============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 17 1.040 20.485 37.363 64.252 -99.200 -91.000 TRP6 17 1.020 20.675 37.950 61.979 -99.200 -91.000 HIS 20 0.900 17.780 46.034 73.124 -99.200 -91.000 PHE 22 1.000 10.044 46.178 66.736 -99.200 -91.000 HIS 38 0.900 25.294 59.438 59.908 -99.200 -91.000 PHE 41 1.000 25.709 53.973 53.359 -99.200 -91.000 PHE 50 1.000 31.667 52.926 47.059 -99.200 -91.000 TYR 60 0.840 18.165 57.763 48.812 -99.200 -91.000 HIS 67 0.900 8.751 59.282 49.168 -99.200 -91.000 TYR 68 0.840 10.535 51.672 53.546 -99.200 -91.000 HIS 69 0.900 2.404 53.606 52.074 -99.200 -91.000 TYR 74 0.840 6.949 42.390 58.655 -99.200 -91.000 HIS 75 0.900 5.485 43.784 54.264 -99.200 -91.000 HIS 79 0.900 10.684 44.125 56.628 -99.200 -91.000 HIS 88 0.900 26.917 46.352 59.550 -99.200 -91.000 PHE 100 1.000 29.752 38.948 48.698 -99.200 -91.000 PHE 110 1.000 20.135 52.540 46.973 -99.200 -91.000 HIS 115 0.900 13.321 44.958 52.011 -99.200 -91.000 HIS 119 0.900 4.281 45.943 51.142 -99.200 -91.000 PHE 126 1.000 -6.194 43.569 48.235 -99.200 -91.000 TYR 138 0.840 5.972 48.084 38.030 -99.200 -91.000 HIS 147 0.900 5.583 51.604 43.519 -99.200 -91.000 HIS 148 0.900 8.405 47.391 47.487 -99.200 -91.000 PHE 153 1.000 17.773 51.766 41.310 -99.200 -91.000 PHE 164 1.000 24.044 54.975 45.100 -99.200 -91.000 HIS 191 0.900 11.931 30.230 49.979 -99.200 -91.000 TYR 214 0.840 26.300 40.054 38.462 -99.200 -91.000 HIS 226 0.900 14.152 34.853 50.304 -99.200 -91.000 TYR 240 0.840 9.175 34.416 65.511 -99.200 -91.000 TRP 243 1.040 10.517 41.976 63.843 -99.200 -91.000 TRP6 243 1.020 10.229 44.033 62.706 -99.200 -91.000 PHE 251 1.000 0.385 38.259 56.310 -99.200 -91.000 PHE 252 1.000 -5.524 38.569 62.006 -99.200 -91.000 HIS 272 0.900 -14.255 37.947 62.400 -99.200 -91.000 PHE 283 1.000 7.021 32.489 56.327 -99.200 -91.000 TYR 286 0.840 5.282 22.802 55.297 -99.200 -91.000 HIS 289 0.900 15.433 24.357 60.303 -99.200 -91.000 TRP 292 1.040 17.374 32.335 58.221 -99.200 -91.000 TRP6 292 1.020 19.343 33.580 58.608 -99.200 -91.000 TRP 295 1.040 23.536 32.593 55.514 -99.200 -91.000 TRP6 295 1.020 24.128 33.716 53.520 -99.200 -91.000 HIS 300 0.900 28.907 23.866 60.152 -99.200 -91.000 TRP 316 1.040 7.704 30.394 73.718 -99.200 -91.000 TRP6 316 1.020 6.113 31.835 72.731 -99.200 -91.000 TYR 317 0.840 5.279 32.052 67.786 -99.200 -91.000