============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 5 0.840 0.012 -36.276 -5.820 -99.200 -91.000 PHE 16 1.000 0.237 -25.603 2.558 -99.200 -91.000 TRP 27 1.040 5.055 -26.481 2.344 -99.200 -91.000 TRP6 27 1.020 5.119 -24.196 2.979 -99.200 -91.000 HIS 28 0.900 2.813 -32.876 5.124 -99.200 -91.000 HIS 30 0.900 6.397 -26.283 13.283 -99.200 -91.000 PHE 35 1.000 -3.088 -23.487 5.781 -99.200 -91.000 TYR 40 0.840 -8.679 -23.556 4.177 -99.200 -91.000 PHE 45 1.000 4.676 -28.974 -5.783 -99.200 -91.000 PHE 59 1.000 15.411 -27.516 -12.103 -99.200 -91.000 PHE 90 1.000 10.632 -15.494 -9.572 -99.200 -91.000 PHE 121 1.000 27.876 -10.228 -0.752 -99.200 -91.000 PHE 122 1.000 20.813 -17.338 -1.396 -99.200 -91.000 TYR 130 0.840 27.138 -27.217 -7.751 -99.200 -91.000 TYR 140 0.840 31.791 -21.540 8.772 -99.200 -91.000 PHE 150 1.000 15.997 -21.205 12.846 -99.200 -91.000 TRP 164 1.040 15.302 -23.495 16.101 -99.200 -91.000 TRP6 164 1.020 13.487 -24.366 14.832 -99.200 -91.000 PHE 168 1.000 20.087 -26.173 11.818 -99.200 -91.000 TRP 171 1.040 13.787 -31.088 9.217 -99.200 -91.000 TRP6 171 1.020 12.138 -30.998 7.514 -99.200 -91.000 TYR 195 0.840 5.475 -10.373 -9.728 -99.200 -91.000 PHE 207 1.000 8.610 -15.359 7.392 -99.200 -91.000 TYR 216 0.840 14.424 -3.778 1.145 -99.200 -91.000 TYR 230 0.840 5.230 -6.488 4.544 -99.200 -91.000 HIS 238 0.900 14.574 -16.994 3.765 -99.200 -91.000 PHE 241 1.000 8.474 -22.079 6.311 -99.200 -91.000 PHE 242 1.000 9.841 -26.146 9.931 -99.200 -91.000 PHE 255 1.000 -5.328 -13.667 1.667 -99.200 -91.000 PHE 256 1.000 -5.005 -19.072 1.829 -99.200 -91.000