============================================================================= 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. PHE 9 1.000 64.100 40.292 35.226 -99.200 -91.000 TYR 10 0.840 64.200 43.259 45.571 -99.200 -91.000 TYR 30 0.840 59.822 30.008 43.208 -99.200 -91.000 HIS 36 0.900 61.916 38.787 43.860 -99.200 -91.000 TYR 46 0.840 67.537 15.715 32.597 -99.200 -91.000 TYR 58 0.840 64.505 19.672 38.784 -99.200 -91.000 HIS 91 0.900 67.835 32.455 31.569 -99.200 -91.000 PHE 96 1.000 76.694 35.652 17.645 -99.200 -91.000 TYR 159 0.840 81.855 39.917 29.409 -99.200 -91.000 PHE 160 1.000 81.449 30.723 31.251 -99.200 -91.000 HIS 166 0.900 88.764 38.866 31.640 -99.200 -91.000 PHE 170 1.000 80.165 42.976 34.656 -99.200 -91.000 HIS 180 0.900 74.647 50.526 21.949 -99.200 -91.000 PHE 182 1.000 70.498 42.146 24.083 -99.200 -91.000 TRP 183 1.040 66.639 43.315 29.485 -99.200 -91.000 TRP6 183 1.020 64.815 41.859 29.180 -99.200 -91.000 TYR 195 0.840 75.033 39.161 43.905 -99.200 -91.000 HIS 213 0.900 73.399 32.762 34.392 -99.200 -91.000 TYR 215 0.840 75.929 28.701 36.591 -99.200 -91.000