============================================================================= 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 8 1.000 25.177 12.549 -10.612 -99.200 -91.000 TYR 16 0.840 19.700 -0.230 6.375 -99.200 -91.000 TYR 38 0.840 16.487 5.321 18.425 -99.200 -91.000 TYR 47 0.840 22.696 4.038 1.942 -99.200 -91.000 PHE 52 1.000 28.792 7.797 -7.104 -99.200 -91.000 PHE 59 1.000 26.756 12.476 1.161 -99.200 -91.000 TYR 87 0.840 34.469 17.105 9.700 -99.200 -91.000 TRP 94 1.040 18.110 13.783 19.514 -99.200 -91.000 TRP6 94 1.020 20.224 13.138 18.611 -99.200 -91.000 TYR 97 0.840 15.373 14.922 10.017 -99.200 -91.000 HIS 111 0.900 33.101 3.087 -8.040 -99.200 -91.000 PHE 117 1.000 26.068 7.230 9.682 -99.200 -91.000 PHE 126 1.000 22.701 8.758 0.843 -99.200 -91.000 PHE 128 1.000 26.934 10.574 -3.650 -99.200 -91.000