============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 12.782 15.138 11.029 -99.200 -91.000 PHE 6 1.000 5.856 -1.750 8.060 -99.200 -91.000 HIS 13 0.900 -6.988 -18.553 -3.154 -99.200 -91.000 PHE 24 1.000 3.120 -9.463 4.653 -99.200 -91.000 TYR 35 0.840 6.752 -4.296 3.378 -99.200 -91.000 PHE 42 1.000 11.298 -0.548 8.826 -99.200 -91.000 TYR 50 0.840 11.492 1.858 13.601 -99.200 -91.000 TYR 51 0.840 4.406 -4.258 18.659 -99.200 -91.000 PHE 52 1.000 9.928 -3.733 12.855 -99.200 -91.000 TYR 54 0.840 3.628 -12.812 12.264 -99.200 -91.000 HIS 55 0.900 -2.389 -9.778 14.531 -99.200 -91.000 HIS 58 0.900 -2.071 -21.051 9.880 -99.200 -91.000 TYR 67 0.840 15.396 -14.634 8.643 -99.200 -91.000 PHE 76 1.000 6.411 -15.560 17.715 -99.200 -91.000 HIS 79 0.900 2.433 -27.314 13.043 -99.200 -91.000 TRP 102 1.040 13.748 -10.929 5.552 -99.200 -91.000 TRP6 102 1.020 15.882 -9.938 5.788 -99.200 -91.000 TYR 108 0.840 5.532 -27.465 8.984 -99.200 -91.000 TYR 109 0.840 4.321 -24.041 1.092 -99.200 -91.000 PHE 121 1.000 6.116 -6.918 8.759 -99.200 -91.000 PHE 124 1.000 3.164 0.614 16.068 -99.200 -91.000 PHE 127 1.000 9.678 4.639 23.523 -99.200 -91.000