============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 17 0.900 40.963 1.895 130.562 -99.200 -91.000 PHE 18 1.000 38.199 -2.557 124.002 -99.200 -91.000 TRP 22 1.040 48.156 12.362 126.109 -99.200 -91.000 TRP6 22 1.020 50.476 12.290 126.521 -99.200 -91.000 HIS 23 0.900 44.206 5.627 128.608 -99.200 -91.000 TYR 26 0.840 49.645 3.492 138.992 -99.200 -91.000 TRP 46 1.040 51.791 -0.737 119.347 -99.200 -91.000 TRP6 46 1.020 53.931 -1.732 119.235 -99.200 -91.000 PHE 49 1.000 60.238 6.027 122.194 -99.200 -91.000 PHE 59 1.000 60.382 17.010 118.970 -99.200 -91.000 TYR 60 0.840 69.850 22.539 117.243 -99.200 -91.000 TRP 63 1.040 72.509 15.022 128.994 -99.200 -91.000 TRP6 63 1.020 72.972 13.407 127.334 -99.200 -91.000 TYR 66 0.840 65.940 15.684 122.782 -99.200 -91.000 PHE 70 1.000 61.761 17.899 123.737 -99.200 -91.000 PHE 77 1.000 54.324 12.672 123.194 -99.200 -91.000 TRP 78 1.040 62.749 12.400 124.187 -99.200 -91.000 TRP6 78 1.020 63.300 10.890 122.451 -99.200 -91.000 HIS 85 0.900 67.298 2.918 132.354 -99.200 -91.000 PHE 102 1.000 54.640 17.240 104.935 -99.200 -91.000 TYR 106 0.840 51.008 2.582 108.725 -99.200 -91.000 PHE 108 1.000 55.112 -2.143 107.951 -99.200 -91.000 TYR 111 0.840 63.960 -1.734 114.266 -99.200 -91.000 PHE 114 1.000 63.873 1.841 122.105 -99.200 -91.000 TYR 123 0.840 69.545 9.436 129.462 -99.200 -91.000 PHE 130 1.000 63.415 -4.195 109.816 -99.200 -91.000 PHE 141 1.000 72.438 -0.874 109.893 -99.200 -91.000 HIS 142 0.900 72.073 5.767 114.463 -99.200 -91.000 PHE 147 1.000 69.236 11.364 122.623 -99.200 -91.000 PHE 165 1.000 73.607 14.035 109.917 -99.200 -91.000 TRP 169 1.040 68.360 8.815 115.430 -99.200 -91.000 TRP6 169 1.020 66.065 8.869 116.010 -99.200 -91.000 TRP 170 1.040 70.023 6.567 121.022 -99.200 -91.000 TRP6 170 1.020 67.756 6.518 120.372 -99.200 -91.000 TYR 171 0.840 72.916 12.653 115.671 -99.200 -91.000 HIS 175 0.900 71.203 11.451 109.988 -99.200 -91.000 TYR 183 0.840 56.737 19.050 110.593 -99.200 -91.000 HIS 188 0.900 65.563 17.840 103.725 -99.200 -91.000 PHE 191 1.000 73.744 14.429 103.178 -99.200 -91.000 TRP 197 1.040 63.480 4.530 108.635 -99.200 -91.000 TRP6 197 1.020 63.697 4.400 110.995 -99.200 -91.000 TYR 203 0.840 70.922 10.149 104.190 -99.200 -91.000 TYR 205 0.840 58.606 13.311 101.843 -99.200 -91.000 TYR 207 0.840 58.655 9.730 106.271 -99.200 -91.000