============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 9 1.000 16.639 2.389 5.378 -99.200 -91.000 HIS 25 0.900 24.029 4.509 14.489 -99.200 -91.000 TYR 31 0.840 25.243 25.357 16.538 -99.200 -91.000 PHE 47 1.000 13.138 -2.137 11.049 -99.200 -91.000 PHE 54 1.000 3.883 -3.720 18.523 -99.200 -91.000 TYR 57 0.840 11.144 -11.314 12.370 -99.200 -91.000 TYR 70 0.840 28.090 -2.013 11.011 -99.200 -91.000 HIS 82 0.900 2.526 -14.020 11.522 -99.200 -91.000 PHE 90 1.000 5.979 -2.609 12.933 -99.200 -91.000 PHE 91 1.000 13.984 -2.688 6.714 -99.200 -91.000 PHE 94 1.000 15.331 2.226 10.260 -99.200 -91.000 PHE 95 1.000 13.758 4.961 2.073 -99.200 -91.000 TYR 105 0.840 17.084 18.193 11.162 -99.200 -91.000 PHE 108 1.000 24.034 18.143 11.513 -99.200 -91.000