============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 2 0.840 47.137 -4.520 39.931 -99.200 -91.000 TYR 15 0.840 48.952 8.259 26.725 -99.200 -91.000 TYR 18 0.840 54.004 6.939 35.631 -99.200 -91.000 PHE 29 1.000 60.245 -5.311 32.251 -99.200 -91.000 HIS 30 0.900 60.960 -4.444 36.310 -99.200 -91.000 TYR 35 0.840 52.404 -17.973 37.176 -99.200 -91.000 PHE 43 1.000 49.914 -17.280 32.458 -99.200 -91.000 TRP 52 1.040 39.147 -3.375 15.228 -99.200 -91.000 TRP6 52 1.020 37.098 -4.036 16.197 -99.200 -91.000 PHE 79 1.000 50.043 8.111 15.687 -99.200 -91.000 PHE 84 1.000 41.040 -4.596 1.839 -99.200 -91.000 HIS 86 0.900 44.054 -7.624 8.692 -99.200 -91.000 HIS 87 0.900 40.196 1.056 12.326 -99.200 -91.000 TYR 89 0.840 49.157 -2.682 17.327 -99.200 -91.000 HIS 91 0.900 45.803 -9.957 17.363 -99.200 -91.000 TYR 93 0.840 50.967 -6.241 20.723 -99.200 -91.000 PHE 96 1.000 50.875 -13.356 29.668 -99.200 -91.000 TRP 100 1.040 64.605 -9.045 29.681 -99.200 -91.000 TRP6 100 1.020 66.674 -9.961 30.361 -99.200 -91.000 TYR 126 0.840 41.117 0.070 31.441 -99.200 -91.000 TRP 149 1.040 59.127 -16.807 22.213 -99.200 -91.000 TRP6 149 1.020 58.551 -18.842 21.172 -99.200 -91.000 TYR 173 0.840 33.729 -22.080 20.385 -99.200 -91.000 PHE 174 1.000 37.451 -15.886 19.337 -99.200 -91.000 TRP 184 1.040 47.781 -6.283 11.940 -99.200 -91.000 TRP6 184 1.020 49.313 -5.596 13.593 -99.200 -91.000 PHE 185 1.000 51.459 -9.487 15.470 -99.200 -91.000 TYR 188 0.840 53.713 -5.021 13.045 -99.200 -91.000 PHE 199 1.000 53.885 -15.098 12.611 -99.200 -91.000 PHE 201 1.000 57.993 -23.104 16.233 -99.200 -91.000 TYR 210 0.840 56.555 -24.554 21.747 -99.200 -91.000 HIS 219 0.900 57.590 -15.261 36.607 -99.200 -91.000 TRP 222 1.040 60.854 -9.672 35.731 -99.200 -91.000 TRP6 222 1.020 60.168 -10.356 37.878 -99.200 -91.000 TYR 249 0.840 61.328 -2.011 48.430 -99.200 -91.000 TRP 275 1.040 42.160 -0.332 5.156 -99.200 -91.000 TRP6 275 1.020 39.891 -0.831 4.730 -99.200 -91.000 PHE 276 1.000 49.736 3.073 3.843 -99.200 -91.000 PHE 277 1.000 43.301 -1.163 -0.365 -99.200 -91.000