============================================================================= 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 10 0.840 -106.526 -52.315 21.037 -99.200 -91.000 TYR 25 0.840 -96.021 -39.754 6.088 -99.200 -91.000 PHE 26 1.000 -93.896 -44.089 -3.120 -99.200 -91.000 HIS 28 0.900 -99.706 -35.891 1.158 -99.200 -91.000 PHE 32 1.000 -94.711 -32.404 -0.546 -99.200 -91.000 TRP 35 1.040 -96.521 -29.579 -7.449 -99.200 -91.000 TRP6 35 1.020 -97.708 -29.816 -5.424 -99.200 -91.000 TYR 45 0.840 -88.554 -43.204 -1.070 -99.200 -91.000 HIS 46 0.900 -86.297 -41.636 6.784 -99.200 -91.000 HIS 54 0.900 -93.333 -47.311 12.302 -99.200 -91.000 TYR 58 0.840 -98.127 -52.324 14.058 -99.200 -91.000 PHE 64 1.000 -94.280 -65.508 18.301 -99.200 -91.000 TYR 107 0.840 -106.365 -55.656 25.659 -99.200 -91.000 HIS 112 0.900 -100.109 -59.923 33.011 -99.200 -91.000 TYR 114 0.840 -95.914 -57.382 30.714 -99.200 -91.000 HIS 130 0.900 -92.901 -41.104 11.295 -99.200 -91.000 TRP 133 1.040 -89.631 -33.042 8.987 -99.200 -91.000 TRP6 133 1.020 -91.130 -33.246 7.185 -99.200 -91.000 TYR 149 0.840 -91.844 -25.021 3.954 -99.200 -91.000