============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 13.431 18.252 15.764 -99.200 -91.000 TRP6 14 1.020 11.971 19.228 17.357 -99.200 -91.000 TRP 35 1.040 17.444 28.952 4.789 -99.200 -91.000 TRP6 35 1.020 19.259 28.903 3.270 -99.200 -91.000 HIS 41 0.900 29.713 12.313 7.039 -99.200 -91.000 PHE 43 1.000 24.863 17.040 1.127 -99.200 -91.000 TRP 49 1.040 26.435 18.357 -7.106 -99.200 -91.000 TRP6 49 1.020 26.521 18.377 -4.741 -99.200 -91.000 HIS 59 0.900 7.329 6.680 12.695 -99.200 -91.000 HIS 64 0.900 5.843 6.846 0.109 -99.200 -91.000 TYR 82 0.840 33.862 18.155 4.184 -99.200 -91.000 HIS 89 0.900 36.003 23.650 9.987 -99.200 -91.000 HIS 97 0.900 12.617 25.571 -6.843 -99.200 -91.000 HIS 105 0.900 1.822 14.199 12.134 -99.200 -91.000 PHE 116 1.000 19.759 29.145 25.276 -99.200 -91.000 PHE 123 1.000 28.707 24.306 30.521 -99.200 -91.000 PHE 126 1.000 21.527 11.545 29.974 -99.200 -91.000 TRP 132 1.040 13.909 6.894 9.088 -99.200 -91.000 TRP6 132 1.020 13.839 9.251 8.922 -99.200 -91.000 TYR 173 0.840 36.148 24.982 14.178 -99.200 -91.000 PHE 175 1.000 28.243 17.945 20.808 -99.200 -91.000 TYR 179 0.840 24.847 6.201 27.243 -99.200 -91.000 HIS 195 0.900 23.720 16.582 20.970 -99.200 -91.000 HIS 198 0.900 12.530 19.826 26.445 -99.200 -91.000 TYR 199 0.840 17.857 26.161 29.644 -99.200 -91.000 TRP 203 1.040 12.394 19.383 22.615 -99.200 -91.000 TRP6 203 1.020 13.796 17.646 23.423 -99.200 -91.000 TYR 204 0.840 16.551 26.481 22.452 -99.200 -91.000 TRP 211 1.040 34.153 12.593 13.781 -99.200 -91.000 TRP6 211 1.020 35.900 11.513 14.954 -99.200 -91.000 HIS 220 0.900 37.149 3.810 20.462 -99.200 -91.000 PHE 221 1.000 32.531 8.565 25.735 -99.200 -91.000 TYR 224 0.840 26.664 13.054 18.351 -99.200 -91.000 TYR 230 0.840 30.763 24.908 12.077 -99.200 -91.000 TRP 233 1.040 29.903 29.503 7.174 -99.200 -91.000 TRP6 233 1.020 28.688 27.549 6.624 -99.200 -91.000 PHE 252 1.000 33.940 28.291 10.153 -99.200 -91.000