============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 13 1.040 26.856 -2.160 94.680 -99.200 -91.000 TRP6 13 1.020 25.111 -0.671 94.132 -99.200 -91.000 PHE 33 1.000 12.972 4.079 94.045 -99.200 -91.000 PHE 34 1.000 13.247 1.053 98.480 -99.200 -91.000 HIS 35 0.900 14.447 -6.761 91.917 -99.200 -91.000 HIS 41 0.900 21.127 -1.168 88.482 -99.200 -91.000 TYR 50 0.840 16.916 1.661 86.599 -99.200 -91.000 TYR 74 0.840 28.915 7.138 85.638 -99.200 -91.000 HIS 79 0.900 38.553 10.422 90.501 -99.200 -91.000 TYR 101 0.840 27.230 4.214 104.204 -99.200 -91.000 TYR 107 0.840 14.652 8.072 98.622 -99.200 -91.000 PHE 111 1.000 25.028 11.231 94.917 -99.200 -91.000 HIS 112 0.900 19.513 12.017 92.814 -99.200 -91.000 TYR 117 0.840 30.594 19.824 87.698 -99.200 -91.000 HIS 121 0.900 34.628 19.362 84.506 -99.200 -91.000 TRP 122 1.040 33.773 12.136 79.861 -99.200 -91.000 TRP6 122 1.020 32.390 11.392 78.104 -99.200 -91.000 TRP 124 1.040 33.299 23.053 78.711 -99.200 -91.000 TRP6 124 1.020 31.536 24.421 77.927 -99.200 -91.000 TYR 134 0.840 18.736 18.678 76.868 -99.200 -91.000 PHE 143 1.000 17.358 16.976 89.757 -99.200 -91.000 HIS 148 0.900 29.510 26.819 81.950 -99.200 -91.000 HIS 161 0.900 18.478 21.311 103.729 -99.200 -91.000 HIS 196 0.900 32.092 32.258 87.297 -99.200 -91.000 HIS 236 0.900 42.961 26.053 108.336 -99.200 -91.000 HIS 262 0.900 28.879 31.415 117.221 -99.200 -91.000 PHE 263 1.000 27.332 34.322 110.933 -99.200 -91.000 PHE 270 1.000 36.893 34.188 117.457 -99.200 -91.000 TYR 272 0.840 34.661 41.964 124.041 -99.200 -91.000