============================================================================= 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. TYR 36 0.840 -10.752 48.403 -0.569 -99.200 -91.000 PHE 43 1.000 -1.016 33.894 -6.004 -99.200 -91.000 HIS 44 0.900 -2.856 30.920 -1.701 -99.200 -91.000 HIS 61 0.900 -11.658 54.052 0.497 -99.200 -91.000 PHE 89 1.000 7.305 50.907 -9.005 -99.200 -91.000 HIS 93 0.900 1.755 55.193 -2.169 -99.200 -91.000 HIS 94 0.900 5.923 61.769 -4.989 -99.200 -91.000 TYR 103 0.840 9.894 56.572 20.328 -99.200 -91.000 PHE 118 1.000 18.481 58.262 11.802 -99.200 -91.000 TYR 129 0.840 16.025 48.386 -4.626 -99.200 -91.000 PHE 154 1.000 7.638 64.109 -12.141 -99.200 -91.000 PHE 164 1.000 17.093 71.250 1.182 -99.200 -91.000 HIS 173 0.900 22.822 68.178 9.412 -99.200 -91.000 HIS 178 0.900 23.483 58.754 -5.299 -99.200 -91.000 PHE 185 1.000 27.481 59.262 -16.239 -99.200 -91.000 TRP 190 1.040 19.667 61.227 -6.190 -99.200 -91.000 TRP6 190 1.020 18.012 61.557 -4.571 -99.200 -91.000 TYR 201 0.840 13.479 74.567 2.079 -99.200 -91.000 TYR 208 0.840 27.624 62.980 -0.784 -99.200 -91.000 HIS 210 0.900 31.023 59.360 -1.302 -99.200 -91.000 HIS 217 0.900 30.003 59.568 10.347 -99.200 -91.000 PHE 225 1.000 23.278 60.246 9.947 -99.200 -91.000 PHE 234 1.000 23.535 54.219 -2.874 -99.200 -91.000 PHE 267 1.000 0.625 57.564 5.946 -99.200 -91.000 HIS 271 0.900 5.020 44.348 11.989 -99.200 -91.000 HIS 298 0.900 -0.048 62.515 3.732 -99.200 -91.000 HIS 302 0.900 -0.606 68.594 11.498 -99.200 -91.000 HIS 315 0.900 3.388 49.495 25.121 -99.200 -91.000