============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 1 1.000 109.945 58.412 80.852 -99.200 -91.000 HIS 8 0.900 120.837 45.271 68.764 -99.200 -91.000 PHE 25 1.000 99.975 38.775 71.498 -99.200 -91.000 TYR 30 0.840 88.607 44.501 69.051 -99.200 -91.000 PHE 58 1.000 92.075 43.103 59.636 -99.200 -91.000 TYR 69 0.840 105.754 33.073 58.413 -99.200 -91.000 TYR 82 0.840 97.503 34.507 71.506 -99.200 -91.000 HIS 102 0.900 107.306 33.983 48.890 -99.200 -91.000 TYR 128 0.840 118.554 46.329 57.423 -99.200 -91.000 TYR 135 0.840 129.021 56.623 58.575 -99.200 -91.000 PHE 145 1.000 113.780 53.260 48.304 -99.200 -91.000 PHE 150 1.000 111.748 48.470 44.077 -99.200 -91.000 TYR 152 0.840 103.971 47.911 51.670 -99.200 -91.000 PHE 153 1.000 104.700 50.400 43.094 -99.200 -91.000 HIS 154 0.900 107.262 43.470 42.128 -99.200 -91.000 HIS 162 0.900 93.371 36.211 42.483 -99.200 -91.000 TYR 178 0.840 102.104 61.390 56.683 -99.200 -91.000 TYR 187 0.840 111.257 52.557 58.174 -99.200 -91.000 PHE 197 1.000 101.272 50.953 46.089 -99.200 -91.000 TRP 221 1.040 108.043 46.667 73.664 -99.200 -91.000 TRP6 221 1.020 110.295 47.352 73.368 -99.200 -91.000 PHE 229 1.000 115.378 52.352 66.146 -99.200 -91.000 PHE 237 1.000 109.982 52.470 69.955 -99.200 -91.000 TYR 250 0.840 96.291 47.339 73.654 -99.200 -91.000 TYR 256 0.840 96.764 48.383 60.321 -99.200 -91.000 TYR 258 0.840 87.197 54.113 60.115 -99.200 -91.000 TYR 266 0.840 81.587 59.773 50.995 -99.200 -91.000 HIS 273 0.900 98.838 60.727 59.922 -99.200 -91.000