============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 22 1.000 7.822 4.132 44.224 -99.200 -91.000 PHE 27 1.000 8.186 -5.160 56.416 -99.200 -91.000 TYR 31 0.840 2.781 -8.598 47.250 -99.200 -91.000 TYR 39 0.840 3.003 -4.735 41.708 -99.200 -91.000 HIS 47 0.900 10.491 20.320 41.748 -99.200 -91.000 HIS 51 0.900 1.598 9.001 32.993 -99.200 -91.000 TYR 69 0.840 14.849 -9.327 33.621 -99.200 -91.000 TRP 72 1.040 8.661 -3.346 29.965 -99.200 -91.000 TRP6 72 1.020 8.955 -2.884 32.283 -99.200 -91.000 HIS 74 0.900 11.924 3.210 29.574 -99.200 -91.000 PHE 76 1.000 17.350 -3.715 33.695 -99.200 -91.000 TYR 80 0.840 23.525 -6.599 48.488 -99.200 -91.000 PHE 88 1.000 27.762 -8.704 47.807 -99.200 -91.000 TYR 94 0.840 18.859 -11.703 39.076 -99.200 -91.000 HIS 101 0.900 19.835 -7.647 26.229 -99.200 -91.000 TYR 123 0.840 20.457 -9.502 64.092 -99.200 -91.000 PHE 138 1.000 28.994 -6.837 37.508 -99.200 -91.000 PHE 142 1.000 25.875 -0.628 48.047 -99.200 -91.000 PHE 143 1.000 21.349 5.207 45.996 -99.200 -91.000 PHE 151 1.000 6.979 6.793 50.321 -99.200 -91.000 HIS 153 0.900 14.702 3.960 53.694 -99.200 -91.000 HIS 156 0.900 17.627 9.545 47.073 -99.200 -91.000 PHE 158 1.000 11.028 1.462 44.037 -99.200 -91.000 HIS 159 0.900 10.407 9.790 43.420 -99.200 -91.000