============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 13 1.000 22.305 10.930 -21.398 -99.200 -91.000 TYR 38 0.840 30.083 1.517 -26.177 -99.200 -91.000 HIS 39 0.900 31.222 4.081 -36.605 -99.200 -91.000 HIS 40 0.900 27.842 7.393 -35.117 -99.200 -91.000 PHE 41 1.000 28.123 10.531 -29.743 -99.200 -91.000 PHE 54 1.000 22.184 25.185 -22.041 -99.200 -91.000 PHE 59 1.000 27.463 31.027 -19.332 -99.200 -91.000 TYR 62 0.840 23.445 34.017 -20.595 -99.200 -91.000 TYR 84 0.840 11.748 32.394 -19.959 -99.200 -91.000 HIS 91 0.900 12.404 20.661 -22.619 -99.200 -91.000 TYR 97 0.840 23.585 24.710 -16.550 -99.200 -91.000 HIS 103 0.900 25.070 12.770 -11.348 -99.200 -91.000 PHE 110 1.000 30.850 16.239 -16.904 -99.200 -91.000 TYR 112 0.840 31.834 21.673 -18.945 -99.200 -91.000 PHE 120 1.000 23.405 33.414 -14.844 -99.200 -91.000 TRP 124 1.040 22.968 36.640 -16.479 -99.200 -91.000 TRP6 124 1.020 20.614 36.506 -16.625 -99.200 -91.000 PHE 136 1.000 17.878 46.813 -13.615 -99.200 -91.000 PHE 146 1.000 23.811 36.332 -9.467 -99.200 -91.000 PHE 148 1.000 13.087 36.470 -8.871 -99.200 -91.000 TRP 154 1.040 19.061 27.993 -16.433 -99.200 -91.000 TRP6 154 1.020 19.171 28.670 -18.685 -99.200 -91.000 TRP 159 1.040 6.171 25.546 -17.238 -99.200 -91.000 TRP6 159 1.020 5.439 26.840 -19.092 -99.200 -91.000 TYR 160 0.840 8.517 26.544 -24.236 -99.200 -91.000 TYR 175 0.840 7.007 33.108 -16.683 -99.200 -91.000