============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 36.180 -11.838 -15.942 -99.200 -91.000 TYR 18 0.840 21.812 -8.331 -34.733 -99.200 -91.000 TRP 29 1.040 26.044 6.655 -30.705 -99.200 -91.000 TRP6 29 1.020 24.090 7.881 -31.138 -99.200 -91.000 HIS 33 0.900 15.839 -7.408 -33.490 -99.200 -91.000 TYR 50 0.840 19.151 9.811 -31.018 -99.200 -91.000 TRP 71 1.040 26.370 7.863 -42.197 -99.200 -91.000 TRP6 71 1.020 25.226 8.310 -44.213 -99.200 -91.000 PHE 72 1.000 19.560 4.407 -38.986 -99.200 -91.000 TYR 92 0.840 20.228 9.397 -47.494 -99.200 -91.000 TYR 102 0.840 23.839 -8.323 -40.912 -99.200 -91.000 TRP 113 1.040 32.672 2.231 -49.243 -99.200 -91.000 TRP6 113 1.020 33.174 1.115 -51.257 -99.200 -91.000 PHE 114 1.000 24.813 0.455 -48.605 -99.200 -91.000 TYR 134 0.840 31.323 -0.519 -56.532 -99.200 -91.000 TYR 142 0.840 22.068 -15.330 -48.679 -99.200 -91.000 PHE 145 1.000 28.774 -8.481 -38.386 -99.200 -91.000 TRP 155 1.040 40.316 -6.183 -46.609 -99.200 -91.000 TRP6 155 1.020 41.313 -8.136 -47.454 -99.200 -91.000 PHE 156 1.000 32.780 -8.151 -49.559 -99.200 -91.000 PHE 176 1.000 41.940 -12.720 -50.908 -99.200 -91.000 TRP 197 1.040 43.019 -10.681 -36.500 -99.200 -91.000 TRP6 197 1.020 43.847 -12.712 -35.631 -99.200 -91.000 PHE 198 1.000 38.068 -15.259 -41.506 -99.200 -91.000 PHE 218 1.000 45.035 -18.388 -35.084 -99.200 -91.000 HIS 228 0.900 26.337 -11.864 -34.758 -99.200 -91.000 TRP 239 1.040 38.870 -8.380 -26.099 -99.200 -91.000 TRP6 239 1.020 38.577 -9.385 -24.009 -99.200 -91.000 PHE 240 1.000 36.004 -15.370 -29.984 -99.200 -91.000 TRP 243 1.040 22.971 -15.942 -30.548 -99.200 -91.000 TRP6 243 1.020 22.120 -18.094 -31.068 -99.200 -91.000 TYR 260 0.840 37.708 -13.682 -20.197 -99.200 -91.000 HIS 270 0.900 22.116 -11.182 -30.743 -99.200 -91.000 PHE 274 1.000 39.476 -2.375 -26.079 -99.200 -91.000 TRP 280 1.040 31.507 -0.378 -23.731 -99.200 -91.000 TRP6 280 1.020 29.873 0.610 -22.350 -99.200 -91.000 PHE 281 1.000 29.051 -8.761 -23.146 -99.200 -91.000