============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 5 1.040 -40.862 38.608 -39.138 -99.200 -91.000 TRP6 5 1.020 -41.438 40.888 -38.848 -99.200 -91.000 TRP 14 1.040 -29.063 42.580 -47.518 -99.200 -91.000 TRP6 14 1.020 -30.582 42.199 -49.288 -99.200 -91.000 PHE 19 1.000 -17.834 34.661 -34.081 -99.200 -91.000 TRP 37 1.040 -14.429 47.440 -51.205 -99.200 -91.000 TRP6 37 1.020 -13.025 48.536 -49.651 -99.200 -91.000 HIS 43 0.900 -21.766 51.798 -32.722 -99.200 -91.000 TYR 47 0.840 -18.557 54.114 -27.499 -99.200 -91.000 TRP 49 1.040 -19.962 50.899 -24.203 -99.200 -91.000 TRP6 49 1.020 -21.566 50.783 -25.945 -99.200 -91.000 PHE 53 1.000 -12.880 44.611 -31.214 -99.200 -91.000 HIS 65 0.900 -32.021 30.879 -40.635 -99.200 -91.000 TYR 70 0.840 -17.907 26.133 -39.767 -99.200 -91.000 TYR 84 0.840 -9.230 51.220 -45.846 -99.200 -91.000 HIS 86 0.900 -16.151 60.168 -42.361 -99.200 -91.000 TYR 89 0.840 -16.769 56.817 -34.576 -99.200 -91.000 TRP 91 1.040 -14.011 58.123 -29.696 -99.200 -91.000 TRP6 91 1.020 -13.386 58.258 -27.423 -99.200 -91.000 PHE 110 1.000 -21.283 38.081 -55.149 -99.200 -91.000 TYR 113 0.840 -28.777 29.488 -48.738 -99.200 -91.000 HIS 115 0.900 -26.877 38.709 -55.446 -99.200 -91.000 TYR 133 0.840 -42.675 56.449 -48.699 -99.200 -91.000 TRP 140 1.040 -27.688 36.217 -36.377 -99.200 -91.000 TRP6 140 1.020 -26.498 37.059 -38.244 -99.200 -91.000 TRP 147 1.040 -28.972 38.847 -18.633 -99.200 -91.000 TRP6 147 1.020 -27.726 37.436 -17.206 -99.200 -91.000 PHE 184 1.000 -32.407 56.592 -42.116 -99.200 -91.000 PHE 188 1.000 -43.738 49.601 -35.913 -99.200 -91.000 PHE 207 1.000 -34.439 51.687 -42.333 -99.200 -91.000 PHE 213 1.000 -40.203 54.412 -58.268 -99.200 -91.000 TRP 217 1.040 -34.896 43.593 -51.280 -99.200 -91.000 TRP6 217 1.020 -36.263 43.970 -49.391 -99.200 -91.000 TYR 218 0.840 -31.578 50.872 -54.690 -99.200 -91.000 TYR 235 0.840 -39.560 58.394 -32.501 -99.200 -91.000 PHE 237 1.000 -30.914 58.673 -32.067 -99.200 -91.000 TYR 238 0.840 -32.063 52.712 -38.059 -99.200 -91.000 HIS 240 0.900 -29.281 60.082 -45.771 -99.200 -91.000 PHE 242 1.000 -27.213 60.356 -52.075 -99.200 -91.000 TRP 247 1.040 -14.934 58.046 -45.776 -99.200 -91.000 TRP6 247 1.020 -15.689 55.982 -44.906 -99.200 -91.000 PHE 255 1.000 -8.795 48.432 -53.617 -99.200 -91.000