============================================================================= 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 8 0.840 -9.188 -25.191 1.352 -99.200 -91.000 TYR 12 0.840 -1.847 -32.241 0.497 -99.200 -91.000 PHE 14 1.000 -2.129 -25.445 7.487 -99.200 -91.000 PHE 18 1.000 -1.639 -21.824 17.631 -99.200 -91.000 HIS 20 0.900 3.079 -21.723 28.545 -99.200 -91.000 TYR 26 0.840 -4.132 -21.060 20.376 -99.200 -91.000 PHE 34 1.000 -3.460 -13.281 24.949 -99.200 -91.000 TRP 46 1.040 -0.387 -30.311 15.017 -99.200 -91.000 TRP6 46 1.020 0.061 -32.338 16.161 -99.200 -91.000 TYR 63 0.840 -3.735 -3.091 11.654 -99.200 -91.000 HIS 78 0.900 11.504 3.328 18.959 -99.200 -91.000 HIS 79 0.900 9.356 -1.559 18.358 -99.200 -91.000 HIS 91 0.900 8.414 -7.891 5.324 -99.200 -91.000 TYR 103 0.840 11.903 -12.138 6.328 -99.200 -91.000 PHE 110 1.000 2.405 -0.617 -2.398 -99.200 -91.000 HIS 112 0.900 5.549 -5.204 5.091 -99.200 -91.000 TYR 118 0.840 4.842 -29.674 5.195 -99.200 -91.000 HIS 131 0.900 10.904 -22.699 16.846 -99.200 -91.000 TYR 132 0.840 5.571 -18.097 11.761 -99.200 -91.000 TYR 134 0.840 3.681 -12.586 15.628 -99.200 -91.000 PHE 168 1.000 -1.283 -17.531 14.870 -99.200 -91.000