============================================================================= 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. PHE 3 1.000 14.077 -10.655 21.244 -99.200 -91.000 PHE 11 1.000 15.014 -12.255 30.396 -99.200 -91.000 HIS 18 0.900 20.231 -14.192 30.219 -99.200 -91.000 TYR 26 0.840 16.053 -16.471 28.002 -99.200 -91.000 PHE 28 1.000 10.401 -19.885 29.191 -99.200 -91.000 HIS 33 0.900 11.561 -33.778 31.331 -99.200 -91.000 TYR 41 0.840 15.334 -12.062 9.369 -99.200 -91.000 HIS 42 0.900 16.824 -8.831 8.534 -99.200 -91.000 TRP 45 1.040 9.359 -10.516 10.482 -99.200 -91.000 TRP6 45 1.020 7.049 -11.039 10.277 -99.200 -91.000 PHE 49 1.000 14.679 -24.792 16.626 -99.200 -91.000 PHE 63 1.000 -5.032 -20.574 7.113 -99.200 -91.000 HIS 66 0.900 -1.952 -24.252 18.517 -99.200 -91.000 TRP 67 1.040 -5.989 -18.303 15.301 -99.200 -91.000 TRP6 67 1.020 -6.144 -17.986 12.979 -99.200 -91.000 HIS 70 0.900 1.655 -23.101 18.478 -99.200 -91.000 TRP 82 1.040 8.920 -23.221 12.018 -99.200 -91.000 TRP6 82 1.020 7.625 -21.555 10.964 -99.200 -91.000 TRP 98 1.040 3.482 -17.073 20.084 -99.200 -91.000 TRP6 98 1.020 5.322 -15.775 19.344 -99.200 -91.000 PHE 102 1.000 6.722 -22.914 20.047 -99.200 -91.000 PHE 117 1.000 -1.374 -43.665 10.144 -99.200 -91.000 PHE 127 1.000 -9.378 -22.119 10.124 -99.200 -91.000