0.840 2.205 51.268 48.338 -99.200 -91.000 PHE 73 1.000 12.879 73.666 54.416 -99.200 -91.000 HIS 106 0.900 7.286 50.556 52.263 -99.200 -91.000 PHE 120 1.000 12.612 56.923 60.310 -99.200 -91.000 TYR 124 0.840 14.903 57.336 64.898 -99.200 -91.000 PHE 144 1.000 34.155 61.548 37.800 -99.200 -91.000 PHE 156 1.000 23.616 77.445 51.097 -99.200 -91.000 TYR 159 0.840 17.003 78.672 52.092 -99.200 -91.000 TYR 164 0.840 7.721 85.129 39.796 -99.200 -91.000 PHE 174 1.000 17.379 72.942 42.252 -99.200 -91.000 TYR 176 0.840 17.379 67.774 28.929 -99.200 -91.000 TRP 190 1.040 6.947 85.693 45.021 -99.200 -91.000 TRP6 190 1.020 9.105 86.111 45.901 -99.200 -91.000 HIS 199 0.900 9.364 78.274 57.902 -99.200 -91.000 PHE 203 1.000 18.571 75.962 54.615 -99.200 -91.000 TRP 215 1.040 23.191 69.201 56.313 -99.200 -91.000 TRP6 215 1.020 21.365 69.601 54.862 -99.200 -91.000 PHE 229 1.000 14.136 52.555 42.162 -99.200 -91.000 TRP 232 1.040 21.582 62.015 41.022 -99.200 -91.000 TRP6 232 1.020 22.132 61.413 43.242 -99.200 -91.000 PHE 238 1.000 20.164 70.985 45.303 -99.200 -91.000 HIS 243 0.900 27.624 63.071 46.204 -99.200 -91.000 TRP 249 1.040 30.191 51.073 43.353 -99.200 -91.000 TRP6 249 1.020 30.969 48.893 42.854 -99.200 -91.000 HIS 257 0.900 15.396 53.686 36.011 -99.200 -91.000 PHE 259 1.000 13.791 58.304 36.417 -99.200 -91.000 HIS 264 0.900 17.479 67.425 43.041 -99.200 -91.000 TRP 265 1.040 12.604 69.358 41.922 -99.200 -91.000 TRP6 265 1.020 11.270 71.217 41.330 -99.200 -91.000 TRP 268 1.040 7.088 69.025 39.040 -99.200 -91.000 TRP6 268 1.020 7.905 70.206 37.160 -99.200 -91.000 HIS 270 0.900 12.092 62.066 32.701 -99.200 -91.000 PHE 274 1.000 10.058 59.025 42.053 -99.200 -91.000 PHE 281 1.000 12.683 49.388 46.098 -99.200 -91.000 HIS 284 0.900 5.434 43.518 41.919 -99.200 -91.000