============================================================================= 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 12 1.000 81.137 24.035 38.591 -99.200 -91.000 PHE 33 1.000 97.705 39.619 44.690 -99.200 -91.000 TRP 44 1.040 87.355 38.906 38.432 -99.200 -91.000 TRP6 44 1.020 89.157 38.585 39.905 -99.200 -91.000 TRP 53 1.040 87.867 29.162 42.735 -99.200 -91.000 TRP6 53 1.020 87.005 28.180 44.684 -99.200 -91.000 HIS 55 0.900 94.717 27.732 42.225 -99.200 -91.000 PHE 63 1.000 102.214 38.349 45.643 -99.200 -91.000 PHE 72 1.000 90.364 36.539 47.442 -99.200 -91.000 PHE 74 1.000 95.722 29.875 54.193 -99.200 -91.000 HIS 75 0.900 89.023 25.070 48.217 -99.200 -91.000 HIS 76 0.900 94.490 21.239 49.742 -99.200 -91.000 TRP 87 1.040 79.773 31.958 47.505 -99.200 -91.000 TRP6 87 1.020 80.051 30.158 46.012 -99.200 -91.000