============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 7 1.000 38.166 20.016 57.092 -99.200 -91.000 PHE 9 1.000 34.192 14.802 55.351 -99.200 -91.000 PHE 25 1.000 33.446 20.292 55.405 -99.200 -91.000 PHE 27 1.000 29.093 23.620 45.062 -99.200 -91.000 HIS 36 0.900 42.483 28.885 44.224 -99.200 -91.000 PHE 46 1.000 35.337 -0.961 40.038 -99.200 -91.000 TYR 51 0.840 27.388 11.431 46.117 -99.200 -91.000 HIS 57 0.900 39.888 15.117 34.664 -99.200 -91.000 HIS 81 0.900 37.897 24.785 36.637 -99.200 -91.000 PHE 95 1.000 41.533 -5.740 39.534 -99.200 -91.000 HIS 111 0.900 54.384 16.974 52.203 -99.200 -91.000 PHE 116 1.000 51.752 23.121 44.463 -99.200 -91.000 TYR 117 0.840 44.257 22.287 44.976 -99.200 -91.000 TYR 119 0.840 39.418 25.350 53.948 -99.200 -91.000 PHE 124 1.000 41.196 8.569 54.688 -99.200 -91.000 HIS 130 0.900 45.626 -1.249 49.454 -99.200 -91.000 TRP 134 1.040 51.480 3.820 53.161 -99.200 -91.000 TRP6 134 1.020 53.755 4.394 53.419 -99.200 -91.000 HIS 138 0.900 50.775 13.432 54.472 -99.200 -91.000 PHE 166 1.000 45.195 2.759 63.131 -99.200 -91.000 TRP 234 1.040 30.804 21.045 59.373 -99.200 -91.000 TRP6 234 1.020 30.713 18.895 58.398 -99.200 -91.000 HIS 237 0.900 28.832 29.207 61.811 -99.200 -91.000