============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 5 1.000 -43.037 2.369 63.386 -99.200 -91.000 HIS 6 0.900 -34.121 3.919 57.883 -99.200 -91.000 TYR 26 0.840 -45.054 7.862 27.045 -99.200 -91.000 TYR 28 0.840 -43.774 18.328 30.445 -99.200 -91.000 HIS 51 0.900 -34.442 7.503 46.129 -99.200 -91.000 HIS 58 0.900 -22.619 -3.008 42.078 -99.200 -91.000 HIS 65 0.900 -26.383 -8.142 50.995 -99.200 -91.000 PHE 73 1.000 -43.175 -2.749 54.880 -99.200 -91.000 PHE 81 1.000 -31.684 -4.495 37.937 -99.200 -91.000 HIS 83 0.900 -40.551 -7.882 34.624 -99.200 -91.000 PHE 99 1.000 -40.235 -7.408 48.693 -99.200 -91.000 HIS 103 0.900 -43.186 -3.134 38.919 -99.200 -91.000 HIS 108 0.900 -50.004 -8.725 35.864 -99.200 -91.000 PHE 113 1.000 -40.442 -8.666 28.351 -99.200 -91.000 HIS 115 0.900 -48.845 -10.650 32.221 -99.200 -91.000 HIS 116 0.900 -40.705 -15.141 36.294 -99.200 -91.000 TYR 118 0.840 -36.765 -14.951 38.854 -99.200 -91.000 TYR 135 0.840 -42.491 5.311 43.891 -99.200 -91.000 PHE 137 1.000 -52.638 5.581 46.888 -99.200 -91.000