============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 109.200 53.973 -34.296 -99.200 -91.000 PHE 5 1.000 109.924 47.120 -27.119 -99.200 -91.000 TYR 28 0.840 118.825 41.912 -53.182 -99.200 -91.000 TYR 44 0.840 135.219 34.991 -60.827 -99.200 -91.000 TYR 48 0.840 139.255 32.165 -67.698 -99.200 -91.000 TYR 50 0.840 140.977 43.591 -68.626 -99.200 -91.000 HIS 51 0.900 145.146 35.346 -64.781 -99.200 -91.000 PHE 54 1.000 150.436 37.155 -66.984 -99.200 -91.000 TYR 56 0.840 149.706 37.859 -77.983 -99.200 -91.000 PHE 57 1.000 149.842 42.159 -75.315 -99.200 -91.000 PHE 70 1.000 146.318 48.159 -68.063 -99.200 -91.000 PHE 71 1.000 146.218 44.102 -71.349 -99.200 -91.000 HIS 81 0.900 136.574 46.326 -60.349 -99.200 -91.000 TYR 88 0.840 124.604 45.272 -52.515 -99.200 -91.000 PHE 108 1.000 144.073 38.691 -76.456 -99.200 -91.000 HIS 110 0.900 144.369 44.349 -86.320 -99.200 -91.000 HIS 118 0.900 143.049 43.360 -81.829 -99.200 -91.000 HIS 138 0.900 121.515 53.510 -61.164 -99.200 -91.000 PHE 152 1.000 127.608 47.491 -54.038 -99.200 -91.000 TYR 157 0.840 131.033 47.478 -58.498 -99.200 -91.000 TYR 171 0.840 147.228 53.007 -70.037 -99.200 -91.000 HIS 182 0.900 162.902 53.797 -80.241 -99.200 -91.000 TRP 185 1.040 161.250 48.007 -75.902 -99.200 -91.000 TRP6 185 1.020 162.698 49.716 -75.148 -99.200 -91.000 HIS 186 0.900 160.227 55.990 -74.931 -99.200 -91.000 PHE 187 1.000 151.527 52.816 -73.848 -99.200 -91.000 HIS 193 0.900 160.394 50.943 -65.167 -99.200 -91.000