============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 69.752 90.293 46.208 -99.200 -91.000 PHE 20 1.000 65.253 100.655 44.461 -99.200 -91.000 TYR 26 0.840 62.291 96.529 55.993 -99.200 -91.000 HIS 35 0.900 68.176 83.567 52.157 -99.200 -91.000 TYR 50 0.840 81.050 113.515 37.057 -99.200 -91.000 PHE 57 1.000 87.589 118.356 27.898 -99.200 -91.000 PHE 63 1.000 91.080 109.846 32.050 -99.200 -91.000 PHE 66 1.000 91.354 103.104 35.262 -99.200 -91.000 TYR 87 0.840 84.495 94.347 53.799 -99.200 -91.000 PHE 94 1.000 84.693 89.103 40.895 -99.200 -91.000 TRP 95 1.040 91.568 89.438 47.042 -99.200 -91.000 TRP6 95 1.020 92.298 90.181 44.915 -99.200 -91.000 TRP 98 1.040 86.005 83.627 50.082 -99.200 -91.000 TRP6 98 1.020 87.634 83.606 51.793 -99.200 -91.000 HIS 112 0.900 89.325 94.171 35.228 -99.200 -91.000 HIS 115 0.900 85.853 93.003 32.808 -99.200 -91.000 PHE 127 1.000 86.427 84.909 43.730 -99.200 -91.000 TYR 143 0.840 58.723 93.144 28.625 -99.200 -91.000 PHE 207 1.000 62.386 87.462 53.617 -99.200 -91.000 HIS 214 0.900 60.391 86.295 39.872 -99.200 -91.000