============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 -15.021 -5.718 5.370 -99.200 -91.000 TRP 13 1.040 -10.174 -6.665 15.894 -99.200 -91.000 TRP6 13 1.020 -12.363 -7.173 16.608 -99.200 -91.000 TYR 14 0.840 -14.367 -13.758 16.662 -99.200 -91.000 TYR 17 0.840 -6.720 -7.033 19.704 -99.200 -91.000 TRP 24 1.040 -24.953 -15.260 22.703 -99.200 -91.000 TRP6 24 1.020 -25.625 -14.025 24.595 -99.200 -91.000 TYR 31 0.840 -34.267 -23.383 22.925 -99.200 -91.000 TRP 34 1.040 -35.618 -18.169 17.641 -99.200 -91.000 TRP6 34 1.020 -36.778 -19.235 19.384 -99.200 -91.000 TYR 51 0.840 -34.309 -10.192 31.864 -99.200 -91.000 PHE 52 1.000 -28.643 -17.834 26.194 -99.200 -91.000 PHE 55 1.000 -37.171 -16.445 28.565 -99.200 -91.000 PHE 59 1.000 -39.581 -21.586 29.269 -99.200 -91.000 HIS 75 0.900 -43.002 -13.996 36.510 -99.200 -91.000 TRP 77 1.040 -39.408 -10.188 26.693 -99.200 -91.000 TRP6 77 1.020 -37.986 -11.521 25.389 -99.200 -91.000 TYR 82 0.840 -38.218 -1.877 22.489 -99.200 -91.000 TYR 83 0.840 -43.030 -6.982 28.044 -99.200 -91.000 HIS 90 0.900 -45.788 -19.652 24.116 -99.200 -91.000 HIS 100 0.900 -40.016 -26.990 10.522 -99.200 -91.000 PHE 104 1.000 -34.707 -22.989 15.634 -99.200 -91.000 PHE 108 1.000 -32.517 -17.056 4.472 -99.200 -91.000 HIS 133 0.900 -20.773 -22.117 3.128 -99.200 -91.000 PHE 134 1.000 -28.029 -18.990 4.023 -99.200 -91.000 TYR 149 0.840 -16.398 -2.049 1.040 -99.200 -91.000 TRP 154 1.040 -33.675 6.034 6.220 -99.200 -91.000 TRP6 154 1.020 -35.967 5.697 5.732 -99.200 -91.000 TRP 165 1.040 -30.045 -7.427 2.858 -99.200 -91.000 TRP6 165 1.020 -29.371 -9.091 4.402 -99.200 -91.000 PHE 180 1.000 -16.903 -11.087 7.639 -99.200 -91.000 TRP 216 1.040 -16.883 9.951 12.401 -99.200 -91.000 TRP6 216 1.020 -18.749 10.566 13.729 -99.200 -91.000 TYR 219 0.840 -20.149 7.841 4.046 -99.200 -91.000