============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 1 0.900 75.720 53.673 38.285 -99.200 -91.000 PHE 34 1.000 62.220 42.191 22.729 -99.200 -91.000 PHE 36 1.000 67.248 44.940 26.249 -99.200 -91.000 PHE 43 1.000 70.474 42.312 29.826 -99.200 -91.000 TYR 44 0.840 66.075 39.359 36.095 -99.200 -91.000 PHE 69 1.000 67.295 50.035 28.856 -99.200 -91.000 PHE 106 1.000 72.523 48.004 14.731 -99.200 -91.000 PHE 116 1.000 57.353 45.355 30.089 -99.200 -91.000 PHE 128 1.000 52.171 18.963 32.573 -99.200 -91.000 PHE 144 1.000 46.765 21.249 11.123 -99.200 -91.000 PHE 151 1.000 32.985 37.553 18.236 -99.200 -91.000 PHE 159 1.000 40.022 21.916 26.807 -99.200 -91.000 TRP 160 1.040 47.695 23.262 26.653 -99.200 -91.000 TRP6 160 1.020 49.959 22.828 27.190 -99.200 -91.000 HIS 163 0.900 42.290 12.837 31.434 -99.200 -91.000 PHE 175 1.000 34.286 26.193 8.378 -99.200 -91.000 PHE 192 1.000 46.271 24.157 30.857 -99.200 -91.000 TYR 218 0.840 44.891 25.235 35.283 -99.200 -91.000 PHE 241 1.000 38.593 23.124 22.397 -99.200 -91.000 TYR 244 0.840 37.892 17.137 22.366 -99.200 -91.000 PHE 252 1.000 35.252 0.938 9.267 -99.200 -91.000 PHE 283 1.000 38.224 13.098 -1.276 -99.200 -91.000 TYR 299 0.840 38.539 30.340 -15.146 -99.200 -91.000 PHE 319 1.000 35.480 15.362 3.417 -99.200 -91.000 PHE 323 1.000 39.073 23.894 6.079 -99.200 -91.000 HIS 330 0.900 50.363 20.316 9.979 -99.200 -91.000 PHE 340 1.000 35.797 9.026 3.893 -99.200 -91.000 TYR 357 0.840 50.661 12.551 17.534 -99.200 -91.000 TYR 359 0.840 45.879 15.542 12.290 -99.200 -91.000