============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 2 1.000 7.095 22.694 20.794 -99.200 -91.000 TYR 10 0.840 -1.740 19.120 17.613 -99.200 -91.000 PHE 17 1.000 4.267 27.578 20.928 -99.200 -91.000 HIS 24 0.900 19.593 38.191 20.101 -99.200 -91.000 HIS 26 0.900 24.129 33.841 20.342 -99.200 -91.000 TRP 28 1.040 25.698 37.830 12.441 -99.200 -91.000 TRP6 28 1.020 23.402 37.811 11.748 -99.200 -91.000 TYR 29 0.840 24.875 42.709 16.843 -99.200 -91.000 TRP 58 1.040 28.402 36.152 9.454 -99.200 -91.000 TRP6 58 1.020 26.626 35.092 8.358 -99.200 -91.000 HIS 85 0.900 20.761 34.232 9.106 -99.200 -91.000 TYR 102 0.840 26.337 24.612 14.690 -99.200 -91.000 TRP 103 1.040 21.047 21.897 12.633 -99.200 -91.000 TRP6 103 1.020 20.772 23.597 14.270 -99.200 -91.000 TRP 125 1.040 20.763 24.925 0.859 -99.200 -91.000 TRP6 125 1.020 19.489 23.243 -0.190 -99.200 -91.000 TYR 126 0.840 18.190 25.446 -4.888 -99.200 -91.000 TRP 129 1.040 12.168 32.583 -6.576 -99.200 -91.000 TRP6 129 1.020 10.338 33.851 -7.342 -99.200 -91.000 TRP 134 1.040 13.238 24.015 -0.345 -99.200 -91.000 TRP6 134 1.020 11.105 22.984 -0.047 -99.200 -91.000 TYR 138 0.840 15.652 21.653 3.517 -99.200 -91.000 HIS 152 0.900 15.584 18.258 19.271 -99.200 -91.000 TRP 161 1.040 17.759 34.519 -1.666 -99.200 -91.000 TRP6 161 1.020 19.731 35.399 -0.712 -99.200 -91.000 TYR 164 0.840 9.300 29.174 -6.312 -99.200 -91.000 HIS 169 0.900 0.170 24.148 -3.684 -99.200 -91.000 TYR 171 0.840 8.736 19.587 -6.242 -99.200 -91.000 PHE 176 1.000 4.851 15.371 7.667 -99.200 -91.000 PHE 186 1.000 7.486 21.743 4.975 -99.200 -91.000 HIS 189 0.900 12.765 33.332 6.345 -99.200 -91.000 TYR 191 0.840 12.007 39.921 5.057 -99.200 -91.000 TYR 193 0.840 10.855 39.205 -5.291 -99.200 -91.000 PHE 220 1.000 6.057 39.399 10.640 -99.200 -91.000 HIS 222 0.900 8.893 48.300 8.863 -99.200 -91.000 HIS 224 0.900 13.644 50.914 3.879 -99.200 -91.000 TYR 235 0.840 -5.570 34.203 5.738 -99.200 -91.000 TRP 243 1.040 2.572 36.712 13.823 -99.200 -91.000 TRP6 243 1.020 3.671 38.177 15.370 -99.200 -91.000 TRP 246 1.040 15.530 40.326 10.349 -99.200 -91.000 TRP6 246 1.020 16.865 38.398 10.829 -99.200 -91.000 TRP 248 1.040 15.737 42.712 21.079 -99.200 -91.000 TRP6 248 1.020 13.634 43.494 21.783 -99.200 -91.000 TRP 255 1.040 19.659 44.574 4.963 -99.200 -91.000 TRP6 255 1.020 17.943 44.234 3.377 -99.200 -91.000 TYR 257 0.840 13.836 48.122 6.193 -99.200 -91.000 TRP 264 1.040 22.075 45.279 22.106 -99.200 -91.000 TRP6 264 1.020 21.488 43.671 20.473 -99.200 -91.000 HIS 268 0.900 14.101 54.057 26.002 -99.200 -91.000 TRP 272 1.040 9.948 45.984 12.569 -99.200 -91.000 TRP6 272 1.020 8.104 44.797 11.663 -99.200 -91.000 HIS 278 0.900 3.217 47.585 23.797 -99.200 -91.000 PHE 293 1.000 8.341 27.213 28.416 -99.200 -91.000