============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 59.732 73.149 30.582 -99.200 -91.000 PHE 8 1.000 62.063 69.085 25.631 -99.200 -91.000 PHE 17 1.000 46.320 59.347 24.308 -99.200 -91.000 TYR 23 0.840 48.101 70.323 31.859 -99.200 -91.000 HIS 29 0.900 51.452 75.934 35.223 -99.200 -91.000 TYR 33 0.840 59.515 74.294 23.839 -99.200 -91.000 TYR 44 0.840 63.684 73.288 22.503 -99.200 -91.000 TYR 50 0.840 72.963 74.256 32.873 -99.200 -91.000 PHE 63 1.000 55.400 62.147 27.070 -99.200 -91.000 PHE 76 1.000 64.267 58.940 27.093 -99.200 -91.000 PHE 83 1.000 69.079 64.770 31.723 -99.200 -91.000 PHE 84 1.000 77.088 69.468 33.220 -99.200 -91.000 PHE 87 1.000 74.785 71.485 37.287 -99.200 -91.000 PHE 167 1.000 64.247 47.423 24.279 -99.200 -91.000 HIS 190 0.900 53.946 27.614 24.092 -99.200 -91.000 PHE 191 1.000 52.231 32.959 26.464 -99.200 -91.000 PHE 193 1.000 51.539 39.965 23.193 -99.200 -91.000 TRP 208 1.040 41.728 33.542 17.771 -99.200 -91.000 TRP6 208 1.020 40.990 33.297 20.008 -99.200 -91.000 TYR 220 0.840 49.390 45.704 21.904 -99.200 -91.000 TYR 240 0.840 36.628 34.749 23.818 -99.200 -91.000 PHE 246 1.000 44.578 39.635 29.127 -99.200 -91.000 HIS 259 0.900 50.947 58.596 28.828 -99.200 -91.000 PHE 267 1.000 56.384 66.640 37.269 -99.200 -91.000 PHE 274 1.000 59.596 56.375 35.425 -99.200 -91.000 TYR 280 0.840 57.176 44.145 31.362 -99.200 -91.000