============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 -19.963 -16.467 -2.030 -99.200 -91.000 TYR 7 0.840 -9.256 -5.101 -0.807 -99.200 -91.000 PHE 8 1.000 -12.384 -3.418 -8.612 -99.200 -91.000 PHE 9 1.000 -5.618 -1.098 -4.104 -99.200 -91.000 PHE 22 1.000 -4.369 4.813 -3.513 -99.200 -91.000 TYR 27 0.840 -17.011 -2.905 -5.488 -99.200 -91.000 PHE 33 1.000 -14.366 -5.420 1.802 -99.200 -91.000 PHE 36 1.000 -6.608 6.694 1.774 -99.200 -91.000 TRP 51 1.040 -21.526 -6.453 4.946 -99.200 -91.000 TRP6 51 1.020 -19.276 -7.041 4.521 -99.200 -91.000 TYR 59 0.840 -10.654 -4.718 8.805 -99.200 -91.000 TRP 60 1.040 -12.521 -0.019 11.011 -99.200 -91.000 TRP6 60 1.020 -12.844 -0.001 8.672 -99.200 -91.000 HIS 70 0.900 -1.832 -1.149 -1.222 -99.200 -91.000 HIS 74 0.900 -0.897 2.167 -7.219 -99.200 -91.000 TYR 84 0.840 9.668 2.073 -16.215 -99.200 -91.000 TYR 85 0.840 5.001 3.378 -21.256 -99.200 -91.000 HIS 93 0.900 0.699 10.901 -18.617 -99.200 -91.000 TYR 99 0.840 -4.603 -6.150 -4.060 -99.200 -91.000 TRP 107 1.040 -17.858 -20.323 1.502 -99.200 -91.000 TRP6 107 1.020 -18.399 -19.096 3.441 -99.200 -91.000 PHE 109 1.000 -6.250 -19.623 -4.759 -99.200 -91.000 TYR 113 0.840 -9.123 -12.094 -9.138 -99.200 -91.000 HIS 114 0.900 -0.552 -7.448 -8.562 -99.200 -91.000 TYR 116 0.840 0.311 -1.180 -12.152 -99.200 -91.000 TYR 118 0.840 1.282 5.042 -17.635 -99.200 -91.000 TYR 123 0.840 3.596 -1.179 -16.990 -99.200 -91.000 TRP 133 1.040 5.609 -11.175 -12.404 -99.200 -91.000 TRP6 133 1.020 3.876 -10.130 -11.191 -99.200 -91.000 HIS 145 0.900 13.353 -8.144 -18.150 -99.200 -91.000 TRP 147 1.040 7.064 -5.776 -10.038 -99.200 -91.000 TRP6 147 1.020 4.816 -5.757 -10.763 -99.200 -91.000 HIS 151 0.900 13.013 -14.275 -5.869 -99.200 -91.000 TYR 159 0.840 -3.733 -10.028 -0.162 -99.200 -91.000 TRP 167 1.040 -8.531 -11.236 7.218 -99.200 -91.000 TRP6 167 1.020 -9.712 -10.007 8.844 -99.200 -91.000 TYR 171 0.840 -13.531 -8.967 5.014 -99.200 -91.000 HIS 188 0.900 -41.912 -3.957 -14.558 -99.200 -91.000 HIS 191 0.900 -47.658 -2.332 -26.646 -99.200 -91.000 HIS 192 0.900 -44.183 3.482 -22.717 -99.200 -91.000 HIS 197 0.900 -45.275 1.684 -38.941 -99.200 -91.000 TRP 204 1.040 -38.846 -2.087 -17.536 -99.200 -91.000 TRP6 204 1.020 -37.380 -0.378 -16.828 -99.200 -91.000 PHE 208 1.000 -30.792 -7.847 -11.731 -99.200 -91.000 TYR 209 0.840 -25.744 -9.065 -4.139 -99.200 -91.000 TRP 217 1.040 -37.362 -8.228 -25.504 -99.200 -91.000 TRP6 217 1.020 -39.697 -8.471 -25.323 -99.200 -91.000 PHE 241 1.000 -25.691 -4.582 -8.878 -99.200 -91.000 TRP 244 1.040 -34.161 -0.598 -19.788 -99.200 -91.000 TRP6 244 1.020 -33.847 -0.323 -22.111 -99.200 -91.000 TYR 257 0.840 -41.126 -9.525 -31.435 -99.200 -91.000 HIS 260 0.900 -37.570 -16.820 -23.418 -99.200 -91.000 HIS 263 0.900 -30.446 -13.098 -10.335 -99.200 -91.000 TRP 274 1.040 -48.995 -6.724 -24.312 -99.200 -91.000 TRP6 274 1.020 -48.186 -5.397 -22.530 -99.200 -91.000