============================================================================= 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 -106.720 -52.427 21.248 -99.200 -91.000 TYR 25 0.840 -97.447 -40.426 6.211 -99.200 -91.000 PHE 26 1.000 -94.162 -44.263 -3.108 -99.200 -91.000 HIS 28 0.900 -100.123 -35.984 1.291 -99.200 -91.000 PHE 32 1.000 -94.916 -32.652 -0.260 -99.200 -91.000 TRP 35 1.040 -96.783 -29.521 -7.269 -99.200 -91.000 TRP6 35 1.020 -97.989 -29.846 -5.259 -99.200 -91.000 TYR 45 0.840 -88.852 -43.462 -1.179 -99.200 -91.000 HIS 46 0.900 -85.426 -41.712 2.601 -99.200 -91.000 HIS 54 0.900 -93.334 -47.482 12.169 -99.200 -91.000 TYR 58 0.840 -98.328 -52.359 14.184 -99.200 -91.000 PHE 64 1.000 -94.528 -65.607 18.391 -99.200 -91.000 TYR 107 0.840 -106.545 -55.769 25.810 -99.200 -91.000 HIS 112 0.900 -99.931 -59.956 33.134 -99.200 -91.000 TYR 114 0.840 -95.965 -57.491 30.746 -99.200 -91.000 HIS 130 0.900 -94.446 -38.408 9.949 -99.200 -91.000 TRP 133 1.040 -89.544 -32.958 9.284 -99.200 -91.000 TRP6 133 1.020 -91.106 -33.090 7.510 -99.200 -91.000 TYR 149 0.840 -92.014 -25.156 4.038 -99.200 -91.000