============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 89.356 83.459 73.677 -99.200 -91.000 TYR 11 0.840 79.290 75.688 79.512 -99.200 -91.000 PHE 13 1.000 70.684 72.435 72.385 -99.200 -91.000 TRP 14 1.040 76.214 69.966 74.257 -99.200 -91.000 TRP6 14 1.020 75.021 68.057 73.576 -99.200 -91.000 PHE 16 1.000 66.668 74.188 76.532 -99.200 -91.000 TYR 22 0.840 65.710 66.920 87.176 -99.200 -91.000 TYR 23 0.840 59.281 70.300 81.721 -99.200 -91.000 TYR 33 0.840 58.017 56.385 87.918 -99.200 -91.000 PHE 49 1.000 65.829 61.457 85.695 -99.200 -91.000 PHE 57 1.000 46.075 67.104 83.686 -99.200 -91.000 HIS 61 0.900 31.286 68.097 79.708 -99.200 -91.000 PHE 89 1.000 62.487 34.105 88.243 -99.200 -91.000 HIS 91 0.900 54.509 38.336 90.005 -99.200 -91.000 TRP 107 1.040 38.972 44.466 84.677 -99.200 -91.000 TRP6 107 1.020 38.359 45.749 86.566 -99.200 -91.000 HIS 119 0.900 28.262 71.001 71.813 -99.200 -91.000 HIS 121 0.900 24.428 66.510 73.951 -99.200 -91.000 PHE 133 1.000 26.705 60.428 63.761 -99.200 -91.000 HIS 134 0.900 24.366 58.356 56.560 -99.200 -91.000 TRP 161 1.040 26.680 50.173 70.612 -99.200 -91.000 TRP6 161 1.020 26.257 50.874 72.820 -99.200 -91.000 PHE 171 1.000 33.340 49.614 72.145 -99.200 -91.000 HIS 197 0.900 37.363 34.548 61.899 -99.200 -91.000 PHE 206 1.000 32.122 35.890 70.244 -99.200 -91.000 TYR 229 0.840 36.077 37.842 78.043 -99.200 -91.000 TYR 236 0.840 45.199 34.488 79.628 -99.200 -91.000