============================================================================= 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 14 0.900 60.980 15.670 42.292 -99.200 -91.000 TYR 23 0.840 60.923 14.689 35.598 -99.200 -91.000 TYR 33 0.840 63.823 1.003 41.152 -99.200 -91.000 PHE 36 1.000 54.399 -7.876 37.314 -99.200 -91.000 HIS 52 0.900 51.312 -14.074 48.795 -99.200 -91.000 HIS 59 0.900 48.536 -7.454 54.654 -99.200 -91.000 PHE 63 1.000 61.414 0.008 53.342 -99.200 -91.000 HIS 65 0.900 61.366 5.776 55.130 -99.200 -91.000 PHE 66 1.000 56.995 3.268 56.185 -99.200 -91.000 PHE 105 1.000 67.666 -7.804 29.580 -99.200 -91.000 HIS 106 0.900 67.313 -16.032 26.768 -99.200 -91.000 TYR 118 0.840 53.229 -0.907 36.053 -99.200 -91.000 PHE 121 1.000 52.258 -4.613 42.605 -99.200 -91.000 HIS 123 0.900 41.915 -2.031 40.545 -99.200 -91.000 PHE 124 1.000 44.140 -6.932 42.486 -99.200 -91.000 TRP 154 1.040 59.524 17.725 52.783 -99.200 -91.000 TRP6 154 1.020 57.465 18.188 53.841 -99.200 -91.000 TYR 157 0.840 53.074 12.274 55.473 -99.200 -91.000 PHE 166 1.000 54.804 -2.627 31.322 -99.200 -91.000 PHE 174 1.000 64.917 6.898 46.307 -99.200 -91.000 PHE 180 1.000 66.411 -1.525 56.599 -99.200 -91.000 HIS 182 0.900 64.427 -4.576 53.541 -99.200 -91.000 PHE 184 1.000 61.016 -8.260 51.054 -99.200 -91.000