============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 27 1.000 -29.149 68.950 -5.537 -99.200 -91.000 HIS 30 0.900 -36.211 63.162 -14.847 -99.200 -91.000 HIS 33 0.900 -26.930 61.324 -16.582 -99.200 -91.000 PHE 46 1.000 -28.741 59.022 -5.794 -99.200 -91.000 PHE 59 1.000 -22.685 63.126 -18.903 -99.200 -91.000 PHE 61 1.000 -19.830 67.324 -18.574 -99.200 -91.000 PHE 68 1.000 -23.247 69.155 -7.058 -99.200 -91.000 PHE 69 1.000 -16.666 69.180 -14.226 -99.200 -91.000 HIS 79 0.900 -13.777 66.514 -20.026 -99.200 -91.000 PHE 120 1.000 -25.842 80.914 -11.735 -99.200 -91.000 PHE 185 1.000 3.636 61.496 2.107 -99.200 -91.000 PHE 191 1.000 3.375 55.707 15.445 -99.200 -91.000 HIS 205 0.900 4.645 81.655 0.812 -99.200 -91.000 PHE 213 1.000 -2.557 85.381 0.704 -99.200 -91.000 PHE 237 1.000 -5.281 56.130 9.525 -99.200 -91.000 PHE 238 1.000 -10.511 58.705 7.126 -99.200 -91.000 TRP 269 1.040 -18.260 77.817 22.174 -99.200 -91.000 TRP6 269 1.020 -19.305 77.862 24.297 -99.200 -91.000 TYR 275 0.840 -9.361 68.514 23.929 -99.200 -91.000 TYR 289 0.840 -18.362 68.925 16.749 -99.200 -91.000 TRP 306 1.040 -9.156 72.372 18.359 -99.200 -91.000 TRP6 306 1.020 -7.062 71.634 17.513 -99.200 -91.000 HIS 330 0.900 -32.520 82.466 -3.550 -99.200 -91.000 TYR 331 0.840 -29.265 82.974 -7.547 -99.200 -91.000