============================================================================= 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 22 0.900 12.787 22.481 58.375 -99.200 -91.000 PHE 24 1.000 17.810 19.945 55.874 -99.200 -91.000 TRP 32 1.040 22.080 18.425 51.400 -99.200 -91.000 TRP6 32 1.020 23.840 19.640 52.402 -99.200 -91.000 PHE 35 1.000 23.797 20.424 63.445 -99.200 -91.000 HIS 47 0.900 19.600 34.714 69.012 -99.200 -91.000 PHE 55 1.000 28.098 25.164 63.274 -99.200 -91.000 TYR 60 0.840 27.268 22.063 59.914 -99.200 -91.000 TYR 69 0.840 7.765 36.495 55.722 -99.200 -91.000 TRP 70 1.040 8.253 36.187 50.184 -99.200 -91.000 TRP6 70 1.020 8.082 38.449 50.870 -99.200 -91.000 PHE 78 1.000 12.165 32.543 40.507 -99.200 -91.000 HIS 79 0.900 14.144 33.058 44.857 -99.200 -91.000 HIS 81 0.900 14.418 25.400 49.324 -99.200 -91.000 PHE 86 1.000 27.359 27.418 57.059 -99.200 -91.000 TYR 96 0.840 30.701 29.674 61.288 -99.200 -91.000 TYR 105 0.840 8.873 36.759 41.102 -99.200 -91.000 TYR 107 0.840 17.748 33.617 48.166 -99.200 -91.000