============================================================================= 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. HIS 10 0.900 -53.032 -2.990 73.383 -99.200 -91.000 TYR 14 0.840 -42.128 -3.947 67.316 -99.200 -91.000 TRP 35 1.040 -34.856 10.979 69.665 -99.200 -91.000 TRP6 35 1.020 -34.564 12.501 67.888 -99.200 -91.000 HIS 41 0.900 -43.366 7.512 51.688 -99.200 -91.000 HIS 55 0.900 -55.090 -4.591 67.960 -99.200 -91.000 PHE 73 1.000 -33.679 16.457 64.399 -99.200 -91.000 TYR 75 0.840 -30.114 9.763 54.773 -99.200 -91.000 TYR 78 0.840 -37.265 11.744 50.717 -99.200 -91.000 TYR 101 0.840 -50.285 -3.201 78.455 -99.200 -91.000 HIS 106 0.900 -33.463 -2.053 72.424 -99.200 -91.000 TRP 125 1.040 -53.273 0.354 63.249 -99.200 -91.000 TRP6 125 1.020 -51.168 0.623 64.312 -99.200 -91.000 HIS 129 0.900 -58.008 -9.095 47.608 -99.200 -91.000 TRP 134 1.040 -57.215 4.923 56.650 -99.200 -91.000 TRP6 134 1.020 -58.646 5.533 58.430 -99.200 -91.000 HIS 156 0.900 -39.898 -9.324 40.588 -99.200 -91.000 TYR 157 0.840 -40.506 -2.359 42.617 -99.200 -91.000 PHE 159 1.000 -31.853 -1.700 35.692 -99.200 -91.000 PHE 193 1.000 -36.078 -0.637 62.766 -99.200 -91.000 PHE 199 1.000 -40.300 2.173 46.267 -99.200 -91.000 TYR 214 0.840 -40.425 -3.665 53.270 -99.200 -91.000 HIS 221 0.900 -29.883 4.314 54.796 -99.200 -91.000 TRP 224 1.040 -29.133 11.325 59.336 -99.200 -91.000 TRP6 224 1.020 -31.409 10.703 59.444 -99.200 -91.000