============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 13 1.000 36.973 31.894 -1.457 -99.200 -91.000 TYR 16 0.840 30.927 34.020 -3.529 -99.200 -91.000 PHE 18 1.000 36.266 36.586 -13.242 -99.200 -91.000 TYR 19 0.840 31.783 34.187 -13.042 -99.200 -91.000 HIS 21 0.900 36.911 42.657 -7.834 -99.200 -91.000 TYR 62 0.840 24.605 36.545 6.333 -99.200 -91.000 PHE 66 1.000 30.134 38.409 6.494 -99.200 -91.000 HIS 72 0.900 34.512 48.078 15.290 -99.200 -91.000 TYR 81 0.840 42.831 28.590 11.637 -99.200 -91.000 TYR 83 0.840 41.196 38.572 15.100 -99.200 -91.000 PHE 84 1.000 37.407 31.726 7.303 -99.200 -91.000 PHE 92 1.000 28.056 27.610 8.044 -99.200 -91.000 TRP 98 1.040 22.071 24.302 -0.950 -99.200 -91.000 TRP6 98 1.020 24.244 23.707 -1.659 -99.200 -91.000 PHE 107 1.000 34.695 36.363 7.542 -99.200 -91.000 TYR 109 0.840 34.252 39.872 -2.854 -99.200 -91.000 HIS 114 0.900 40.047 44.764 6.399 -99.200 -91.000 TYR 116 0.840 45.038 44.245 -3.518 -99.200 -91.000 HIS 118 0.900 42.796 47.999 5.479 -99.200 -91.000 PHE 123 1.000 45.955 36.255 4.197 -99.200 -91.000 PHE 130 1.000 43.151 31.603 6.958 -99.200 -91.000 PHE 134 1.000 33.734 27.159 9.604 -99.200 -91.000 HIS 137 0.900 39.559 20.314 10.480 -99.200 -91.000 HIS 138 0.900 33.947 24.630 12.462 -99.200 -91.000 TRP 143 1.040 24.029 20.618 5.049 -99.200 -91.000 TRP6 143 1.020 23.762 22.021 3.164 -99.200 -91.000 TRP 150 1.040 31.487 22.816 -3.565 -99.200 -91.000 TRP6 150 1.020 30.509 24.713 -2.525 -99.200 -91.000