============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 5 1.000 58.636 -17.049 44.500 -99.200 -91.000 PHE 34 1.000 47.770 -25.437 57.048 -99.200 -91.000 TYR 36 0.840 38.873 -26.494 60.151 -99.200 -91.000 HIS 46 0.900 45.740 -40.311 44.506 -99.200 -91.000 PHE 57 1.000 51.050 -31.328 46.011 -99.200 -91.000 HIS 60 0.900 50.046 -29.939 58.669 -99.200 -91.000 TYR 62 0.840 46.743 -28.586 62.273 -99.200 -91.000 PHE 70 1.000 46.082 -18.633 65.824 -99.200 -91.000 HIS 72 0.900 50.083 -28.297 66.937 -99.200 -91.000 PHE 73 1.000 46.831 -21.320 59.768 -99.200 -91.000 PHE 98 1.000 33.322 -13.152 61.074 -99.200 -91.000 TRP 115 1.040 45.868 -12.417 55.439 -99.200 -91.000 TRP6 115 1.020 43.610 -13.133 55.571 -99.200 -91.000 HIS 128 0.900 35.542 -11.233 48.725 -99.200 -91.000 PHE 140 1.000 37.343 -11.368 57.181 -99.200 -91.000 PHE 174 1.000 52.891 -11.150 47.538 -99.200 -91.000 PHE 178 1.000 53.217 -11.246 35.986 -99.200 -91.000 PHE 183 1.000 46.882 -3.243 48.568 -99.200 -91.000 TYR 184 0.840 36.665 -5.809 47.203 -99.200 -91.000 TYR 187 0.840 32.563 -12.529 38.025 -99.200 -91.000 PHE 193 1.000 28.267 -2.831 36.524 -99.200 -91.000 PHE 194 1.000 35.006 -8.381 36.137 -99.200 -91.000 TYR 217 0.840 53.695 0.674 55.969 -99.200 -91.000