============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 7 1.000 8.299 -41.468 -5.808 -99.200 -91.000 TRP 21 1.040 4.119 -43.818 -3.144 -99.200 -91.000 TRP6 21 1.020 2.552 -43.781 -1.375 -99.200 -91.000 PHE 23 1.000 3.311 -45.775 -14.545 -99.200 -91.000 PHE 33 1.000 14.619 -48.953 -7.633 -99.200 -91.000 PHE 61 1.000 15.067 -39.040 1.128 -99.200 -91.000 TYR 81 0.840 19.687 -40.876 9.335 -99.200 -91.000 PHE 92 1.000 14.232 -30.764 -1.137 -99.200 -91.000 TYR 122 0.840 -3.471 -18.515 -32.989 -99.200 -91.000 TRP 130 1.040 -13.766 -16.633 -30.204 -99.200 -91.000 TRP6 130 1.020 -12.511 -16.409 -28.212 -99.200 -91.000 PHE 164 1.000 -4.600 -12.808 -29.639 -99.200 -91.000 TYR 170 0.840 -5.023 -5.351 -24.398 -99.200 -91.000 PHE 183 1.000 -14.578 -11.296 -9.287 -99.200 -91.000 HIS 193 0.900 -7.523 -3.014 -22.696 -99.200 -91.000 HIS 198 0.900 -15.490 -12.930 -29.757 -99.200 -91.000 TRP 199 1.040 -11.900 -10.223 -22.574 -99.200 -91.000 TRP6 199 1.020 -9.861 -9.018 -22.469 -99.200 -91.000 PHE 221 1.000 -16.883 -10.106 -21.964 -99.200 -91.000 PHE 248 1.000 -10.684 -24.440 -15.889 -99.200 -91.000 TYR 249 0.840 -11.270 -26.335 -24.784 -99.200 -91.000 HIS 259 0.900 6.340 -35.017 -13.285 -99.200 -91.000 TYR 261 0.840 10.465 -46.468 -15.232 -99.200 -91.000 TYR 268 0.840 19.428 -49.250 -10.151 -99.200 -91.000 TRP 270 1.040 23.840 -39.600 -7.088 -99.200 -91.000 TRP6 270 1.020 22.650 -37.799 -6.144 -99.200 -91.000 PHE 280 1.000 14.060 -28.871 -14.746 -99.200 -91.000 PHE 294 1.000 -14.995 -34.348 -16.373 -99.200 -91.000