============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 4 0.900 -9.804 -8.869 56.802 -99.200 -91.000 PHE 5 1.000 -7.034 -9.089 49.180 -99.200 -91.000 TRP 8 1.040 -10.259 1.024 54.905 -99.200 -91.000 TRP6 8 1.020 -10.643 1.971 57.049 -99.200 -91.000 TYR 9 0.840 -16.097 4.848 47.272 -99.200 -91.000 PHE 10 1.000 -17.207 8.804 51.139 -99.200 -91.000 PHE 12 1.000 -23.034 7.769 47.669 -99.200 -91.000 PHE 30 1.000 -14.678 -7.474 48.672 -99.200 -91.000 TYR 33 0.840 -15.912 0.722 57.553 -99.200 -91.000 PHE 35 1.000 -16.071 5.574 54.727 -99.200 -91.000 TRP 40 1.040 -14.739 11.602 54.294 -99.200 -91.000 TRP6 40 1.020 -13.029 9.985 54.010 -99.200 -91.000 TYR 67 0.840 -1.426 -2.725 47.740 -99.200 -91.000 PHE 81 1.000 -8.027 -11.152 41.661 -99.200 -91.000 TYR 91 0.840 -1.425 -3.244 29.191 -99.200 -91.000 TYR 92 0.840 -5.065 0.006 21.804 -99.200 -91.000 TYR 105 0.840 -17.062 7.477 37.599 -99.200 -91.000 TYR 109 0.840 -18.586 12.561 40.850 -99.200 -91.000 PHE 112 1.000 -24.570 11.777 42.756 -99.200 -91.000 PHE 126 1.000 -23.604 12.168 28.369 -99.200 -91.000 HIS 149 0.900 -16.675 -11.517 27.393 -99.200 -91.000 PHE 161 1.000 -13.887 2.407 34.456 -99.200 -91.000 PHE 163 1.000 -22.790 -4.471 34.633 -99.200 -91.000 HIS 168 0.900 -21.855 4.996 37.803 -99.200 -91.000 PHE 176 1.000 -27.713 9.707 24.563 -99.200 -91.000 PHE 181 1.000 -24.687 5.895 21.288 -99.200 -91.000 HIS 185 0.900 -30.760 -1.751 27.034 -99.200 -91.000 PHE 187 1.000 -20.171 -5.311 27.813 -99.200 -91.000 HIS 188 0.900 -26.288 -2.433 32.370 -99.200 -91.000 TYR 201 0.840 -21.707 -7.496 44.479 -99.200 -91.000 PHE 210 1.000 -22.223 8.395 39.781 -99.200 -91.000