============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 2 1.040 -1.700 70.516 3.202 -99.200 -91.000 TRP6 2 1.020 -0.029 71.450 1.809 -99.200 -91.000 TYR 5 0.840 5.039 62.833 5.530 -99.200 -91.000 TYR 6 0.840 11.864 68.133 2.576 -99.200 -91.000 TRP 10 1.040 16.199 48.157 11.353 -99.200 -91.000 TRP6 10 1.020 14.821 46.465 12.260 -99.200 -91.000 TYR 18 0.840 7.866 39.720 3.596 -99.200 -91.000 TRP 20 1.040 6.171 35.203 0.219 -99.200 -91.000 TRP6 20 1.020 5.133 34.488 2.212 -99.200 -91.000 TYR 21 0.840 12.684 41.071 -3.232 -99.200 -91.000 TYR 31 0.840 9.634 59.749 9.075 -99.200 -91.000 PHE 32 1.000 5.564 61.356 14.986 -99.200 -91.000 PHE 38 1.000 6.533 49.522 7.383 -99.200 -91.000 PHE 49 1.000 2.004 32.239 7.543 -99.200 -91.000 TYR 63 0.840 0.365 34.617 40.544 -99.200 -91.000 PHE 65 1.000 -2.188 29.686 36.913 -99.200 -91.000 TYR 67 0.840 -6.109 31.538 32.623 -99.200 -91.000 TYR 70 0.840 -13.793 24.718 30.435 -99.200 -91.000 TYR 79 0.840 -16.426 33.228 33.032 -99.200 -91.000 TYR 85 0.840 3.700 23.960 29.897 -99.200 -91.000 HIS 101 0.900 -4.473 20.074 41.144 -99.200 -91.000 TRP 102 1.040 -11.224 21.772 36.715 -99.200 -91.000 TRP6 102 1.020 -12.511 22.699 34.978 -99.200 -91.000 TYR 107 0.840 -18.004 32.903 43.682 -99.200 -91.000 TYR 129 0.840 -15.939 16.887 34.371 -99.200 -91.000 HIS 157 0.900 5.758 20.516 30.791 -99.200 -91.000 PHE 159 1.000 12.569 9.889 29.647 -99.200 -91.000 TRP 164 1.040 -0.685 0.528 25.357 -99.200 -91.000 TRP6 164 1.020 -1.994 1.377 27.105 -99.200 -91.000 TYR 171 0.840 4.049 12.107 26.769 -99.200 -91.000 TYR 173 0.840 11.764 20.024 21.740 -99.200 -91.000 PHE 176 1.000 10.586 22.054 17.314 -99.200 -91.000 TYR 187 0.840 16.659 25.621 27.449 -99.200 -91.000 PHE 195 1.000 14.887 11.654 20.952 -99.200 -91.000 PHE 198 1.000 12.401 8.982 25.279 -99.200 -91.000 PHE 206 1.000 9.719 9.743 20.892 -99.200 -91.000 TYR 212 0.840 -1.105 22.936 25.499 -99.200 -91.000 TYR 241 0.840 17.099 31.930 3.749 -99.200 -91.000 PHE 254 1.000 15.965 12.305 8.102 -99.200 -91.000 TYR 271 0.840 1.268 6.113 16.762 -99.200 -91.000 TYR 291 0.840 13.462 10.990 4.134 -99.200 -91.000 TYR 304 0.840 2.705 28.454 3.376 -99.200 -91.000 PHE 310 1.000 16.145 39.715 9.842 -99.200 -91.000 HIS 312 0.900 14.656 50.287 15.461 -99.200 -91.000 PHE 317 1.000 10.600 47.257 16.181 -99.200 -91.000 TYR 327 0.840 10.097 24.716 -1.191 -99.200 -91.000 TYR 335 0.840 3.466 22.627 6.354 -99.200 -91.000 PHE 339 1.000 1.509 18.844 7.757 -99.200 -91.000 TYR 343 0.840 -6.383 7.517 13.773 -99.200 -91.000 TYR 345 0.840 -9.242 10.847 19.901 -99.200 -91.000 TYR 350 0.840 -12.640 12.991 24.129 -99.200 -91.000 TYR 354 0.840 -7.313 19.749 30.102 -99.200 -91.000 PHE 357 1.000 0.994 18.291 29.198 -99.200 -91.000