============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 3 1.000 34.211 75.690 52.534 -99.200 -91.000 TRP 10 1.040 22.040 63.553 33.297 -99.200 -91.000 TRP6 10 1.020 23.346 61.646 32.777 -99.200 -91.000 HIS 15 0.900 22.072 65.826 17.223 -99.200 -91.000 PHE 16 1.000 18.023 61.836 22.133 -99.200 -91.000 PHE 25 1.000 20.071 61.165 27.212 -99.200 -91.000 PHE 46 1.000 10.492 69.449 43.511 -99.200 -91.000 TYR 52 0.840 10.135 70.593 25.424 -99.200 -91.000 PHE 82 1.000 15.409 86.925 38.986 -99.200 -91.000 TRP 94 1.040 17.480 67.437 30.552 -99.200 -91.000 TRP6 94 1.020 17.477 65.143 29.963 -99.200 -91.000 HIS 97 0.900 24.298 72.794 42.519 -99.200 -91.000 PHE 98 1.000 20.082 77.962 36.395 -99.200 -91.000 TRP 112 1.040 3.514 76.423 44.604 -99.200 -91.000 TRP6 112 1.020 2.813 76.131 42.371 -99.200 -91.000 TYR 133 0.840 -7.691 77.208 30.535 -99.200 -91.000 PHE 134 1.000 -4.854 78.977 26.946 -99.200 -91.000 TYR 184 0.840 -4.628 58.720 38.023 -99.200 -91.000 PHE 190 1.000 -9.773 60.614 31.393 -99.200 -91.000 PHE 194 1.000 -9.515 52.515 23.832 -99.200 -91.000 TYR 196 0.840 -2.675 54.264 23.675 -99.200 -91.000 TYR 214 0.840 -14.656 58.445 20.347 -99.200 -91.000 TYR 217 0.840 -7.161 61.467 18.717 -99.200 -91.000 PHE 218 1.000 -5.344 67.778 24.034 -99.200 -91.000 PHE 225 1.000 -5.406 56.000 19.566 -99.200 -91.000 PHE 236 1.000 -20.318 68.958 9.113 -99.200 -91.000 TYR 248 0.840 7.094 63.712 19.236 -99.200 -91.000 TYR 265 0.840 -16.772 60.985 0.138 -99.200 -91.000 PHE 273 1.000 -2.956 72.311 21.013 -99.200 -91.000 TYR 276 0.840 5.595 81.875 21.217 -99.200 -91.000 TRP 278 1.040 -4.317 80.420 23.467 -99.200 -91.000 TRP6 278 1.020 -3.797 78.371 22.413 -99.200 -91.000 TRP 293 1.040 -11.199 74.591 37.552 -99.200 -91.000 TRP6 293 1.020 -10.741 74.942 35.256 -99.200 -91.000 TYR 301 0.840 -1.502 67.205 42.877 -99.200 -91.000 HIS 302 0.900 0.911 59.423 40.514 -99.200 -91.000 HIS 304 0.900 6.528 57.635 36.753 -99.200 -91.000 PHE 309 1.000 21.437 66.323 36.848 -99.200 -91.000 PHE 316 1.000 14.147 62.414 26.614 -99.200 -91.000