============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 7 0.840 -68.633 -1.820 69.738 -99.200 -91.000 HIS 15 0.900 -58.474 11.692 52.626 -99.200 -91.000 PHE 24 1.000 -40.735 -11.635 51.026 -99.200 -91.000 PHE 28 1.000 -51.057 -6.006 53.390 -99.200 -91.000 PHE 36 1.000 -54.015 2.442 62.931 -99.200 -91.000 TYR 41 0.840 -68.906 6.070 66.075 -99.200 -91.000 HIS 61 0.900 -50.373 -14.175 54.002 -99.200 -91.000 PHE 70 1.000 -51.072 -5.491 59.622 -99.200 -91.000 TYR 74 0.840 -53.589 1.000 67.805 -99.200 -91.000 PHE 76 1.000 -57.069 2.625 71.210 -99.200 -91.000 TYR 77 0.840 -55.007 11.138 70.048 -99.200 -91.000 PHE 78 1.000 -61.038 7.372 75.022 -99.200 -91.000 TYR 81 0.840 -64.468 13.110 78.873 -99.200 -91.000 HIS 83 0.900 -52.426 10.580 74.638 -99.200 -91.000 TYR 90 0.840 -54.937 -5.677 63.504 -99.200 -91.000 TYR 93 0.840 -53.675 -14.889 62.702 -99.200 -91.000 PHE 97 1.000 -56.014 -9.927 76.751 -99.200 -91.000 PHE 107 1.000 -58.715 8.029 79.168 -99.200 -91.000 TYR 111 0.840 -50.472 0.279 86.554 -99.200 -91.000 TYR 121 0.840 -58.472 -7.570 57.516 -99.200 -91.000 PHE 126 1.000 -66.343 -4.340 72.805 -99.200 -91.000 TYR 127 0.840 -59.227 -1.520 69.995 -99.200 -91.000 PHE 129 1.000 -58.147 1.081 75.692 -99.200 -91.000 TYR 130 0.840 -59.826 -6.261 80.685 -99.200 -91.000 TYR 171 0.840 -67.063 15.477 66.938 -99.200 -91.000