============================================================================= 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. HIS 2 0.900 86.850 5.136 83.600 -99.200 -91.000 PHE 3 1.000 82.467 1.348 86.336 -99.200 -91.000 HIS 10 0.900 54.122 3.737 91.290 -99.200 -91.000 HIS 14 0.900 50.780 18.466 87.977 -99.200 -91.000 PHE 16 1.000 51.193 21.642 84.578 -99.200 -91.000 PHE 21 1.000 51.758 25.240 81.312 -99.200 -91.000 HIS 28 0.900 46.306 18.170 84.636 -99.200 -91.000 PHE 32 1.000 54.547 13.463 87.043 -99.200 -91.000 PHE 38 1.000 71.261 7.375 92.977 -99.200 -91.000 TYR 68 0.840 48.952 6.956 96.773 -99.200 -91.000 PHE 77 1.000 56.604 21.170 95.227 -99.200 -91.000 PHE 86 1.000 59.667 23.118 90.361 -99.200 -91.000 HIS 100 0.900 75.796 16.783 98.347 -99.200 -91.000 HIS 119 0.900 60.281 7.308 81.888 -99.200 -91.000 HIS 122 0.900 51.206 6.225 75.558 -99.200 -91.000 TRP 125 1.040 61.349 9.906 78.049 -99.200 -91.000 TRP6 125 1.020 60.130 8.886 76.287 -99.200 -91.000 TYR 128 0.840 68.255 19.461 87.404 -99.200 -91.000