============================================================================= 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 6 1.000 -4.669 23.802 50.837 -99.200 -91.000 TYR 20 0.840 -7.353 32.952 55.230 -99.200 -91.000 PHE 25 1.000 -0.007 31.506 57.177 -99.200 -91.000 HIS 37 0.900 -6.185 13.050 47.059 -99.200 -91.000 PHE 42 1.000 -11.702 -2.320 45.218 -99.200 -91.000 TYR 45 0.840 -23.471 -0.547 46.235 -99.200 -91.000 TYR 53 0.840 -10.987 -4.898 39.626 -99.200 -91.000 PHE 71 1.000 -6.002 22.698 45.081 -99.200 -91.000 PHE 74 1.000 -4.050 29.142 43.907 -99.200 -91.000 PHE 75 1.000 -0.753 26.874 47.191 -99.200 -91.000 PHE 83 1.000 9.359 20.250 50.551 -99.200 -91.000 TYR 102 0.840 3.899 18.686 57.698 -99.200 -91.000 PHE 114 1.000 -9.255 15.665 55.160 -99.200 -91.000 PHE 119 1.000 -13.215 20.678 59.668 -99.200 -91.000 HIS 122 0.900 -16.023 25.695 70.271 -99.200 -91.000 PHE 126 1.000 -9.422 16.726 61.108 -99.200 -91.000