============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 19 0.840 -15.374 -11.816 36.360 -99.200 -91.000 HIS 22 0.900 -15.655 -11.062 24.237 -99.200 -91.000 TRP 48 1.040 0.942 -6.690 43.514 -99.200 -91.000 TRP6 48 1.020 2.826 -6.512 42.105 -99.200 -91.000 PHE 55 1.000 6.849 -0.053 42.554 -99.200 -91.000 HIS 59 0.900 11.913 10.793 42.275 -99.200 -91.000 TYR 69 0.840 11.025 1.671 31.431 -99.200 -91.000 TRP 71 1.040 -0.214 -2.627 30.593 -99.200 -91.000 TRP6 71 1.020 -0.393 -2.387 28.247 -99.200 -91.000 PHE 77 1.000 5.834 -14.382 35.537 -99.200 -91.000 TRP 81 1.040 -0.837 -18.143 38.946 -99.200 -91.000 TRP6 81 1.020 0.651 -19.726 39.851 -99.200 -91.000 TYR 84 0.840 1.214 -24.140 36.526 -99.200 -91.000 HIS 86 0.900 -7.850 -20.206 37.314 -99.200 -91.000 TYR 93 0.840 -9.190 -18.581 33.457 -99.200 -91.000 PHE 94 1.000 -5.567 -13.707 26.387 -99.200 -91.000 PHE 109 1.000 -6.124 -11.784 18.678 -99.200 -91.000 TYR 110 0.840 -7.196 -15.572 15.980 -99.200 -91.000 TRP 117 1.040 -1.182 -21.961 24.571 -99.200 -91.000 TRP6 117 1.020 -3.086 -21.842 23.181 -99.200 -91.000 PHE 123 1.000 4.439 -19.393 34.574 -99.200 -91.000 PHE 133 1.000 2.542 -15.773 39.183 -99.200 -91.000 PHE 156 1.000 15.728 -1.459 40.097 -99.200 -91.000 TYR 163 0.840 10.316 -8.305 46.740 -99.200 -91.000 PHE 184 1.000 18.685 -17.709 41.223 -99.200 -91.000 TYR 185 0.840 20.701 -21.468 33.392 -99.200 -91.000 HIS 195 0.900 14.110 -8.188 29.642 -99.200 -91.000 HIS 202 0.900 6.691 -3.860 25.284 -99.200 -91.000 TYR 204 0.840 -1.086 -7.802 17.129 -99.200 -91.000 PHE 209 1.000 -2.366 4.141 20.736 -99.200 -91.000 PHE 219 1.000 -5.684 0.058 21.151 -99.200 -91.000 PHE 244 1.000 17.445 -12.547 37.575 -99.200 -91.000 HIS 245 0.900 21.051 -17.145 34.172 -99.200 -91.000