============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 2 0.840 -5.579 26.650 54.022 -99.200 -91.000 HIS 6 0.900 -12.185 26.990 61.355 -99.200 -91.000 HIS 14 0.900 -21.310 27.523 45.484 -99.200 -91.000 PHE 16 1.000 -11.441 27.785 47.891 -99.200 -91.000 PHE 36 1.000 -16.917 14.340 61.004 -99.200 -91.000 TYR 63 0.840 -26.968 16.293 58.816 -99.200 -91.000 PHE 71 1.000 -18.774 14.255 55.458 -99.200 -91.000 PHE 81 1.000 -4.418 22.580 49.707 -99.200 -91.000 HIS 83 0.900 1.748 18.478 43.699 -99.200 -91.000 TYR 105 0.840 -10.167 2.686 44.107 -99.200 -91.000 PHE 114 1.000 1.190 -1.233 49.037 -99.200 -91.000 HIS 118 0.900 2.655 -5.941 49.696 -99.200 -91.000 PHE 122 1.000 6.549 -2.475 47.644 -99.200 -91.000 TYR 140 0.840 0.159 23.496 44.985 -99.200 -91.000 TYR 146 0.840 -3.403 22.551 55.031 -99.200 -91.000 HIS 148 0.900 -1.581 16.913 56.738 -99.200 -91.000 PHE 169 1.000 -5.150 17.766 52.433 -99.200 -91.000 TRP 174 1.040 3.759 10.111 62.575 -99.200 -91.000 TRP6 174 1.020 2.526 8.727 64.039 -99.200 -91.000 TYR 182 0.840 6.826 27.729 71.333 -99.200 -91.000 PHE 185 1.000 1.052 21.969 65.687 -99.200 -91.000 TRP 192 1.040 9.985 16.016 64.298 -99.200 -91.000 TRP6 192 1.020 11.972 16.408 65.513 -99.200 -91.000 TYR 194 0.840 9.502 13.791 53.498 -99.200 -91.000 TRP 199 1.040 12.743 5.261 61.752 -99.200 -91.000 TRP6 199 1.020 11.031 3.942 62.715 -99.200 -91.000 TYR 204 0.840 9.770 -2.432 53.209 -99.200 -91.000 TYR 209 0.840 9.888 8.735 68.340 -99.200 -91.000 TRP 210 1.040 9.904 0.664 67.794 -99.200 -91.000 TRP6 210 1.020 11.738 1.972 68.515 -99.200 -91.000 TYR 225 0.840 19.001 9.186 74.077 -99.200 -91.000 TYR 238 0.840 19.744 7.426 61.031 -99.200 -91.000 TRP 245 1.040 13.366 13.185 62.519 -99.200 -91.000 TRP6 245 1.020 14.247 10.999 62.481 -99.200 -91.000 PHE 255 1.000 7.813 19.531 53.483 -99.200 -91.000