============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 11 1.000 33.635 -27.065 50.655 -99.200 -91.000 PHE 24 1.000 23.762 -33.481 60.253 -99.200 -91.000 PHE 40 1.000 34.065 -21.225 60.498 -99.200 -91.000 PHE 48 1.000 42.843 -23.269 71.342 -99.200 -91.000 PHE 60 1.000 31.776 -33.051 56.053 -99.200 -91.000 PHE 64 1.000 42.993 -24.688 49.050 -99.200 -91.000 HIS 67 0.900 48.205 -25.376 53.810 -99.200 -91.000 TYR 68 0.840 44.607 -33.245 52.173 -99.200 -91.000 HIS 94 0.900 42.558 -34.950 37.726 -99.200 -91.000 HIS 97 0.900 50.224 -33.848 43.528 -99.200 -91.000 TYR 104 0.840 49.298 -36.446 50.544 -99.200 -91.000 PHE 109 1.000 45.821 -37.878 59.086 -99.200 -91.000 PHE 118 1.000 28.907 -32.939 50.910 -99.200 -91.000 TRP 124 1.040 25.453 -18.399 46.808 -99.200 -91.000 TRP6 124 1.020 25.282 -17.161 48.812 -99.200 -91.000 PHE 159 1.000 24.209 -30.298 49.020 -99.200 -91.000 TRP 171 1.040 43.623 -38.956 39.238 -99.200 -91.000 TRP6 171 1.020 43.309 -38.925 36.900 -99.200 -91.000