============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 19 0.900 8.362 119.185 23.676 -99.200 -91.000 HIS 23 0.900 6.745 123.281 27.283 -99.200 -91.000 HIS 26 0.900 9.346 128.359 27.078 -99.200 -91.000 TRP 27 1.040 6.477 126.035 30.921 -99.200 -91.000 TRP6 27 1.020 5.563 123.851 31.003 -99.200 -91.000 TYR 28 0.840 9.503 124.613 37.162 -99.200 -91.000 PHE 34 1.000 12.206 134.351 31.574 -99.200 -91.000 TRP 37 1.040 20.234 132.049 27.221 -99.200 -91.000 TRP6 37 1.020 20.961 130.691 25.455 -99.200 -91.000 HIS 38 0.900 9.992 131.848 28.362 -99.200 -91.000 TYR 44 0.840 18.312 125.527 21.828 -99.200 -91.000 TYR 51 0.840 16.564 117.244 14.637 -99.200 -91.000 PHE 67 1.000 9.939 102.611 22.269 -99.200 -91.000 PHE 73 1.000 6.855 108.944 23.877 -99.200 -91.000 TYR 86 0.840 9.456 128.470 39.456 -99.200 -91.000 PHE 101 1.000 20.250 120.808 22.615 -99.200 -91.000 TYR 103 0.840 21.064 109.966 25.534 -99.200 -91.000 PHE 108 1.000 19.837 112.724 17.214 -99.200 -91.000 PHE 112 1.000 26.908 108.615 9.699 -99.200 -91.000 PHE 127 1.000 19.407 107.989 13.657 -99.200 -91.000 HIS 137 0.900 20.992 124.415 17.978 -99.200 -91.000 TRP 139 1.040 30.482 127.536 18.637 -99.200 -91.000 TRP6 139 1.020 29.379 128.469 16.754 -99.200 -91.000