============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 15 1.000 27.162 3.487 75.865 -99.200 -91.000 HIS 19 0.900 35.383 -0.558 77.359 -99.200 -91.000 TYR 58 0.840 20.295 -0.934 75.840 -99.200 -91.000 TRP 66 1.040 22.439 16.650 71.684 -99.200 -91.000 TRP6 66 1.020 21.616 15.197 73.313 -99.200 -91.000 TRP 74 1.040 34.123 22.907 73.019 -99.200 -91.000 TRP6 74 1.020 35.110 24.558 74.408 -99.200 -91.000 TYR 97 0.840 46.089 19.611 78.937 -99.200 -91.000 TYR 126 0.840 43.167 13.105 82.868 -99.200 -91.000 TRP 129 1.040 45.566 17.883 92.274 -99.200 -91.000 TRP6 129 1.020 46.991 16.003 92.064 -99.200 -91.000 HIS 154 0.900 51.167 17.462 96.571 -99.200 -91.000 PHE 158 1.000 51.473 21.448 96.491 -99.200 -91.000 TYR 174 0.840 60.092 27.186 79.663 -99.200 -91.000 HIS 178 0.900 61.138 16.602 83.313 -99.200 -91.000 PHE 190 1.000 56.658 27.789 75.881 -99.200 -91.000 HIS 196 0.900 40.888 41.539 76.058 -99.200 -91.000 PHE 212 1.000 58.253 16.009 77.080 -99.200 -91.000 HIS 219 0.900 63.614 20.940 67.961 -99.200 -91.000 TYR 220 0.840 60.664 17.780 73.080 -99.200 -91.000