============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 20 0.900 51.457 36.374 47.571 -99.200 -91.000 TYR 21 0.840 52.804 43.078 43.581 -99.200 -91.000 TRP 41 1.040 39.607 36.376 51.556 -99.200 -91.000 TRP6 41 1.020 37.568 35.244 51.200 -99.200 -91.000 PHE 53 1.000 39.615 35.553 45.774 -99.200 -91.000 TRP 69 1.040 41.864 46.400 47.651 -99.200 -91.000 TRP6 69 1.020 43.602 44.807 47.417 -99.200 -91.000 TRP 81 1.040 58.151 47.712 46.072 -99.200 -91.000 TRP6 81 1.020 57.103 46.135 44.655 -99.200 -91.000 PHE 102 1.000 37.617 46.287 28.455 -99.200 -91.000 HIS 106 0.900 34.339 51.143 37.059 -99.200 -91.000 PHE 158 1.000 47.338 35.484 21.126 -99.200 -91.000 TYR 162 0.840 37.918 30.409 19.622 -99.200 -91.000 TYR 167 0.840 37.841 43.428 16.079 -99.200 -91.000 PHE 173 1.000 44.582 44.314 23.324 -99.200 -91.000 HIS 174 0.900 50.949 49.269 24.075 -99.200 -91.000 PHE 182 1.000 48.424 26.824 24.162 -99.200 -91.000 HIS 189 0.900 53.896 16.831 25.814 -99.200 -91.000 TYR 220 0.840 65.758 32.374 30.289 -99.200 -91.000 PHE 222 1.000 61.111 26.264 21.092 -99.200 -91.000 PHE 230 1.000 59.722 41.993 27.539 -99.200 -91.000 PHE 244 1.000 58.417 42.019 41.944 -99.200 -91.000