============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 6 0.900 0.609 6.837 29.577 -99.200 -91.000 TRP 17 1.040 20.507 -9.364 32.661 -99.200 -91.000 TRP6 17 1.020 20.426 -10.228 34.851 -99.200 -91.000 TYR 23 0.840 22.665 -14.510 37.513 -99.200 -91.000 TYR 28 0.840 19.351 -13.263 40.299 -99.200 -91.000 TYR 30 0.840 10.101 -13.834 34.992 -99.200 -91.000 TRP 43 1.040 16.271 5.864 37.155 -99.200 -91.000 TRP6 43 1.020 16.723 4.117 35.639 -99.200 -91.000 HIS 45 0.900 8.240 11.450 42.093 -99.200 -91.000 TYR 55 0.840 1.954 -6.002 28.614 -99.200 -91.000 HIS 89 0.900 3.449 10.528 50.528 -99.200 -91.000 TRP 90 1.040 5.488 7.626 43.222 -99.200 -91.000 TRP6 90 1.020 6.904 5.831 42.597 -99.200 -91.000 PHE 122 1.000 5.703 8.628 38.506 -99.200 -91.000 HIS 123 0.900 -1.181 10.994 38.424 -99.200 -91.000 TYR 130 0.840 -3.665 -4.073 28.216 -99.200 -91.000 TYR 171 0.840 -8.564 -2.728 31.945 -99.200 -91.000 PHE 193 1.000 2.191 -1.649 27.669 -99.200 -91.000 TRP 196 1.040 -8.714 3.691 21.350 -99.200 -91.000 TRP6 196 1.020 -10.224 3.151 19.633 -99.200 -91.000 TYR 200 0.840 -3.398 8.601 16.423 -99.200 -91.000 TRP 204 1.040 14.601 5.245 22.414 -99.200 -91.000 TRP6 204 1.020 15.556 3.846 24.063 -99.200 -91.000 PHE 205 1.000 11.005 -0.631 19.061 -99.200 -91.000 HIS 209 0.900 18.782 -9.374 26.810 -99.200 -91.000 TRP 210 1.040 13.036 -4.221 33.026 -99.200 -91.000 TRP6 210 1.020 12.821 -1.916 32.519 -99.200 -91.000 PHE 213 1.000 15.890 1.414 30.109 -99.200 -91.000 HIS 215 0.900 19.068 8.527 35.061 -99.200 -91.000 PHE 218 1.000 14.003 7.911 32.189 -99.200 -91.000 TYR 225 0.840 8.704 12.327 23.339 -99.200 -91.000