============================================================================= 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. TRP 3 1.040 56.064 3.625 15.015 -99.200 -91.000 TRP6 3 1.020 54.308 2.955 16.434 -99.200 -91.000 TYR 21 0.840 61.720 -6.227 21.254 -99.200 -91.000 PHE 23 1.000 69.946 -6.978 13.634 -99.200 -91.000 TYR 28 0.840 67.256 2.267 8.631 -99.200 -91.000 HIS 32 0.900 70.743 4.257 20.577 -99.200 -91.000 HIS 33 0.900 70.751 12.016 20.317 -99.200 -91.000 PHE 35 1.000 73.500 11.562 31.832 -99.200 -91.000 PHE 43 1.000 70.549 3.179 29.091 -99.200 -91.000 PHE 44 1.000 67.350 8.597 33.134 -99.200 -91.000 PHE 49 1.000 60.605 2.039 16.186 -99.200 -91.000 PHE 55 1.000 55.798 -1.873 14.953 -99.200 -91.000 PHE 60 1.000 58.803 -2.543 19.393 -99.200 -91.000 PHE 71 1.000 68.635 -5.794 31.293 -99.200 -91.000 PHE 74 1.000 57.912 -0.924 26.751 -99.200 -91.000 HIS 81 0.900 50.059 10.263 21.224 -99.200 -91.000 HIS 93 0.900 51.965 35.736 31.812 -99.200 -91.000 TYR 100 0.840 52.033 32.674 17.515 -99.200 -91.000 HIS 117 0.900 39.743 33.795 39.981 -99.200 -91.000 HIS 125 0.900 33.044 31.694 22.086 -99.200 -91.000 TRP 126 1.040 39.399 35.287 18.614 -99.200 -91.000 TRP6 126 1.020 41.763 35.233 18.469 -99.200 -91.000 HIS 127 0.900 43.152 31.271 20.941 -99.200 -91.000 TYR 131 0.840 37.264 29.707 30.848 -99.200 -91.000 TYR 132 0.840 34.961 22.034 30.750 -99.200 -91.000 HIS 133 0.900 34.260 30.389 37.326 -99.200 -91.000 PHE 134 1.000 35.063 22.561 36.571 -99.200 -91.000 TYR 165 0.840 44.396 26.467 39.005 -99.200 -91.000 TRP 179 1.040 49.950 12.715 34.882 -99.200 -91.000 TRP6 179 1.020 47.709 13.209 34.318 -99.200 -91.000 HIS 184 0.900 58.851 28.875 40.229 -99.200 -91.000 HIS 185 0.900 58.539 35.309 40.886 -99.200 -91.000 PHE 189 1.000 64.759 40.375 44.843 -99.200 -91.000 TYR 195 0.840 58.469 40.200 38.218 -99.200 -91.000 HIS 196 0.900 56.338 46.854 42.300 -99.200 -91.000 TYR 199 0.840 63.436 50.465 39.709 -99.200 -91.000 HIS 210 0.900 57.750 23.579 39.366 -99.200 -91.000 TYR 211 0.840 57.659 16.701 34.357 -99.200 -91.000 HIS 231 0.900 70.281 52.161 33.092 -99.200 -91.000 HIS 233 0.900 64.323 46.675 30.872 -99.200 -91.000 TYR 234 0.840 61.640 53.843 35.404 -99.200 -91.000 TYR 256 0.840 63.485 21.088 26.172 -99.200 -91.000 HIS 257 0.900 55.356 15.682 29.437 -99.200 -91.000 PHE 263 1.000 64.015 9.862 28.986 -99.200 -91.000