============================================================================= 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 5 0.900 55.038 92.925 2.721 -99.200 -91.000 PHE 6 1.000 47.492 96.636 0.652 -99.200 -91.000 PHE 11 1.000 47.167 99.567 -14.553 -99.200 -91.000 PHE 13 1.000 42.398 101.180 -19.692 -99.200 -91.000 PHE 47 1.000 43.125 92.809 -13.465 -99.200 -91.000 PHE 52 1.000 26.987 101.684 -12.395 -99.200 -91.000 PHE 65 1.000 43.037 95.200 0.110 -99.200 -91.000 HIS 67 0.900 40.183 101.956 8.950 -99.200 -91.000 TRP 70 1.040 47.328 93.875 4.993 -99.200 -91.000 TRP6 70 1.020 47.777 91.986 3.598 -99.200 -91.000 HIS 83 0.900 38.413 75.660 1.034 -99.200 -91.000 TYR 90 0.840 35.095 94.927 2.114 -99.200 -91.000 PHE 94 1.000 38.817 97.963 -1.549 -99.200 -91.000 HIS 95 0.900 32.101 89.957 -2.242 -99.200 -91.000 TRP 103 1.040 38.521 81.075 -4.820 -99.200 -91.000 TRP6 103 1.020 38.443 78.751 -4.489 -99.200 -91.000 HIS 115 0.900 41.032 74.345 -15.976 -99.200 -91.000 TYR 128 0.840 27.284 85.815 -24.644 -99.200 -91.000 PHE 134 1.000 20.569 101.950 -26.171 -99.200 -91.000 HIS 135 0.900 24.774 104.866 -25.267 -99.200 -91.000 PHE 141 1.000 24.860 96.065 -34.335 -99.200 -91.000 PHE 145 1.000 27.572 92.499 -32.593 -99.200 -91.000 HIS 147 0.900 37.827 91.278 -35.634 -99.200 -91.000 TYR 153 0.840 33.828 85.455 -30.528 -99.200 -91.000 PHE 156 1.000 27.777 86.470 -34.009 -99.200 -91.000 HIS 162 0.900 18.068 102.639 -29.246 -99.200 -91.000 PHE 165 1.000 10.010 96.396 -30.703 -99.200 -91.000 TRP 193 1.040 11.742 96.660 -23.632 -99.200 -91.000 TRP6 193 1.020 12.394 94.667 -24.753 -99.200 -91.000 HIS 210 0.900 15.055 89.700 -36.544 -99.200 -91.000 TRP 214 1.040 20.874 85.050 -22.943 -99.200 -91.000 TRP6 214 1.020 22.604 83.440 -22.835 -99.200 -91.000 HIS 222 0.900 15.210 94.287 -6.608 -99.200 -91.000 HIS 224 0.900 11.673 88.544 -7.063 -99.200 -91.000 HIS 232 0.900 4.985 80.785 -14.837 -99.200 -91.000 TRP 236 1.040 9.212 83.294 -28.385 -99.200 -91.000 TRP6 236 1.020 7.046 83.702 -27.503 -99.200 -91.000 TYR 244 0.840 22.171 96.356 -13.218 -99.200 -91.000 HIS 257 0.900 10.181 78.357 -7.740 -99.200 -91.000 HIS 265 0.900 28.798 90.372 -14.393 -99.200 -91.000 TRP 276 1.040 25.570 72.455 -3.840 -99.200 -91.000 TRP6 276 1.020 24.413 73.552 -2.085 -99.200 -91.000 PHE 291 1.000 39.802 94.605 -16.136 -99.200 -91.000 HIS 297 0.900 41.036 79.605 -14.892 -99.200 -91.000 TRP 307 1.040 25.798 79.714 -24.691 -99.200 -91.000 TRP6 307 1.020 26.873 79.967 -26.802 -99.200 -91.000 TYR 310 0.840 36.640 89.010 -25.886 -99.200 -91.000 PHE 312 1.000 34.779 90.824 -29.885 -99.200 -91.000 PHE 315 1.000 38.861 95.984 -20.085 -99.200 -91.000 HIS 317 0.900 46.214 97.976 -22.081 -99.200 -91.000 TYR 329 0.840 34.060 75.506 -28.400 -99.200 -91.000 TYR 331 0.840 40.278 76.285 -26.262 -99.200 -91.000 HIS 338 0.900 43.934 85.071 -12.284 -99.200 -91.000 TRP 350 1.040 49.292 101.593 -20.948 -99.200 -91.000 TRP6 350 1.020 48.199 103.315 -22.171 -99.200 -91.000