============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 3 1.000 -46.339 46.446 -0.462 -99.200 -91.000 TRP 8 1.040 -33.930 44.746 10.020 -99.200 -91.000 TRP6 8 1.020 -32.042 45.203 8.674 -99.200 -91.000 TYR 9 0.840 -40.752 43.531 4.835 -99.200 -91.000 TYR 34 0.840 -23.887 43.900 -6.560 -99.200 -91.000 HIS 50 0.900 -27.603 58.119 -18.757 -99.200 -91.000 PHE 52 1.000 -35.347 57.257 -14.875 -99.200 -91.000 HIS 64 0.900 -15.910 49.383 -8.537 -99.200 -91.000 TYR 69 0.840 -29.864 52.587 -22.598 -99.200 -91.000 HIS 70 0.900 -26.875 55.195 -21.895 -99.200 -91.000 PHE 74 1.000 -24.476 53.144 -10.572 -99.200 -91.000 HIS 82 0.900 -14.914 55.015 -15.282 -99.200 -91.000 HIS 85 0.900 -20.728 57.683 -21.355 -99.200 -91.000 PHE 99 1.000 -33.467 49.762 -1.312 -99.200 -91.000 TRP 109 1.040 -32.882 38.598 8.150 -99.200 -91.000 TRP6 109 1.020 -35.212 38.521 8.490 -99.200 -91.000 TRP 111 1.040 -34.911 49.845 7.352 -99.200 -91.000 TRP6 111 1.020 -35.851 49.050 9.364 -99.200 -91.000 PHE 126 1.000 -36.851 32.988 11.432 -99.200 -91.000 TYR 134 0.840 -32.094 22.609 15.843 -99.200 -91.000 TYR 140 0.840 -38.543 32.613 -4.495 -99.200 -91.000 HIS 142 0.900 -44.249 35.054 -7.744 -99.200 -91.000 TYR 147 0.840 -47.534 41.085 3.743 -99.200 -91.000 HIS 159 0.900 -52.521 25.385 6.801 -99.200 -91.000 TYR 162 0.840 -60.041 19.540 7.894 -99.200 -91.000 HIS 164 0.900 -50.400 21.380 3.607 -99.200 -91.000 PHE 173 1.000 -57.958 19.263 13.412 -99.200 -91.000 PHE 205 1.000 -40.809 15.092 10.887 -99.200 -91.000 TRP 216 1.040 -46.142 19.127 22.127 -99.200 -91.000 TRP6 216 1.020 -44.940 17.108 22.357 -99.200 -91.000 TRP 221 1.040 -46.388 37.820 12.852 -99.200 -91.000 TRP6 221 1.020 -46.608 39.754 14.193 -99.200 -91.000 PHE 230 1.000 -40.933 22.297 19.224 -99.200 -91.000 HIS 245 0.900 -36.754 20.096 18.299 -99.200 -91.000 HIS 250 0.900 -43.153 27.249 7.192 -99.200 -91.000 HIS 261 0.900 -40.385 37.724 -3.932 -99.200 -91.000 TYR 262 0.840 -44.208 29.936 2.142 -99.200 -91.000 PHE 263 1.000 -37.375 34.575 0.528 -99.200 -91.000 PHE 264 1.000 -40.052 26.428 0.479 -99.200 -91.000 PHE 270 1.000 -36.399 14.537 12.511 -99.200 -91.000 TRP 284 1.040 -44.006 19.665 4.673 -99.200 -91.000 TRP6 284 1.020 -46.266 19.133 5.132 -99.200 -91.000 TYR 306 0.840 -69.192 37.505 -5.426 -99.200 -91.000