============================================================================= 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 1 1.000 190.545 95.523 -70.438 -99.200 -91.000 PHE 4 1.000 199.399 93.851 -66.043 -99.200 -91.000 TYR 27 0.840 179.708 108.692 -52.774 -99.200 -91.000 TYR 43 0.840 171.850 108.483 -35.278 -99.200 -91.000 TYR 47 0.840 166.792 112.235 -29.655 -99.200 -91.000 TYR 49 0.840 158.948 106.366 -35.838 -99.200 -91.000 HIS 50 0.900 164.869 105.505 -27.715 -99.200 -91.000 PHE 53 1.000 160.137 103.105 -24.809 -99.200 -91.000 TYR 55 0.840 151.995 110.502 -24.546 -99.200 -91.000 PHE 56 1.000 151.442 106.652 -27.528 -99.200 -91.000 PHE 69 1.000 154.744 100.798 -34.976 -99.200 -91.000 PHE 70 1.000 154.642 105.061 -32.042 -99.200 -91.000 HIS 80 0.900 165.181 101.905 -41.871 -99.200 -91.000 TYR 87 0.840 176.134 103.468 -50.901 -99.200 -91.000 PHE 107 1.000 154.823 112.335 -29.367 -99.200 -91.000 HIS 109 0.900 144.363 115.962 -31.511 -99.200 -91.000 HIS 117 0.900 148.686 114.182 -32.453 -99.200 -91.000 HIS 137 0.900 166.264 107.273 -57.451 -99.200 -91.000 PHE 151 1.000 172.602 101.768 -49.908 -99.200 -91.000 TYR 156 0.840 168.056 103.186 -46.824 -99.200 -91.000 TYR 170 0.840 150.153 99.236 -37.372 -99.200 -91.000 HIS 181 0.900 136.298 96.997 -25.092 -99.200 -91.000 TRP 184 1.040 143.314 97.908 -23.002 -99.200 -91.000 TRP6 184 1.020 142.383 95.744 -23.146 -99.200 -91.000 HIS 185 0.900 139.961 93.849 -29.121 -99.200 -91.000 PHE 186 1.000 145.824 99.465 -33.664 -99.200 -91.000 HIS 192 0.900 149.703 89.851 -26.847 -99.200 -91.000