============================================================================= 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. PHE 3 1.000 4.267 -3.457 16.186 -99.200 -91.000 TYR 4 0.840 7.183 -0.503 26.149 -99.200 -91.000 TRP 14 1.040 5.013 19.525 26.175 -99.200 -91.000 TRP6 14 1.020 2.718 19.664 25.610 -99.200 -91.000 TRP 39 1.040 14.842 6.952 17.122 -99.200 -91.000 TRP6 39 1.020 15.938 7.399 15.078 -99.200 -91.000 PHE 40 1.000 18.128 2.097 23.136 -99.200 -91.000 HIS 42 0.900 22.974 9.946 23.161 -99.200 -91.000 HIS 43 0.900 31.115 4.060 21.584 -99.200 -91.000 HIS 83 0.900 33.107 1.229 10.388 -99.200 -91.000 TYR 86 0.840 27.702 0.038 15.391 -99.200 -91.000 TRP 89 1.040 26.820 1.105 21.882 -99.200 -91.000 TRP6 89 1.020 25.129 1.080 20.230 -99.200 -91.000 PHE 93 1.000 20.553 -2.245 21.135 -99.200 -91.000 TYR 103 0.840 8.525 -6.121 14.281 -99.200 -91.000 HIS 120 0.900 39.157 0.501 4.411 -99.200 -91.000 TYR 131 0.840 30.349 -8.111 14.884 -99.200 -91.000 TYR 146 0.840 11.929 -5.615 10.246 -99.200 -91.000 PHE 147 1.000 21.343 -5.528 7.745 -99.200 -91.000 HIS 151 0.900 13.954 9.071 1.204 -99.200 -91.000 TRP 154 1.040 18.862 9.181 -1.208 -99.200 -91.000 TRP6 154 1.020 18.823 8.998 1.145 -99.200 -91.000 HIS 155 0.900 21.312 6.142 -2.685 -99.200 -91.000 TRP 163 1.040 25.591 0.207 -2.198 -99.200 -91.000 TRP6 163 1.020 24.418 2.241 -2.436 -99.200 -91.000 HIS 174 0.900 11.477 -10.896 9.184 -99.200 -91.000 TYR 183 0.840 9.081 14.777 6.894 -99.200 -91.000 TRP 185 1.040 2.281 11.280 -1.137 -99.200 -91.000 TRP6 185 1.020 0.428 11.839 0.222 -99.200 -91.000 TYR 192 0.840 13.464 2.415 -1.897 -99.200 -91.000 TRP 223 1.040 17.209 16.618 4.779 -99.200 -91.000 TRP6 223 1.020 18.100 16.836 6.949 -99.200 -91.000 PHE 247 1.000 1.561 0.598 6.126 -99.200 -91.000 TRP 249 1.040 3.324 6.733 13.776 -99.200 -91.000 TRP6 249 1.020 2.351 8.354 15.186 -99.200 -91.000 PHE 266 1.000 6.568 16.810 21.989 -99.200 -91.000 TYR 272 0.840 -3.133 21.565 18.212 -99.200 -91.000