============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 3 0.840 -37.938 -10.753 25.565 -99.200 -91.000 HIS 4 0.900 -39.983 -10.631 21.401 -99.200 -91.000 HIS 8 0.900 -36.194 -2.993 14.901 -99.200 -91.000 TYR 10 0.840 -27.513 -3.633 22.058 -99.200 -91.000 TYR 24 0.840 -13.310 -4.296 2.670 -99.200 -91.000 TRP 42 1.040 -14.713 -22.903 -0.175 -99.200 -91.000 TRP6 42 1.020 -13.602 -22.301 1.814 -99.200 -91.000 TYR 50 0.840 -17.814 -29.216 7.475 -99.200 -91.000 HIS 58 0.900 -27.019 -13.862 6.438 -99.200 -91.000 TYR 63 0.840 -17.702 -12.805 13.225 -99.200 -91.000 PHE 67 1.000 -8.070 -9.926 9.641 -99.200 -91.000 PHE 92 1.000 -21.907 -14.795 18.917 -99.200 -91.000 TYR 96 0.840 -24.264 -30.834 19.016 -99.200 -91.000 PHE 103 1.000 -14.395 -24.550 10.431 -99.200 -91.000 TYR 105 0.840 -12.211 -32.774 3.928 -99.200 -91.000 TYR 111 0.840 -4.662 -21.056 3.996 -99.200 -91.000 HIS 121 0.900 -3.714 -14.448 19.804 -99.200 -91.000 PHE 129 1.000 -10.889 -11.747 22.376 -99.200 -91.000 PHE 139 1.000 -31.764 -5.216 12.015 -99.200 -91.000 TYR 143 0.840 -37.195 -5.920 8.991 -99.200 -91.000 PHE 144 1.000 -38.626 -13.857 7.247 -99.200 -91.000 HIS 146 0.900 -44.169 -6.405 12.501 -99.200 -91.000 PHE 160 1.000 -32.304 -16.602 -4.294 -99.200 -91.000 TYR 172 0.840 -26.748 -5.749 -2.755 -99.200 -91.000 TYR 175 0.840 -28.011 -0.009 -0.450 -99.200 -91.000 PHE 185 1.000 -41.544 -9.012 5.152 -99.200 -91.000 HIS 186 0.900 -42.041 -3.898 -1.499 -99.200 -91.000 TYR 190 0.840 -44.726 -5.854 -6.478 -99.200 -91.000 TRP 197 1.040 -41.635 -1.251 4.511 -99.200 -91.000 TRP6 197 1.020 -40.255 -2.871 5.567 -99.200 -91.000 TYR 207 0.840 -35.157 1.432 7.891 -99.200 -91.000 HIS 220 0.900 -36.688 -5.556 -10.158 -99.200 -91.000 TYR 223 0.840 -35.762 -12.610 -7.540 -99.200 -91.000 HIS 229 0.900 -22.841 -12.924 -9.088 -99.200 -91.000 TYR 238 0.840 -31.811 -19.853 0.116 -99.200 -91.000 TYR 243 0.840 -33.088 -22.961 2.548 -99.200 -91.000 HIS 244 0.900 -40.962 -23.598 2.403 -99.200 -91.000