============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 12 0.900 16.798 64.451 -2.806 -99.200 -91.000 PHE 38 1.000 27.967 50.463 -13.020 -99.200 -91.000 PHE 42 1.000 35.336 58.610 -7.410 -99.200 -91.000 TRP 47 1.040 40.691 59.631 -4.084 -99.200 -91.000 TRP6 47 1.020 41.558 57.433 -4.109 -99.200 -91.000 TRP 52 1.040 38.102 62.481 -10.934 -99.200 -91.000 TRP6 52 1.020 38.441 62.494 -13.267 -99.200 -91.000 TYR 63 0.840 20.061 55.866 -18.118 -99.200 -91.000 HIS 64 0.900 27.581 50.108 -23.008 -99.200 -91.000 PHE 81 1.000 18.053 56.389 -11.551 -99.200 -91.000 HIS 93 0.900 9.779 51.229 -23.643 -99.200 -91.000 PHE 98 1.000 12.328 50.789 -19.369 -99.200 -91.000 HIS 126 0.900 36.878 55.243 -3.392 -99.200 -91.000 HIS 129 0.900 31.382 58.007 -3.697 -99.200 -91.000 PHE 163 1.000 10.564 57.927 12.540 -99.200 -91.000 TRP 174 1.040 4.172 47.356 -3.937 -99.200 -91.000 TRP6 174 1.020 5.456 48.467 -5.574 -99.200 -91.000 HIS 178 0.900 2.939 46.301 -8.760 -99.200 -91.000