============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 20 0.900 34.791 13.282 56.843 -99.200 -91.000 PHE 32 1.000 29.610 23.170 50.507 -99.200 -91.000 TYR 39 0.840 36.839 31.116 38.161 -99.200 -91.000 TRP 43 1.040 40.636 25.118 47.390 -99.200 -91.000 TRP6 43 1.020 41.602 26.214 49.255 -99.200 -91.000 PHE 44 1.000 41.704 19.900 45.613 -99.200 -91.000 PHE 67 1.000 26.903 22.929 44.905 -99.200 -91.000 HIS 80 0.900 32.005 16.588 41.386 -99.200 -91.000 HIS 81 0.900 28.018 11.486 39.544 -99.200 -91.000 TYR 82 0.840 33.505 7.250 36.500 -99.200 -91.000 TYR 85 0.840 32.701 10.256 48.220 -99.200 -91.000 HIS 96 0.900 46.142 16.153 44.959 -99.200 -91.000 PHE 98 1.000 40.531 20.072 40.971 -99.200 -91.000 TRP 104 1.040 38.937 15.521 33.103 -99.200 -91.000 TRP6 104 1.020 37.166 16.639 34.210 -99.200 -91.000 TYR 115 0.840 40.611 11.709 30.254 -99.200 -91.000 HIS 142 0.900 20.752 30.561 52.683 -99.200 -91.000 PHE 145 1.000 27.618 32.259 42.752 -99.200 -91.000 TYR 154 0.840 37.684 33.808 60.355 -99.200 -91.000 PHE 156 1.000 39.215 30.244 53.035 -99.200 -91.000 TYR 168 0.840 40.706 33.428 56.120 -99.200 -91.000