============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 6.420 14.202 46.000 -99.200 -91.000 TRP6 14 1.020 4.588 12.801 45.494 -99.200 -91.000 TYR 18 0.840 2.724 17.238 48.773 -99.200 -91.000 PHE 32 1.000 -7.130 2.769 41.816 -99.200 -91.000 PHE 33 1.000 -11.253 5.053 43.910 -99.200 -91.000 PHE 36 1.000 -7.632 -0.335 36.114 -99.200 -91.000 TYR 42 0.840 -10.685 -3.525 48.273 -99.200 -91.000 PHE 43 1.000 -11.165 3.666 48.736 -99.200 -91.000 PHE 46 1.000 -14.495 6.762 47.126 -99.200 -91.000 HIS 48 0.900 -22.480 5.268 47.442 -99.200 -91.000 HIS 64 0.900 -7.183 6.347 48.887 -99.200 -91.000 HIS 80 0.900 20.886 10.967 52.630 -99.200 -91.000 HIS 96 0.900 -3.378 0.843 52.450 -99.200 -91.000 HIS 100 0.900 -7.392 0.726 55.150 -99.200 -91.000 TYR 106 0.840 -7.914 -3.989 43.373 -99.200 -91.000 PHE 107 1.000 -1.090 -1.099 48.175 -99.200 -91.000 PHE 122 1.000 3.716 17.825 36.433 -99.200 -91.000 PHE 126 1.000 8.096 10.702 33.640 -99.200 -91.000 TRP 134 1.040 7.130 7.816 39.060 -99.200 -91.000 TRP6 134 1.020 7.229 9.913 40.133 -99.200 -91.000 TYR 142 0.840 3.211 -5.030 43.467 -99.200 -91.000 HIS 144 0.900 10.939 -2.037 50.817 -99.200 -91.000 TYR 149 0.840 -1.385 -6.424 51.468 -99.200 -91.000 TRP 154 1.040 -3.436 -11.140 50.845 -99.200 -91.000 TRP6 154 1.020 -5.140 -9.740 51.701 -99.200 -91.000