============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 11 0.900 -5.815 5.669 23.451 -99.200 -91.000 TYR 13 0.840 -2.093 3.742 13.046 -99.200 -91.000 TYR 16 0.840 3.113 7.198 15.047 -99.200 -91.000 PHE 20 1.000 4.590 11.589 17.316 -99.200 -91.000 PHE 41 1.000 15.940 22.523 -4.243 -99.200 -91.000 TYR 44 0.840 23.365 18.876 -5.430 -99.200 -91.000 PHE 58 1.000 14.941 25.071 4.570 -99.200 -91.000 HIS 60 0.900 18.003 28.865 9.825 -99.200 -91.000 PHE 76 1.000 23.758 22.277 16.935 -99.200 -91.000 PHE 81 1.000 11.333 26.051 15.509 -99.200 -91.000 TYR 93 0.840 2.164 8.313 21.293 -99.200 -91.000 PHE 100 1.000 3.592 10.438 30.905 -99.200 -91.000 TYR 114 0.840 17.150 10.095 32.610 -99.200 -91.000 HIS 117 0.900 17.137 14.555 23.139 -99.200 -91.000 TYR 121 0.840 18.828 10.783 18.583 -99.200 -91.000 PHE 141 1.000 16.804 12.665 0.570 -99.200 -91.000 PHE 146 1.000 24.972 20.541 2.479 -99.200 -91.000 PHE 154 1.000 28.481 22.854 14.194 -99.200 -91.000 PHE 157 1.000 26.461 17.519 16.812 -99.200 -91.000 PHE 162 1.000 21.822 10.330 7.258 -99.200 -91.000 PHE 164 1.000 18.342 3.667 15.401 -99.200 -91.000 PHE 168 1.000 13.836 1.257 14.433 -99.200 -91.000 PHE 181 1.000 10.903 0.695 19.851 -99.200 -91.000 HIS 219 0.900 5.952 -6.387 10.674 -99.200 -91.000 PHE 226 1.000 8.109 -8.135 22.429 -99.200 -91.000 HIS 243 0.900 22.804 15.007 19.550 -99.200 -91.000 HIS 260 0.900 13.758 26.227 23.670 -99.200 -91.000 TYR 267 0.840 20.584 16.771 25.210 -99.200 -91.000