============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 90.316 -17.198 13.205 -99.200 -91.000 TYR 31 0.840 73.016 -18.504 11.090 -99.200 -91.000 TYR 36 0.840 75.971 -21.037 16.587 -99.200 -91.000 TYR 37 0.840 77.606 -18.629 24.135 -99.200 -91.000 PHE 38 1.000 82.551 -17.284 17.724 -99.200 -91.000 TRP 40 1.040 89.514 -14.376 20.042 -99.200 -91.000 TRP6 40 1.020 87.206 -13.896 19.796 -99.200 -91.000 TYR 42 0.840 96.617 -14.374 29.087 -99.200 -91.000 PHE 54 1.000 84.220 -9.910 29.549 -99.200 -91.000 PHE 63 1.000 70.790 -5.985 31.278 -99.200 -91.000 TYR 86 0.840 55.712 8.395 39.042 -99.200 -91.000 TRP 87 1.040 62.700 13.377 44.340 -99.200 -91.000 TRP6 87 1.020 64.782 13.670 43.264 -99.200 -91.000 TRP 95 1.040 63.385 19.688 38.022 -99.200 -91.000 TRP6 95 1.020 64.164 17.762 36.890 -99.200 -91.000 HIS 102 0.900 59.635 15.643 28.188 -99.200 -91.000 TYR 106 0.840 69.608 9.023 26.790 -99.200 -91.000 PHE 128 1.000 73.161 17.122 39.037 -99.200 -91.000 TYR 129 0.840 68.636 14.878 39.193 -99.200 -91.000 TRP 132 1.040 69.432 20.597 34.499 -99.200 -91.000 TRP6 132 1.020 67.218 20.388 33.701 -99.200 -91.000 TRP 136 1.040 69.065 23.413 23.989 -99.200 -91.000 TRP6 136 1.020 70.606 21.736 24.643 -99.200 -91.000 TYR 144 0.840 74.558 8.241 26.222 -99.200 -91.000 PHE 152 1.000 62.205 5.514 32.807 -99.200 -91.000 PHE 164 1.000 67.817 0.462 38.619 -99.200 -91.000 PHE 173 1.000 70.150 -8.053 36.359 -99.200 -91.000 HIS 180 0.900 76.886 -17.412 36.940 -99.200 -91.000 TRP 182 1.040 76.293 -11.330 39.796 -99.200 -91.000 TRP6 182 1.020 74.938 -12.098 41.584 -99.200 -91.000 TYR 193 0.840 84.226 -6.786 38.669 -99.200 -91.000 TRP 195 1.040 91.553 -7.043 38.339 -99.200 -91.000 TRP6 195 1.020 91.456 -5.138 39.738 -99.200 -91.000 TYR 197 0.840 94.096 -5.493 32.475 -99.200 -91.000 HIS 201 0.900 87.444 -4.640 38.878 -99.200 -91.000 TYR 212 0.840 78.200 4.715 36.053 -99.200 -91.000 TRP 224 1.040 70.013 -7.525 27.619 -99.200 -91.000 TRP6 224 1.020 67.988 -7.241 28.806 -99.200 -91.000 TYR 250 0.840 59.106 5.491 23.728 -99.200 -91.000 TRP 251 1.040 61.805 11.557 22.085 -99.200 -91.000 TRP6 251 1.020 60.637 13.625 21.957 -99.200 -91.000 TYR 257 0.840 63.303 5.942 13.595 -99.200 -91.000 TRP 262 1.040 67.249 -2.489 23.995 -99.200 -91.000 TRP6 262 1.020 69.391 -3.423 23.622 -99.200 -91.000 TRP 267 1.040 68.100 -5.382 8.026 -99.200 -91.000 TRP6 267 1.020 70.437 -5.506 8.320 -99.200 -91.000 TRP 303 1.040 72.386 -1.981 13.850 -99.200 -91.000 TRP6 303 1.020 73.702 -3.685 12.859 -99.200 -91.000 HIS 305 0.900 73.213 1.055 17.425 -99.200 -91.000 PHE 313 1.000 85.842 -4.285 32.072 -99.200 -91.000 TYR 316 0.840 77.641 -2.169 18.738 -99.200 -91.000 PHE 319 1.000 68.373 -6.599 19.786 -99.200 -91.000 TYR 335 0.840 87.035 -2.328 21.275 -99.200 -91.000 TRP 345 1.040 77.983 -3.498 7.901 -99.200 -91.000 TRP6 345 1.020 75.653 -3.447 7.446 -99.200 -91.000