============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 226.045 51.192 -25.762 -99.200 -91.000 PHE 4 1.000 225.029 44.060 -32.232 -99.200 -91.000 TYR 27 0.840 215.789 40.418 -6.363 -99.200 -91.000 TYR 43 0.840 199.289 34.512 1.750 -99.200 -91.000 TYR 47 0.840 195.109 32.318 8.689 -99.200 -91.000 TYR 49 0.840 193.900 43.924 9.058 -99.200 -91.000 HIS 50 0.900 189.355 35.647 5.689 -99.200 -91.000 PHE 53 1.000 184.204 37.996 7.746 -99.200 -91.000 TYR 55 0.840 185.061 39.059 18.769 -99.200 -91.000 PHE 56 1.000 185.090 43.281 15.910 -99.200 -91.000 PHE 69 1.000 189.025 48.748 8.385 -99.200 -91.000 PHE 70 1.000 188.814 44.809 11.895 -99.200 -91.000 HIS 80 0.900 198.555 45.933 0.609 -99.200 -91.000 TYR 87 0.840 210.219 43.974 -7.185 -99.200 -91.000 PHE 107 1.000 190.743 39.493 17.178 -99.200 -91.000 HIS 109 0.900 190.654 45.609 26.749 -99.200 -91.000 HIS 117 0.900 191.937 44.334 22.328 -99.200 -91.000 HIS 137 0.900 213.774 52.547 1.097 -99.200 -91.000 PHE 151 1.000 207.300 46.231 -5.655 -99.200 -91.000 TYR 156 0.840 203.978 46.718 -1.228 -99.200 -91.000 TYR 170 0.840 188.349 53.757 10.203 -99.200 -91.000 HIS 181 0.900 172.759 55.859 20.259 -99.200 -91.000 TRP 184 1.040 174.090 49.789 16.176 -99.200 -91.000 TRP6 184 1.020 172.716 51.508 15.330 -99.200 -91.000 HIS 185 0.900 175.555 57.656 14.832 -99.200 -91.000 PHE 186 1.000 184.086 54.056 13.949 -99.200 -91.000 HIS 192 0.900 174.995 52.143 5.412 -99.200 -91.000