============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 -15.828 17.375 10.687 -99.200 -91.000 TRP 9 1.040 -10.755 23.918 19.263 -99.200 -91.000 TRP6 9 1.020 -9.937 25.527 17.723 -99.200 -91.000 HIS 24 0.900 -8.110 29.035 11.250 -99.200 -91.000 PHE 25 1.000 -4.140 27.934 8.394 -99.200 -91.000 TRP 36 1.040 -18.379 21.723 6.210 -99.200 -91.000 TRP6 36 1.020 -17.326 23.248 7.680 -99.200 -91.000 TYR 50 0.840 -13.959 6.510 14.926 -99.200 -91.000 PHE 53 1.000 -7.017 15.556 8.670 -99.200 -91.000 TRP 61 1.040 -2.741 1.236 7.951 -99.200 -91.000 TRP6 61 1.020 -2.700 2.758 9.764 -99.200 -91.000 PHE 78 1.000 -9.668 5.485 0.983 -99.200 -91.000 TYR 81 0.840 -6.460 6.539 11.409 -99.200 -91.000 TYR 84 0.840 -14.073 12.083 14.155 -99.200 -91.000 PHE 88 1.000 -7.963 15.846 13.805 -99.200 -91.000 TYR 91 0.840 -2.992 16.049 8.986 -99.200 -91.000 TYR 101 0.840 2.764 15.588 3.465 -99.200 -91.000 HIS 111 0.900 -3.390 29.501 -2.566 -99.200 -91.000 PHE 113 1.000 -2.457 23.530 6.336 -99.200 -91.000 TYR 122 0.840 -4.353 15.533 2.004 -99.200 -91.000 TYR 128 0.840 -6.422 19.842 -1.047 -99.200 -91.000