============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 4 0.900 -8.388 -20.362 41.247 -99.200 -91.000 TYR 6 0.840 -4.535 -21.082 33.108 -99.200 -91.000 TYR 9 0.840 7.356 -19.327 32.556 -99.200 -91.000 PHE 24 1.000 7.913 -29.144 35.652 -99.200 -91.000 PHE 33 1.000 3.333 -12.954 43.837 -99.200 -91.000 HIS 34 0.900 0.735 -18.157 48.012 -99.200 -91.000 PHE 40 1.000 -0.513 -17.811 42.655 -99.200 -91.000 HIS 43 0.900 -0.091 -25.648 31.823 -99.200 -91.000 TYR 45 0.840 1.203 -22.400 27.541 -99.200 -91.000 TRP 57 1.040 0.497 -15.623 17.835 -99.200 -91.000 TRP6 57 1.020 0.179 -14.467 15.796 -99.200 -91.000 TYR 68 0.840 -14.359 -17.340 28.960 -99.200 -91.000 TYR 71 0.840 -8.443 -21.357 36.421 -99.200 -91.000 PHE 74 1.000 -9.145 -16.921 31.785 -99.200 -91.000 HIS 78 0.900 4.685 -13.629 24.613 -99.200 -91.000 TYR 84 0.840 4.959 -8.533 15.823 -99.200 -91.000 PHE 91 1.000 -7.713 -7.874 15.497 -99.200 -91.000 PHE 92 1.000 -8.620 -15.224 23.717 -99.200 -91.000 HIS 124 0.900 -5.116 -4.899 43.338 -99.200 -91.000 TYR 129 0.840 -9.046 -1.259 40.121 -99.200 -91.000 PHE 137 1.000 0.478 -3.799 34.847 -99.200 -91.000 PHE 138 1.000 7.421 -4.723 30.386 -99.200 -91.000 HIS 151 0.900 12.736 3.565 24.830 -99.200 -91.000 PHE 155 1.000 15.622 2.557 27.175 -99.200 -91.000 PHE 158 1.000 6.114 -4.422 25.491 -99.200 -91.000 PHE 189 1.000 -13.668 -17.032 25.151 -99.200 -91.000 TYR 204 0.840 13.902 2.015 -0.470 -99.200 -91.000 HIS 209 0.900 9.011 -0.645 -12.141 -99.200 -91.000 PHE 227 1.000 7.933 8.111 2.216 -99.200 -91.000 TYR 278 0.840 -9.501 4.232 8.533 -99.200 -91.000 HIS 289 0.900 -0.821 -13.585 10.365 -99.200 -91.000 TYR 290 0.840 -10.711 -12.268 13.226 -99.200 -91.000 TYR 298 0.840 -9.592 -8.220 -2.844 -99.200 -91.000