============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 6 0.840 23.265 57.740 78.324 -99.200 -91.000 HIS 8 0.900 29.853 62.767 70.308 -99.200 -91.000 TRP 46 1.040 2.779 64.785 77.014 -99.200 -91.000 TRP6 46 1.020 3.511 65.570 74.978 -99.200 -91.000 PHE 55 1.000 10.494 56.044 86.900 -99.200 -91.000 PHE 57 1.000 5.968 57.372 82.859 -99.200 -91.000 PHE 73 1.000 27.475 74.346 90.017 -99.200 -91.000 HIS 78 0.900 24.732 63.240 87.433 -99.200 -91.000 TYR 91 0.840 15.287 74.778 92.475 -99.200 -91.000 TRP 113 1.040 16.192 73.063 70.897 -99.200 -91.000 TRP6 113 1.020 15.966 72.192 68.775 -99.200 -91.000 TRP 119 1.040 23.664 61.618 80.659 -99.200 -91.000 TRP6 119 1.020 24.802 61.579 82.669 -99.200 -91.000 HIS 121 0.900 20.821 60.236 91.584 -99.200 -91.000 TYR 133 0.840 18.772 69.197 80.287 -99.200 -91.000 PHE 138 1.000 30.919 68.961 70.089 -99.200 -91.000 TYR 139 0.840 26.483 67.093 68.848 -99.200 -91.000 TRP 142 1.040 25.392 64.246 62.385 -99.200 -91.000 TRP6 142 1.020 23.345 64.108 63.438 -99.200 -91.000