============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 7.181 28.088 32.557 -99.200 -91.000 PHE 8 1.000 3.206 26.396 30.778 -99.200 -91.000 TRP 10 1.040 6.004 26.286 26.545 -99.200 -91.000 TRP6 10 1.020 6.535 28.266 27.720 -99.200 -91.000 TYR 17 0.840 -12.517 43.544 11.283 -99.200 -91.000 TRP 33 1.040 -14.471 45.459 16.162 -99.200 -91.000 TRP6 33 1.020 -13.082 47.390 16.350 -99.200 -91.000 HIS 34 0.900 -17.266 45.721 6.189 -99.200 -91.000 PHE 36 1.000 -15.967 51.515 16.249 -99.200 -91.000 HIS 38 0.900 -15.087 49.586 5.473 -99.200 -91.000 HIS 55 0.900 -4.707 33.085 9.166 -99.200 -91.000 TYR 56 0.840 -11.441 33.868 3.346 -99.200 -91.000 TRP 59 1.040 -5.783 28.948 4.621 -99.200 -91.000 TRP6 59 1.020 -5.497 26.603 4.780 -99.200 -91.000 TYR 74 0.840 -3.524 29.886 15.278 -99.200 -91.000 PHE 76 1.000 -8.498 28.492 15.214 -99.200 -91.000 TRP 80 1.040 -22.547 34.698 15.568 -99.200 -91.000 TRP6 80 1.020 -23.091 35.408 17.761 -99.200 -91.000 PHE 98 1.000 -10.409 30.963 6.706 -99.200 -91.000 TYR 99 0.840 -13.060 30.261 10.781 -99.200 -91.000 PHE 114 1.000 -6.178 25.800 24.704 -99.200 -91.000 TYR 118 0.840 -18.302 38.524 20.490 -99.200 -91.000 HIS 119 0.900 -10.033 38.060 20.373 -99.200 -91.000 TRP 120 1.040 -13.327 41.562 21.687 -99.200 -91.000 TRP6 120 1.020 -11.507 43.089 21.890 -99.200 -91.000 PHE 124 1.000 -24.789 46.639 10.708 -99.200 -91.000 TRP 132 1.040 -22.160 41.260 22.758 -99.200 -91.000 TRP6 132 1.020 -22.386 38.968 23.359 -99.200 -91.000 TRP 140 1.040 -30.409 36.260 19.015 -99.200 -91.000 TRP6 140 1.020 -30.122 38.595 19.250 -99.200 -91.000 PHE 141 1.000 -21.503 33.041 22.733 -99.200 -91.000 TYR 144 0.840 -20.726 31.755 16.798 -99.200 -91.000 PHE 149 1.000 -19.661 24.389 21.850 -99.200 -91.000 PHE 152 1.000 -15.852 24.490 12.707 -99.200 -91.000 TRP 159 1.040 -14.441 23.825 21.861 -99.200 -91.000 TRP6 159 1.020 -15.198 24.809 19.844 -99.200 -91.000 TRP 166 1.040 -14.165 46.117 32.326 -99.200 -91.000 TRP6 166 1.020 -12.767 47.646 31.188 -99.200 -91.000 HIS 173 0.900 -22.020 47.281 23.989 -99.200 -91.000 TYR 175 0.840 -14.342 53.366 29.125 -99.200 -91.000 HIS 178 0.900 -11.939 48.403 21.430 -99.200 -91.000 TYR 186 0.840 -28.987 53.910 33.625 -99.200 -91.000 PHE 189 1.000 -21.803 48.408 35.002 -99.200 -91.000 HIS 193 0.900 -27.300 39.712 34.501 -99.200 -91.000 HIS 199 0.900 -19.143 31.454 30.494 -99.200 -91.000 PHE 206 1.000 -17.306 22.003 25.408 -99.200 -91.000 PHE 219 1.000 -13.169 36.190 32.955 -99.200 -91.000 TYR 223 0.840 0.629 44.546 40.645 -99.200 -91.000 PHE 224 1.000 -6.242 48.023 37.600 -99.200 -91.000 PHE 235 1.000 -14.890 50.565 40.868 -99.200 -91.000 HIS 237 0.900 -8.531 41.870 41.743 -99.200 -91.000 PHE 239 1.000 -15.986 48.680 35.824 -99.200 -91.000 TYR 242 0.840 -9.337 37.387 39.049 -99.200 -91.000 PHE 245 1.000 -17.154 40.038 32.883 -99.200 -91.000 TYR 250 0.840 -15.0