============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 2 0.840 -12.990 -30.294 9.461 -99.200 -91.000 PHE 4 1.000 -8.783 -20.544 12.400 -99.200 -91.000 PHE 12 1.000 2.171 -1.786 3.980 -99.200 -91.000 TRP 17 1.040 -4.316 4.235 -0.844 -99.200 -91.000 TRP6 17 1.020 -4.229 1.894 -1.248 -99.200 -91.000 TRP 25 1.040 -10.671 -18.911 3.510 -99.200 -91.000 TRP6 25 1.020 -12.634 -19.200 2.192 -99.200 -91.000 HIS 32 0.900 -13.708 -15.593 12.395 -99.200 -91.000 TRP 34 1.040 -10.501 -6.286 11.044 -99.200 -91.000 TRP6 34 1.020 -8.512 -6.281 12.392 -99.200 -91.000 PHE 43 1.000 -18.206 -12.816 15.489 -99.200 -91.000 TRP 47 1.040 -20.759 -22.091 12.511 -99.200 -91.000 TRP6 47 1.020 -18.552 -22.448 11.700 -99.200 -91.000 TRP 57 1.040 -14.740 -11.650 19.123 -99.200 -91.000 TRP6 57 1.020 -13.488 -13.057 17.671 -99.200 -91.000 HIS 62 0.900 -6.771 -4.091 23.293 -99.200 -91.000 PHE 64 1.000 -5.562 -11.674 15.909 -99.200 -91.000 TYR 67 0.840 -0.684 -8.209 13.206 -99.200 -91.000 PHE 71 1.000 1.990 -6.076 8.550 -99.200 -91.000 TYR 88 0.840 5.571 2.597 0.339 -99.200 -91.000 TYR 101 0.840 -2.047 -32.968 11.276 -99.200 -91.000 PHE 109 1.000 -0.862 -22.739 8.704 -99.200 -91.000 HIS 111 0.900 4.745 -21.102 6.183 -99.200 -91.000 PHE 114 1.000 9.053 -7.300 -0.406 -99.200 -91.000 TYR 118 0.840 7.768 -19.654 3.025 -99.200 -91.000 PHE 122 1.000 7.512 -17.332 16.127 -99.200 -91.000 TRP 123 1.040 10.310 -24.567 12.611 -99.200 -91.000 TRP6 123 1.020 8.254 -25.718 12.200 -99.200 -91.000 TRP 127 1.040 9.030 -13.094 14.275 -99.200 -91.000 TRP6 127 1.020 7.005 -13.191 13.018 -99.200 -91.000 TRP 136 1.040 15.536 -6.327 1.091 -99.200 -91.000 TRP6 136 1.020 13.670 -5.581 2.318 -99.200 -91.000 PHE 165 1.000 -11.689 -19.041 17.321 -99.200 -91.000 TRP 186 1.040 -25.210 -28.836 -17.228 -99.200 -91.000 TRP6 186 1.020 -24.778 -28.004 -15.057 -99.200 -91.000 HIS 190 0.900 -11.815 -35.378 -31.253 -99.200 -91.000 HIS 196 0.900 -20.999 -28.885 -18.205 -99.200 -91.000 PHE 200 1.000 -19.028 -31.603 -6.118 -99.200 -91.000 TYR 201 0.840 -19.307 -28.458 2.111 -99.200 -91.000 TRP 206 1.040 -15.238 -42.412 -8.967 -99.200 -91.000 TRP6 206 1.020 -16.891 -43.450 -10.299 -99.200 -91.000 TRP 209 1.040 -17.780 -38.551 -19.482 -99.200 -91.000 TRP6 209 1.020 -19.867 -38.365 -20.598 -99.200 -91.000 HIS 220 0.900 -8.707 -33.097 -17.710 -99.200 -91.000 PHE 224 1.000 -12.906 -31.214 -6.918 -99.200 -91.000 TRP 232 1.040 -16.381 -27.605 -3.022 -99.200 -91.000 TRP6 232 1.020 -14.635 -26.161 -3.708 -99.200 -91.000 TYR 233 0.840 -19.399 -26.270 -12.971 -99.200 -91.000 HIS 254 0.900 -21.307 -35.334 -2.582 -99.200 -91.000 TYR 265 0.840 -28.223 -44.585 -18.733 -99.200 -91.000 TRP 266 1.040 -24.479 -38.306 -26.189 -99.200 -91.000 TRP6 266 1.020 -23.786 -36.098 -25.708 -99.200 -91.000