============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 -8.574 12.778 56.717 -99.200 -91.000 PHE 29 1.000 -20.953 16.506 61.584 -99.200 -91.000 HIS 35 0.900 -1.744 9.412 62.416 -99.200 -91.000 HIS 46 0.900 -2.356 12.003 58.461 -99.200 -91.000 TRP 48 1.040 -12.243 16.484 59.033 -99.200 -91.000 TRP6 48 1.020 -13.883 18.160 59.358 -99.200 -91.000 TYR 72 0.840 3.188 21.702 58.064 -99.200 -91.000 HIS 83 0.900 -8.383 24.941 63.293 -99.200 -91.000 PHE 97 1.000 -18.735 21.917 61.300 -99.200 -91.000 TYR 108 0.840 -20.130 23.659 52.547 -99.200 -91.000 PHE 110 1.000 -13.583 14.605 54.571 -99.200 -91.000 PHE 111 1.000 -8.883 21.157 52.926 -99.200 -91.000 PHE 114 1.000 3.170 16.570 57.363 -99.200 -91.000 HIS 117 0.900 0.248 13.945 55.049 -99.200 -91.000