============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 15 1.000 11.652 36.856 -11.578 -99.200 -91.000 HIS 30 0.900 32.535 27.363 -4.205 -99.200 -91.000 TRP 55 1.040 29.229 43.393 3.074 -99.200 -91.000 TRP6 55 1.020 28.908 41.128 2.477 -99.200 -91.000 PHE 58 1.000 25.817 53.582 2.604 -99.200 -91.000 TYR 71 0.840 18.905 63.562 16.584 -99.200 -91.000 PHE 81 1.000 16.475 44.703 9.077 -99.200 -91.000 TYR 83 0.840 11.926 40.896 8.582 -99.200 -91.000 HIS 92 0.900 30.289 45.930 12.261 -99.200 -91.000 TYR 97 0.840 34.739 51.254 1.146 -99.200 -91.000 TYR 108 0.840 12.314 36.235 10.297 -99.200 -91.000 HIS 110 0.900 15.397 28.475 5.321 -99.200 -91.000 PHE 115 1.000 17.056 37.636 1.731 -99.200 -91.000 HIS 120 0.900 10.655 48.445 0.629 -99.200 -91.000 PHE 122 1.000 21.362 46.277 4.433 -99.200 -91.000 TYR 123 0.840 16.769 51.137 -2.201 -99.200 -91.000