============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 2 0.840 -5.293 26.679 53.925 -99.200 -91.000 HIS 6 0.900 -13.430 26.374 60.518 -99.200 -91.000 HIS 9 0.900 -21.684 24.029 46.735 -99.200 -91.000 PHE 11 1.000 -10.996 27.728 47.733 -99.200 -91.000 PHE 31 1.000 -16.225 14.426 60.712 -99.200 -91.000 TYR 58 0.840 -25.977 15.950 58.725 -99.200 -91.000 PHE 66 1.000 -18.099 14.340 55.314 -99.200 -91.000 PHE 76 1.000 -3.992 22.795 49.779 -99.200 -91.000 HIS 78 0.900 2.105 18.475 43.691 -99.200 -91.000 PHE 108 1.000 1.506 -1.232 49.036 -99.200 -91.000 HIS 112 0.900 2.987 -5.859 49.750 -99.200 -91.000 PHE 116 1.000 6.899 -2.497 47.786 -99.200 -91.000 TYR 134 0.840 0.511 23.416 44.903 -99.200 -91.000 TYR 140 0.840 -3.062 22.566 55.031 -99.200 -91.000 HIS 142 0.900 -1.123 16.891 56.753 -99.200 -91.000 PHE 163 1.000 -4.760 17.820 52.455 -99.200 -91.000 TRP 168 1.040 4.053 10.231 62.635 -99.200 -91.000 TRP6 168 1.020 2.902 8.773 64.098 -99.200 -91.000 TYR 176 0.840 7.267 27.790 71.279 -99.200 -91.000 PHE 179 1.000 1.498 22.171 65.639 -99.200 -91.000 TRP 186 1.040 10.320 16.037 64.263 -99.200 -91.000 TRP6 186 1.020 12.317 16.407 65.475 -99.200 -91.000 TYR 188 0.840 9.772 13.738 53.535 -99.200 -91.000 TRP 193 1.040 13.011 5.199 61.772 -99.200 -91.000 TRP6 193 1.020 11.271 3.951 62.801 -99.200 -91.000 TYR 198 0.840 10.058 -2.419 53.324 -99.200 -91.000 TYR 203 0.840 10.212 8.779 68.353 -99.200 -91.000 TRP 204 1.040 10.121 0.694 67.862 -99.200 -91.000 TRP6 204 1.020 12.009 1.964 68.515 -99.200 -91.000 TYR 219 0.840 19.447 9.236 73.991 -99.200 -91.000 TYR 232 0.840 19.974 7.284 61.024 -99.200 -91.000 TRP 239 1.040 13.655 13.160 62.517 -99.200 -91.000 TRP6 239 1.020 14.517 10.958 62.477 -99.200 -91.000 PHE 249 1.000 8.180 19.487 53.449 -99.200 -91.000