============================================================================= 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 21 0.900 -5.381 -21.406 -5.505 -99.200 -91.000 PHE 23 1.000 0.082 -23.234 -7.970 -99.200 -91.000 TRP 31 1.040 4.640 -24.151 -12.311 -99.200 -91.000 TRP6 31 1.020 6.114 -22.576 -11.395 -99.200 -91.000 PHE 34 1.000 5.833 -21.412 -0.314 -99.200 -91.000 HIS 46 0.900 -0.772 -8.045 5.038 -99.200 -91.000 PHE 54 1.000 9.153 -16.327 -0.273 -99.200 -91.000 TYR 59 0.840 8.959 -19.455 -3.856 -99.200 -91.000 TYR 68 0.840 -12.394 -8.397 -8.257 -99.200 -91.000 TRP 69 1.040 -12.110 -8.589 -13.664 -99.200 -91.000 TRP6 69 1.020 -12.705 -6.396 -13.009 -99.200 -91.000 PHE 77 1.000 -8.152 -11.282 -23.858 -99.200 -91.000 HIS 78 0.900 -5.920 -10.527 -19.411 -99.200 -91.000 HIS 80 0.900 -4.327 -18.275 -14.905 -99.200 -91.000 PHE 85 1.000 8.095 -13.918 -7.056 -99.200 -91.000 TYR 95 0.840 11.034 -11.520 -2.883 -99.200 -91.000 TYR 104 0.840 -12.121 -7.399 -22.800 -99.200 -91.000 TYR 106 0.840 -2.475 -9.435 -15.984 -99.200 -91.000