============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 15.454 69.327 -10.525 -99.200 -91.000 HIS 5 0.900 14.483 56.292 -2.213 -99.200 -91.000 HIS 31 0.900 20.933 50.457 -17.193 -99.200 -91.000 PHE 35 1.000 24.272 53.611 -12.321 -99.200 -91.000 TYR 39 0.840 23.062 58.015 -2.257 -99.200 -91.000 HIS 53 0.900 33.501 58.639 -6.182 -99.200 -91.000 PHE 54 1.000 26.377 55.828 -8.387 -99.200 -91.000 TRP 66 1.040 34.002 49.828 -22.424 -99.200 -91.000 TRP6 66 1.020 35.548 48.675 -21.065 -99.200 -91.000 PHE 81 1.000 31.908 53.457 -7.096 -99.200 -91.000 PHE 107 1.000 29.748 48.510 -0.814 -99.200 -91.000 TRP 124 1.040 41.300 39.623 0.566 -99.200 -91.000 TRP6 124 1.020 41.651 38.024 2.267 -99.200 -91.000 HIS 136 0.900 42.216 35.346 -11.654 -99.200 -91.000 TYR 140 0.840 40.654 38.727 -16.147 -99.200 -91.000 PHE 161 1.000 45.692 40.690 -13.295 -99.200 -91.000 HIS 210 0.900 44.169 64.011 -19.218 -99.200 -91.000 TYR 224 0.840 58.900 42.726 -16.008 -99.200 -91.000 HIS 234 0.900 63.232 48.976 -5.342 -99.200 -91.000