============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. TRP 7 1.040 63.030 21.010 -21.131 -99.200 -91.000 TRP6 7 1.020 65.120 19.902 -21.207 -99.200 -91.000 PHE 13 1.000 77.209 32.721 -15.691 -99.200 -91.000 PHE 21 1.000 72.030 35.970 -21.038 -99.200 -91.000 PHE 38 1.000 66.185 19.908 -26.675 -99.200 -91.000 PHE 43 1.000 62.692 32.979 -18.879 -99.200 -91.000 HIS 67 0.900 75.940 28.968 -19.647 -99.200 -91.000 TYR 71 0.840 84.120 29.606 -10.107 -99.200 -91.000 TYR 72 0.840 78.945 31.997 -9.895 -99.200 -91.000 TYR 73 0.840 75.600 26.672 -7.613 -99.200 -91.000 TRP 74 1.040 84.388 26.454 -1.344 -99.200 -91.000 TRP6 74 1.020 86.071 24.836 -1.732 -99.200 -91.000 PHE 80 1.000 77.086 21.212 -6.208 -99.200 -91.000 PHE 88 1.000 98.057 27.697 -7.411 -99.200 -91.000 TRP 98 1.040 89.484 14.617 -15.443 -99.200 -91.000 TRP6 98 1.020 87.603 15.695 -14.468 -99.200 -91.000 HIS 99 0.900 85.376 19.151 -17.955 -99.200 -91.000 TYR 100 0.840 83.993 17.673 -23.827 -99.200 -91.000 HIS 101 0.900 87.759 12.184 -25.856 -99.200 -91.000 TYR 108 0.840 80.534 18.706 -11.810 -99.200 -91.000 PHE 111 1.000 78.816 16.515 -5.764 -99.200 -91.000 HIS 115 0.900 74.027 17.674 -4.670 -99.200 -91.000 PHE 120 1.000 75.542 16.082 -20.576 -99.200 -91.000 TRP 131 1.040 90.418 45.118 -12.925 -99.200 -91.000 TRP6 131 1.020 91.614 46.443 -14.488 -99.200 -91.000 PHE 132 1.000 95.161 43.022 -6.340 -99.200 -91.000 PHE 150 1.000 90.175 25.424 -3.048 -99.200 -91.000 TYR 170 0.840 84.525 53.502 -11.100 -99.200 -91.000 TRP 183 1.040 83.715 42.006 -13.748 -99.200 -91.000 TRP6 183 1.020 82.048 42.308 -12.094 -99.200 -91.000 TYR 187 0.840 84.150 40.958 -24.566 -99.200 -91.000 PHE 194 1.000 85.834 46.943 -11.679 -99.200 -91.000 PHE 195 1.000 90.315 52.091 -17.769 -99.200 -91.000 TYR 200 0.840 99.564 49.858 -9.520 -99.200 -91.000 TYR 201 0.840 93.233 43.278 -15.766 -99.200 -91.000 TYR 202 0.840 99.272 42.862 -8.928 -99.200 -91.000 TYR 203 0.840 100.415 39.025 -15.925 -99.200 -91.000 TRP 206 1.040 96.402 32.723 -7.439 -99.200 -91.000 TRP6 206 1.020 95.090 31.754 -5.710 -99.200 -91.000 TRP 207 1.040 90.356 33.115 -8.381 -99.200 -91.000 TRP6 207 1.020 92.028 34.783 -8.132 -99.200 -91.000 HIS 214 0.900 80.241 21.748 -15.623 -99.200 -91.000 PHE 215 1.000 74.746 25.381 -21.712 -99.200 -91.000 PHE 216 1.000 70.984 20.471 -19.914 -99.200 -91.000 TYR 221 0.840 70.414 13.712 -20.175 -99.200 -91.000 TYR 228 0.840 64.539 16.292 -29.771 -99.200 -91.000 HIS 237 0.900 82.507 17.626 -27.418 -99.200 -91.000 TYR 246 0.840 85.309 35.161 -22.364 -99.200 -91.000 TRP 248 1.040 87.694 37.578 -32.798 -99.200 -91.000 TRP6 248 1.020 89.312 37.564 -34.541 -99.200 -91.000 PHE 267 1.000 98.055 37.852 -8.259 -99.200 -91.000 PHE 276 1.000 101.558 24.106 -5.557 -99.200 -91.000 TYR 283 0.840 93.159 21.594 -4.199 -99.200 -91.000 PHE 292 1.000 87.819 18.600 -2.910 -99.200 -91.000 TRP 296 1.040 92.662 17.562 -5.587 -99.200 -91.000 TRP6 296 1.020 93.086 19.126 -7.328 -99.200 -91.000 PHE 302 1.000 95.133 14.884 -18.774 -99.200 -91.000 HIS 306 0.900 97.630 19.578 -20.043 -99.200 -91.000 TYR 307 0.840 99.735 22.157 -16.444 -99.200 -91.000 TRP 309 1.040 101.497 16.422 -24.902 -99.200 -91.000 TRP6 309 1.020 103.163 16.110 -26.561 -99.200 -91.000 TYR 315 0.840 106.576 26.787 -21.801 -99.200 -91.000 TYR 317 0.840 104.129 26.641 -33.464 -99.200 -91.000 PHE 320 1.000 110.872 30.557 -33.497 -99.200 -91.000