============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 63.758 52.941 -7.411 -99.200 -91.000 TRP6 23 1.020 62.925 50.972 -8.381 -99.200 -91.000 HIS 42 0.900 53.843 51.059 3.147 -99.200 -91.000 PHE 43 1.000 60.349 47.718 0.854 -99.200 -91.000 PHE 50 1.000 42.968 47.408 -4.791 -99.200 -91.000 PHE 54 1.000 53.783 46.496 -13.850 -99.200 -91.000 TYR 63 0.840 68.946 42.349 -4.238 -99.200 -91.000 PHE 64 1.000 65.472 48.659 0.073 -99.200 -91.000 HIS 67 0.900 70.473 46.685 9.374 -99.200 -91.000 PHE 69 1.000 58.145 45.029 10.851 -99.200 -91.000 HIS 73 0.900 49.394 49.125 0.725 -99.200 -91.000 TYR 100 0.840 34.691 39.911 -3.131 -99.200 -91.000 HIS 101 0.900 36.234 37.416 -5.918 -99.200 -91.000 PHE 103 1.000 41.509 40.256 3.875 -99.200 -91.000 TRP 109 1.040 51.023 30.236 2.969 -99.200 -91.000 TRP6 109 1.020 52.564 32.030 2.778 -99.200 -91.000 TYR 117 0.840 62.611 44.066 13.294 -99.200 -91.000 TYR 122 0.840 60.179 39.194 16.738 -99.200 -91.000 TYR 142 0.840 38.208 38.885 7.062 -99.200 -91.000 TYR 162 0.840 37.516 59.189 -1.192 -99.200 -91.000 TYR 199 0.840 42.848 66.647 10.317 -99.200 -91.000 PHE 200 1.000 45.496 61.889 8.727 -99.200 -91.000 HIS 205 0.900 40.184 59.537 18.969 -99.200 -91.000 TRP 209 1.040 54.825 52.114 12.491 -99.200 -91.000 TRP6 209 1.020 55.182 50.023 11.472 -99.200 -91.000 PHE 217 1.000 63.181 59.268 0.104 -99.200 -91.000 TRP 228 1.040 59.150 62.404 11.123 -99.200 -91.000 TRP6 228 1.020 56.816 62.137 10.978 -99.200 -91.000