============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 28.675 2.000 17.600 -99.200 -91.000 PHE 6 1.000 26.290 -2.274 9.865 -99.200 -91.000 TYR 16 0.840 12.058 -10.147 1.001 -99.200 -91.000 PHE 19 1.000 10.306 -10.783 10.365 -99.200 -91.000 PHE 30 1.000 10.204 -6.142 1.476 -99.200 -91.000 PHE 32 1.000 16.353 -2.086 0.070 -99.200 -91.000 TYR 77 0.840 24.716 15.750 1.252 -99.200 -91.000 TRP 85 1.040 3.601 3.483 3.774 -99.200 -91.000 TRP6 85 1.020 2.696 1.899 2.251 -99.200 -91.000 PHE 100 1.000 9.084 5.896 18.012 -99.200 -91.000 PHE 103 1.000 1.489 4.473 28.814 -99.200 -91.000 PHE 104 1.000 3.243 -3.556 30.210 -99.200 -91.000 HIS 126 0.900 23.667 2.515 16.909 -99.200 -91.000 TRP 131 1.040 10.155 11.049 12.029 -99.200 -91.000 TRP6 131 1.020 12.417 11.024 11.371 -99.200 -91.000 PHE 141 1.000 6.339 2.848 13.528 -99.200 -91.000 PHE 143 1.000 16.910 2.857 11.284 -99.200 -91.000