============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 10 1.040 -14.769 -43.044 -5.000 -99.200 -91.000 TRP6 10 1.020 -15.291 -42.517 -7.250 -99.200 -91.000 TYR 15 0.840 -7.229 -49.557 12.114 -99.200 -91.000 TYR 42 0.840 4.706 -50.447 7.110 -99.200 -91.000 TRP 66 1.040 22.809 -28.376 -1.509 -99.200 -91.000 TRP6 66 1.020 24.957 -27.846 -2.330 -99.200 -91.000 PHE 80 1.000 14.244 -24.156 1.808 -99.200 -91.000 TYR 111 0.840 21.022 -43.002 10.584 -99.200 -91.000 PHE 119 1.000 13.585 -45.805 2.812 -99.200 -91.000 TYR 126 0.840 8.540 -53.413 5.437 -99.200 -91.000 PHE 137 1.000 5.632 -47.407 -2.888 -99.200 -91.000 HIS 141 0.900 12.193 -38.212 -4.242 -99.200 -91.000 PHE 149 1.000 2.671 -49.658 -11.070 -99.200 -91.000 HIS 164 0.900 -2.216 -53.941 13.335 -99.200 -91.000 TYR 170 0.840 -2.413 -42.403 11.725 -99.200 -91.000 HIS 173 0.900 2.043 -39.894 9.150 -99.200 -91.000 PHE 178 1.000 9.855 -30.286 11.642 -99.200 -91.000 PHE 180 1.000 15.936 -28.508 10.460 -99.200 -91.000 TRP 193 1.040 -5.934 -26.152 10.901 -99.200 -91.000 TRP6 193 1.020 -4.147 -27.123 9.700 -99.200 -91.000 TYR 212 0.840 -4.384 -29.981 -6.683 -99.200 -91.000 PHE 239 1.000 -7.379 -30.772 1.703 -99.200 -91.000 TRP 248 1.040 -22.705 -42.442 2.161 -99.200 -91.000 TRP6 248 1.020 -21.667 -44.543 1.830 -99.200 -91.000 PHE 250 1.000 -16.462 -41.936 11.016 -99.200 -91.000 PHE 252 1.000 -26.505 -43.269 4.926 -99.200 -91.000 PHE 253 1.000 -22.126 -48.747 5.293 -99.200 -91.000 PHE 265 1.000 -17.419 -68.584 17.015 -99.200 -91.000 TRP 271 1.040 -10.476 -87.111 16.439 -99.200 -91.000 TRP6 271 1.020 -11.215 -89.141 17.412 -99.200 -91.000 PHE 272 1.000 -5.629 -90.416 15.713 -99.200 -91.000 TYR 302 0.840 -18.453 -73.899 15.002 -99.200 -91.000 PHE 324 1.000 -18.450 -62.124 12.131 -99.200 -91.000