============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 -9.414 35.208 68.374 -99.200 -91.000 PHE 29 1.000 -10.608 34.808 62.085 -99.200 -91.000 PHE 32 1.000 -8.967 40.596 68.815 -99.200 -91.000 HIS 35 0.900 0.831 39.817 63.298 -99.200 -91.000 TRP 36 1.040 -0.607 32.578 58.383 -99.200 -91.000 TRP6 36 1.020 -0.640 30.384 59.254 -99.200 -91.000 TRP 47 1.040 5.091 39.402 60.696 -99.200 -91.000 TRP6 47 1.020 5.160 40.605 58.665 -99.200 -91.000 TYR 50 0.840 -1.711 42.871 60.567 -99.200 -91.000 TYR 58 0.840 1.448 46.002 56.964 -99.200 -91.000 TYR 59 0.840 1.407 38.988 51.429 -99.200 -91.000 PHE 67 1.000 5.305 31.659 51.719 -99.200 -91.000 PHE 79 1.000 -8.515 29.567 54.796 -99.200 -91.000 TYR 93 0.840 5.556 28.155 57.170 -99.200 -91.000 TYR 94 0.840 4.985 27.790 65.770 -99.200 -91.000 TYR 100 0.840 2.968 38.303 67.534 -99.200 -91.000 TYR 101 0.840 -4.963 35.926 75.186 -99.200 -91.000 TYR 107 0.840 -6.766 16.789 74.207 -99.200 -91.000 TRP 108 1.040 -2.427 19.026 66.493 -99.200 -91.000 TRP6 108 1.020 -4.657 18.726 65.746 -99.200 -91.000 TYR 126 0.840 13.277 -2.251 63.735 -99.200 -91.000 TYR 149 0.840 10.897 9.468 61.288 -99.200 -91.000 PHE 150 1.000 11.985 13.441 53.927 -99.200 -91.000 TRP 158 1.040 6.465 5.455 75.604 -99.200 -91.000 TRP6 158 1.020 7.500 3.376 75.200 -99.200 -91.000 HIS 168 0.900 13.686 11.331 79.772 -99.200 -91.000 PHE 170 1.000 16.282 10.338 74.444 -99.200 -91.000 TYR 179 0.840 13.871 13.737 59.566 -99.200 -91.000 TRP 192 1.040 7.680 -4.560 80.509 -99.200 -91.000 TRP6 192 1.020 9.757 -5.607 80.173 -99.200 -91.000 HIS 203 0.900 6.102 9.018 58.342 -99.200 -91.000