============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 24 0.840 -40.250 26.863 -11.079 -99.200 -91.000 TYR 27 0.840 -39.275 35.680 -9.924 -99.200 -91.000 TYR 28 0.840 -36.031 28.026 -12.857 -99.200 -91.000 TYR 29 0.840 -36.603 32.331 -5.082 -99.200 -91.000 PHE 40 1.000 -30.907 28.249 2.246 -99.200 -91.000 TYR 42 0.840 -29.940 35.077 1.594 -99.200 -91.000 TYR 46 0.840 -24.634 47.482 -7.349 -99.200 -91.000 TRP 55 1.040 -29.330 36.020 -7.936 -99.200 -91.000 TRP6 55 1.020 -27.795 37.796 -7.682 -99.200 -91.000 PHE 62 1.000 -28.931 31.688 -11.862 -99.200 -91.000 PHE 63 1.000 -25.074 31.287 -19.266 -99.200 -91.000 TYR 66 0.840 -26.847 42.745 -9.945 -99.200 -91.000 HIS 74 0.900 -26.004 28.714 -4.775 -99.200 -91.000 TYR 75 0.840 -18.905 25.268 -9.047 -99.200 -91.000 TYR 76 0.840 -15.284 29.332 -6.990 -99.200 -91.000 TYR 81 0.840 -21.831 20.295 2.791 -99.200 -91.000 TYR 83 0.840 -10.655 20.801 2.357 -99.200 -91.000 TYR 84 0.840 -13.632 22.937 6.048 -99.200 -91.000 HIS 88 0.900 -10.011 18.153 6.787 -99.200 -91.000 TYR 93 0.840 -21.699 27.738 9.347 -99.200 -91.000 HIS 105 0.900 -23.699 42.334 -7.499 -99.200 -91.000 TYR 106 0.840 -21.401 44.818 2.856 -99.200 -91.000 TYR 110 0.840 -16.598 46.036 1.913 -99.200 -91.000 PHE 114 1.000 -18.033 41.740 5.942 -99.200 -91.000 TRP 115 1.040 -18.489 33.852 9.881 -99.200 -91.000 TRP6 115 1.020 -20.120 32.554 8.784 -99.200 -91.000 TYR 122 0.840 -18.186 36.067 -0.831 -99.200 -91.000 PHE 130 1.000 -9.195 42.680 -3.400 -99.200 -91.000 HIS 142 0.900 -8.995 34.202 4.799 -99.200 -91.000 HIS 146 0.900 -11.537 34.300 9.197 -99.200 -91.000 TYR 151 0.840 -20.804 27.500 14.729 -99.200 -91.000 TYR 157 0.840 -9.645 38.562 12.914 -99.200 -91.000 PHE 172 1.000 -7.754 23.630 7.301 -99.200 -91.000 PHE 178 1.000 -2.142 23.397 -4.210 -99.200 -91.000 TYR 179 0.840 -12.031 18.630 -2.630 -99.200 -91.000 TRP 186 1.040 1.465 26.065 -1.567 -99.200 -91.000 TRP6 186 1.020 0.701 25.231 0.497 -99.200 -91.000 TYR 193 0.840 -4.128 42.704 -4.878 -99.200 -91.000 TYR 211 0.840 2.456 39.920 -2.490 -99.200 -91.000 HIS 216 0.900 12.842 33.600 12.661 -99.200 -91.000 TYR 217 0.840 7.376 35.032 18.140 -99.200 -91.000 TYR 221 0.840 2.203 45.899 13.704 -99.200 -91.000 HIS 231 0.900 -6.329 40.593 7.941 -99.200 -91.000 TYR 242 0.840 5.866 26.718 0.504 -99.200 -91.000 HIS 250 0.900 11.861 30.991 6.248 -99.200 -91.000 TYR 251 0.840 14.921 34.080 7.926 -99.200 -91.000 PHE 267 1.000 -1.116 23.706 10.753 -99.200 -91.000 TYR 268 0.840 -11.171 19.110 10.796 -99.200 -91.000 TYR 274 0.840 -4.649 17.879 20.700 -99.200 -91.000 PHE 281 1.000 2.151 33.481 15.843 -99.200 -91.000 TYR 296 0.840 0.253 11.500 10.066 -99.200 -91.000 PHE 310 1.000 4.490 25.293 14.070 -99.200 -91.000