============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 12 1.000 78.065 54.996 -17.908 -99.200 -91.000 HIS 18 0.900 61.815 64.393 -22.110 -99.200 -91.000 TYR 22 0.840 66.815 48.928 -17.326 -99.200 -91.000 HIS 28 0.900 80.435 46.710 -26.442 -99.200 -91.000 PHE 38 1.000 73.967 57.819 -29.444 -99.200 -91.000 PHE 39 1.000 73.583 47.465 -32.815 -99.200 -91.000 TYR 44 0.840 76.404 49.723 -36.101 -99.200 -91.000 HIS 49 0.900 74.498 68.073 -39.673 -99.200 -91.000 PHE 51 1.000 72.323 59.853 -39.491 -99.200 -91.000 HIS 54 0.900 61.019 66.114 -29.828 -99.200 -91.000 HIS 57 0.900 59.542 70.282 -24.221 -99.200 -91.000 PHE 63 1.000 69.917 55.544 -41.277 -99.200 -91.000 HIS 73 0.900 71.817 65.844 -19.967 -99.200 -91.000 HIS 79 0.900 82.408 68.689 -28.458 -99.200 -91.000 TRP 103 1.040 79.888 62.961 -10.440 -99.200 -91.000 TRP6 103 1.020 82.000 64.008 -10.659 -99.200 -91.000 PHE 105 1.000 75.857 59.289 -19.106 -99.200 -91.000 TYR 106 0.840 84.619 64.724 -16.620 -99.200 -91.000 TYR 122 0.840 90.952 68.755 -32.432 -99.200 -91.000 PHE 123 1.000 82.534 72.088 -38.232 -99.200 -91.000 TYR 150 0.840 72.301 79.517 -22.093 -99.200 -91.000 PHE 154 1.000 67.644 81.301 -16.596 -99.200 -91.000 PHE 157 1.000 65.270 81.285 -7.903 -99.200 -91.000 PHE 163 1.000 80.335 78.498 -15.802 -99.200 -91.000 PHE 165 1.000 84.441 74.041 -21.339 -99.200 -91.000 PHE 179 1.000 67.453 75.189 -16.312 -99.200 -91.000 PHE 181 1.000 62.655 78.234 -15.343 -99.200 -91.000 TRP 183 1.040 57.054 78.857 -16.290 -99.200 -91.000 TRP6 183 1.020 58.414 80.014 -14.736 -99.200 -91.000 HIS 187 0.900 54.144 72.131 -23.944 -99.200 -91.000 TYR 211 0.840 58.469 73.767 -6.465 -99.200 -91.000 TYR 218 0.840 78.202 73.992 -9.532 -99.200 -91.000 HIS 225 0.900 71.865 70.522 -17.776 -99.200 -91.000 PHE 228 1.000 76.758 68.062 -19.624 -99.200 -91.000 TYR 235 0.840 81.805 64.639 -30.159 -99.200 -91.000 PHE 245 1.000 80.776 77.210 -30.933 -99.200 -91.000 TYR 246 0.840 76.474 85.898 -25.906 -99.200 -91.000 PHE 248 1.000 69.746 87.097 -24.506 -99.200 -91.000 HIS 252 0.900 68.845 70.258 -25.835 -99.200 -91.000