============================================================================= 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. PHE 1 1.000 62.355 41.018 50.617 -99.200 -91.000 TRP 9 1.040 65.771 37.603 33.626 -99.200 -91.000 TRP6 9 1.020 67.688 36.461 34.386 -99.200 -91.000 PHE 22 1.000 64.224 39.941 44.660 -99.200 -91.000 PHE 33 1.000 77.764 54.080 34.634 -99.200 -91.000 HIS 34 0.900 73.012 47.932 34.001 -99.200 -91.000 PHE 46 1.000 67.037 42.936 48.879 -99.200 -91.000 PHE 50 1.000 73.083 33.766 37.564 -99.200 -91.000 PHE 63 1.000 82.050 46.698 41.982 -99.200 -91.000 TYR 80 0.840 71.768 34.660 54.238 -99.200 -91.000 PHE 94 1.000 65.089 25.290 49.879 -99.200 -91.000 PHE 95 1.000 69.061 26.811 42.194 -99.200 -91.000 HIS 155 0.900 49.017 28.222 50.038 -99.200 -91.000 TRP 167 1.040 56.512 43.158 36.835 -99.200 -91.000 TRP6 167 1.020 57.987 44.565 35.643 -99.200 -91.000