============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 7 1.000 24.600 -10.456 24.656 -99.200 -91.000 PHE 10 1.000 19.052 -9.624 28.726 -99.200 -91.000 TYR 18 0.840 15.103 -9.438 40.883 -99.200 -91.000 TYR 21 0.840 9.304 -8.549 39.704 -99.200 -91.000 PHE 24 1.000 5.999 -2.952 37.599 -99.200 -91.000 PHE 33 1.000 7.068 -9.206 30.597 -99.200 -91.000 TYR 44 0.840 4.309 1.027 17.468 -99.200 -91.000 HIS 51 0.900 10.461 -10.353 23.352 -99.200 -91.000 TRP 53 1.040 13.736 -0.436 28.354 -99.200 -91.000 TRP6 53 1.020 13.623 -1.427 30.501 -99.200 -91.000 TYR 57 0.840 18.298 -6.861 16.922 -99.200 -91.000 PHE 59 1.000 15.788 -12.647 20.556 -99.200 -91.000 HIS 82 0.900 20.146 -14.736 17.274 -99.200 -91.000 PHE 90 1.000 21.690 -11.097 33.714 -99.200 -91.000 TRP 102 1.040 15.001 -23.213 31.260 -99.200 -91.000 TRP6 102 1.020 13.037 -23.544 32.525 -99.200 -91.000 PHE 116 1.000 5.148 -23.139 26.544 -99.200 -91.000 TYR 138 0.840 2.451 -10.764 21.090 -99.200 -91.000 PHE 142 1.000 5.952 -19.590 22.592 -99.200 -91.000 TRP 145 1.040 1.343 -19.154 27.356 -99.200 -91.000 TRP6 145 1.020 2.660 -19.949 29.174 -99.200 -91.000 TRP 149 1.040 -1.502 -18.069 31.698 -99.200 -91.000 TRP6 149 1.020 -0.083 -18.083 33.607 -99.200 -91.000 PHE 158 1.000 0.203 -19.457 38.963 -99.200 -91.000 TRP 171 1.040 8.545 1.098 28.721 -99.200 -91.000 TRP6 171 1.020 8.151 -1.230 28.558 -99.200 -91.000 PHE 181 1.000 20.128 4.148 19.841 -99.200 -91.000 PHE 192 1.000 11.759 9.023 4.719 -99.200 -91.000 PHE 226 1.000 14.689 10.612 0.891 -99.200 -91.000 TYR 242 0.840 24.827 1.842 21.609 -99.200 -91.000 PHE 244 1.000 21.959 5.752 9.720 -99.200 -91.000 PHE 246 1.000 21.285 3.847 4.852 -99.200 -91.000 TRP 251 1.040 7.786 4.747 6.527 -99.200 -91.000 TRP6 251 1.020 7.876 7.104 6.679 -99.200 -91.000 TYR 253 0.840 2.411 8.178 11.831 -99.200 -91.000 PHE 263 1.000 -8.613 19.733 6.240 -99.200 -91.000 TYR 277 0.840 -9.799 21.780 -2.827 -99.200 -91.000 TYR 290 0.840 18.715 4.401 13.881 -99.200 -91.000 TYR 293 0.840 14.618 3.798 21.821 -99.200 -91.000 PHE 301 1.000 3.660 21.336 4.377 -99.200 -91.000 TYR 312 0.840 1.315 27.688 10.581 -99.200 -91.000 PHE 314 1.000 -3.910 31.058 19.733 -99.200 -91.000 TYR 337 0.840 -6.700 19.407 26.997 -99.200 -91.000 TYR 343 0.840 -1.397 31.148 25.658 -99.200 -91.000 PHE 355 1.000 -5.991 22.747 21.817 -99.200 -91.000 PHE 367 1.000 2.639 7.698 16.960 -99.200 -91.000 PHE 372 1.000 3.304 10.832 31.074 -99.200 -91.000 TYR 380 0.840 -3.299 7.382 34.904 -99.200 -91.000 PHE 389 1.000 6.012 14.294 27.678 -99.200 -91.000 PHE 393 1.000 -0.616 22.600 19.629 -99.200 -91.000 PHE 395 1.000 -6.787 25.945 17.978 -99.200 -91.000 TYR 407 0.840 -9.560 27.675 8.395 -99.200 -91.000 PHE 427 1.000 10.079 22.677 19.840 -99.200 -91.000 TYR 431 0.840 9.975 20.742 6.621 -99.200 -91.000 PHE 440 1.000