============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 27 0.840 12.323 14.576 26.254 -99.200 -91.000 TRP 44 1.040 23.875 12.172 52.688 -99.200 -91.000 TRP6 44 1.020 22.613 10.176 52.608 -99.200 -91.000 PHE 56 1.000 17.480 10.627 40.666 -99.200 -91.000 PHE 66 1.000 29.523 21.897 43.774 -99.200 -91.000 TRP 91 1.040 13.013 17.052 60.907 -99.200 -91.000 TRP6 91 1.020 11.163 16.573 59.538 -99.200 -91.000 TRP 94 1.040 15.041 23.260 55.178 -99.200 -91.000 TRP6 94 1.020 14.267 22.353 53.142 -99.200 -91.000 PHE 95 1.000 14.339 18.103 55.454 -99.200 -91.000 HIS 98 0.900 9.231 21.692 51.735 -99.200 -91.000 PHE 99 1.000 9.511 15.817 53.229 -99.200 -91.000 TYR 108 0.840 12.625 12.919 55.725 -99.200 -91.000 PHE 113 1.000 25.592 13.005 42.327 -99.200 -91.000 HIS 117 0.900 34.370 12.002 34.471 -99.200 -91.000 TYR 120 0.840 37.089 18.933 39.814 -99.200 -91.000 TRP 121 1.040 35.062 27.891 34.110 -99.200 -91.000 TRP6 121 1.020 33.228 29.411 34.035 -99.200 -91.000 PHE 126 1.000 35.204 24.773 31.418 -99.200 -91.000 HIS 128 0.900 36.486 18.439 31.027 -99.200 -91.000