============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 15 0.900 31.127 -0.595 11.116 -99.200 -91.000 TYR 19 0.840 23.629 1.220 18.421 -99.200 -91.000 PHE 20 1.000 22.265 -2.682 15.914 -99.200 -91.000 PHE 34 1.000 35.785 8.578 35.321 -99.200 -91.000 PHE 35 1.000 40.616 8.672 26.891 -99.200 -91.000 TYR 39 0.840 46.643 15.760 24.158 -99.200 -91.000 HIS 40 0.900 46.601 8.198 22.764 -99.200 -91.000 PHE 61 1.000 31.971 7.218 20.001 -99.200 -91.000 PHE 73 1.000 31.700 11.913 25.143 -99.200 -91.000 TRP 74 1.040 38.331 13.654 29.307 -99.200 -91.000 TRP6 74 1.020 37.903 11.576 30.394 -99.200 -91.000 TYR 85 0.840 54.236 11.344 26.872 -99.200 -91.000 TRP 86 1.040 59.200 15.098 31.949 -99.200 -91.000 TRP6 86 1.020 60.660 14.417 30.173 -99.200 -91.000 PHE 91 1.000 58.817 6.637 38.481 -99.200 -91.000 HIS 100 0.900 51.907 -6.891 20.453 -99.200 -91.000 TYR 102 0.840 59.714 0.816 17.554 -99.200 -91.000 HIS 114 0.900 59.723 10.565 21.348 -99.200 -91.000 PHE 117 1.000 60.420 3.696 21.360 -99.200 -91.000 TYR 119 0.840 50.384 3.823 20.642 -99.200 -91.000 PHE 129 1.000 41.360 10.648 33.870 -99.200 -91.000 HIS 143 0.900 47.564 -1.316 22.910 -99.200 -91.000 TRP 158 1.040 57.874 8.466 43.880 -99.200 -91.000 TRP6 158 1.020 56.929 9.605 42.031 -99.200 -91.000 PHE 162 1.000 49.887 6.093 38.946 -99.200 -91.000 TYR 185 0.840 37.588 -8.115 5.764 -99.200 -91.000 PHE 192 1.000 26.055 9.120 13.610 -99.200 -91.000 HIS 218 0.900 14.362 -18.269 7.054 -99.200 -91.000 PHE 224 1.000 15.679 -13.333 8.506 -99.200 -91.000 PHE 230 1.000 19.155 -2.134 11.868 -99.200 -91.000 TYR 243 0.840 14.407 -13.326 3.401 -99.200 -91.000 TYR 250 0.840 17.341 -12.706 -2.223 -99.200 -91.000 HIS 252 0.900 9.205 -5.246 -0.803 -99.200 -91.000 PHE 253 1.000 12.377 -10.261 1.329 -99.200 -91.000 TYR 256 0.840 11.095 -4.745 6.537 -99.200 -91.000 TYR 264 0.840 17.946 0.669 16.021 -99.200 -91.000 PHE 265 1.000 21.598 3.064 13.721 -99.200 -91.000 TYR 272 0.840 26.818 13.338 13.165 -99.200 -91.000 HIS 281 0.900 23.152 20.957 24.059 -99.200 -91.000 PHE 288 1.000 28.589 17.894 33.747 -99.200 -91.000 TYR 304 0.840 51.850 18.883 40.258 -99.200 -91.000