============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 30 0.900 34.996 -53.893 43.374 -99.200 -91.000 TYR 36 0.840 34.903 -48.823 40.341 -99.200 -91.000 TYR 38 0.840 34.327 -40.507 38.566 -99.200 -91.000 TRP 39 1.040 43.199 -37.644 38.842 -99.200 -91.000 TRP6 39 1.020 44.297 -36.352 40.505 -99.200 -91.000 PHE 40 1.000 34.983 -35.002 39.557 -99.200 -91.000 TYR 53 0.840 36.195 -42.038 31.725 -99.200 -91.000 PHE 66 1.000 44.599 -31.400 30.959 -99.200 -91.000 PHE 75 1.000 45.157 -44.111 42.642 -99.200 -91.000 TYR 90 0.840 44.041 -29.428 37.328 -99.200 -91.000 TYR 91 0.840 38.686 -29.665 44.560 -99.200 -91.000 HIS 95 0.900 34.054 -43.807 41.093 -99.200 -91.000 TYR 98 0.840 27.553 -45.412 48.171 -99.200 -91.000 PHE 100 1.000 30.293 -42.710 46.041 -99.200 -91.000 PHE 102 1.000 34.416 -34.552 46.004 -99.200 -91.000 PHE 122 1.000 37.271 4.101 36.085 -99.200 -91.000 PHE 130 1.000 37.936 -1.177 38.015 -99.200 -91.000 PHE 134 1.000 48.292 -6.993 39.621 -99.200 -91.000 TYR 135 0.840 53.352 -13.579 37.142 -99.200 -91.000 TRP 143 1.040 43.203 4.230 47.326 -99.200 -91.000 TRP6 143 1.020 41.983 5.357 45.650 -99.200 -91.000 TRP 158 1.040 44.733 -8.813 45.248 -99.200 -91.000 TRP6 158 1.020 43.860 -7.890 47.237 -99.200 -91.000 TYR 168 0.840 47.925 -13.861 39.800 -99.200 -91.000 HIS 180 0.900 41.219 16.774 51.569 -99.200 -91.000 TYR 183 0.840 39.531 12.891 46.099 -99.200 -91.000 PHE 195 1.000 39.335 11.805 40.887 -99.200 -91.000