============================================================================= 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 -0.113 -10.133 14.149 -99.200 -91.000 HIS 13 0.900 10.357 -5.076 15.044 -99.200 -91.000 PHE 22 1.000 11.041 -12.488 16.404 -99.200 -91.000 TYR 26 0.840 -4.777 -13.541 18.462 -99.200 -91.000 PHE 30 1.000 -8.589 -22.222 18.292 -99.200 -91.000 HIS 31 0.900 -15.197 -24.915 22.598 -99.200 -91.000 HIS 51 0.900 2.612 -23.905 20.401 -99.200 -91.000 PHE 56 1.000 -10.630 -20.564 28.879 -99.200 -91.000 TRP 60 1.040 -17.180 -20.243 28.468 -99.200 -91.000 TRP6 60 1.020 -15.849 -20.593 30.391 -99.200 -91.000 PHE 62 1.000 -10.360 -23.697 23.813 -99.200 -91.000 TYR 63 0.840 -6.322 -15.747 23.686 -99.200 -91.000 TYR 66 0.840 0.849 -22.262 16.480 -99.200 -91.000 TYR 67 0.840 6.520 -16.590 19.223 -99.200 -91.000 PHE 70 1.000 8.955 -12.564 8.154 -99.200 -91.000 TYR 78 0.840 8.339 -15.786 4.567 -99.200 -91.000 HIS 84 0.900 -11.427 -25.937 14.976 -99.200 -91.000 TRP 95 1.040 3.320 -10.670 6.151 -99.200 -91.000 TRP6 95 1.020 5.473 -10.215 5.270 -99.200 -91.000