============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 11 1.000 48.020 11.441 6.697 -99.200 -91.000 TRP 15 1.040 61.160 4.875 10.223 -99.200 -91.000 TRP6 15 1.020 62.524 6.603 11.051 -99.200 -91.000 PHE 28 1.000 64.794 13.080 5.276 -99.200 -91.000 PHE 35 1.000 43.903 10.163 3.974 -99.200 -91.000 HIS 38 0.900 38.381 13.227 16.419 -99.200 -91.000 PHE 54 1.000 30.023 33.179 10.054 -99.200 -91.000 TYR 55 0.840 28.436 35.916 20.656 -99.200 -91.000 PHE 60 1.000 39.509 34.323 16.883 -99.200 -91.000 TYR 62 0.840 47.818 24.843 15.815 -99.200 -91.000 TRP 98 1.040 34.943 39.571 8.245 -99.200 -91.000 TRP6 98 1.020 33.716 37.875 9.340 -99.200 -91.000 PHE 105 1.000 38.906 31.394 5.700 -99.200 -91.000 TYR 117 0.840 71.035 24.100 -1.133 -99.200 -91.000 TYR 123 0.840 47.734 23.254 2.884 -99.200 -91.000 HIS 141 0.900 46.334 18.121 -3.367 -99.200 -91.000 PHE 144 1.000 55.506 12.178 -0.899 -99.200 -91.000 PHE 147 1.000 48.784 17.501 0.287 -99.200 -91.000 PHE 149 1.000 43.051 20.176 2.380 -99.200 -91.000 TYR 150 0.840 39.234 15.511 8.066 -99.200 -91.000 PHE 155 1.000 32.246 24.891 20.318 -99.200 -91.000 PHE 158 1.000 37.100 17.593 13.352 -99.200 -91.000 TYR 162 0.840 40.981 16.813 -2.273 -99.200 -91.000 HIS 164 0.900 46.724 13.446 -3.522 -99.200 -91.000 PHE 166 1.000 52.263 8.863 -0.709 -99.200 -91.000 TYR 181 0.840 46.896 15.107 -7.959 -99.200 -91.000 PHE 183 1.000 40.421 20.550 -2.667 -99.200 -91.000