============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 4 0.840 37.941 -15.934 6.233 -99.200 -91.000 TYR 8 0.840 39.623 -13.095 15.757 -99.200 -91.000 PHE 10 1.000 31.388 -17.326 13.218 -99.200 -91.000 HIS 11 0.900 33.387 -24.248 14.737 -99.200 -91.000 PHE 14 1.000 23.603 -25.516 12.865 -99.200 -91.000 TYR 27 0.840 22.733 -28.917 11.529 -99.200 -91.000 PHE 35 1.000 15.042 -30.573 7.239 -99.200 -91.000 TRP 47 1.040 30.495 -24.157 18.733 -99.200 -91.000 TRP6 47 1.020 31.411 -25.751 20.221 -99.200 -91.000 TYR 64 0.840 14.900 -16.839 -2.532 -99.200 -91.000 HIS 69 0.900 14.800 -19.423 -8.118 -99.200 -91.000 HIS 79 0.900 -1.574 -14.044 5.284 -99.200 -91.000 HIS 80 0.900 2.916 -15.789 6.877 -99.200 -91.000 HIS 94 0.900 14.564 -6.797 7.888 -99.200 -91.000 TYR 103 0.840 18.759 -1.772 23.860 -99.200 -91.000 TYR 106 0.840 15.276 -6.894 13.118 -99.200 -91.000 PHE 113 1.000 17.736 -1.517 -3.343 -99.200 -91.000 HIS 115 0.900 14.702 -7.054 3.884 -99.200 -91.000 TYR 121 0.840 31.562 -13.051 20.165 -99.200 -91.000 TYR 130 0.840 27.339 -24.214 23.032 -99.200 -91.000 HIS 134 0.900 17.620 -18.924 21.872 -99.200 -91.000 TYR 135 0.840 20.196 -15.673 14.216 -99.200 -91.000 TYR 137 0.840 15.277 -19.012 9.832 -99.200 -91.000 PHE 171 1.000 21.827 -21.956 9.681 -99.200 -91.000 PHE 190 1.000 23.513 -37.164 1.801 -99.200 -91.000