============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 2 0.900 15.116 -46.784 -82.580 -99.200 -91.000 PHE 35 1.000 2.727 -48.310 -69.353 -99.200 -91.000 HIS 53 0.900 -1.461 -49.165 -56.658 -99.200 -91.000 PHE 80 1.000 -2.475 -47.152 -71.084 -99.200 -91.000 TYR 90 0.840 -12.661 -37.838 -70.331 -99.200 -91.000 PHE 92 1.000 -11.880 -40.631 -64.959 -99.200 -91.000 TRP 112 1.040 -1.510 -30.659 -69.158 -99.200 -91.000 TRP6 112 1.020 0.526 -31.236 -68.092 -99.200 -91.000 PHE 113 1.000 1.225 -33.070 -74.983 -99.200 -91.000 PHE 136 1.000 2.158 -28.706 -54.047 -99.200 -91.000 HIS 151 0.900 -2.154 -21.409 -70.291 -99.200 -91.000 HIS 159 0.900 -11.441 -29.463 -48.019 -99.200 -91.000 PHE 161 1.000 -10.524 -33.808 -43.483 -99.200 -91.000 TYR 162 0.840 -8.620 -43.925 -43.398 -99.200 -91.000 PHE 179 1.000 4.610 -28.064 -73.908 -99.200 -91.000 HIS 205 0.900 -11.111 -28.580 -28.429 -99.200 -91.000 PHE 218 1.000 7.708 -21.210 -39.440 -99.200 -91.000 HIS 221 0.900 4.029 -11.862 -43.032 -99.200 -91.000 HIS 226 0.900 -13.610 -23.709 -44.745 -99.200 -91.000 PHE 251 1.000 6.830 -26.495 -47.632 -99.200 -91.000 PHE 252 1.000 -0.864 -32.228 -47.040 -99.200 -91.000 TYR 275 0.840 10.636 -23.823 -49.212 -99.200 -91.000 TYR 285 0.840 6.440 -33.153 -50.011 -99.200 -91.000 PHE 302 1.000 13.193 -28.810 -60.382 -99.200 -91.000 HIS 306 0.900 16.734 -35.597 -49.934 -99.200 -91.000 HIS 310 0.900 7.034 -40.192 -54.873 -99.200 -91.000 PHE 321 1.000 6.760 -44.238 -71.442 -99.200 -91.000 PHE 326 1.000 14.502 -34.083 -66.482 -99.200 -91.000