============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 -38.491 -1.546 15.492 -99.200 -91.000 TRP6 23 1.020 -40.142 -0.089 14.626 -99.200 -91.000 TRP 25 1.040 -43.106 -5.573 12.450 -99.200 -91.000 TRP6 25 1.020 -44.409 -4.059 13.716 -99.200 -91.000 PHE 35 1.000 -24.121 -16.623 8.361 -99.200 -91.000 HIS 36 0.900 -29.996 -12.053 10.214 -99.200 -91.000 PHE 37 1.000 -31.298 -17.390 5.411 -99.200 -91.000 TRP 47 1.040 -49.480 -18.464 6.849 -99.200 -91.000 TRP6 47 1.020 -48.934 -19.339 4.719 -99.200 -91.000 HIS 53 0.900 -33.054 -10.619 -2.019 -99.200 -91.000 PHE 67 1.000 -31.905 -5.074 21.530 -99.200 -91.000 PHE 85 1.000 -47.031 -22.070 0.525 -99.200 -91.000 TYR 90 0.840 -36.791 -13.398 -7.324 -99.200 -91.000 PHE 110 1.000 -48.748 -12.991 16.922 -99.200 -91.000 PHE 126 1.000 -49.068 2.723 2.575 -99.200 -91.000 TRP 137 1.040 -30.525 -8.331 14.627 -99.200 -91.000 TRP6 137 1.020 -32.718 -9.213 14.461 -99.200 -91.000 TYR 142 0.840 -19.923 -3.115 0.563 -99.200 -91.000 TYR 165 0.840 -27.833 5.926 -8.412 -99.200 -91.000 TRP 166 1.040 -31.494 2.601 -7.956 -99.200 -91.000 TRP6 166 1.020 -29.458 1.403 -8.081 -99.200 -91.000 TRP 201 1.040 -45.399 1.236 13.861 -99.200 -91.000 TRP6 201 1.020 -44.043 2.837 12.768 -99.200 -91.000 TRP 209 1.040 -33.324 -4.150 -6.358 -99.200 -91.000 TRP6 209 1.020 -32.387 -2.422 -7.683 -99.200 -91.000 TYR 222 0.840 -36.549 -0.493 1.148 -99.200 -91.000 TRP 231 1.040 -48.201 -14.737 -4.653 -99.200 -91.000 TRP6 231 1.020 -46.680 -14.790 -2.843 -99.200 -91.000