============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 11 1.000 10.766 18.103 26.059 -99.200 -91.000 TYR 16 0.840 16.661 16.748 27.025 -99.200 -91.000 TRP 40 1.040 22.656 16.635 16.313 -99.200 -91.000 TRP6 40 1.020 23.895 14.629 16.355 -99.200 -91.000 HIS 41 0.900 29.180 20.563 22.950 -99.200 -91.000 HIS 43 0.900 34.046 19.990 23.244 -99.200 -91.000 HIS 51 0.900 23.320 13.582 8.512 -99.200 -91.000 HIS 53 0.900 17.899 13.003 7.679 -99.200 -91.000 HIS 55 0.900 12.175 8.336 0.573 -99.200 -91.000 TRP 60 1.040 20.883 20.635 11.385 -99.200 -91.000 TRP6 60 1.020 23.208 20.648 10.985 -99.200 -91.000 TYR 69 0.840 24.088 23.196 6.481 -99.200 -91.000 HIS 70 0.900 30.091 18.628 2.628 -99.200 -91.000 HIS 78 0.900 30.260 31.703 9.514 -99.200 -91.000 HIS 93 0.900 21.511 17.061 6.519 -99.200 -91.000 PHE 102 1.000 27.174 24.226 14.851 -99.200 -91.000 PHE 104 1.000 23.242 21.005 14.966 -99.200 -91.000 PHE 115 1.000 21.874 8.179 9.540 -99.200 -91.000