============================================================================= 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. TYR 8 0.840 7.514 -6.051 -2.543 -99.200 -91.000 PHE 10 1.000 12.247 -0.328 -0.132 -99.200 -91.000 PHE 52 1.000 29.275 6.152 -3.761 -99.200 -91.000 PHE 56 1.000 33.299 -3.988 3.604 -99.200 -91.000 TYR 71 0.840 23.206 -1.586 -0.451 -99.200 -91.000 PHE 73 1.000 17.446 3.731 -1.813 -99.200 -91.000 TYR 82 0.840 24.905 4.045 5.562 -99.200 -91.000 PHE 90 1.000 23.372 -23.425 7.040 -99.200 -91.000 TYR 111 0.840 16.681 -18.438 6.309 -99.200 -91.000 PHE 112 1.000 21.037 -13.348 0.417 -99.200 -91.000 PHE 118 1.000 15.899 0.707 4.156 -99.200 -91.000 HIS 122 0.900 13.182 13.919 0.576 -99.200 -91.000 TYR 125 0.840 11.812 8.889 -0.220 -99.200 -91.000 TRP 127 1.040 8.356 5.763 4.295 -99.200 -91.000 TRP6 127 1.020 8.388 3.517 3.569 -99.200 -91.000 TYR 130 0.840 6.372 1.734 10.016 -99.200 -91.000 PHE 132 1.000 11.494 -0.718 6.510 -99.200 -91.000 HIS 139 0.900 19.605 -13.694 -9.413 -99.200 -91.000 HIS 148 0.900 8.721 -9.061 2.126 -99.200 -91.000