============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 10 0.840 -106.387 -52.275 21.087 -99.200 -91.000 TYR 25 0.840 -95.846 -39.663 6.137 -99.200 -91.000 PHE 26 1.000 -93.541 -43.992 -3.081 -99.200 -91.000 HIS 28 0.900 -99.377 -35.819 1.319 -99.200 -91.000 PHE 32 1.000 -94.586 -32.203 -0.548 -99.200 -91.000 TRP 35 1.040 -96.386 -29.469 -7.417 -99.200 -91.000 TRP6 35 1.020 -97.568 -29.671 -5.383 -99.200 -91.000 TYR 45 0.840 -88.112 -43.049 -0.981 -99.200 -91.000 HIS 46 0.900 -84.878 -40.905 2.836 -99.200 -91.000 HIS 54 0.900 -92.968 -47.291 12.197 -99.200 -91.000 TYR 58 0.840 -97.895 -52.196 14.070 -99.200 -91.000 PHE 64 1.000 -94.059 -65.442 18.287 -99.200 -91.000 TYR 107 0.840 -106.275 -55.611 25.644 -99.200 -91.000 HIS 112 0.900 -99.831 -59.801 33.042 -99.200 -91.000 TYR 114 0.840 -95.765 -57.313 30.688 -99.200 -91.000 HIS 130 0.900 -92.575 -40.817 11.000 -99.200 -91.000 PHE 133 1.000 -90.428 -33.130 8.126 -99.200 -91.000 TYR 149 0.840 -91.727 -24.910 3.991 -99.200 -91.000