============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 7 0.840 -29.081 101.163 -18.978 -99.200 -91.000 TYR 21 0.840 -21.009 91.698 0.451 -99.200 -91.000 TYR 38 0.840 -13.276 97.256 -8.856 -99.200 -91.000 TRP 41 1.040 -10.534 104.439 -12.635 -99.200 -91.000 TRP6 41 1.020 -8.989 102.651 -12.591 -99.200 -91.000 HIS 42 0.900 -16.957 99.722 -11.490 -99.200 -91.000 TYR 45 0.840 -19.644 103.388 -16.957 -99.200 -91.000 PHE 52 1.000 -22.421 111.825 -22.045 -99.200 -91.000 PHE 57 1.000 -28.383 108.938 -11.159 -99.200 -91.000 PHE 68 1.000 -32.737 90.521 -2.279 -99.200 -91.000 TYR 73 0.840 -22.296 86.716 0.944 -99.200 -91.000 TYR 76 0.840 -16.721 88.051 -2.678 -99.200 -91.000 PHE 89 1.000 -4.390 82.448 -20.953 -99.200 -91.000 PHE 116 1.000 -1.612 90.997 -15.507 -99.200 -91.000 HIS 118 0.900 5.087 93.873 -22.788 -99.200 -91.000 TYR 121 0.840 -10.499 94.012 -21.626 -99.200 -91.000 TYR 126 0.840 -26.910 93.811 -29.990 -99.200 -91.000 PHE 159 1.000 -10.968 98.900 -34.138 -99.200 -91.000 TYR 166 0.840 -10.804 100.217 -24.041 -99.200 -91.000 TYR 203 0.840 -29.709 88.424 -21.545 -99.200 -91.000 HIS 205 0.900 -33.275 82.688 -30.592 -99.200 -91.000 PHE 220 1.000 -8.434 84.589 -31.329 -99.200 -91.000 HIS 222 0.900 -1.733 79.324 -25.069 -99.200 -91.000 TRP 225 1.040 -15.793 81.521 -24.335 -99.200 -91.000 TRP6 225 1.020 -15.878 81.707 -26.687 -99.200 -91.000 TYR 228 0.840 -22.217 84.614 -13.719 -99.200 -91.000 PHE 240 1.000 -32.869 80.385 -10.823 -99.200 -91.000 TYR 262 0.840 -26.801 74.212 -24.198 -99.200 -91.000 TYR 268 0.840 -22.945 77.613 -20.067 -99.200 -91.000 TRP 272 1.040 -17.073 77.020 -24.915 -99.200 -91.000 TRP6 272 1.020 -19.103 77.530 -23.822 -99.200 -91.000 TRP 284 1.040 -23.347 75.737 -2.245 -99.200 -91.000 TRP6 284 1.020 -23.659 77.277 -0.480 -99.200 -91.000 PHE 287 1.000 -19.829 81.280 0.386 -99.200 -91.000 PHE 304 1.000 -24.852 87.053 10.136 -99.200 -91.000 HIS 317 0.900 -31.288 76.866 -9.728 -99.200 -91.000 TYR 318 0.840 -27.260 83.413 -11.738 -99.200 -91.000 TRP 325 1.040 -8.401 77.223 -28.042 -99.200 -91.000 TRP6 325 1.020 -9.938 78.528 -26.810 -99.200 -91.000 HIS 326 0.900 -0.577 75.493 -26.692 -99.200 -91.000 HIS 327 0.900 -6.884 74.721 -31.879 -99.200 -91.000