============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 5 1.040 30.488 19.127 15.820 -99.200 -91.000 TRP6 5 1.020 29.535 17.372 17.084 -99.200 -91.000 HIS 7 0.900 41.357 13.343 16.672 -99.200 -91.000 TYR 10 0.840 32.348 9.873 25.214 -99.200 -91.000 HIS 23 0.900 10.878 2.633 26.875 -99.200 -91.000 TYR 25 0.840 17.704 3.851 21.565 -99.200 -91.000 HIS 40 0.900 1.206 7.746 33.010 -99.200 -91.000 HIS 68 0.900 42.662 25.021 44.404 -99.200 -91.000 HIS 72 0.900 34.511 14.744 45.024 -99.200 -91.000 PHE 82 1.000 7.007 22.045 31.121 -99.200 -91.000 TYR 89 0.840 4.736 24.291 27.548 -99.200 -91.000 PHE 91 1.000 12.979 21.791 30.387 -99.200 -91.000 HIS 94 0.900 19.818 28.220 42.350 -99.200 -91.000 PHE 103 1.000 29.466 30.152 51.948 -99.200 -91.000 PHE 109 1.000 38.306 24.789 46.083 -99.200 -91.000 TYR 129 0.840 23.947 27.440 35.220 -99.200 -91.000 PHE 137 1.000 23.597 19.779 48.135 -99.200 -91.000