============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 1 0.840 41.113 119.930 76.702 -99.200 -91.000 TYR 8 0.840 33.284 115.409 60.810 -99.200 -91.000 HIS 14 0.900 30.483 114.621 48.880 -99.200 -91.000 HIS 16 0.900 28.228 111.573 49.126 -99.200 -91.000 TRP 17 1.040 25.574 119.550 51.343 -99.200 -91.000 TRP6 17 1.020 24.957 119.103 53.600 -99.200 -91.000 PHE 27 1.000 19.982 132.431 53.223 -99.200 -91.000 TYR 31 0.840 8.884 137.002 66.667 -99.200 -91.000 HIS 41 0.900 9.300 140.964 78.145 -99.200 -91.000 PHE 49 1.000 23.929 140.441 72.884 -99.200 -91.000 HIS 63 0.900 17.127 152.467 77.562 -99.200 -91.000 TYR 68 0.840 15.265 143.925 71.603 -99.200 -91.000 TYR 70 0.840 11.685 148.574 62.006 -99.200 -91.000 TRP 77 1.040 4.216 141.173 59.972 -99.200 -91.000 TRP6 77 1.020 3.110 139.108 59.629 -99.200 -91.000 PHE 83 1.000 14.865 134.554 53.989 -99.200 -91.000 PHE 93 1.000 18.428 129.000 65.452 -99.200 -91.000 HIS 112 0.900 9.718 130.263 56.132 -99.200 -91.000 HIS 117 0.900 17.187 132.144 70.262 -99.200 -91.000 TYR 119 0.840 9.161 131.060 79.540 -99.200 -91.000 TRP 121 1.040 17.605 136.542 72.878 -99.200 -91.000 TRP6 121 1.020 18.502 138.734 72.788 -99.200 -91.000 TYR 124 0.840 18.268 130.373 79.712 -99.200 -91.000 TYR 126 0.840 27.576 133.849 85.672 -99.200 -91.000 HIS 134 0.900 13.406 129.935 82.299 -99.200 -91.000 TRP 152 1.040 17.792 124.508 73.253 -99.200 -91.000 TRP6 152 1.020 15.761 124.802 74.420 -99.200 -91.000 TYR 153 0.840 21.605 129.633 68.803 -99.200 -91.000 PHE 170 1.000 14.713 119.968 72.130 -99.200 -91.000 TYR 172 0.840 18.198 121.268 64.522 -99.200 -91.000 TYR 177 0.840 28.209 129.773 68.373 -99.200 -91.000 TYR 183 0.840 30.111 118.213 66.175 -99.200 -91.000 TRP 184 1.040 26.182 111.295 63.905 -99.200 -91.000 TRP6 184 1.020 23.836 111.573 64.108 -99.200 -91.000 HIS 194 0.900 21.494 116.496 70.380 -99.200 -91.000 TYR 199 0.840 23.062 130.699 64.478 -99.200 -91.000 PHE 207 1.000 24.244 144.765 58.837 -99.200 -91.000 PHE 213 1.000 29.149 142.321 58.516 -99.200 -91.000 PHE 219 1.000 24.879 140.263 56.471 -99.200 -91.000 PHE 220 1.000 26.692 140.675 47.418 -99.200 -91.000 TYR 222 0.840 32.218 137.989 57.077 -99.200 -91.000 PHE 227 1.000 27.421 130.518 46.853 -99.200 -91.000 TYR 231 0.840 29.163 126.725 43.641 -99.200 -91.000 HIS 245 0.900 19.818 138.359 65.384 -99.200 -91.000 PHE 260 1.000 24.813 134.913 50.422 -99.200 -91.000 TYR 263 0.840 27.506 135.548 44.243 -99.200 -91.000 HIS 267 0.900 27.033 131.267 42.213 -99.200 -91.000 TRP 271 1.040 19.140 121.014 50.162 -99.200 -91.000 TRP6 271 1.020 19.695 119.944 52.200 -99.200 -91.000 PHE 272 1.000 19.278 128.883 48.144 -99.200 -91.000 HIS 281 0.900 21.461 114.554 53.215 -99.200 -91.000 TRP 282 1.040 25.471 113.977 59.532 -99.200 -91.000 TRP6 282 1.020 26.608 115.125 57.799 -99.200 -91.000 HIS 283 0.900 19.079 111.806 62.946 -99.200 -91.000 HIS 286 0.900 27.798 110.965 55.966 -99.200 -91.000 PHE 288 1.000 26.833 107.337 67.656 -99.200 -91.000