============================================================================= 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 10 0.840 -44.736 -37.401 -45.393 -99.200 -91.000 HIS 19 0.900 -55.265 -23.307 -39.530 -99.200 -91.000 TRP 26 1.040 -38.687 -28.124 -45.439 -99.200 -91.000 TRP6 26 1.020 -39.206 -27.773 -43.153 -99.200 -91.000 HIS 37 0.900 -29.876 -18.570 -33.303 -99.200 -91.000 PHE 40 1.000 -34.854 -27.751 -37.523 -99.200 -91.000 PHE 50 1.000 -41.812 -32.060 -51.501 -99.200 -91.000 TRP 62 1.040 -42.693 -29.102 -37.807 -99.200 -91.000 TRP6 62 1.020 -41.161 -27.342 -38.261 -99.200 -91.000 TYR 64 0.840 -39.630 -22.797 -40.466 -99.200 -91.000 PHE 72 1.000 -45.236 -23.889 -35.748 -99.200 -91.000 TYR 74 0.840 -47.959 -28.863 -35.461 -99.200 -91.000 TYR 79 0.840 -48.950 -37.810 -38.152 -99.200 -91.000 TYR 109 0.840 -22.556 -28.056 -8.977 -99.200 -91.000 PHE 112 1.000 -25.387 -27.166 -18.227 -99.200 -91.000 PHE 113 1.000 -25.427 -20.448 -20.261 -99.200 -91.000 PHE 118 1.000 -23.682 -17.220 -19.579 -99.200 -91.000 PHE 131 1.000 -32.775 -14.729 2.168 -99.200 -91.000 TYR 147 0.840 -36.946 -30.949 -3.532 -99.200 -91.000