============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 1.681 4.695 -33.561 -99.200 -91.000 HIS 13 0.900 7.797 3.867 -41.039 -99.200 -91.000 TRP 19 1.040 -1.842 0.627 -49.720 -99.200 -91.000 TRP6 19 1.020 -2.896 2.721 -49.726 -99.200 -91.000 PHE 27 1.000 -3.871 3.311 -43.877 -99.200 -91.000 PHE 31 1.000 -4.647 6.953 -38.318 -99.200 -91.000 PHE 37 1.000 -5.846 9.146 -43.373 -99.200 -91.000 PHE 40 1.000 -5.627 12.179 -53.661 -99.200 -91.000 HIS 44 0.900 -12.482 15.550 -40.710 -99.200 -91.000 PHE 54 1.000 -11.409 7.026 -47.716 -99.200 -91.000 HIS 55 0.900 -7.575 4.704 -45.349 -99.200 -91.000 PHE 59 1.000 -6.238 -0.409 -47.765 -99.200 -91.000 PHE 74 1.000 10.309 16.265 -39.066 -99.200 -91.000 PHE 77 1.000 9.670 11.520 -28.759 -99.200 -91.000 TYR 108 0.840 2.288 8.846 -39.883 -99.200 -91.000 TRP 117 1.040 3.991 7.200 -27.366 -99.200 -91.000 TRP6 117 1.020 4.197 9.523 -27.597 -99.200 -91.000 PHE 134 1.000 8.780 26.572 -60.969 -99.200 -91.000 PHE 135 1.000 2.807 19.572 -67.125 -99.200 -91.000 PHE 139 1.000 -3.720 21.699 -67.880 -99.200 -91.000