============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 11 0.840 -24.996 31.590 27.483 -99.200 -91.000 TYR 12 0.840 -25.375 30.616 32.214 -99.200 -91.000 TYR 16 0.840 -13.833 33.113 32.812 -99.200 -91.000 PHE 17 1.000 -12.234 32.593 25.353 -99.200 -91.000 TYR 25 0.840 -13.288 53.474 16.634 -99.200 -91.000 PHE 33 1.000 -13.175 45.918 24.172 -99.200 -91.000 HIS 36 0.900 -0.649 40.019 22.980 -99.200 -91.000 TYR 37 0.840 -0.722 41.949 15.516 -99.200 -91.000 PHE 63 1.000 -16.895 36.721 32.301 -99.200 -91.000 HIS 89 0.900 -7.354 46.557 44.458 -99.200 -91.000 HIS 107 0.900 -41.601 20.565 59.127 -99.200 -91.000 TYR 116 0.840 -17.629 34.816 43.503 -99.200 -91.000 TYR 119 0.840 -9.509 37.417 42.844 -99.200 -91.000 PHE 130 1.000 -20.046 31.838 31.281 -99.200 -91.000 HIS 135 0.900 -18.704 27.309 43.691 -99.200 -91.000 HIS 140 0.900 -23.349 23.537 45.869 -99.200 -91.000 TYR 143 0.840 -28.357 25.376 34.523 -99.200 -91.000 PHE 161 1.000 -33.565 42.715 46.290 -99.200 -91.000 TYR 162 0.840 -27.763 44.585 41.077 -99.200 -91.000 PHE 164 1.000 -26.980 37.643 38.522 -99.200 -91.000 HIS 173 0.900 -32.867 43.758 30.322 -99.200 -91.000