============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 5 1.000 -0.264 18.513 62.699 -99.200 -91.000 HIS 6 0.900 -4.402 12.780 60.372 -99.200 -91.000 TYR 13 0.840 4.622 14.058 59.675 -99.200 -91.000 HIS 43 0.900 15.659 10.226 81.160 -99.200 -91.000 HIS 46 0.900 15.058 11.746 77.306 -99.200 -91.000 PHE 66 1.000 19.795 9.987 63.190 -99.200 -91.000 PHE 72 1.000 25.872 6.346 69.918 -99.200 -91.000 TYR 78 0.840 21.334 5.716 73.249 -99.200 -91.000 PHE 98 1.000 13.068 13.943 61.138 -99.200 -91.000 TYR 106 0.840 24.629 11.732 59.480 -99.200 -91.000 HIS 131 0.900 29.236 13.238 72.454 -99.200 -91.000 PHE 132 1.000 30.543 17.782 73.721 -99.200 -91.000 PHE 152 1.000 11.863 24.220 74.305 -99.200 -91.000 PHE 153 1.000 19.708 20.894 72.205 -99.200 -91.000 TYR 158 0.840 26.142 24.653 81.784 -99.200 -91.000 PHE 171 1.000 28.355 27.169 61.790 -99.200 -91.000 TYR 197 0.840 22.994 0.053 81.147 -99.200 -91.000 HIS 218 0.900 23.078 25.191 99.396 -99.200 -91.000 TYR 245 0.840 34.635 16.449 83.592 -99.200 -91.000