============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 1 0.900 57.053 -9.989 43.965 -99.200 -91.000 PHE 2 1.000 62.724 -19.179 44.543 -99.200 -91.000 TYR 9 0.840 62.204 -23.404 32.625 -99.200 -91.000 TYR 16 0.840 43.349 -21.366 27.811 -99.200 -91.000 HIS 21 0.900 41.619 -14.177 24.067 -99.200 -91.000 PHE 22 1.000 45.808 -21.523 23.368 -99.200 -91.000 HIS 41 0.900 53.300 -15.492 13.963 -99.200 -91.000 TYR 55 0.840 66.378 -13.982 28.870 -99.200 -91.000 TYR 64 0.840 65.055 -13.693 23.178 -99.200 -91.000 TYR 74 0.840 59.412 -4.274 24.074 -99.200 -91.000 PHE 85 1.000 58.431 -10.771 31.184 -99.200 -91.000 HIS 93 0.900 46.244 -26.868 41.390 -99.200 -91.000 TYR 94 0.840 45.205 -21.610 36.998 -99.200 -91.000 TYR 97 0.840 55.400 -16.916 33.035 -99.200 -91.000 HIS 102 0.900 59.287 -1.687 35.027 -99.200 -91.000 TRP 107 1.040 53.940 -2.330 36.726 -99.200 -91.000 TRP6 107 1.020 55.107 -0.833 35.312 -99.200 -91.000 PHE 108 1.000 51.317 -10.163 39.021 -99.200 -91.000 HIS 124 0.900 44.292 -6.401 40.638 -99.200 -91.000 TYR 125 0.840 50.509 -11.755 43.569 -99.200 -91.000 PHE 132 1.000 49.406 -15.792 30.860 -99.200 -91.000