============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 12 0.840 -5.386 -33.117 11.758 -99.200 -91.000 TYR 32 0.840 1.903 -38.077 2.528 -99.200 -91.000 TYR 34 0.840 -1.084 -32.717 5.116 -99.200 -91.000 HIS 52 0.900 16.031 -19.797 28.810 -99.200 -91.000 TYR 55 0.840 8.793 -9.982 26.960 -99.200 -91.000 TRP 77 1.040 11.716 -7.719 7.227 -99.200 -91.000 TRP6 77 1.020 12.788 -6.070 5.911 -99.200 -91.000 TYR 78 0.840 5.172 -11.042 8.511 -99.200 -91.000 PHE 88 1.000 11.749 -10.847 3.139 -99.200 -91.000 PHE 97 1.000 13.985 -13.892 16.030 -99.200 -91.000 HIS 101 0.900 3.998 -18.423 24.254 -99.200 -91.000 TRP 106 1.040 -5.094 -6.811 22.676 -99.200 -91.000 TRP6 106 1.020 -7.364 -7.347 23.059 -99.200 -91.000 TYR 125 0.840 -0.213 -29.981 -10.829 -99.200 -91.000 TRP 132 1.040 1.675 -38.005 -6.832 -99.200 -91.000 TRP6 132 1.020 -0.561 -37.805 -7.579 -99.200 -91.000 PHE 145 1.000 2.612 -19.138 5.665 -99.200 -91.000 TYR 149 0.840 10.307 -29.279 3.281 -99.200 -91.000 TYR 167 0.840 9.809 -37.163 -0.778 -99.200 -91.000 PHE 169 1.000 14.432 -26.089 3.625 -99.200 -91.000 TYR 179 0.840 19.639 -30.133 15.476 -99.200 -91.000 PHE 185 1.000 10.360 -42.789 6.348 -99.200 -91.000 TYR 186 0.840 5.889 -39.642 10.919 -99.200 -91.000 PHE 192 1.000 2.685 -35.133 -1.814 -99.200 -91.000 HIS 195 0.900 15.424 -27.026 -8.146 -99.200 -91.000 HIS 196 0.900 10.821 -22.906 -12.148 -99.200 -91.000 PHE 207 1.000 14.095 -18.871 15.049 -99.200 -91.000 HIS 210 0.900 11.250 -22.997 18.612 -99.200 -91.000 PHE 215 1.000 15.929 -27.861 17.133 -99.200 -91.000 PHE 220 1.000 8.850 -23.620 0.843 -99.200 -91.000 PHE 221 1.000 6.648 -15.298 3.952 -99.200 -91.000 PHE 234 1.000 11.645 -25.988 -1.920 -99.200 -91.000 TYR 236 0.840 13.458 -29.610 -4.560 -99.200 -91.000 PHE 240 1.000 17.000 -32.653 -4.891 -99.200 -91.000 TRP 241 1.040 18.893 -29.518 -8.176 -99.200 -91.000 TRP6 241 1.020 17.889 -31.031 -9.697 -99.200 -91.000 PHE 248 1.000 16.485 -36.702 -10.343 -99.200 -91.000 HIS 259 0.900 21.234 -27.244 -10.137 -99.200 -91.000