============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 9 1.000 23.206 56.649 123.209 -99.200 -91.000 PHE 19 1.000 27.713 57.183 125.357 -99.200 -91.000 TYR 21 0.840 33.532 49.173 130.558 -99.200 -91.000 HIS 27 0.900 27.325 61.439 132.441 -99.200 -91.000 HIS 29 0.900 24.141 61.368 137.920 -99.200 -91.000 PHE 31 1.000 22.656 54.614 132.224 -99.200 -91.000 TRP 38 1.040 20.711 45.676 120.828 -99.200 -91.000 TRP6 38 1.020 19.101 45.813 119.099 -99.200 -91.000 HIS 39 0.900 25.002 41.626 115.567 -99.200 -91.000 TRP 40 1.040 17.962 45.482 114.079 -99.200 -91.000 TRP6 40 1.020 16.264 44.411 115.312 -99.200 -91.000 HIS 45 0.900 26.061 51.998 111.549 -99.200 -91.000 TYR 52 0.840 17.349 57.775 129.012 -99.200 -91.000 HIS 53 0.900 15.142 55.845 136.864 -99.200 -91.000 PHE 61 1.000 22.178 59.848 128.430 -99.200 -91.000 HIS 73 0.900 21.295 61.295 119.828 -99.200 -91.000 PHE 77 1.000 8.172 57.305 124.163 -99.200 -91.000 HIS 81 0.900 4.573 42.309 128.881 -99.200 -91.000