============================================================================= 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. HIS 11 0.900 -14.817 29.043 75.437 -99.200 -91.000 TYR 24 0.840 2.896 35.052 108.446 -99.200 -91.000 TYR 28 0.840 0.985 41.522 103.078 -99.200 -91.000 PHE 39 1.000 -8.833 35.255 89.294 -99.200 -91.000 PHE 44 1.000 -6.640 33.246 92.577 -99.200 -91.000 TYR 45 0.840 -6.198 25.621 94.128 -99.200 -91.000 TYR 46 0.840 -4.317 34.331 96.956 -99.200 -91.000 HIS 48 0.900 -0.455 32.663 101.146 -99.200 -91.000 TYR 63 0.840 4.692 30.791 92.176 -99.200 -91.000 TYR 75 0.840 10.537 43.128 91.229 -99.200 -91.000 HIS 90 0.900 -2.878 54.766 101.891 -99.200 -91.000 TYR 92 0.840 2.102 44.289 98.731 -99.200 -91.000 HIS 96 0.900 7.079 51.109 104.190 -99.200 -91.000 PHE 126 1.000 14.738 59.989 103.909 -99.200 -91.000 PHE 127 1.000 18.793 57.515 104.346 -99.200 -91.000 TYR 139 0.840 11.895 47.900 113.134 -99.200 -91.000 HIS 140 0.900 15.239 41.398 116.884 -99.200 -91.000 TRP 156 1.040 10.039 48.092 110.211 -99.200 -91.000 TRP6 156 1.020 10.037 46.686 108.304 -99.200 -91.000 PHE 178 1.000 10.038 57.824 100.022 -99.200 -91.000 TYR 193 0.840 -0.391 39.003 74.278 -99.200 -91.000 HIS 205 0.900 -16.698 50.126 94.666 -99.200 -91.000 HIS 210 0.900 -13.910 39.699 99.882 -99.200 -91.000 TYR 223 0.840 -5.980 34.039 103.626 -99.200 -91.000