============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 18 1.000 43.318 -10.557 -14.977 -99.200 -91.000 TYR 22 0.840 45.278 -5.339 -13.185 -99.200 -91.000 PHE 28 1.000 42.473 1.136 -14.162 -99.200 -91.000 HIS 33 0.900 50.892 12.683 -11.626 -99.200 -91.000 HIS 42 0.900 41.745 1.042 -0.673 -99.200 -91.000 HIS 47 0.900 35.963 0.294 4.826 -99.200 -91.000 HIS 56 0.900 35.126 5.842 -4.653 -99.200 -91.000 HIS 59 0.900 28.766 -3.839 -4.084 -99.200 -91.000 PHE 67 1.000 29.869 5.034 -11.324 -99.200 -91.000 TYR 77 0.840 37.957 16.407 -21.287 -99.200 -91.000 HIS 83 0.900 45.107 23.205 -14.700 -99.200 -91.000 HIS 106 0.900 30.155 -2.203 6.995 -99.200 -91.000 TYR 121 0.840 25.551 11.711 1.028 -99.200 -91.000 HIS 126 0.900 30.527 4.802 11.061 -99.200 -91.000 HIS 131 0.900 39.514 7.707 -0.074 -99.200 -91.000