============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 10 0.840 -95.552 9.585 32.183 -99.200 -91.000 TYR 22 0.840 -87.842 -5.846 24.404 -99.200 -91.000 TYR 26 0.840 -78.761 -8.378 16.979 -99.200 -91.000 TYR 33 0.840 -76.371 -3.909 25.577 -99.200 -91.000 HIS 48 0.900 -99.369 14.263 23.981 -99.200 -91.000 PHE 55 1.000 -85.582 17.006 31.169 -99.200 -91.000 TYR 75 0.840 -97.176 5.108 13.986 -99.200 -91.000 TYR 85 0.840 -80.963 -3.628 28.986 -99.200 -91.000 TYR 86 0.840 -76.748 -3.102 31.432 -99.200 -91.000 TYR 87 0.840 -81.731 6.547 34.169 -99.200 -91.000 PHE 88 1.000 -85.726 4.395 31.377 -99.200 -91.000 PHE 98 1.000 -89.224 3.762 41.205 -99.200 -91.000 PHE 106 1.000 -93.872 1.626 37.889 -99.200 -91.000 TYR 111 0.840 -105.603 3.996 35.080 -99.200 -91.000 TRP 125 1.040 -107.093 -5.657 32.906 -99.200 -91.000 TRP6 125 1.020 -108.202 -3.632 32.356 -99.200 -91.000 TRP 138 1.040 -94.973 1.904 46.188 -99.200 -91.000 TRP6 138 1.020 -94.038 2.042 44.013 -99.200 -91.000 HIS 149 0.900 -110.328 -9.896 43.372 -99.200 -91.000 HIS 153 0.900 -109.963 -17.475 36.287 -99.200 -91.000 HIS 155 0.900 -104.816 -14.775 26.944 -99.200 -91.000 TYR 158 0.840 -102.324 -12.404 38.945 -99.200 -91.000 PHE 170 1.000 -105.607 5.888 40.252 -99.200 -91.000 HIS 172 0.900 -106.533 17.026 42.817 -99.200 -91.000 HIS 178 0.900 -101.776 20.272 37.458 -99.200 -91.000