============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 17 1.000 -2.463 -17.578 4.354 -99.200 -91.000 TYR 30 0.840 0.912 -16.205 13.543 -99.200 -91.000 PHE 33 1.000 0.253 -9.214 13.762 -99.200 -91.000 HIS 37 0.900 -8.092 -12.261 19.502 -99.200 -91.000 PHE 40 1.000 -7.277 -4.530 22.916 -99.200 -91.000 HIS 53 0.900 -14.302 -10.208 23.189 -99.200 -91.000 PHE 58 1.000 -16.659 -9.514 16.619 -99.200 -91.000 TRP 61 1.040 -9.460 -3.983 18.394 -99.200 -91.000 TRP6 61 1.020 -8.506 -6.141 18.357 -99.200 -91.000 HIS 62 0.900 -11.780 -9.197 16.206 -99.200 -91.000 PHE 65 1.000 -5.246 -8.791 15.818 -99.200 -91.000 PHE 69 1.000 -1.352 -12.555 10.041 -99.200 -91.000 TYR 84 0.840 -14.069 -14.808 1.087 -99.200 -91.000 TRP 85 1.040 -13.877 -22.046 6.532 -99.200 -91.000 TRP6 85 1.020 -13.771 -22.552 8.823 -99.200 -91.000 TRP 87 1.040 -17.261 -19.235 9.209 -99.200 -91.000 TRP6 87 1.020 -19.362 -18.207 9.497 -99.200 -91.000 TRP 98 1.040 -10.920 -27.663 7.704 -99.200 -91.000 TRP6 98 1.020 -9.936 -26.305 9.375 -99.200 -91.000 PHE 102 1.000 -5.483 -22.746 2.357 -99.200 -91.000 PHE 119 1.000 0.218 -23.191 8.944 -99.200 -91.000 TRP 126 1.040 1.696 -22.751 14.051 -99.200 -91.000 TRP6 126 1.020 1.995 -20.770 12.823 -99.200 -91.000 TYR 137 0.840 0.348 -31.045 21.551 -99.200 -91.000 TYR 164 0.840 -22.326 -2.022 13.797 -99.200 -91.000 TYR 169 0.840 -24.712 0.782 21.837 -99.200 -91.000 PHE 176 1.000 -24.291 -7.563 10.950 -99.200 -91.000 HIS 179 0.900 -29.093 -11.462 17.191 -99.200 -91.000 TRP 183 1.040 -20.489 -12.571 22.841 -99.200 -91.000 TRP6 183 1.020 -19.271 -14.160 24.087 -99.200 -91.000 HIS 189 0.900 -16.409 -14.390 16.557 -99.200 -91.000 HIS 193 0.900 -12.862 -17.717 17.582 -99.200 -91.000 TRP 195 1.040 -17.435 -27.376 13.291 -99.200 -91.000 TRP6 195 1.020 -15.701 -27.574 11.683 -99.200 -91.000 PHE 211 1.000 -7.952 -14.447 15.098 -99.200 -91.000 TRP 212 1.040 -4.219 -14.797 11.189 -99.200 -91.000 TRP6 212 1.020 -4.231 -12.749 12.382 -99.200 -91.000 HIS 214 0.900 -14.439 -17.282 12.517 -99.200 -91.000 HIS 215 0.900 -12.333 -12.688 13.911 -99.200 -91.000 TYR 217 0.840 -18.151 -15.985 5.341 -99.200 -91.000 TRP 222 1.040 -19.398 -4.027 9.347 -99.200 -91.000 TRP6 222 1.020 -17.354 -2.992 9.895 -99.200 -91.000 TRP 225 1.040 -25.952 -5.263 8.752 -99.200 -91.000 TRP6 225 1.020 -25.285 -3.019 9.147 -99.200 -91.000 HIS 229 0.900 -29.833 -4.440 6.568 -99.200 -91.000 TYR 234 0.840 -19.280 1.720 15.371 -99.200 -91.000 TRP 253 1.040 -4.115 -0.617 15.694 -99.200 -91.000 TRP6 253 1.020 -6.223 -1.551 16.176 -99.200 -91.000 HIS 264 0.900 -15.360 -3.689 1.562 -99.200 -91.000 TYR 267 0.840 -8.406 0.601 5.129 -99.200 -91.000 TYR 268 0.840 -10.097 -5.453 3.176 -99.200 -91.000 PHE 270 1.000 -14.473 -8.694 1.218 -99.200 -91.000 HIS 275 0.900 -22.501 -2.857 -6.608 -99.200 -91.000 HIS 276 0.900 -29.694 -1.700 -1.224 -99.200 -91.000 HIS 277 0.900 -32.702 -7.366 -5.211 -99.200 -91.000