============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.758 6.198 18.344 -99.200 -91.000 TRP6 14 1.020 7.524 8.055 19.162 -99.200 -91.000 PHE 19 1.000 12.718 -5.696 3.242 -99.200 -91.000 TRP 37 1.040 23.383 10.166 14.044 -99.200 -91.000 TRP6 37 1.020 25.207 8.651 13.958 -99.200 -91.000 HIS 43 0.900 19.414 -8.933 19.286 -99.200 -91.000 TYR 47 0.840 24.393 -14.656 18.794 -99.200 -91.000 TRP 49 1.040 22.733 -18.539 16.301 -99.200 -91.000 TRP6 49 1.020 20.577 -17.627 16.638 -99.200 -91.000 PHE 53 1.000 22.741 -9.567 8.167 -99.200 -91.000 HIS 65 0.900 -0.799 0.540 10.105 -99.200 -91.000 TYR 70 0.840 7.256 1.680 -2.176 -99.200 -91.000 TYR 84 0.840 29.704 4.884 13.699 -99.200 -91.000 HIS 86 0.900 29.406 -0.269 24.415 -99.200 -91.000 TYR 89 0.840 26.780 -7.540 20.754 -99.200 -91.000 TRP 91 1.040 30.409 -11.233 20.105 -99.200 -91.000 TRP6 91 1.020 31.400 -13.364 19.767 -99.200 -91.000 PHE 110 1.000 12.515 14.634 11.465 -99.200 -91.000 TYR 113 0.840 1.412 9.299 7.443 -99.200 -91.000 HIS 115 0.900 8.306 14.469 15.272 -99.200 -91.000 TYR 132 0.840 6.307 4.660 37.766 -99.200 -91.000 TRP 139 1.040 5.672 -3.997 10.981 -99.200 -91.000 TRP6 139 1.020 7.259 -2.250 11.140 -99.200 -91.000 TRP 146 1.040 2.697 -20.065 12.439 -99.200 -91.000 TRP6 146 1.020 4.756 -18.923 12.688 -99.200 -91.000 PHE 184 1.000 14.150 -1.683 30.738 -99.200 -91.000 TYR 188 0.840 0.651 -7.066 32.136 -99.200 -91.000 PHE 207 1.000 9.644 -0.681 28.138 -99.200 -91.000 PHE 213 1.000 7.581 14.116 35.934 -99.200 -91.000 TRP 217 1.040 4.666 9.192 23.208 -99.200 -91.000 TRP6 217 1.020 3.908 7.177 24.193 -99.200 -91.000 TYR 218 0.840 11.743 11.973 27.470 -99.200 -91.000 TRP 225 1.040 18.661 -10.987 26.964 -99.200 -91.000 TRP6 225 1.020 18.082 -12.444 28.747 -99.200 -91.000 TYR 235 0.840 8.938 -11.856 34.589 -99.200 -91.000 PHE 237 1.000 15.846 -10.433 31.456 -99.200 -91.000 TYR 238 0.840 12.014 -4.964 26.837 -99.200 -91.000 HIS 240 0.900 18.894 1.799 32.272 -99.200 -91.000 PHE 242 1.000 20.739 8.263 32.182 -99.200 -91.000 TRP 247 1.040 29.222 3.710 22.289 -99.200 -91.000 TRP6 247 1.020 27.443 2.983 20.896 -99.200 -91.000 PHE 255 1.000 25.485 19.619 20.158 -99.200 -91.000