============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 53.943 24.245 1.431 -99.200 -91.000 PHE 11 1.000 47.929 17.403 7.160 -99.200 -91.000 HIS 14 0.900 46.520 4.453 9.160 -99.200 -91.000 HIS 22 0.900 31.451 0.295 8.059 -99.200 -91.000 PHE 24 1.000 36.720 5.045 10.124 -99.200 -91.000 TYR 35 0.840 55.527 29.845 12.111 -99.200 -91.000 PHE 53 1.000 31.267 6.547 9.806 -99.200 -91.000 TRP 55 1.040 34.637 13.712 5.776 -99.200 -91.000 TRP6 55 1.020 36.111 11.944 5.294 -99.200 -91.000 PHE 62 1.000 40.570 12.966 8.595 -99.200 -91.000 TYR 66 0.840 49.821 22.688 9.128 -99.200 -91.000 HIS 69 0.900 48.854 29.659 19.061 -99.200 -91.000 TYR 76 0.840 51.517 22.131 25.290 -99.200 -91.000 TRP 77 1.040 48.635 22.036 19.958 -99.200 -91.000 TRP6 77 1.020 47.262 23.946 20.253 -99.200 -91.000 PHE 81 1.000 55.757 19.187 16.022 -99.200 -91.000 PHE 85 1.000 50.645 18.181 18.628 -99.200 -91.000 TRP 87 1.040 45.279 15.701 19.110 -99.200 -91.000 TRP6 87 1.020 43.160 14.913 18.388 -99.200 -91.000 PHE 93 1.000 28.855 14.055 17.855 -99.200 -91.000 PHE 112 1.000 54.133 19.824 11.301 -99.200 -91.000 TYR 114 0.840 48.987 16.017 11.768 -99.200 -91.000 PHE 123 1.000 27.660 8.906 16.724 -99.200 -91.000 TRP 137 1.040 32.112 19.627 12.222 -99.200 -91.000 TRP6 137 1.020 31.085 18.992 14.262 -99.200 -91.000 TYR 145 0.840 40.646 24.248 30.995 -99.200 -91.000 HIS 166 0.900 22.872 25.140 13.657 -99.200 -91.000 TYR 167 0.840 24.045 15.127 16.138 -99.200 -91.000 TYR 175 0.840 44.536 19.872 22.084 -99.200 -91.000 TYR 187 0.840 45.548 30.006 23.491 -99.200 -91.000 HIS 198 0.900 30.803 15.772 -1.145 -99.200 -91.000 TYR 202 0.840 30.255 13.247 1.764 -99.200 -91.000 TYR 208 0.840 40.891 27.277 4.170 -99.200 -91.000 HIS 215 0.900 46.648 37.896 24.002 -99.200 -91.000