============================================================================= 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 14 0.840 -48.128 -30.090 -43.796 -99.200 -91.000 HIS 30 0.900 -44.143 -15.847 -44.847 -99.200 -91.000 TRP 41 1.040 -42.651 -15.887 -25.061 -99.200 -91.000 TRP6 41 1.020 -42.468 -18.247 -25.131 -99.200 -91.000 TYR 46 0.840 -38.933 -18.034 -43.598 -99.200 -91.000 PHE 50 1.000 -35.439 -21.772 -36.997 -99.200 -91.000 PHE 53 1.000 -32.975 -32.566 -38.229 -99.200 -91.000 PHE 54 1.000 -39.184 -31.858 -37.479 -99.200 -91.000 PHE 60 1.000 -44.406 -20.708 -32.023 -99.200 -91.000 HIS 64 0.900 -36.116 -16.175 -20.806 -99.200 -91.000 PHE 67 1.000 -38.398 -21.469 -22.061 -99.200 -91.000 HIS 68 0.900 -35.443 -23.534 -29.358 -99.200 -91.000 TRP 81 1.040 -49.206 -30.363 -37.787 -99.200 -91.000 TRP6 81 1.020 -47.990 -28.442 -38.424 -99.200 -91.000 PHE 93 1.000 -36.577 -32.944 -27.065 -99.200 -91.000 PHE 102 1.000 -51.635 -25.426 -37.647 -99.200 -91.000 HIS 109 0.900 -56.069 -21.266 -25.301 -99.200 -91.000 TYR 122 0.840 -44.683 -22.567 -11.666 -99.200 -91.000 HIS 129 0.900 -42.005 -33.230 -15.277 -99.200 -91.000