============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 14.871 36.614 28.832 -99.200 -91.000 PHE 18 1.000 8.171 35.314 23.917 -99.200 -91.000 TYR 36 0.840 27.602 43.694 19.375 -99.200 -91.000 HIS 40 0.900 18.152 28.317 24.295 -99.200 -91.000 PHE 49 1.000 8.302 30.107 41.166 -99.200 -91.000 HIS 62 0.900 24.049 34.298 31.387 -99.200 -91.000 TYR 75 0.840 18.012 45.083 32.307 -99.200 -91.000 TYR 95 0.840 12.426 32.029 41.831 -99.200 -91.000 TYR 98 0.840 17.868 40.306 36.063 -99.200 -91.000 TYR 99 0.840 23.735 34.240 35.933 -99.200 -91.000 TRP 108 1.040 30.864 37.343 18.694 -99.200 -91.000 TRP6 108 1.020 32.082 39.150 17.758 -99.200 -91.000 PHE 113 1.000 31.769 40.208 22.721 -99.200 -91.000