============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 1 0.840 78.296 27.656 2.441 -99.200 -91.000 HIS 2 0.900 74.146 36.136 6.248 -99.200 -91.000 HIS 9 0.900 60.921 28.243 20.208 -99.200 -91.000 TRP 16 1.040 81.813 32.172 7.776 -99.200 -91.000 TRP6 16 1.020 81.453 30.397 6.263 -99.200 -91.000 TYR 19 0.840 72.014 35.389 13.211 -99.200 -91.000 PHE 23 1.000 61.753 36.357 18.433 -99.200 -91.000 PHE 37 1.000 77.268 12.961 4.353 -99.200 -91.000 HIS 40 0.900 69.636 24.959 3.188 -99.200 -91.000 HIS 75 0.900 72.736 17.382 23.840 -99.200 -91.000 TYR 105 0.840 82.625 18.985 23.636 -99.200 -91.000 PHE 122 1.000 67.497 3.996 19.857 -99.200 -91.000 HIS 144 0.900 66.392 -1.774 15.952 -99.200 -91.000 PHE 153 1.000 60.475 6.823 8.033 -99.200 -91.000 TYR 158 0.840 55.357 15.025 -6.655 -99.200 -91.000 PHE 173 1.000 55.796 1.303 12.504 -99.200 -91.000 TRP 184 1.040 62.524 18.045 -1.362 -99.200 -91.000 TRP6 184 1.020 63.536 15.985 -1.934 -99.200 -91.000 HIS 193 0.900 48.018 2.859 19.897 -99.200 -91.000