============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 8 0.900 38.459 36.683 -3.530 -99.200 -91.000 TYR 12 0.840 21.332 28.077 -4.555 -99.200 -91.000 HIS 20 0.900 9.644 32.654 -14.054 -99.200 -91.000 HIS 21 0.900 12.269 27.639 -8.481 -99.200 -91.000 PHE 22 1.000 14.228 34.363 -8.508 -99.200 -91.000 TYR 33 0.840 37.929 46.335 8.135 -99.200 -91.000 PHE 51 1.000 11.600 38.504 -11.297 -99.200 -91.000 PHE 53 1.000 19.465 40.683 -11.219 -99.200 -91.000 PHE 60 1.000 21.575 38.959 -6.441 -99.200 -91.000 PHE 64 1.000 32.385 42.846 1.313 -99.200 -91.000 HIS 67 0.900 29.160 49.694 10.161 -99.200 -91.000 PHE 74 1.000 23.848 42.875 14.961 -99.200 -91.000 PHE 75 1.000 25.158 44.700 9.736 -99.200 -91.000 PHE 79 1.000 31.200 37.727 9.369 -99.200 -91.000 PHE 83 1.000 25.656 39.740 8.761 -99.200 -91.000 TRP 85 1.040 20.385 40.154 4.735 -99.200 -91.000 TRP6 85 1.020 18.659 40.144 3.106 -99.200 -91.000 TYR 91 0.840 9.308 47.322 -5.048 -99.200 -91.000 TYR 112 0.840 27.064 37.569 1.218 -99.200 -91.000 PHE 121 1.000 6.997 42.853 -6.960 -99.200 -91.000 TRP 135 1.040 17.240 49.567 -6.871 -99.200 -91.000 TRP6 135 1.020 15.031 49.876 -6.049 -99.200 -91.000 TYR 143 0.840 15.036 50.938 14.770 -99.200 -91.000 HIS 164 0.900 12.939 59.008 -9.531 -99.200 -91.000 TYR 173 0.840 20.095 44.566 8.833 -99.200 -91.000 TYR 188 0.840 24.825 52.039 12.418 -99.200 -91.000 TYR 189 0.840 20.696 58.444 11.181 -99.200 -91.000 TYR 205 0.840 27.683 38.843 -16.041 -99.200 -91.000 HIS 209 0.900 31.266 49.497 -6.777 -99.200 -91.000 TYR 216 0.840 27.477 57.375 15.984 -99.200 -91.000