============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 14 1.000 42.890 0.887 -4.602 -99.200 -91.000 PHE 17 1.000 39.350 6.425 -8.247 -99.200 -91.000 PHE 24 1.000 37.971 5.626 -3.151 -99.200 -91.000 PHE 37 1.000 28.395 -5.203 6.465 -99.200 -91.000 HIS 47 0.900 29.678 6.326 19.478 -99.200 -91.000 HIS 52 0.900 22.851 9.285 20.374 -99.200 -91.000 TYR 58 0.840 11.973 5.593 11.503 -99.200 -91.000 PHE 67 1.000 21.092 4.195 -0.679 -99.200 -91.000 PHE 69 1.000 29.537 0.349 5.540 -99.200 -91.000 TRP 96 1.040 16.122 20.429 -4.832 -99.200 -91.000 TRP6 96 1.020 13.903 20.225 -5.595 -99.200 -91.000 TYR 99 0.840 26.260 17.032 -1.859 -99.200 -91.000 TYR 103 0.840 38.049 20.476 -9.897 -99.200 -91.000 PHE 171 1.000 32.052 11.904 11.973 -99.200 -91.000 PHE 172 1.000 32.292 6.080 17.081 -99.200 -91.000 TYR 177 0.840 42.715 5.704 7.344 -99.200 -91.000