============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 20 1.000 8.893 21.170 8.230 -99.200 -91.000 HIS 27 0.900 8.279 10.687 11.692 -99.200 -91.000 TYR 36 0.840 -1.220 24.188 11.398 -99.200 -91.000 HIS 37 0.900 -4.244 24.429 19.481 -99.200 -91.000 HIS 38 0.900 2.713 24.159 21.912 -99.200 -91.000 HIS 51 0.900 15.840 29.012 18.948 -99.200 -91.000 PHE 62 1.000 30.099 40.884 13.929 -99.200 -91.000 TRP 67 1.040 36.263 45.524 10.959 -99.200 -91.000 TRP6 67 1.020 36.307 44.139 9.035 -99.200 -91.000 PHE 71 1.000 32.790 38.867 8.522 -99.200 -91.000 TRP 74 1.040 28.196 35.567 12.544 -99.200 -91.000 TRP6 74 1.020 28.589 35.908 10.221 -99.200 -91.000 TYR 78 0.840 26.136 31.205 8.980 -99.200 -91.000 PHE 82 1.000 23.347 27.373 9.023 -99.200 -91.000 HIS 85 0.900 21.709 19.713 12.786 -99.200 -91.000 TYR 106 0.840 20.786 37.629 9.467 -99.200 -91.000 HIS 107 0.900 17.948 44.026 15.071 -99.200 -91.000 PHE 118 1.000 32.978 46.903 6.451 -99.200 -91.000 HIS 122 0.900 29.020 49.593 -0.264 -99.200 -91.000 PHE 132 1.000 34.600 31.026 2.920 -99.200 -91.000 PHE 175 1.000 36.261 28.460 8.281 -99.200 -91.000 PHE 186 1.000 33.680 41.026 3.421 -99.200 -91.000 HIS 187 0.900 40.834 44.722 7.838 -99.200 -91.000 HIS 188 0.900 41.487 47.314 -1.728 -99.200 -91.000