============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 6 0.900 75.713 35.593 11.124 -99.200 -91.000 HIS 32 0.900 61.433 50.281 32.624 -99.200 -91.000 TRP 36 1.040 55.239 52.423 32.983 -99.200 -91.000 TRP6 36 1.020 55.910 50.311 33.786 -99.200 -91.000 TYR 37 0.840 60.705 54.941 31.552 -99.200 -91.000 PHE 40 1.000 64.664 57.224 26.274 -99.200 -91.000 TYR 43 0.840 65.718 53.785 10.589 -99.200 -91.000 TRP 48 1.040 73.759 56.282 19.263 -99.200 -91.000 TRP6 48 1.020 75.446 57.483 18.130 -99.200 -91.000 TRP 53 1.040 75.296 51.836 22.522 -99.200 -91.000 TRP6 53 1.020 74.431 51.132 24.601 -99.200 -91.000 PHE 58 1.000 65.290 47.833 21.088 -99.200 -91.000 TYR 63 0.840 56.484 45.863 32.331 -99.200 -91.000 TYR 69 0.840 47.784 43.407 23.686 -99.200 -91.000 TYR 92 0.840 68.916 37.747 13.455 -99.200 -91.000 TRP 97 1.040 51.909 37.640 26.685 -99.200 -91.000 TRP6 97 1.020 50.193 38.915 25.690 -99.200 -91.000 HIS 98 0.900 58.769 42.457 30.554 -99.200 -91.000 TYR 108 0.840 45.788 39.409 31.782 -99.200 -91.000 PHE 115 1.000 51.504 40.695 20.898 -99.200 -91.000 PHE 116 1.000 53.466 36.014 21.373 -99.200 -91.000 TYR 123 0.840 55.517 42.625 11.840 -99.200 -91.000 TYR 126 0.840 59.430 40.923 6.912 -99.200 -91.000 TYR 131 0.840 57.116 34.787 16.563 -99.200 -91.000 TRP 144 1.040 58.923 23.005 32.128 -99.200 -91.000 TRP6 144 1.020 59.125 24.781 30.592 -99.200 -91.000 TYR 151 0.840 51.523 31.166 27.860 -99.200 -91.000 TRP 175 1.040 60.087 37.068 39.516 -99.200 -91.000 TRP6 175 1.020 60.076 36.235 41.724 -99.200 -91.000 HIS 180 0.900 68.245 20.785 37.714 -99.200 -91.000 HIS 181 0.900 62.260 22.024 38.849 -99.200 -91.000 TYR 194 0.840 63.440 25.103 27.006 -99.200 -91.000 PHE 196 1.000 69.968 32.192 34.377 -99.200 -91.000 HIS 197 0.900 64.495 36.944 32.031 -99.200 -91.000 PHE 198 1.000 73.308 37.741 34.093 -99.200 -91.000 TYR 199 0.840 68.146 42.126 36.732 -99.200 -91.000 HIS 203 0.900 77.391 37.792 46.514 -99.200 -91.000 TYR 213 0.840 70.728 19.376 35.144 -99.200 -91.000 PHE 222 1.000 68.231 35.466 23.053 -99.200 -91.000 TRP 226 1.040 72.590 40.813 30.419 -99.200 -91.000 TRP6 226 1.020 74.271 42.189 31.349 -99.200 -91.000 PHE 238 1.000 75.555 45.291 43.221 -99.200 -91.000 TRP 245 1.040 76.047 36.409 36.043 -99.200 -91.000 TRP6 245 1.020 75.056 34.363 35.416 -99.200 -91.000 PHE 248 1.000 77.936 30.611 32.497 -99.200 -91.000 TRP 256 1.040 75.047 39.098 26.291 -99.200 -91.000 TRP6 256 1.020 75.114 41.453 26.174 -99.200 -91.000 TRP 259 1.040 65.159 45.941 32.800 -99.200 -91.000 TRP6 259 1.020 63.217 45.518 31.523 -99.200 -91.000 HIS 263 0.900 64.387 59.700 30.424 -99.200 -91.000 TRP 281 1.040 71.521 58.327 23.612 -99.200 -91.000 TRP6 281 1.020 71.085 56.057 23.144 -99.200 -91.000 PHE 292 1.000 80.162 45.826 32.238 -99.200 -91.000