============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 1.948 3.309 6.905 -99.200 -91.000 TYR 21 0.840 6.521 1.840 17.766 -99.200 -91.000 PHE 35 1.000 13.906 0.023 14.773 -99.200 -91.000 PHE 41 1.000 15.364 -0.601 24.517 -99.200 -91.000 PHE 47 1.000 8.959 0.678 39.745 -99.200 -91.000 HIS 71 0.900 0.355 7.660 59.683 -99.200 -91.000 TYR 72 0.840 5.152 9.661 53.744 -99.200 -91.000 TYR 80 0.840 9.637 14.000 40.498 -99.200 -91.000 HIS 87 0.900 -0.051 15.421 51.012 -99.200 -91.000 PHE 126 1.000 1.135 -8.795 39.694 -99.200 -91.000 HIS 128 0.900 8.442 -17.002 37.134 -99.200 -91.000 HIS 133 0.900 8.309 -17.371 33.403 -99.200 -91.000 TRP 140 1.040 14.098 -1.561 47.352 -99.200 -91.000 TRP6 140 1.020 12.058 -1.627 48.532 -99.200 -91.000 TRP 185 1.040 -4.914 5.601 40.589 -99.200 -91.000 TRP6 185 1.020 -4.637 3.469 41.574 -99.200 -91.000 TRP 204 1.040 -7.122 10.529 18.752 -99.200 -91.000 TRP6 204 1.020 -5.794 8.725 17.979 -99.200 -91.000 PHE 205 1.000 -8.438 6.033 27.633 -99.200 -91.000 TYR 237 0.840 10.541 0.810 28.038 -99.200 -91.000 HIS 262 0.900 1.679 7.247 7.944 -99.200 -91.000 TRP 263 1.040 -5.618 4.724 15.074 -99.200 -91.000 TRP6 263 1.020 -4.311 4.421 17.019 -99.200 -91.000