============================================================================= 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. TYR 1 0.840 63.128 21.995 57.831 -99.200 -91.000 HIS 7 0.900 62.512 23.909 68.322 -99.200 -91.000 TYR 17 0.840 52.272 0.031 68.318 -99.200 -91.000 TRP 49 1.040 51.459 17.822 68.927 -99.200 -91.000 TRP6 49 1.020 49.424 18.827 68.227 -99.200 -91.000 HIS 52 0.900 55.993 18.787 73.210 -99.200 -91.000 PHE 56 1.000 47.265 24.244 73.955 -99.200 -91.000 TRP 72 1.040 37.413 16.261 70.362 -99.200 -91.000 TRP6 72 1.020 36.813 14.028 69.839 -99.200 -91.000 TYR 82 0.840 52.480 12.071 57.460 -99.200 -91.000 PHE 87 1.000 49.546 1.380 54.727 -99.200 -91.000 TYR 93 0.840 40.622 4.190 61.825 -99.200 -91.000 TYR 97 0.840 41.145 -1.606 64.097 -99.200 -91.000 TYR 123 0.840 46.559 16.646 53.261 -99.200 -91.000 PHE 133 1.000 50.802 14.669 60.435 -99.200 -91.000 HIS 148 0.900 31.896 27.976 73.886 -99.200 -91.000 HIS 163 0.900 49.260 32.373 57.091 -99.200 -91.000 TYR 169 0.840 58.747 22.803 54.967 -99.200 -91.000 HIS 174 0.900 57.877 21.875 48.601 -99.200 -91.000 HIS 201 0.900 28.548 7.570 63.077 -99.200 -91.000 PHE 202 1.000 32.428 11.179 70.652 -99.200 -91.000 TYR 203 0.840 29.065 14.638 71.383 -99.200 -91.000 HIS 214 0.900 34.355 21.554 80.431 -99.200 -91.000 PHE 217 1.000 39.345 17.208 75.017 -99.200 -91.000