============================================================================= 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. PHE 11 1.000 61.869 7.989 25.298 -99.200 -91.000 HIS 34 0.900 49.901 17.332 34.239 -99.200 -91.000 TYR 36 0.840 49.331 18.486 22.255 -99.200 -91.000 TRP 54 1.040 44.802 5.734 25.522 -99.200 -91.000 TRP6 54 1.020 43.201 7.302 26.308 -99.200 -91.000 PHE 62 1.000 46.376 15.244 25.439 -99.200 -91.000 PHE 94 1.000 43.669 4.045 42.094 -99.200 -91.000 HIS 97 0.900 52.165 12.416 36.451 -99.200 -91.000 TRP 99 1.040 55.758 8.908 31.660 -99.200 -91.000 TRP6 99 1.020 53.667 10.000 31.969 -99.200 -91.000 HIS 113 0.900 54.916 -10.286 21.933 -99.200 -91.000 PHE 134 1.000 60.764 -2.754 27.467 -99.200 -91.000 TYR 157 0.840 63.735 13.965 46.102 -99.200 -91.000 PHE 158 1.000 58.852 20.164 49.386 -99.200 -91.000 PHE 160 1.000 56.844 23.548 38.839 -99.200 -91.000 HIS 161 0.900 54.494 17.600 36.783 -99.200 -91.000 TYR 164 0.840 59.395 13.875 38.678 -99.200 -91.000 TYR 166 0.840 52.521 5.131 39.560 -99.200 -91.000 PHE 167 1.000 63.249 6.819 38.642 -99.200 -91.000 PHE 171 1.000 64.255 2.256 39.977 -99.200 -91.000 HIS 178 0.900 53.154 16.833 45.541 -99.200 -91.000 PHE 179 1.000 58.831 24.227 44.587 -99.200 -91.000 HIS 193 0.900 56.672 30.912 55.669 -99.200 -91.000 PHE 208 1.000 65.959 16.906 42.050 -99.200 -91.000 PHE 213 1.000 55.146 23.049 33.468 -99.200 -91.000 TYR 246 0.840 60.659 2.718 30.244 -99.200 -91.000 PHE 249 1.000 61.780 8.543 31.039 -99.200 -91.000 TYR 257 0.840 64.720 11.646 41.201 -99.200 -91.000