============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 81.006 -25.758 50.357 -99.200 -91.000 HIS 2 0.900 79.289 -27.804 45.958 -99.200 -91.000 PHE 6 1.000 72.278 -32.303 56.336 -99.200 -91.000 TRP 21 1.040 72.502 -42.170 43.006 -99.200 -91.000 TRP6 21 1.020 70.373 -42.125 44.020 -99.200 -91.000 PHE 33 1.000 68.065 -42.694 69.136 -99.200 -91.000 TYR 57 0.840 69.858 -26.727 80.971 -99.200 -91.000 TYR 73 0.840 81.393 -37.855 60.472 -99.200 -91.000 PHE 104 1.000 56.008 -25.884 63.082 -99.200 -91.000 TYR 119 0.840 73.698 -28.388 60.867 -99.200 -91.000 PHE 123 1.000 59.554 -29.895 61.451 -99.200 -91.000 TYR 145 0.840 69.057 -17.860 60.755 -99.200 -91.000 TYR 148 0.840 70.187 -9.033 61.967 -99.200 -91.000 PHE 150 1.000 71.470 -14.214 63.781 -99.200 -91.000 HIS 161 0.900 55.932 -29.827 47.083 -99.200 -91.000 HIS 164 0.900 57.613 -28.240 50.287 -99.200 -91.000 PHE 180 1.000 66.169 -43.314 47.846 -99.200 -91.000 PHE 187 1.000 69.310 -38.921 41.038 -99.200 -91.000 HIS 189 0.900 61.603 -32.780 32.351 -99.200 -91.000 PHE 199 1.000 70.760 -36.956 22.842 -99.200 -91.000 TRP 203 1.040 76.761 -44.248 19.006 -99.200 -91.000 TRP6 203 1.020 77.419 -42.858 20.788 -99.200 -91.000 TYR 206 0.840 78.834 -43.308 14.434 -99.200 -91.000