============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 19.165 62.761 29.146 -99.200 -91.000 HIS 23 0.900 14.614 53.599 22.015 -99.200 -91.000 HIS 25 0.900 10.069 54.814 25.608 -99.200 -91.000 PHE 38 1.000 16.665 48.899 19.419 -99.200 -91.000 HIS 57 0.900 43.128 50.339 29.153 -99.200 -91.000 PHE 61 1.000 27.642 45.549 24.441 -99.200 -91.000 HIS 73 0.900 5.790 48.769 23.052 -99.200 -91.000 TYR 77 0.840 9.719 38.380 15.760 -99.200 -91.000 HIS 92 0.900 34.840 43.330 22.835 -99.200 -91.000 PHE 96 1.000 20.250 41.721 23.018 -99.200 -91.000 HIS 97 0.900 21.032 38.279 31.913 -99.200 -91.000 PHE 121 1.000 16.164 39.467 21.875 -99.200 -91.000 PHE 129 1.000 13.651 40.408 30.277 -99.200 -91.000 TYR 131 0.840 22.686 45.801 26.262 -99.200 -91.000 HIS 132 0.900 26.345 39.252 30.481 -99.200 -91.000 TRP 141 1.040 39.356 41.850 31.842 -99.200 -91.000 TRP6 141 1.020 40.359 41.765 29.719 -99.200 -91.000 HIS 142 0.900 35.546 40.957 26.883 -99.200 -91.000 HIS 160 0.900 -2.188 47.910 32.457 -99.200 -91.000 TYR 169 0.840 7.522 55.335 31.284 -99.200 -91.000 TYR 173 0.840 15.824 60.957 34.113 -99.200 -91.000 TYR 174 0.840 20.268 51.397 31.724 -99.200 -91.000 PHE 180 1.000 34.201 50.583 36.142 -99.200 -91.000 TYR 181 0.840 35.432 43.944 40.967 -99.200 -91.000 TYR 190 0.840 42.353 53.173 42.877 -99.200 -91.000 TYR 193 0.840 47.400 48.191 34.269 -99.200 -91.000 TYR 200 0.840 42.678 38.130 32.014 -99.200 -91.000 HIS 214 0.900 37.295 53.308 41.803 -99.200 -91.000 PHE 217 1.000 24.108 54.730 41.106 -99.200 -91.000 HIS 242 0.900 20.150 50.925 40.154 -99.200 -91.000 HIS 252 0.900 16.361 55.078 50.521 -99.200 -91.000 HIS 257 0.900 8.683 56.958 50.611 -99.200 -91.000 TYR 260 0.840 2.139 51.792 41.951 -99.200 -91.000 TRP 262 1.040 6.584 46.043 37.782 -99.200 -91.000 TRP6 262 1.020 6.239 48.355 37.451 -99.200 -91.000 PHE 267 1.000 7.975 46.044 33.039 -99.200 -91.000 TRP 278 1.040 14.223 49.750 44.074 -99.200 -91.000 TRP6 278 1.020 13.561 51.841 44.967 -99.200 -91.000 PHE 279 1.000 19.353 42.153 46.914 -99.200 -91.000 PHE 289 1.000 4.666 55.151 37.676 -99.200 -91.000 TYR 290 0.840 8.532 59.222 44.807 -99.200 -91.000 PHE 292 1.000 10.898 62.709 41.933 -99.200 -91.000 TYR 298 0.840 13.384 64.187 45.992 -99.200 -91.000 TYR 300 0.840 18.197 55.589 42.045 -99.200 -91.000 HIS 303 0.900 20.288 53.351 52.717 -99.200 -91.000 PHE 309 1.000 25.938 59.094 50.349 -99.200 -91.000 HIS 316 0.900 23.565 64.608 44.024 -99.200 -91.000 PHE 317 1.000 15.894 61.216 39.964 -99.200 -91.000 TRP 323 1.040 8.088 72.040 52.020 -99.200 -91.000 TRP6 323 1.020 9.756 70.389 51.806 -99.200 -91.000