============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 27 0.840 30.362 23.067 45.638 -99.200 -91.000 TYR 35 0.840 34.175 49.485 37.628 -99.200 -91.000 PHE 49 1.000 25.187 38.461 42.450 -99.200 -91.000 PHE 53 1.000 23.026 34.528 44.962 -99.200 -91.000 PHE 61 1.000 33.213 48.485 41.498 -99.200 -91.000 PHE 78 1.000 34.015 50.781 50.958 -99.200 -91.000 HIS 88 0.900 45.515 48.598 39.260 -99.200 -91.000 PHE 90 1.000 48.368 51.618 38.093 -99.200 -91.000 PHE 111 1.000 40.616 42.056 50.049 -99.200 -91.000 HIS 118 0.900 47.585 42.105 32.804 -99.200 -91.000 PHE 124 1.000 55.124 50.310 31.099 -99.200 -91.000 TYR 144 0.840 49.017 43.924 51.377 -99.200 -91.000 PHE 166 1.000 41.729 37.036 53.104 -99.200 -91.000 PHE 185 1.000 54.278 30.481 47.629 -99.200 -91.000 TYR 196 0.840 32.651 34.061 34.244 -99.200 -91.000