============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 3 1.000 -17.003 60.209 6.576 -99.200 -91.000 TYR 4 0.840 -22.091 58.990 -0.073 -99.200 -91.000 TYR 5 0.840 -20.231 56.796 8.701 -99.200 -91.000 HIS 38 0.900 -19.437 48.168 -1.837 -99.200 -91.000 PHE 43 1.000 -20.215 55.307 -3.190 -99.200 -91.000 HIS 50 0.900 -15.877 48.874 -6.305 -99.200 -91.000 PHE 60 1.000 -12.647 67.564 -4.771 -99.200 -91.000 TRP 63 1.040 -11.725 57.473 -4.812 -99.200 -91.000 TRP6 63 1.020 -12.815 58.683 -6.512 -99.200 -91.000 TYR 71 0.840 -11.314 69.754 -0.228 -99.200 -91.000 TYR 76 0.840 -14.975 72.447 5.202 -99.200 -91.000 TYR 83 0.840 -0.828 68.862 4.582 -99.200 -91.000 TYR 98 0.840 2.518 59.350 -0.038 -99.200 -91.000 PHE 99 1.000 5.593 53.742 8.987 -99.200 -91.000 TYR 105 0.840 -5.556 49.414 7.700 -99.200 -91.000 PHE 108 1.000 -5.680 45.453 11.138 -99.200 -91.000 TYR 111 0.840 -1.151 38.175 11.594 -99.200 -91.000 TYR 112 0.840 -4.383 41.525 12.804 -99.200 -91.000 TYR 113 0.840 -8.253 44.209 5.710 -99.200 -91.000 PHE 117 1.000 -12.415 41.707 5.992 -99.200 -91.000 PHE 127 1.000 2.693 39.076 14.933 -99.200 -91.000 PHE 134 1.000 2.448 48.501 15.752 -99.200 -91.000 PHE 136 1.000 11.323 49.856 9.224 -99.200 -91.000 PHE 140 1.000 9.417 56.198 10.787 -99.200 -91.000 TYR 146 0.840 1.660 65.689 19.700 -99.200 -91.000 PHE 166 1.000 -1.448 46.927 13.274 -99.200 -91.000 PHE 171 1.000 1.493 44.325 17.148 -99.200 -91.000 TYR 176 0.840 6.793 46.935 18.572 -99.200 -91.000 TRP 182 1.040 1.917 59.151 18.487 -99.200 -91.000 TRP6 182 1.020 0.620 57.429 17.542 -99.200 -91.000 TYR 183 0.840 -3.159 53.559 20.689 -99.200 -91.000 TRP 193 1.040 -10.001 57.564 22.173 -99.200 -91.000 TRP6 193 1.020 -8.695 56.052 20.920 -99.200 -91.000 TRP 197 1.040 -12.240 51.908 22.371 -99.200 -91.000 TRP6 197 1.020 -10.472 50.603 21.524 -99.200 -91.000 PHE 203 1.000 -11.483 45.688 11.694 -99.200 -91.000 TYR 206 0.840 -16.615 42.286 9.621 -99.200 -91.000 PHE 207 1.000 -9.882 40.791 14.468 -99.200 -91.000