============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 0.480 22.832 21.015 -99.200 -91.000 TRP 3 1.040 13.195 3.203 8.951 -99.200 -91.000 TRP6 3 1.020 12.678 4.849 10.570 -99.200 -91.000 TYR 29 0.840 3.403 25.310 28.166 -99.200 -91.000 TYR 45 0.840 -1.629 26.895 36.228 -99.200 -91.000 TRP 52 1.040 3.507 18.109 33.020 -99.200 -91.000 TRP6 52 1.020 5.873 18.196 33.179 -99.200 -91.000 PHE 56 1.000 1.349 14.326 25.060 -99.200 -91.000 HIS 57 0.900 -0.401 6.348 21.156 -99.200 -91.000 PHE 58 1.000 4.420 13.177 19.047 -99.200 -91.000 HIS 61 0.900 6.312 8.015 8.396 -99.200 -91.000 PHE 86 1.000 12.070 42.263 27.179 -99.200 -91.000 PHE 93 1.000 14.554 26.543 26.703 -99.200 -91.000 TRP 111 1.040 14.789 10.217 36.145 -99.200 -91.000 TRP6 111 1.020 13.502 12.078 36.844 -99.200 -91.000 TYR 112 0.840 15.982 11.397 27.270 -99.200 -91.000 HIS 130 0.900 8.297 3.619 29.522 -99.200 -91.000