============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 6 0.900 25.412 44.844 20.752 -99.200 -91.000 HIS 28 0.900 22.604 45.590 30.388 -99.200 -91.000 PHE 59 1.000 15.246 30.324 39.235 -99.200 -91.000 HIS 88 0.900 28.322 51.055 11.475 -99.200 -91.000 PHE 108 1.000 39.362 50.012 23.569 -99.200 -91.000 PHE 114 1.000 35.863 47.996 11.155 -99.200 -91.000 HIS 118 0.900 25.291 54.785 19.589 -99.200 -91.000 PHE 121 1.000 35.524 52.512 21.071 -99.200 -91.000 PHE 143 1.000 39.249 54.284 25.855 -99.200 -91.000 HIS 147 0.900 39.808 47.803 38.276 -99.200 -91.000 PHE 148 1.000 32.680 45.522 35.234 -99.200 -91.000 PHE 149 1.000 37.238 45.971 42.186 -99.200 -91.000 PHE 171 1.000 31.140 59.795 36.317 -99.200 -91.000 PHE 177 1.000 26.986 48.379 31.223 -99.200 -91.000 HIS 184 0.900 26.765 51.693 45.611 -99.200 -91.000 PHE 194 1.000 41.843 52.502 37.685 -99.200 -91.000 TYR 203 0.840 46.562 44.712 54.038 -99.200 -91.000 TYR 211 0.840 56.920 35.095 55.642 -99.200 -91.000 TYR 231 0.840 41.409 44.022 56.625 -99.200 -91.000 PHE 236 1.000 51.945 36.751 54.157 -99.200 -91.000 TYR 241 0.840 39.984 34.762 45.772 -99.200 -91.000 PHE 249 1.000 51.825 43.500 34.298 -99.200 -91.000 TRP 254 1.040 51.259 51.022 40.868 -99.200 -91.000 TRP6 254 1.020 50.116 50.032 42.682 -99.200 -91.000 HIS 255 0.900 61.121 49.598 42.045 -99.200 -91.000 HIS 264 0.900 54.702 51.888 44.602 -99.200 -91.000 PHE 279 1.000 52.776 32.211 38.052 -99.200 -91.000 PHE 287 1.000 53.536 35.025 49.733 -99.200 -91.000 TYR 288 0.840 49.379 30.452 53.816 -99.200 -91.000 TYR 290 0.840 46.241 27.792 48.386 -99.200 -91.000