============================================================================= 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 4 1.000 224.247 61.681 -46.309 -99.200 -91.000 PHE 7 1.000 225.157 69.082 -39.607 -99.200 -91.000 TYR 30 0.840 211.178 73.295 -63.611 -99.200 -91.000 TYR 46 0.840 193.614 79.950 -67.980 -99.200 -91.000 TYR 50 0.840 188.192 82.515 -73.947 -99.200 -91.000 TYR 52 0.840 186.388 71.075 -74.091 -99.200 -91.000 HIS 53 0.900 183.072 79.485 -69.756 -99.200 -91.000 PHE 56 1.000 177.437 77.490 -70.716 -99.200 -91.000 TYR 58 0.840 175.781 76.482 -81.629 -99.200 -91.000 PHE 59 1.000 176.317 72.265 -78.874 -99.200 -91.000 PHE 72 1.000 181.320 66.561 -72.324 -99.200 -91.000 PHE 73 1.000 180.653 70.507 -75.698 -99.200 -91.000 HIS 83 0.900 192.496 68.635 -66.944 -99.200 -91.000 TYR 90 0.840 205.791 69.925 -61.681 -99.200 -91.000 PHE 110 1.000 181.634 75.752 -81.321 -99.200 -91.000 HIS 112 0.900 178.935 69.721 -90.343 -99.200 -91.000 HIS 120 0.900 181.298 70.816 -86.517 -99.200 -91.000 HIS 140 0.900 207.026 61.398 -70.720 -99.200 -91.000 PHE 154 1.000 202.563 67.730 -62.548 -99.200 -91.000 TYR 159 0.840 198.268 67.529 -66.266 -99.200 -91.000 TYR 173 0.840 180.037 61.576 -73.827 -99.200 -91.000 HIS 184 0.900 162.496 60.410 -80.383 -99.200 -91.000 TRP 187 1.040 165.013 66.385 -76.669 -99.200 -91.000 TRP6 187 1.020 163.769 64.727 -75.532 -99.200 -91.000 HIS 188 0.900 166.292 58.459 -75.612 -99.200 -91.000 PHE 189 1.000 174.976 61.574 -76.577 -99.200 -91.000 HIS 195 0.900 168.185 63.905 -66.609 -99.200 -91.000