============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 11 1.000 41.634 -7.173 1.124 -99.200 -91.000 HIS 12 0.900 37.148 -14.187 -0.323 -99.200 -91.000 HIS 27 0.900 51.144 -12.330 -17.862 -99.200 -91.000 PHE 28 1.000 60.174 -14.360 -22.701 -99.200 -91.000 TYR 30 0.840 65.479 -16.429 -18.685 -99.200 -91.000 PHE 51 1.000 67.853 -15.819 18.811 -99.200 -91.000 PHE 59 1.000 67.806 -19.471 2.184 -99.200 -91.000 PHE 62 1.000 70.952 -13.020 2.652 -99.200 -91.000 PHE 63 1.000 65.909 -15.949 -2.606 -99.200 -91.000 PHE 74 1.000 69.846 -5.729 -17.370 -99.200 -91.000 TYR 90 0.840 62.172 3.651 -18.551 -99.200 -91.000 HIS 94 0.900 65.144 -0.464 -7.614 -99.200 -91.000 PHE 120 1.000 69.084 -5.936 11.192 -99.200 -91.000 PHE 148 1.000 60.955 -7.303 -10.033 -99.200 -91.000 TYR 160 0.840 61.928 -24.631 -13.630 -99.200 -91.000 PHE 184 1.000 78.688 -34.203 -13.385 -99.200 -91.000 TRP 200 1.040 63.313 -14.082 -13.410 -99.200 -91.000 TRP6 200 1.020 63.127 -12.693 -11.498 -99.200 -91.000 HIS 204 0.900 58.442 -10.387 -25.730 -99.200 -91.000 PHE 215 1.000 65.970 -8.773 -12.820 -99.200 -91.000 TRP 219 1.040 67.438 -12.156 -8.295 -99.200 -91.000 TRP6 219 1.020 66.766 -14.453 -8.250 -99.200 -91.000 TYR 222 0.840 74.478 -8.272 -8.125 -99.200 -91.000 PHE 228 1.000 80.784 -12.096 -8.612 -99.200 -91.000