============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 6 0.840 15.688 -27.644 -16.681 -99.200 -91.000 PHE 7 1.000 17.992 -34.939 -11.147 -99.200 -91.000 TRP 20 1.040 18.533 -19.626 4.872 -99.200 -91.000 TRP6 20 1.020 17.860 -17.704 6.063 -99.200 -91.000 PHE 21 1.000 19.482 -28.392 10.747 -99.200 -91.000 HIS 22 0.900 25.039 -26.399 8.793 -99.200 -91.000 PHE 27 1.000 21.135 -14.481 14.252 -99.200 -91.000 TRP 45 1.040 16.556 -35.999 -5.233 -99.200 -91.000 TRP6 45 1.020 15.709 -37.773 -3.934 -99.200 -91.000 PHE 48 1.000 13.452 -31.244 -11.567 -99.200 -91.000 TYR 52 0.840 18.474 -39.370 -15.556 -99.200 -91.000 TYR 54 0.840 8.068 -41.520 -19.111 -99.200 -91.000 TYR 58 0.840 8.476 -45.993 -20.771 -99.200 -91.000 TYR 59 0.840 11.914 -39.915 -23.942 -99.200 -91.000 PHE 60 1.000 20.064 -47.298 -21.382 -99.200 -91.000 TYR 67 0.840 28.360 -43.879 -18.614 -99.200 -91.000 HIS 68 0.900 29.036 -44.901 -23.457 -99.200 -91.000 PHE 73 1.000 32.129 -37.313 -17.585 -99.200 -91.000 PHE 75 1.000 26.121 -30.556 -17.448 -99.200 -91.000 TYR 91 0.840 21.394 -37.236 10.884 -99.200 -91.000 TRP 93 1.040 11.930 -33.004 9.773 -99.200 -91.000 TRP6 93 1.020 12.167 -32.002 7.651 -99.200 -91.000 TRP 103 1.040 25.964 -45.415 4.186 -99.200 -91.000 TRP6 103 1.020 28.316 -45.296 4.037 -99.200 -91.000 PHE 112 1.000 28.771 -40.484 -13.692 -99.200 -91.000 TRP 121 1.040 42.829 -40.422 -16.224 -99.200 -91.000 TRP6 121 1.020 43.738 -41.372 -14.275 -99.200 -91.000 PHE 126 1.000 38.729 -33.997 -21.608 -99.200 -91.000 HIS 132 0.900 32.584 -27.573 -22.197 -99.200 -91.000 PHE 135 1.000 37.099 -33.800 -15.124 -99.200 -91.000 TYR 136 0.840 36.136 -27.113 -11.423 -99.200 -91.000 PHE 144 1.000 35.709 -30.511 -2.186 -99.200 -91.000 TYR 155 0.840 29.788 -44.034 9.267 -99.200 -91.000 HIS 156 0.900 33.065 -36.611 12.457 -99.200 -91.000 TYR 160 0.840 39.219 -34.761 8.269 -99.200 -91.000 PHE 162 1.000 33.995 -41.008 -0.240 -99.200 -91.000 PHE 163 1.000 38.510 -31.326 2.533 -99.200 -91.000 TRP 170 1.040 39.655 -26.571 -6.921 -99.200 -91.000 TRP6 170 1.020 40.023 -25.567 -4.824 -99.200 -91.000 PHE 173 1.000 38.971 -29.920 -15.189 -99.200 -91.000 HIS 180 0.900 39.487 -25.193 -23.525 -99.200 -91.000 PHE 190 1.000 28.801 -26.025 -24.968 -99.200 -91.000 PHE 202 1.000 33.171 -18.918 -1.784 -99.200 -91.000 TYR 208 0.840 39.314 -28.027 6.979 -99.200 -91.000 HIS 213 0.900 34.069 -32.536 15.154 -99.200 -91.000 TRP 224 1.040 34.881 -18.105 3.157 -99.200 -91.000 TRP6 224 1.020 33.978 -16.416 4.541 -99.200 -91.000 TYR 226 0.840 41.644 -19.761 -6.393 -99.200 -91.000 PHE 228 1.000 34.417 -14.041 0.100 -99.200 -91.000 PHE 232 1.000 35.960 -9.775 -4.590 -99.200 -91.000 PHE 233 1.000 40.129 -13.036 -10.988 -99.200 -91.000 PHE 238 1.000 25.462 -12.527 -14.343 -99.200 -91.000 TRP 240 1.040 32.413 -13.464 -22.505 -99.200 -91.000 TRP6 240 1.020 32.946 -15.416 -21.336 -99.200 -91.000 TRP 251 1.040 18.120