============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 4 0.840 29.598 -8.882 10.761 -99.200 -91.000 PHE 20 1.000 19.422 1.481 14.174 -99.200 -91.000 HIS 21 0.900 22.058 -1.357 10.922 -99.200 -91.000 HIS 45 0.900 14.314 -25.874 14.199 -99.200 -91.000 TYR 52 0.840 28.038 -12.126 -5.758 -99.200 -91.000 PHE 64 1.000 14.643 -13.727 3.781 -99.200 -91.000 TYR 66 0.840 11.106 -12.806 7.264 -99.200 -91.000 TYR 96 0.840 18.269 -16.231 14.456 -99.200 -91.000 TRP 97 1.040 22.993 -18.559 16.775 -99.200 -91.000 TRP6 97 1.020 21.282 -17.906 18.260 -99.200 -91.000 HIS 103 0.900 24.783 -3.567 8.116 -99.200 -91.000 TYR 104 0.840 28.717 -5.280 1.378 -99.200 -91.000 TRP 119 1.040 22.908 -25.705 -6.294 -99.200 -91.000 TRP6 119 1.020 20.940 -24.361 -6.215 -99.200 -91.000