============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 15 0.900 31.718 31.312 66.433 -99.200 -91.000 PHE 18 1.000 30.700 27.916 77.515 -99.200 -91.000 PHE 19 1.000 39.374 29.671 75.462 -99.200 -91.000 PHE 23 1.000 40.189 35.808 73.340 -99.200 -91.000 HIS 29 0.900 45.019 50.065 78.177 -99.200 -91.000 PHE 40 1.000 48.982 50.981 60.243 -99.200 -91.000 PHE 45 1.000 53.426 39.833 56.615 -99.200 -91.000 PHE 91 1.000 42.814 30.280 61.450 -99.200 -91.000 TYR 97 0.840 53.548 33.920 57.246 -99.200 -91.000 TRP 99 1.040 58.115 34.533 60.223 -99.200 -91.000 TRP6 99 1.020 56.370 36.137 60.342 -99.200 -91.000 PHE 128 1.000 58.988 41.415 59.965 -99.200 -91.000 PHE 133 1.000 57.247 42.833 70.592 -99.200 -91.000 TYR 151 0.840 72.522 43.693 80.247 -99.200 -91.000 HIS 160 0.900 73.892 42.838 66.234 -99.200 -91.000 HIS 161 0.900 69.405 41.579 64.987 -99.200 -91.000 PHE 168 1.000 50.247 51.151 75.546 -99.200 -91.000 PHE 175 1.000 45.425 42.177 78.049 -99.200 -91.000 PHE 176 1.000 35.328 38.195 79.726 -99.200 -91.000 TRP 182 1.040 49.876 44.954 86.204 -99.200 -91.000 TRP6 182 1.020 49.282 47.209 85.813 -99.200 -91.000 PHE 200 1.000 73.559 38.671 69.584 -99.200 -91.000 PHE 207 1.000 74.305 37.839 79.712 -99.200 -91.000 TYR 223 0.840 84.095 31.916 73.563 -99.200 -91.000 PHE 251 1.000 78.694 40.409 76.436 -99.200 -91.000