============================================================================= 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 11 1.000 -17.796 -1.376 38.617 -99.200 -91.000 TRP 15 1.040 -20.153 6.063 36.629 -99.200 -91.000 TRP6 15 1.020 -22.284 5.120 36.250 -99.200 -91.000 TYR 25 0.840 -11.896 17.311 32.336 -99.200 -91.000 HIS 42 0.900 -18.892 -0.631 27.673 -99.200 -91.000 HIS 52 0.900 -16.609 17.536 23.203 -99.200 -91.000 TRP 56 1.040 -6.378 7.776 21.442 -99.200 -91.000 TRP6 56 1.020 -4.748 8.689 20.013 -99.200 -91.000 PHE 66 1.000 -1.244 2.380 27.805 -99.200 -91.000 PHE 77 1.000 -8.427 11.251 35.285 -99.200 -91.000 HIS 78 0.900 -2.245 2.583 34.401 -99.200 -91.000 PHE 117 1.000 -1.568 2.787 39.923 -99.200 -91.000 HIS 129 0.900 -3.875 -7.635 64.453 -99.200 -91.000 TYR 134 0.840 -5.446 -1.938 57.623 -99.200 -91.000 TRP 139 1.040 2.813 1.705 51.651 -99.200 -91.000 TRP6 139 1.020 2.337 1.674 49.338 -99.200 -91.000 PHE 144 1.000 -0.743 -12.859 55.224 -99.200 -91.000 TRP 153 1.040 -0.615 -15.408 44.791 -99.200 -91.000 TRP6 153 1.020 1.472 -14.747 43.902 -99.200 -91.000 TYR 155 0.840 -5.444 -10.380 39.931 -99.200 -91.000 PHE 156 1.000 -4.990 -9.271 47.524 -99.200 -91.000 TRP 167 1.040 3.283 6.706 45.587 -99.200 -91.000 TRP6 167 1.020 2.650 8.948 45.245 -99.200 -91.000 TYR 169 0.840 9.843 7.575 35.918 -99.200 -91.000 PHE 177 1.000 1.739 8.192 40.751 -99.200 -91.000 PHE 189 1.000 -23.066 -3.354 35.544 -99.200 -91.000 HIS 211 0.900 -15.720 -13.731 44.040 -99.200 -91.000 TYR 212 0.840 -19.799 -16.181 51.027 -99.200 -91.000 PHE 220 1.000 -18.877 -3.331 51.279 -99.200 -91.000 HIS 222 0.900 -22.832 4.750 43.649 -99.200 -91.000 HIS 230 0.900 -10.542 7.443 40.091 -99.200 -91.000 TYR 232 0.840 -12.171 17.422 45.742 -99.200 -91.000 PHE 234 1.000 -6.754 16.487 35.688 -99.200 -91.000 TYR 243 0.840 -5.717 12.661 48.567 -99.200 -91.000 HIS 248 0.900 -21.545 3.722 53.299 -99.200 -91.000 TYR 263 0.840 -32.156 -6.506 46.415 -99.200 -91.000 TYR 266 0.840 -31.893 -11.976 44.124 -99.200 -91.000 PHE 272 1.000 -22.699 -14.956 55.163 -99.200 -91.000 PHE 284 1.000 -8.831 -0.229 53.392 -99.200 -91.000 PHE 294 1.000 -15.305 12.870 47.033 -99.200 -91.000 PHE 296 1.000 -16.553 9.271 50.353 -99.200 -91.000 TYR 298 0.840 -24.218 8.148 44.580 -99.200 -91.000 PHE 304 1.000 -23.666 -4.108 48.246 -99.200 -91.000 HIS 321 0.900 -31.051 -16.721 44.303 -99.200 -91.000