============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 -31.293 57.091 39.992 -99.200 -91.000 PHE 31 1.000 -33.525 54.749 21.504 -99.200 -91.000 TYR 32 0.840 -33.821 54.595 26.624 -99.200 -91.000 HIS 39 0.900 -27.699 43.592 30.348 -99.200 -91.000 TYR 42 0.840 -39.957 45.939 39.928 -99.200 -91.000 TYR 49 0.840 -37.063 51.127 38.895 -99.200 -91.000 PHE 53 1.000 -21.480 42.618 29.862 -99.200 -91.000 PHE 56 1.000 -21.323 48.381 42.979 -99.200 -91.000 HIS 58 0.900 -33.003 48.235 41.251 -99.200 -91.000 HIS 59 0.900 -32.180 52.632 39.634 -99.200 -91.000 PHE 76 1.000 -24.555 64.334 39.883 -99.200 -91.000 TYR 90 0.840 -22.898 72.680 49.047 -99.200 -91.000 TYR 91 0.840 -27.654 71.131 46.401 -99.200 -91.000 PHE 105 1.000 -37.237 61.747 46.421 -99.200 -91.000 PHE 121 1.000 -30.065 71.723 34.767 -99.200 -91.000 TYR 123 0.840 -27.268 68.452 40.039 -99.200 -91.000 PHE 125 1.000 -26.477 65.704 45.563 -99.200 -91.000 PHE 126 1.000 -27.883 56.719 44.736 -99.200 -91.000 PHE 127 1.000 -23.351 54.148 51.146 -99.200 -91.000 HIS 131 0.900 -24.105 46.560 46.651 -99.200 -91.000 HIS 136 0.900 -17.356 41.680 36.347 -99.200 -91.000 TYR 139 0.840 -16.958 38.663 28.435 -99.200 -91.000 TYR 142 0.840 -19.665 42.639 25.052 -99.200 -91.000 HIS 152 0.900 -20.732 62.248 29.300 -99.200 -91.000 PHE 153 1.000 -26.444 62.237 35.167 -99.200 -91.000 TYR 166 0.840 -24.598 74.230 41.853 -99.200 -91.000 PHE 172 1.000 -19.877 67.477 40.142 -99.200 -91.000 TYR 186 0.840 -18.939 80.637 22.918 -99.200 -91.000 TRP 189 1.040 -17.036 68.352 28.419 -99.200 -91.000 TRP6 189 1.020 -17.011 70.287 27.057 -99.200 -91.000 HIS 191 0.900 -12.411 64.581 37.691 -99.200 -91.000 HIS 197 0.900 -17.906 64.546 30.324 -99.200 -91.000 HIS 210 0.900 -26.837 68.580 24.195 -99.200 -91.000 HIS 211 0.900 -24.853 64.745 25.970 -99.200 -91.000 PHE 214 1.000 -26.612 54.650 29.642 -99.200 -91.000 HIS 217 0.900 -16.241 46.283 27.645 -99.200 -91.000 HIS 220 0.900 -15.616 46.241 18.446 -99.200 -91.000 HIS 245 0.900 -17.367 64.225 21.656 -99.200 -91.000 PHE 251 1.000 -15.725 56.087 17.221 -99.200 -91.000 TYR 252 0.840 -18.820 62.571 18.480 -99.200 -91.000 TYR 254 0.840 -23.449 63.683 20.994 -99.200 -91.000 HIS 261 0.900 -36.431 62.320 27.413 -99.200 -91.000 TYR 266 0.840 -17.277 59.991 26.774 -99.200 -91.000 TYR 270 0.840 -8.229 63.667 29.148 -99.200 -91.000 TYR 271 0.840 -5.858 59.321 36.657 -99.200 -91.000 TRP 282 1.040 -10.412 71.737 23.242 -99.200 -91.000 TRP6 282 1.020 -9.568 70.590 21.350 -99.200 -91.000 HIS 285 0.900 -15.034 81.892 16.218 -99.200 -91.000 TRP 292 1.040 -8.634 64.698 16.489 -99.200 -91.000 TRP6 292 1.020 -7.477 66.591 17.347 -99.200 -91.000 TRP 293 1.040 -11.996 62.010 13.202 -99.200 -91.000 TRP6 293 1.020 -13.615 60.285 13.280 -99.200 -91.000 TRP 301 1.040 -24.928 67.567 20.032 -99.200 -91.000 TRP6 301 1.020 -23.600 68.933 21.408 -99.200 -91.000 TYR 302 0.840