============================================================================= 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. TYR 4 0.840 -2.826 -2.417 58.027 -99.200 -91.000 PHE 18 1.000 1.990 -5.327 69.750 -99.200 -91.000 PHE 35 1.000 -3.337 -10.226 65.430 -99.200 -91.000 TYR 44 0.840 10.696 -4.041 62.092 -99.200 -91.000 HIS 56 0.900 -3.554 -13.541 56.397 -99.200 -91.000 TRP 83 1.040 21.250 -22.273 64.703 -99.200 -91.000 TRP6 83 1.020 19.170 -22.199 65.817 -99.200 -91.000 PHE 98 1.000 3.086 -15.761 56.798 -99.200 -91.000 PHE 109 1.000 26.976 -18.074 56.082 -99.200 -91.000 PHE 111 1.000 28.604 -18.789 49.473 -99.200 -91.000 TYR 134 0.840 11.518 -25.651 56.210 -99.200 -91.000 TYR 143 0.840 -1.079 -14.151 47.774 -99.200 -91.000 PHE 144 1.000 5.594 -16.361 51.628 -99.200 -91.000 TYR 152 0.840 25.178 -14.159 49.288 -99.200 -91.000 TYR 157 0.840 13.708 -27.104 53.115 -99.200 -91.000 PHE 164 1.000 0.431 -16.769 43.123 -99.200 -91.000 PHE 165 1.000 7.104 -18.046 47.389 -99.200 -91.000 PHE 176 1.000 18.075 -18.325 43.134 -99.200 -91.000 PHE 178 1.000 16.344 -25.785 49.959 -99.200 -91.000 PHE 185 1.000 8.567 -19.844 43.246 -99.200 -91.000 TYR 194 0.840 31.323 -11.861 41.269 -99.200 -91.000 TYR 206 0.840 23.857 -26.145 40.371 -99.200 -91.000 TYR 218 0.840 0.099 -29.057 38.632 -99.200 -91.000 TYR 239 0.840 23.746 -18.532 39.141 -99.200 -91.000 TRP 245 1.040 18.026 -32.302 47.864 -99.200 -91.000 TRP6 245 1.020 16.497 -31.342 49.402 -99.200 -91.000 HIS 246 0.900 16.489 -37.906 42.955 -99.200 -91.000 PHE 251 1.000 13.678 -44.317 51.007 -99.200 -91.000 TYR 256 0.840 18.297 -45.711 49.975 -99.200 -91.000 PHE 267 1.000 12.601 -21.899 35.136 -99.200 -91.000 HIS 275 0.900 21.444 -15.585 34.538 -99.200 -91.000 TYR 277 0.840 24.722 -24.527 33.624 -99.200 -91.000 TRP 279 1.040 16.397 -28.019 32.260 -99.200 -91.000 TRP6 279 1.020 15.047 -27.165 34.005 -99.200 -91.000 TRP 293 1.040 27.242 -38.247 39.322 -99.200 -91.000 TRP6 293 1.020 27.460 -35.942 39.823 -99.200 -91.000 PHE 294 1.000 19.533 -39.427 42.503 -99.200 -91.000 PHE 301 1.000 15.133 -30.792 36.489 -99.200 -91.000 PHE 302 1.000 9.022 -31.825 31.083 -99.200 -91.000 TYR 304 0.840 3.917 -22.846 26.197 -99.200 -91.000 TYR 307 0.840 10.540 -13.347 27.289 -99.200 -91.000 TYR 328 0.840 2.983 -27.692 34.021 -99.200 -91.000 TRP 337 1.040 -4.638 -20.804 48.673 -99.200 -91.000 TRP6 337 1.020 -2.304 -20.596 48.358 -99.200 -91.000