============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 31 0.900 0.232 -10.195 9.722 -99.200 -91.000 TYR 37 0.840 -0.908 -4.891 11.134 -99.200 -91.000 TRP 40 1.040 6.662 5.857 15.312 -99.200 -91.000 TRP6 40 1.020 8.833 5.986 16.267 -99.200 -91.000 TYR 41 0.840 1.258 2.986 21.098 -99.200 -91.000 TYR 54 0.840 -3.801 4.178 12.186 -99.200 -91.000 PHE 60 1.000 -6.328 7.545 17.708 -99.200 -91.000 PHE 67 1.000 3.607 14.784 17.577 -99.200 -91.000 PHE 76 1.000 9.462 0.494 10.272 -99.200 -91.000 TYR 91 0.840 7.669 11.676 21.341 -99.200 -91.000 TYR 92 0.840 8.114 4.013 25.725 -99.200 -91.000 PHE 94 1.000 3.265 -2.588 20.403 -99.200 -91.000 HIS 98 0.900 7.246 -10.254 12.779 -99.200 -91.000 PHE 103 1.000 5.068 -1.188 23.862 -99.200 -91.000 PHE 123 1.000 25.063 17.597 52.793 -99.200 -91.000 PHE 140 1.000 21.600 16.138 48.659 -99.200 -91.000 PHE 144 1.000 24.023 16.823 36.725 -99.200 -91.000 TYR 145 0.840 21.669 20.703 29.025 -99.200 -91.000 TRP 153 1.040 30.140 7.682 46.458 -99.200 -91.000 TRP6 153 1.020 29.928 9.040 48.367 -99.200 -91.000 TRP 168 1.040 20.620 10.328 37.709 -99.200 -91.000 TRP6 168 1.020 20.834 8.025 38.184 -99.200 -91.000 TYR 178 0.840 18.749 16.702 32.595 -99.200 -91.000 TYR 191 0.840 31.381 7.125 59.181 -99.200 -91.000 HIS 194 0.900 37.975 1.810 55.492 -99.200 -91.000 TYR 197 0.840 34.091 7.629 55.011 -99.200 -91.000 HIS 203 0.900 28.480 18.372 33.502 -99.200 -91.000 PHE 214 1.000 32.507 12.665 55.448 -99.200 -91.000