============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 3 0.840 -16.358 -4.917 17.747 -99.200 -91.000 PHE 29 1.000 -23.725 -9.721 34.770 -99.200 -91.000 HIS 31 0.900 -15.668 -4.382 28.322 -99.200 -91.000 PHE 35 1.000 -17.151 3.168 21.546 -99.200 -91.000 PHE 41 1.000 -21.758 7.336 13.381 -99.200 -91.000 HIS 50 0.900 -23.174 -3.229 3.380 -99.200 -91.000 HIS 56 0.900 -34.142 3.386 5.448 -99.200 -91.000 TRP 60 1.040 -39.921 0.194 12.331 -99.200 -91.000 TRP6 60 1.020 -39.008 -1.527 13.698 -99.200 -91.000 PHE 61 1.000 -35.240 0.600 17.212 -99.200 -91.000 TYR 70 0.840 -39.452 3.608 7.497 -99.200 -91.000 HIS 72 0.900 -40.945 -6.546 4.881 -99.200 -91.000 TRP 79 1.040 -35.997 -5.225 13.834 -99.200 -91.000 TRP6 79 1.020 -35.963 -6.317 15.948 -99.200 -91.000 TRP 82 1.040 -36.202 -11.949 16.185 -99.200 -91.000 TRP6 82 1.020 -36.454 -13.642 17.848 -99.200 -91.000 TYR 93 0.840 -35.386 -2.707 20.915 -99.200 -91.000 TRP 97 1.040 -36.889 3.692 22.521 -99.200 -91.000 TRP6 97 1.020 -35.331 4.304 20.856 -99.200 -91.000 TRP 100 1.040 -44.262 2.908 30.344 -99.200 -91.000 TRP6 100 1.020 -42.227 1.772 30.750 -99.200 -91.000 HIS 107 0.900 -51.360 4.567 25.152 -99.200 -91.000 TRP 132 1.040 -37.047 -4.914 31.833 -99.200 -91.000 TRP6 132 1.020 -36.036 -6.559 30.426 -99.200 -91.000 HIS 146 0.900 -31.395 -1.442 21.257 -99.200 -91.000 PHE 148 1.000 -32.542 2.607 32.871 -99.200 -91.000 PHE 149 1.000 -32.179 5.388 25.067 -99.200 -91.000 PHE 151 1.000 -30.159 10.786 25.528 -99.200 -91.000 TYR 152 0.840 -23.069 14.107 32.941 -99.200 -91.000 TYR 163 0.840 -27.364 -3.018 32.130 -99.200 -91.000 PHE 170 1.000 -18.110 -11.430 13.585 -99.200 -91.000 PHE 175 1.000 -27.863 -2.653 12.863 -99.200 -91.000 TYR 180 0.840 -29.141 3.039 21.842 -99.200 -91.000 HIS 185 0.900 -22.821 12.589 16.117 -99.200 -91.000 PHE 198 1.000 -23.265 4.566 23.077 -99.200 -91.000 TRP 200 1.040 -22.476 -1.254 24.623 -99.200 -91.000 TRP6 200 1.020 -21.472 -3.212 25.493 -99.200 -91.000 HIS 206 0.900 -24.196 -13.151 24.147 -99.200 -91.000 HIS 211 0.900 -20.968 -15.932 15.059 -99.200 -91.000 HIS 216 0.900 -9.268 -17.095 16.940 -99.200 -91.000 PHE 239 1.000 -40.842 12.716 17.750 -99.200 -91.000 TYR 241 0.840 -33.013 14.551 12.566 -99.200 -91.000 PHE 243 1.000 -30.807 6.121 3.685 -99.200 -91.000 PHE 246 1.000 -29.369 11.039 9.873 -99.200 -91.000 TYR 251 0.840 -17.227 2.481 7.176 -99.200 -91.000 HIS 254 0.900 -8.865 -3.859 7.516 -99.200 -91.000