============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 8.161 64.397 11.838 -99.200 -91.000 TRP6 7 1.020 6.938 66.425 11.778 -99.200 -91.000 TRP 26 1.040 0.236 42.897 9.190 -99.200 -91.000 TRP6 26 1.020 -2.006 43.598 8.908 -99.200 -91.000 PHE 28 1.000 1.518 46.487 17.052 -99.200 -91.000 TRP 38 1.040 -6.713 62.002 14.641 -99.200 -91.000 TRP6 38 1.020 -8.477 62.472 13.129 -99.200 -91.000 PHE 39 1.000 0.409 66.231 17.499 -99.200 -91.000 HIS 43 0.900 -7.915 65.992 13.600 -99.200 -91.000 PHE 72 1.000 -1.296 53.155 5.328 -99.200 -91.000 TRP 74 1.040 -10.381 46.017 5.719 -99.200 -91.000 TRP6 74 1.020 -10.748 46.968 7.853 -99.200 -91.000 TYR 83 0.840 -13.554 50.549 14.816 -99.200 -91.000 TYR 88 0.840 -11.345 45.650 17.713 -99.200 -91.000 TYR 90 0.840 -1.589 43.346 19.723 -99.200 -91.000 HIS 105 0.900 -14.763 47.684 18.551 -99.200 -91.000 HIS 114 0.900 -2.454 53.733 -0.179 -99.200 -91.000 TRP 127 1.040 5.642 63.080 1.359 -99.200 -91.000 TRP6 127 1.020 4.611 62.171 3.283 -99.200 -91.000 TRP 143 1.040 16.620 45.720 12.050 -99.200 -91.000 TRP6 143 1.020 14.875 47.311 12.118 -99.200 -91.000 TYR 146 0.840 19.854 48.748 17.425 -99.200 -91.000 HIS 161 0.900 9.548 44.571 11.861 -99.200 -91.000 TYR 168 0.840 15.940 64.105 7.807 -99.200 -91.000 TYR 175 0.840 21.109 59.453 13.850 -99.200 -91.000 TRP 176 1.040 16.755 56.629 6.866 -99.200 -91.000 TRP6 176 1.020 15.359 58.408 6.160 -99.200 -91.000 TRP 182 1.040 9.812 43.513 17.319 -99.200 -91.000 TRP6 182 1.020 11.874 43.077 16.242 -99.200 -91.000 TRP 186 1.040 14.966 45.073 19.498 -99.200 -91.000 TRP6 186 1.020 14.930 46.888 17.981 -99.200 -91.000 TYR 191 0.840 11.416 55.514 18.942 -99.200 -91.000