============================================================================= 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 4 0.840 30.210 104.899 3.742 -99.200 -91.000 PHE 36 1.000 20.366 111.461 2.401 -99.200 -91.000 PHE 73 1.000 24.966 96.476 16.668 -99.200 -91.000 TYR 74 0.840 32.013 93.964 12.352 -99.200 -91.000 TRP 94 1.040 29.970 112.177 -3.987 -99.200 -91.000 TRP6 94 1.020 31.223 113.629 -2.602 -99.200 -91.000 HIS 100 0.900 30.705 101.565 7.711 -99.200 -91.000 TYR 107 0.840 26.876 103.220 20.842 -99.200 -91.000 HIS 117 0.900 44.415 94.884 20.863 -99.200 -91.000 PHE 130 1.000 33.129 100.554 1.979 -99.200 -91.000 TYR 137 0.840 32.354 111.262 18.606 -99.200 -91.000 PHE 163 1.000 27.370 109.470 33.024 -99.200 -91.000 PHE 165 1.000 26.973 100.340 26.496 -99.200 -91.000 PHE 166 1.000 24.067 105.258 27.029 -99.200 -91.000 TYR 173 0.840 31.083 106.997 18.925 -99.200 -91.000 HIS 184 0.900 38.090 115.697 9.714 -99.200 -91.000 HIS 205 0.900 40.783 122.027 5.021 -99.200 -91.000 TRP 206 1.040 37.026 115.050 3.129 -99.200 -91.000 TRP6 206 1.020 35.105 114.515 1.862 -99.200 -91.000