============================================================================= 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 21.795 23.594 18.422 -99.200 -91.000 TRP6 14 1.020 23.150 21.654 18.465 -99.200 -91.000 TRP 35 1.040 13.143 23.551 5.063 -99.200 -91.000 TRP6 35 1.020 11.234 24.859 4.582 -99.200 -91.000 HIS 41 0.900 6.308 35.359 20.664 -99.200 -91.000 PHE 43 1.000 8.674 35.405 12.230 -99.200 -91.000 TRP 49 1.040 5.689 39.721 5.897 -99.200 -91.000 TRP6 49 1.020 5.598 38.349 7.821 -99.200 -91.000 HIS 59 0.900 30.346 33.586 21.191 -99.200 -91.000 HIS 64 0.900 32.088 39.289 9.765 -99.200 -91.000 TYR 82 0.840 0.437 33.132 16.467 -99.200 -91.000 HIS 89 0.900 -2.211 25.422 18.017 -99.200 -91.000 HIS 97 0.900 16.619 34.149 -2.276 -99.200 -91.000 HIS 105 0.900 33.124 28.220 14.600 -99.200 -91.000 PHE 116 1.000 14.510 9.915 20.315 -99.200 -91.000 PHE 123 1.000 8.228 10.118 29.708 -99.200 -91.000 PHE 126 1.000 18.240 19.695 35.359 -99.200 -91.000 TRP 132 1.040 23.316 36.569 20.736 -99.200 -91.000 TRP6 132 1.020 22.749 34.926 19.127 -99.200 -91.000 TYR 173 0.840 -1.851 21.743 20.205 -99.200 -91.000 PHE 175 1.000 8.525 21.896 26.846 -99.200 -91.000 TYR 179 0.840 16.051 25.941 37.939 -99.200 -91.000 HIS 195 0.900 13.353 22.543 26.206 -99.200 -91.000 HIS 198 0.900 23.365 14.097 25.488 -99.200 -91.000 TYR 199 0.840 17.820 8.654 24.621 -99.200 -91.000 TRP 203 1.040 23.405 18.127 22.471 -99.200 -91.000 TRP6 203 1.020 22.674 18.991 24.548 -99.200 -91.000 TYR 204 0.840 17.691 13.518 19.031 -99.200 -91.000 TRP 211 1.040 3.336 31.461 26.934 -99.200 -91.000 TRP6 211 1.020 2.208 31.654 29.006 -99.200 -91.000 HIS 220 0.900 4.146 33.561 37.822 -99.200 -91.000 PHE 221 1.000 8.111 26.251 37.726 -99.200 -91.000 TYR 224 0.840 11.061 27.070 27.473 -99.200 -91.000 TYR 230 0.840 2.818 22.772 16.816 -99.200 -91.000 TRP 233 1.040 1.795 22.543 10.320 -99.200 -91.000 TRP6 233 1.020 3.311 24.295 10.810 -99.200 -91.000 PHE 252 1.000 -1.297 21.645 14.422 -99.200 -91.000