============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 16 0.840 65.861 83.052 12.955 -99.200 -91.000 TYR 30 0.840 47.975 90.644 23.201 -99.200 -91.000 PHE 40 1.000 43.989 91.863 14.087 -99.200 -91.000 PHE 44 1.000 40.392 91.096 26.219 -99.200 -91.000 PHE 50 1.000 51.424 82.251 35.661 -99.200 -91.000 TYR 51 0.840 49.200 81.070 26.785 -99.200 -91.000 TYR 55 0.840 51.400 79.472 22.970 -99.200 -91.000 TYR 57 0.840 53.825 82.820 14.726 -99.200 -91.000 HIS 60 0.900 57.847 81.694 6.102 -99.200 -91.000 TYR 77 0.840 65.793 88.748 34.063 -99.200 -91.000 HIS 110 0.900 71.814 78.914 18.333 -99.200 -91.000 TYR 117 0.840 67.194 78.753 29.324 -99.200 -91.000 HIS 119 0.900 71.068 73.623 32.068 -99.200 -91.000 HIS 136 0.900 46.838 72.646 36.524 -99.200 -91.000 PHE 137 1.000 48.151 78.092 30.144 -99.200 -91.000 PHE 138 1.000 49.451 74.917 26.528 -99.200 -91.000 HIS 140 0.900 42.616 71.567 34.715 -99.200 -91.000 TYR 141 0.840 44.331 77.912 27.158 -99.200 -91.000 TRP 149 1.040 37.251 69.860 22.930 -99.200 -91.000 TRP6 149 1.020 38.847 68.379 22.026 -99.200 -91.000 TRP 155 1.040 55.487 66.986 29.225 -99.200 -91.000 TRP6 155 1.020 56.242 68.959 28.133 -99.200 -91.000 PHE 169 1.000 59.952 74.691 5.965 -99.200 -91.000