============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 20 0.840 33.139 42.174 49.570 -99.200 -91.000 PHE 21 1.000 28.492 45.627 47.266 -99.200 -91.000 TYR 38 0.840 22.002 36.932 49.452 -99.200 -91.000 PHE 40 1.000 17.910 41.941 52.399 -99.200 -91.000 PHE 48 1.000 26.355 34.760 47.866 -99.200 -91.000 TYR 52 0.840 30.756 32.221 44.977 -99.200 -91.000 HIS 77 0.900 16.183 24.321 31.163 -99.200 -91.000 TYR 79 0.840 19.561 35.449 31.904 -99.200 -91.000 TYR 80 0.840 23.135 36.009 39.169 -99.200 -91.000 HIS 85 0.900 28.647 30.538 39.224 -99.200 -91.000 PHE 104 1.000 27.139 16.092 31.956 -99.200 -91.000 PHE 118 1.000 27.053 12.065 44.187 -99.200 -91.000 PHE 142 1.000 36.066 12.802 42.024 -99.200 -91.000 TRP 148 1.040 31.719 18.226 52.810 -99.200 -91.000 TRP6 148 1.020 30.303 17.747 54.616 -99.200 -91.000 PHE 156 1.000 26.333 28.268 47.304 -99.200 -91.000 PHE 157 1.000 26.699 27.067 42.109 -99.200 -91.000 TYR 173 0.840 28.846 37.779 35.509 -99.200 -91.000 HIS 174 0.900 24.521 37.805 28.926 -99.200 -91.000