============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 -24.064 -10.638 -3.199 -99.200 -91.000 TRP 14 1.040 -30.552 -9.969 0.388 -99.200 -91.000 TRP6 14 1.020 -28.572 -11.264 0.117 -99.200 -91.000 TRP 33 1.040 -18.587 -22.716 19.654 -99.200 -91.000 TRP6 33 1.020 -20.835 -23.476 19.827 -99.200 -91.000 PHE 35 1.000 -21.024 -14.145 19.769 -99.200 -91.000 HIS 48 0.900 -36.870 -18.486 3.743 -99.200 -91.000 HIS 52 0.900 -42.490 -8.366 4.562 -99.200 -91.000 TYR 78 0.840 -17.030 -30.117 18.173 -99.200 -91.000 TRP 83 1.040 -24.618 -23.060 10.612 -99.200 -91.000 TRP6 83 1.020 -25.811 -21.558 9.196 -99.200 -91.000 PHE 85 1.000 -29.490 -26.517 20.027 -99.200 -91.000 TRP 86 1.040 -31.667 -22.071 12.882 -99.200 -91.000 TRP6 86 1.020 -31.209 -22.046 10.551 -99.200 -91.000 TYR 97 0.840 -22.371 -7.155 29.272 -99.200 -91.000 HIS 100 0.900 -32.003 -4.632 29.721 -99.200 -91.000 TYR 106 0.840 -21.891 -13.423 24.375 -99.200 -91.000 HIS 114 0.900 -13.190 -2.795 29.035 -99.200 -91.000 TYR 139 0.840 -38.339 -10.985 23.511 -99.200 -91.000 TYR 143 0.840 -35.906 -20.971 25.560 -99.200 -91.000 HIS 148 0.900 -36.848 -16.377 15.192 -99.200 -91.000 TYR 149 0.840 -37.973 -24.669 15.959 -99.200 -91.000 TYR 151 0.840 -35.745 -27.793 3.803 -99.200 -91.000 TYR 154 0.840 -26.895 -25.890 2.776 -99.200 -91.000 TYR 168 0.840 -25.320 -13.192 -7.441 -99.200 -91.000 PHE 177 1.000 -9.411 -16.856 9.696 -99.200 -91.000 TYR 180 0.840 -0.910 -19.469 10.035 -99.200 -91.000 PHE 183 1.000 -7.651 -12.406 11.513 -99.200 -91.000 TYR 186 0.840 -7.596 -6.744 7.967 -99.200 -91.000 TYR 191 0.840 -4.328 -12.522 7.392 -99.200 -91.000 HIS 193 0.900 0.828 -16.878 7.962 -99.200 -91.000 HIS 202 0.900 -11.918 -16.500 15.234 -99.200 -91.000 TRP 209 1.040 -17.694 -12.121 -5.111 -99.200 -91.000 TRP6 209 1.020 -19.771 -13.183 -4.727 -99.200 -91.000 TYR 217 0.840 -12.450 -7.849 -1.239 -99.200 -91.000 TRP 218 1.040 -13.251 -16.054 0.161 -99.200 -91.000 TRP6 218 1.020 -15.184 -16.557 -1.128 -99.200 -91.000 TRP 224 1.040 -11.777 -11.791 17.944 -99.200 -91.000 TRP6 224 1.020 -9.654 -12.068 16.907 -99.200 -91.000 TRP 228 1.040 -9.310 -7.460 14.981 -99.200 -91.000 TRP6 228 1.020 -10.074 -8.315 12.920 -99.200 -91.000 PHE 233 1.000 -18.395 -5.915 8.630 -99.200 -91.000 PHE 234 1.000 -11.386 -11.635 8.499 -99.200 -91.000 HIS 242 0.900 -3.823 -16.877 2.607 -99.200 -91.000