============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 5 0.840 126.565 47.703 -36.636 -99.200 -91.000 TYR 7 0.840 132.952 54.758 -37.045 -99.200 -91.000 PHE 18 1.000 142.965 37.701 -26.881 -99.200 -91.000 PHE 38 1.000 121.207 23.325 8.231 -99.200 -91.000 TRP 70 1.040 133.827 21.383 4.759 -99.200 -91.000 TRP6 70 1.020 132.569 21.227 6.756 -99.200 -91.000 PHE 81 1.000 123.078 29.131 10.235 -99.200 -91.000 TYR 97 0.840 120.699 32.769 28.643 -99.200 -91.000 PHE 114 1.000 140.012 21.685 11.640 -99.200 -91.000 PHE 128 1.000 119.192 28.296 20.597 -99.200 -91.000 HIS 131 0.900 107.873 31.676 20.781 -99.200 -91.000 TYR 142 0.840 105.355 43.184 18.298 -99.200 -91.000 HIS 159 0.900 126.599 32.411 19.912 -99.200 -91.000 HIS 189 0.900 134.220 38.670 24.885 -99.200 -91.000 TYR 197 0.840 121.990 36.504 9.143 -99.200 -91.000 TYR 201 0.840 114.199 42.091 1.639 -99.200 -91.000 TYR 205 0.840 112.943 32.395 -3.318 -99.200 -91.000 TYR 206 0.840 114.225 33.118 4.959 -99.200 -91.000 PHE 209 1.000 118.108 27.322 8.829 -99.200 -91.000 TYR 217 0.840 110.345 38.425 13.620 -99.200 -91.000 HIS 229 0.900 115.898 55.129 5.146 -99.200 -91.000 TYR 250 0.840 114.646 39.313 -1.437 -99.200 -91.000 PHE 261 1.000 124.399 52.333 3.466 -99.200 -91.000 PHE 266 1.000 130.806 39.377 4.230 -99.200 -91.000 TYR 268 0.840 122.394 31.761 4.873 -99.200 -91.000 TYR 274 0.840 122.433 22.665 -1.792 -99.200 -91.000 HIS 277 0.900 120.256 27.714 -8.229 -99.200 -91.000 TRP 285 1.040 114.121 18.986 -15.369 -99.200 -91.000 TRP6 285 1.020 112.547 19.576 -13.752 -99.200 -91.000 PHE 298 1.000 124.443 35.013 -4.447 -99.200 -91.000 TYR 309 0.840 122.891 25.804 3.341 -99.200 -91.000 PHE 310 1.000 124.725 24.681 -4.952 -99.200 -91.000