============================================================================= 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 21.155 0.429 10.628 -99.200 -91.000 TRP6 14 1.020 18.882 0.448 10.056 -99.200 -91.000 TRP 35 1.040 23.704 14.102 17.982 -99.200 -91.000 TRP6 35 1.020 25.586 14.776 19.192 -99.200 -91.000 HIS 41 0.900 38.195 -0.266 20.309 -99.200 -91.000 PHE 43 1.000 36.764 8.103 17.637 -99.200 -91.000 TRP 49 1.040 42.536 14.462 18.517 -99.200 -91.000 TRP6 49 1.020 40.826 12.928 19.118 -99.200 -91.000 HIS 59 0.900 26.935 -2.858 -1.132 -99.200 -91.000 HIS 64 0.900 30.924 7.609 -5.831 -99.200 -91.000 TYR 82 0.840 38.423 4.367 26.470 -99.200 -91.000 HIS 89 0.900 32.306 2.701 31.544 -99.200 -91.000 HIS 97 0.900 31.524 21.845 10.025 -99.200 -91.000 HIS 105 0.900 19.961 2.882 -1.662 -99.200 -91.000 PHE 116 1.000 11.789 -1.476 22.971 -99.200 -91.000 PHE 123 1.000 14.788 -10.628 29.325 -99.200 -91.000 PHE 126 1.000 20.124 -16.530 16.395 -99.200 -91.000 TRP 132 1.040 32.538 -1.893 4.195 -99.200 -91.000 TRP6 132 1.020 31.298 -0.172 5.230 -99.200 -91.000 TYR 173 0.840 29.110 -0.054 33.238 -99.200 -91.000 PHE 175 1.000 25.431 -7.434 23.888 -99.200 -91.000 TYR 179 0.840 26.446 -18.514 15.543 -99.200 -91.000 HIS 195 0.900 24.123 -7.034 19.132 -99.200 -91.000 HIS 198 0.900 12.555 -6.279 12.616 -99.200 -91.000 TYR 199 0.840 9.801 -6.103 20.545 -99.200 -91.000 TRP 203 1.040 15.893 -3.804 11.432 -99.200 -91.000 TRP6 203 1.020 16.877 -5.872 12.013 -99.200 -91.000 TYR 204 0.840 13.285 -0.439 18.435 -99.200 -91.000 TRP 211 1.040 36.335 -6.277 24.754 -99.200 -91.000 TRP6 211 1.020 37.071 -8.196 25.893 -99.200 -91.000 HIS 220 0.900 38.668 -17.222 24.098 -99.200 -91.000 PHE 221 1.000 30.230 -17.338 23.220 -99.200 -91.000 TYR 224 0.840 29.144 -7.940 19.423 -99.200 -91.000 TYR 230 0.840 28.070 2.866 28.046 -99.200 -91.000 TRP 233 1.040 27.811 9.957 28.922 -99.200 -91.000 TRP6 233 1.020 28.886 9.391 26.906 -99.200 -91.000 PHE 252 1.000 28.836 6.319 32.231 -99.200 -91.000