============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 10 0.840 17.182 24.315 7.724 -99.200 -91.000 TRP 16 1.040 21.349 17.881 3.455 -99.200 -91.000 TRP6 16 1.020 20.408 20.045 3.258 -99.200 -91.000 HIS 28 0.900 49.329 23.637 0.852 -99.200 -91.000 TRP 30 1.040 43.424 18.236 3.985 -99.200 -91.000 TRP6 30 1.020 43.729 15.891 4.090 -99.200 -91.000 HIS 61 0.900 32.552 16.026 11.644 -99.200 -91.000 HIS 83 0.900 24.100 30.230 1.153 -99.200 -91.000 HIS 85 0.900 20.048 31.106 3.309 -99.200 -91.000 HIS 88 0.900 25.126 26.256 2.974 -99.200 -91.000 HIS 122 0.900 14.100 35.180 -1.348 -99.200 -91.000 PHE 123 1.000 15.217 30.156 3.003 -99.200 -91.000 TYR 129 0.840 22.913 31.639 10.972 -99.200 -91.000 PHE 151 1.000 42.072 31.175 1.198 -99.200 -91.000 HIS 154 0.900 36.314 35.573 -7.956 -99.200 -91.000 PHE 155 1.000 31.066 41.079 -2.812 -99.200 -91.000 HIS 159 0.900 20.581 29.915 -1.811 -99.200 -91.000 TRP 166 1.040 34.955 33.285 -0.022 -99.200 -91.000 TRP6 166 1.020 36.330 35.176 0.332 -99.200 -91.000 TRP 168 1.040 41.917 27.673 -2.050 -99.200 -91.000 TRP6 168 1.020 39.562 27.561 -1.780 -99.200 -91.000 TYR 181 0.840 32.729 26.456 -0.684 -99.200 -91.000 TYR 190 0.840 15.345 32.061 -2.565 -99.200 -91.000 TYR 198 0.840 17.739 39.940 -4.326 -99.200 -91.000 HIS 200 0.900 16.722 46.442 -9.150 -99.200 -91.000 TYR 205 0.840 19.075 33.821 -8.071 -99.200 -91.000 PHE 209 1.000 21.850 32.016 -13.249 -99.200 -91.000 HIS 224 0.900 23.161 21.918 0.315 -99.200 -91.000 TRP 230 1.040 33.253 18.000 -5.826 -99.200 -91.000 TRP6 230 1.020 35.266 17.048 -5.030 -99.200 -91.000 TYR 232 0.840 32.134 16.854 -0.261 -99.200 -91.000 TYR 248 0.840 27.147 25.638 -9.371 -99.200 -91.000 PHE 256 1.000 16.566 32.788 -11.794 -99.200 -91.000