============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 26 1.000 13.036 41.308 56.264 -99.200 -91.000 TYR 31 0.840 16.112 43.893 59.257 -99.200 -91.000 TYR 32 0.840 25.362 45.742 57.336 -99.200 -91.000 TYR 34 0.840 25.155 39.761 58.365 -99.200 -91.000 TRP 35 1.040 23.695 35.278 50.808 -99.200 -91.000 TRP6 35 1.020 22.021 33.758 50.101 -99.200 -91.000 TRP 46 1.040 28.241 35.132 58.940 -99.200 -91.000 TRP6 46 1.020 27.020 33.939 60.580 -99.200 -91.000 TRP 49 1.040 29.046 42.281 55.305 -99.200 -91.000 TRP6 49 1.020 28.956 44.364 54.180 -99.200 -91.000 TYR 59 0.840 31.495 38.906 47.889 -99.200 -91.000 PHE 63 1.000 32.994 30.859 51.510 -99.200 -91.000 TYR 79 0.840 18.239 37.404 42.886 -99.200 -91.000 TYR 92 0.840 26.365 26.917 49.727 -99.200 -91.000 TYR 93 0.840 20.591 27.162 56.782 -99.200 -91.000 TYR 104 0.840 15.033 52.301 68.869 -99.200 -91.000 TYR 109 0.840 12.946 39.448 60.167 -99.200 -91.000 TRP 110 1.040 19.230 32.924 60.942 -99.200 -91.000 TRP6 110 1.020 21.165 31.840 60.141 -99.200 -91.000 TYR 129 0.840 10.650 -1.246 45.615 -99.200 -91.000 TYR 144 0.840 15.840 9.451 47.096 -99.200 -91.000 PHE 145 1.000 22.887 12.328 42.910 -99.200 -91.000 TRP 153 1.040 3.494 8.048 56.041 -99.200 -91.000 TRP6 153 1.020 3.300 5.861 55.149 -99.200 -91.000 HIS 163 0.900 9.296 7.539 64.709 -99.200 -91.000 PHE 165 1.000 13.329 5.639 60.480 -99.200 -91.000 TYR 174 0.840 21.142 10.928 48.260 -99.200 -91.000 TRP 187 1.040 -3.608 -1.098 56.716 -99.200 -91.000 TRP6 187 1.020 -2.414 -3.078 57.207 -99.200 -91.000 HIS 198 0.900 13.785 12.699 42.778 -99.200 -91.000