============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 1 1.040 26.497 109.192 30.029 -99.200 -91.000 TRP6 1 1.020 25.949 107.203 28.885 -99.200 -91.000 PHE 27 1.000 60.439 95.481 1.000 -99.200 -91.000 TYR 49 0.840 33.627 75.967 -2.494 -99.200 -91.000 TYR 52 0.840 26.410 81.819 8.436 -99.200 -91.000 PHE 58 1.000 32.279 75.113 3.193 -99.200 -91.000 TYR 68 0.840 49.864 69.260 0.853 -99.200 -91.000 TYR 69 0.840 50.055 69.818 5.792 -99.200 -91.000 HIS 70 0.900 47.454 59.255 6.829 -99.200 -91.000 PHE 112 1.000 54.910 84.821 15.716 -99.200 -91.000 TYR 115 0.840 54.619 80.894 19.957 -99.200 -91.000 TYR 129 0.840 61.528 76.340 25.063 -99.200 -91.000 TRP 137 1.040 69.538 80.848 16.764 -99.200 -91.000 TRP6 137 1.020 69.614 82.275 18.651 -99.200 -91.000 TYR 146 0.840 64.571 74.362 37.218 -99.200 -91.000 PHE 168 1.000 64.412 73.180 17.286 -99.200 -91.000 HIS 172 0.900 67.190 70.001 19.947 -99.200 -91.000 TYR 193 0.840 57.933 80.787 9.272 -99.200 -91.000 PHE 198 1.000 66.792 78.860 3.998 -99.200 -91.000 TYR 203 0.840 58.716 70.324 8.620 -99.200 -91.000 TRP 225 1.040 50.540 77.057 -0.777 -99.200 -91.000 TRP6 225 1.020 50.759 75.742 1.166 -99.200 -91.000 TRP 230 1.040 44.828 85.560 0.113 -99.200 -91.000 TRP6 230 1.020 44.878 83.968 -1.620 -99.200 -91.000 TRP 234 1.040 46.767 73.613 8.542 -99.200 -91.000 TRP6 234 1.020 46.784 74.549 6.372 -99.200 -91.000 HIS 238 0.900 49.657 65.632 13.930 -99.200 -91.000 PHE 244 1.000 46.181 66.391 22.578 -99.200 -91.000 PHE 281 1.000 54.598 79.399 -4.587 -99.200 -91.000 TYR 282 0.840 54.745 74.171 -2.953 -99.200 -91.000 HIS 283 0.900 64.163 73.910 -6.578 -99.200 -91.000 PHE 288 1.000 64.325 86.095 -2.684 -99.200 -91.000 TYR 297 0.840 76.945 83.011 8.175 -99.200 -91.000 TYR 316 0.840 61.181 85.632 9.971 -99.200 -91.000 HIS 325 0.900 85.176 94.097 20.185 -99.200 -91.000 PHE 326 1.000 79.560 97.511 17.277 -99.200 -91.000 PHE 329 1.000 75.621 102.269 19.267 -99.200 -91.000 PHE 335 1.000 74.117 97.747 16.173 -99.200 -91.000 HIS 346 0.900 62.720 99.307 12.153 -99.200 -91.000 PHE 353 1.000 61.251 88.609 17.471 -99.200 -91.000 TYR 355 0.840 68.729 85.180 23.147 -99.200 -91.000 PHE 358 1.000 72.082 86.992 19.799 -99.200 -91.000 PHE 380 1.000 75.199 102.088 13.456 -99.200 -91.000 HIS 384 0.900 78.464 104.802 15.616 -99.200 -91.000 TYR 385 0.840 85.256 96.412 16.200 -99.200 -91.000 HIS 386 0.900 84.927 103.148 19.746 -99.200 -91.000