============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 6.844 28.952 28.145 -99.200 -91.000 PHE 29 1.000 5.945 28.596 21.849 -99.200 -91.000 PHE 32 1.000 7.295 34.318 28.740 -99.200 -91.000 HIS 35 0.900 17.338 33.511 23.609 -99.200 -91.000 TRP 36 1.040 15.970 26.410 18.355 -99.200 -91.000 TRP6 36 1.020 15.906 24.228 19.263 -99.200 -91.000 TRP 47 1.040 21.640 33.212 21.137 -99.200 -91.000 TRP6 47 1.020 21.823 34.431 19.102 -99.200 -91.000 TYR 50 0.840 14.852 36.657 20.857 -99.200 -91.000 TYR 58 0.840 18.116 39.837 17.325 -99.200 -91.000 TYR 59 0.840 18.335 32.841 11.592 -99.200 -91.000 PHE 67 1.000 22.189 25.517 11.926 -99.200 -91.000 PHE 79 1.000 8.220 23.489 14.357 -99.200 -91.000 TYR 93 0.840 22.223 21.926 17.429 -99.200 -91.000 TYR 94 0.840 21.271 21.419 25.899 -99.200 -91.000 TYR 100 0.840 19.235 31.904 27.791 -99.200 -91.000 TYR 101 0.840 11.106 29.500 35.095 -99.200 -91.000 TYR 107 0.840 9.268 10.406 33.828 -99.200 -91.000 TRP 108 1.040 13.867 12.644 26.265 -99.200 -91.000 TRP6 108 1.020 11.672 12.340 25.422 -99.200 -91.000 TYR 126 0.840 29.569 -8.522 23.781 -99.200 -91.000 TYR 149 0.840 27.140 3.136 21.443 -99.200 -91.000 PHE 150 1.000 28.642 7.260 14.143 -99.200 -91.000 TRP 158 1.040 22.339 -1.082 35.494 -99.200 -91.000 TRP6 158 1.020 23.385 -3.144 35.044 -99.200 -91.000 HIS 168 0.900 29.476 4.729 40.048 -99.200 -91.000 PHE 170 1.000 32.248 3.687 34.729 -99.200 -91.000 TYR 179 0.840 30.198 7.465 19.871 -99.200 -91.000 TRP 192 1.040 23.342 -11.188 40.250 -99.200 -91.000 TRP6 192 1.020 25.377 -12.357 40.013 -99.200 -91.000 HIS 203 0.900 22.476 2.938 18.300 -99.200 -91.000