============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 26 1.000 21.052 60.658 34.986 -99.200 -91.000 TYR 31 0.840 18.251 57.935 32.709 -99.200 -91.000 TYR 32 0.840 18.070 49.017 30.934 -99.200 -91.000 TYR 34 0.840 23.228 50.924 28.222 -99.200 -91.000 TRP 35 1.040 30.004 51.013 33.640 -99.200 -91.000 TRP6 35 1.020 31.500 52.590 34.560 -99.200 -91.000 TRP 46 1.040 27.428 49.262 24.842 -99.200 -91.000 TRP6 46 1.020 27.815 51.186 23.530 -99.200 -91.000 TRP 49 1.040 22.312 45.357 30.176 -99.200 -91.000 TRP6 49 1.020 20.702 44.786 31.830 -99.200 -91.000 TYR 59 0.840 28.961 41.765 34.289 -99.200 -91.000 PHE 63 1.000 34.927 43.815 28.091 -99.200 -91.000 TYR 79 0.840 30.756 52.873 43.484 -99.200 -91.000 TYR 92 0.840 38.260 50.320 31.023 -99.200 -91.000 TYR 93 0.840 34.790 57.748 27.267 -99.200 -91.000 TYR 106 0.840 21.261 62.717 30.574 -99.200 -91.000 TRP 107 1.040 27.576 58.948 26.050 -99.200 -91.000 TRP6 107 1.020 28.929 57.072 25.566 -99.200 -91.000 TYR 126 0.840 63.775 70.495 31.867 -99.200 -91.000 TYR 146 0.840 53.954 63.583 32.365 -99.200 -91.000 PHE 147 1.000 53.968 55.502 34.040 -99.200 -91.000 TRP 155 1.040 50.568 78.033 28.402 -99.200 -91.000 TRP6 155 1.020 52.928 78.330 28.416 -99.200 -91.000 HIS 165 0.900 47.989 75.429 18.709 -99.200 -91.000 PHE 167 1.000 52.149 70.927 20.377 -99.200 -91.000 TYR 176 0.840 52.900 58.696 29.453 -99.200 -91.000 TRP 189 1.040 57.593 87.135 27.756 -99.200 -91.000 TRP6 189 1.020 59.512 86.593 26.477 -99.200 -91.000 HIS 200 0.900 52.558 63.549 37.459 -99.200 -91.000