============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 9.051 16.960 3.119 -99.200 -91.000 HIS 41 0.900 -1.367 17.926 2.687 -99.200 -91.000 HIS 49 0.900 -10.366 10.744 10.764 -99.200 -91.000 TYR 55 0.840 -8.659 4.799 25.536 -99.200 -91.000 TYR 66 0.840 12.701 19.109 1.761 -99.200 -91.000 PHE 81 1.000 13.684 6.570 -6.287 -99.200 -91.000 TRP 92 1.040 15.363 -5.415 -3.229 -99.200 -91.000 TRP6 92 1.020 16.088 -5.888 -1.035 -99.200 -91.000 HIS 111 0.900 15.494 21.504 2.118 -99.200 -91.000 PHE 120 1.000 18.592 10.230 18.071 -99.200 -91.000 HIS 136 0.900 27.878 13.000 11.170 -99.200 -91.000 HIS 138 0.900 25.980 16.005 1.880 -99.200 -91.000 TYR 160 0.840 8.207 -14.600 15.591 -99.200 -91.000 TYR 161 0.840 12.847 -15.928 11.116 -99.200 -91.000 HIS 176 0.900 24.565 -8.090 21.014 -99.200 -91.000 HIS 181 0.900 19.418 -3.768 7.104 -99.200 -91.000 TYR 191 0.840 29.349 -11.370 21.714 -99.200 -91.000 PHE 201 1.000 17.829 -22.869 26.023 -99.200 -91.000 PHE 216 1.000 23.340 -18.000 12.767 -99.200 -91.000 HIS 230 0.900 2.855 -6.823 -0.007 -99.200 -91.000 TYR 234 0.840 4.412 -2.603 4.234 -99.200 -91.000 TYR 248 0.840 16.357 12.276 21.435 -99.200 -91.000 TYR 266 0.840 33.252 -3.136 16.943 -99.200 -91.000 HIS 268 0.900 37.150 -1.330 10.276 -99.200 -91.000 PHE 272 1.000 27.629 7.458 10.589 -99.200 -91.000 PHE 300 1.000 32.439 -4.355 13.013 -99.200 -91.000