============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 7 0.840 7.693 24.077 -0.213 -99.200 -91.000 HIS 8 0.900 2.049 15.691 -2.410 -99.200 -91.000 TRP 34 1.040 3.031 5.216 -4.829 -99.200 -91.000 TRP6 34 1.020 4.425 3.307 -5.015 -99.200 -91.000 PHE 36 1.000 -0.978 14.007 -5.755 -99.200 -91.000 TRP 43 1.040 1.329 8.945 6.907 -99.200 -91.000 TRP6 43 1.020 2.282 9.663 8.946 -99.200 -91.000 HIS 44 0.900 6.111 5.957 2.963 -99.200 -91.000 TRP 47 1.040 10.029 15.078 -0.808 -99.200 -91.000 TRP6 47 1.020 11.959 13.718 -0.586 -99.200 -91.000 PHE 59 1.000 15.613 26.415 -1.385 -99.200 -91.000 PHE 65 1.000 7.967 7.201 7.865 -99.200 -91.000 TYR 69 0.840 19.082 15.852 4.739 -99.200 -91.000 TYR 73 0.840 25.127 5.621 -6.484 -99.200 -91.000 TRP 86 1.040 23.938 8.280 0.941 -99.200 -91.000 TRP6 86 1.020 24.163 6.586 -0.703 -99.200 -91.000 PHE 91 1.000 21.104 24.713 7.836 -99.200 -91.000 HIS 96 0.900 27.795 13.428 -4.609 -99.200 -91.000 TRP 99 1.040 18.810 18.196 -4.375 -99.200 -91.000 TRP6 99 1.020 19.029 16.970 -6.401 -99.200 -91.000 TYR 110 0.840 9.279 26.777 -7.356 -99.200 -91.000 TYR 115 0.840 26.022 24.742 -5.726 -99.200 -91.000 PHE 120 1.000 17.717 21.704 -14.961 -99.200 -91.000 TRP 137 1.040 17.340 12.906 -19.312 -99.200 -91.000 TRP6 137 1.020 16.826 10.588 -19.173 -99.200 -91.000 TRP 141 1.040 18.253 26.715 -14.637 -99.200 -91.000 TRP6 141 1.020 16.933 26.114 -12.759 -99.200 -91.000 HIS 147 0.900 9.047 13.462 -20.005 -99.200 -91.000 TRP 150 1.040 9.915 17.940 -10.761 -99.200 -91.000 TRP6 150 1.020 8.938 15.793 -10.442 -99.200 -91.000 TYR 151 0.840 2.157 22.627 -11.200 -99.200 -91.000 PHE 152 1.000 9.628 22.221 -5.092 -99.200 -91.000 HIS 171 0.900 -15.933 34.746 15.683 -99.200 -91.000 HIS 173 0.900 -11.452 40.850 25.091 -99.200 -91.000 TYR 176 0.840 -4.336 37.010 20.179 -99.200 -91.000 TYR 179 0.840 2.041 35.352 25.448 -99.200 -91.000 TYR 185 0.840 4.092 26.475 14.263 -99.200 -91.000 PHE 193 1.000 -6.158 19.705 15.393 -99.200 -91.000 TRP 197 1.040 -10.559 14.994 20.609 -99.200 -91.000 TRP6 197 1.020 -12.622 13.883 20.208 -99.200 -91.000 TRP 207 1.040 -15.812 20.659 32.107 -99.200 -91.000 TRP6 207 1.020 -16.785 21.386 34.152 -99.200 -91.000 TYR 212 0.840 -8.451 16.032 32.100 -99.200 -91.000 PHE 216 1.000 -11.976 17.469 28.472 -99.200 -91.000 TRP 227 1.040 0.415 11.985 14.874 -99.200 -91.000 TRP6 227 1.020 0.944 13.563 13.172 -99.200 -91.000 TRP 232 1.040 5.719 13.896 10.954 -99.200 -91.000 TRP6 232 1.020 5.147 13.126 8.776 -99.200 -91.000 PHE 237 1.000 8.641 18.590 10.917 -99.200 -91.000 PHE 240 1.000 -1.322 26.496 14.034 -99.200 -91.000 HIS 255 0.900 -14.824 26.381 26.259 -99.200 -91.000 TYR 257 0.840 -11.382 28.823 22.424 -99.200 -91.000 PHE 259 1.000 -4.997 28.878 17.263 -99.200 -91.000 HIS 265 0.900 -1.266 26.057 4.388 -99.200 -91.000 PHE 270 1.000 -12.031 30.226 16.816 -99.200 -91.000 PHE 271 1.000 -10.395 19.369 17.989 -99.200 -91.000 TYR 278 0.840 -12.017 19.814 13.231 -99.200 -91.000 TYR 284 0.840 -16.808 30.722 25.376 -99.200 -91.000 TYR 287 0.840 -8.546 35.368 28.229 -99.200 -91.000 PHE 290 1.000 -0.525 27.441 25.316 -99.200 -91.000 TYR 291 0.840 0.461 31.021 17.301 -99.200 -91.000