============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 23 0.840 40.810 72.225 22.923 -99.200 -91.000 PHE 36 1.000 53.924 85.954 13.879 -99.200 -91.000 TYR 69 0.840 57.670 88.111 14.432 -99.200 -91.000 TRP 95 1.040 60.519 63.019 10.398 -99.200 -91.000 TRP6 95 1.020 60.770 62.667 12.726 -99.200 -91.000 PHE 103 1.000 64.023 72.240 3.733 -99.200 -91.000 TYR 118 0.840 57.518 94.508 17.495 -99.200 -91.000 PHE 123 1.000 61.038 79.958 30.462 -99.200 -91.000 PHE 138 1.000 64.521 82.946 20.435 -99.200 -91.000 HIS 139 0.900 71.494 82.371 24.464 -99.200 -91.000 PHE 161 1.000 63.125 55.444 30.085 -99.200 -91.000 PHE 164 1.000 56.771 53.791 25.033 -99.200 -91.000 HIS 184 0.900 63.169 65.319 20.630 -99.200 -91.000 HIS 187 0.900 73.436 58.785 17.814 -99.200 -91.000 TYR 194 0.840 70.657 58.727 37.586 -99.200 -91.000 PHE 200 1.000 59.400 53.067 46.921 -99.200 -91.000 PHE 205 1.000 58.922 48.450 41.776 -99.200 -91.000 TYR 239 0.840 48.189 66.803 16.356 -99.200 -91.000 TYR 240 0.840 45.922 65.440 19.915 -99.200 -91.000 PHE 253 1.000 58.590 82.762 33.145 -99.200 -91.000 TYR 266 0.840 74.989 79.515 27.697 -99.200 -91.000 TYR 271 0.840 75.518 66.433 32.743 -99.200 -91.000 HIS 274 0.900 82.734 75.156 29.387 -99.200 -91.000 PHE 277 1.000 70.628 77.199 24.683 -99.200 -91.000 HIS 299 0.900 84.326 55.454 30.258 -99.200 -91.000 PHE 305 1.000 75.276 64.423 27.966 -99.200 -91.000