============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -35.151 1.190 44.490 -99.200 -91.000 TYR 27 0.840 -29.359 7.879 40.392 -99.200 -91.000 HIS 32 0.900 -37.718 -0.075 27.039 -99.200 -91.000 TYR 33 0.840 -42.731 -3.852 29.890 -99.200 -91.000 HIS 34 0.900 -40.338 -5.377 22.107 -99.200 -91.000 PHE 80 1.000 -38.276 15.398 32.738 -99.200 -91.000 PHE 83 1.000 -39.978 7.852 39.341 -99.200 -91.000 PHE 96 1.000 -25.187 -11.264 20.399 -99.200 -91.000 TYR 97 0.840 -31.641 -10.497 15.037 -99.200 -91.000 PHE 122 1.000 -30.084 11.133 16.895 -99.200 -91.000 PHE 128 1.000 -30.853 12.862 30.259 -99.200 -91.000 PHE 152 1.000 -23.777 -12.568 16.085 -99.200 -91.000 TYR 155 0.840 -24.151 -6.791 18.883 -99.200 -91.000 HIS 160 0.900 -17.016 -0.245 15.095 -99.200 -91.000 TYR 176 0.840 -27.205 22.360 25.996 -99.200 -91.000 TRP 202 1.040 -18.047 -16.986 23.264 -99.200 -91.000 TRP6 202 1.020 -16.760 -15.235 22.334 -99.200 -91.000 PHE 224 1.000 -15.739 5.894 38.241 -99.200 -91.000 TYR 232 0.840 -12.078 17.500 33.754 -99.200 -91.000 HIS 248 0.900 -2.181 -14.339 20.331 -99.200 -91.000