============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 39 1.000 25.393 5.352 23.157 -99.200 -91.000 HIS 47 0.900 14.782 -0.099 12.366 -99.200 -91.000 HIS 49 0.900 15.456 -5.142 10.192 -99.200 -91.000 PHE 64 1.000 14.958 -8.711 16.955 -99.200 -91.000 HIS 72 0.900 19.340 -3.138 27.515 -99.200 -91.000 HIS 74 0.900 29.812 -4.425 25.004 -99.200 -91.000 PHE 81 1.000 14.067 -5.849 20.412 -99.200 -91.000 PHE 111 1.000 9.354 -2.891 1.452 -99.200 -91.000 TYR 116 0.840 6.971 -4.228 4.650 -99.200 -91.000 TRP 125 1.040 -1.231 -10.645 17.841 -99.200 -91.000 TRP6 125 1.020 1.103 -10.927 17.568 -99.200 -91.000 TYR 132 0.840 4.624 -8.443 25.940 -99.200 -91.000 PHE 141 1.000 7.905 1.492 4.368 -99.200 -91.000 HIS 145 0.900 1.473 3.155 4.555 -99.200 -91.000 HIS 152 0.900 -0.862 8.795 19.975 -99.200 -91.000 TYR 158 0.840 3.043 2.160 26.012 -99.200 -91.000 TYR 162 0.840 10.337 9.318 16.353 -99.200 -91.000 PHE 165 1.000 7.254 12.657 7.725 -99.200 -91.000 PHE 178 1.000 10.713 16.670 4.637 -99.200 -91.000 PHE 180 1.000 -0.520 17.287 2.004 -99.200 -91.000 TYR 181 0.840 4.890 11.830 3.390 -99.200 -91.000 TRP 192 1.040 8.027 15.972 11.848 -99.200 -91.000 TRP6 192 1.020 9.837 16.271 10.379 -99.200 -91.000 TRP 207 1.040 14.980 17.317 1.341 -99.200 -91.000 TRP6 207 1.020 13.686 15.779 0.094 -99.200 -91.000 HIS 214 0.900 13.635 14.618 16.574 -99.200 -91.000 TYR 248 0.840 20.350 22.935 7.518 -99.200 -91.000 TRP 255 1.040 22.453 8.107 26.839 -99.200 -91.000 TRP6 255 1.020 21.232 7.599 28.800 -99.200 -91.000