============================================================================= 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 12 1.000 46.954 70.807 34.397 -99.200 -91.000 PHE 31 1.000 56.808 73.313 31.482 -99.200 -91.000 TYR 45 0.840 41.373 53.794 33.474 -99.200 -91.000 PHE 77 1.000 44.165 57.921 56.395 -99.200 -91.000 TYR 87 0.840 41.104 52.817 45.467 -99.200 -91.000 TRP 90 1.040 35.684 56.996 45.003 -99.200 -91.000 TRP6 90 1.020 33.806 57.567 43.758 -99.200 -91.000 PHE 91 1.000 37.770 54.736 51.931 -99.200 -91.000 HIS 101 0.900 41.396 61.553 64.457 -99.200 -91.000 PHE 107 1.000 44.544 49.849 61.853 -99.200 -91.000 TYR 113 0.840 52.746 58.071 51.202 -99.200 -91.000 PHE 118 1.000 50.982 67.846 38.127 -99.200 -91.000 PHE 132 1.000 57.847 64.264 35.061 -99.200 -91.000 PHE 149 1.000 40.394 76.203 52.863 -99.200 -91.000 TRP 151 1.040 42.782 65.018 51.021 -99.200 -91.000 TRP6 151 1.020 44.991 65.756 51.422 -99.200 -91.000 PHE 155 1.000 49.312 65.337 55.489 -99.200 -91.000 TYR 160 0.840 55.211 73.875 58.214 -99.200 -91.000 TYR 164 0.840 49.043 69.695 53.391 -99.200 -91.000 HIS 177 0.900 49.946 67.226 48.513 -99.200 -91.000 PHE 179 1.000 53.572 75.273 45.395 -99.200 -91.000 TYR 188 0.840 61.477 64.694 31.319 -99.200 -91.000 PHE 189 1.000 59.466 69.346 29.603 -99.200 -91.000