============================================================================= 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 13.562 18.216 15.836 -99.200 -91.000 TRP6 14 1.020 12.096 19.212 17.404 -99.200 -91.000 TRP 35 1.040 17.729 28.880 4.644 -99.200 -91.000 TRP6 35 1.020 19.549 28.718 3.142 -99.200 -91.000 HIS 41 0.900 29.870 12.262 7.185 -99.200 -91.000 PHE 43 1.000 25.130 16.975 1.153 -99.200 -91.000 TRP 49 1.040 26.947 18.184 -7.049 -99.200 -91.000 TRP6 49 1.020 27.170 18.511 -4.716 -99.200 -91.000 HIS 59 0.900 7.218 6.636 12.471 -99.200 -91.000 HIS 64 0.900 6.126 6.983 0.068 -99.200 -91.000 TYR 82 0.840 34.221 18.141 4.489 -99.200 -91.000 HIS 89 0.900 36.237 23.819 10.129 -99.200 -91.000 HIS 97 0.900 12.849 25.348 -6.772 -99.200 -91.000 HIS 105 0.900 2.348 13.904 12.250 -99.200 -91.000 PHE 116 1.000 19.944 29.101 25.296 -99.200 -91.000 PHE 123 1.000 29.023 23.944 30.610 -99.200 -91.000 PHE 126 1.000 21.527 11.514 30.021 -99.200 -91.000 TRP 132 1.040 14.105 6.891 9.044 -99.200 -91.000 TRP6 132 1.020 14.047 9.255 8.794 -99.200 -91.000 TYR 173 0.840 36.342 24.971 14.392 -99.200 -91.000 PHE 175 1.000 28.420 18.027 20.754 -99.200 -91.000 TYR 179 0.840 24.900 6.079 27.050 -99.200 -91.000 HIS 195 0.900 23.810 16.465 20.936 -99.200 -91.000 HIS 198 0.900 12.559 19.436 26.528 -99.200 -91.000 TYR 199 0.840 17.965 26.075 29.655 -99.200 -91.000 TRP 203 1.040 12.536 19.408 22.524 -99.200 -91.000 TRP6 203 1.020 13.861 17.611 23.279 -99.200 -91.000 TYR 204 0.840 16.785 26.391 22.484 -99.200 -91.000 TRP 211 1.040 34.485 12.512 13.879 -99.200 -91.000 TRP6 211 1.020 36.224 11.427 15.058 -99.200 -91.000 HIS 220 0.900 37.171 4.108 20.411 -99.200 -91.000 PHE 221 1.000 32.683 8.405 25.718 -99.200 -91.000 TYR 224 0.840 26.860 13.081 18.357 -99.200 -91.000 TYR 230 0.840 30.945 24.958 12.147 -99.200 -91.000 TRP 233 1.040 30.069 29.388 7.374 -99.200 -91.000 TRP6 233 1.020 28.889 27.429 6.769 -99.200 -91.000 PHE 252 1.000 34.090 28.403 10.506 -99.200 -91.000