============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 -15.839 29.309 49.560 -99.200 -91.000 PHE 8 1.000 -16.387 23.899 54.798 -99.200 -91.000 HIS 10 0.900 -15.608 31.622 62.937 -99.200 -91.000 PHE 25 1.000 -21.364 28.926 37.428 -99.200 -91.000 HIS 29 0.900 -22.933 27.825 32.556 -99.200 -91.000 PHE 44 1.000 -17.949 20.085 39.501 -99.200 -91.000 TYR 49 0.840 -19.426 15.515 34.986 -99.200 -91.000 TYR 60 0.840 -12.837 26.656 24.501 -99.200 -91.000 PHE 61 1.000 -19.307 20.937 21.956 -99.200 -91.000 HIS 65 0.900 -5.723 17.288 20.971 -99.200 -91.000 PHE 67 1.000 -11.158 16.319 28.241 -99.200 -91.000 PHE 68 1.000 -4.958 11.620 30.239 -99.200 -91.000 PHE 74 1.000 -3.058 11.593 42.767 -99.200 -91.000 PHE 83 1.000 -6.628 21.459 28.744 -99.200 -91.000 PHE 85 1.000 -7.071 24.096 39.580 -99.200 -91.000 TYR 116 0.840 -17.677 33.038 45.592 -99.200 -91.000 PHE 119 1.000 -22.687 32.430 41.461 -99.200 -91.000 TYR 122 0.840 -16.206 31.989 33.095 -99.200 -91.000