============================================================================= 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. TYR 17 0.840 74.172 93.480 93.415 -99.200 -91.000 PHE 30 1.000 78.482 84.561 93.356 -99.200 -91.000 HIS 49 0.900 80.126 91.978 103.095 -99.200 -91.000 TYR 53 0.840 70.248 97.252 105.905 -99.200 -91.000 TYR 64 0.840 82.370 72.498 87.611 -99.200 -91.000 HIS 108 0.900 79.265 66.799 91.207 -99.200 -91.000 TYR 111 0.840 72.348 70.807 84.341 -99.200 -91.000 HIS 126 0.900 80.206 71.270 70.942 -99.200 -91.000 TYR 128 0.840 69.746 69.480 71.443 -99.200 -91.000 PHE 141 1.000 71.543 87.501 78.112 -99.200 -91.000 PHE 150 1.000 65.018 97.194 67.440 -99.200 -91.000 TYR 152 0.840 69.849 104.376 75.222 -99.200 -91.000 PHE 158 1.000 59.802 106.171 67.058 -99.200 -91.000 HIS 173 0.900 74.527 88.427 71.563 -99.200 -91.000 PHE 181 1.000 63.989 98.222 62.013 -99.200 -91.000 PHE 193 1.000 60.640 102.099 62.467 -99.200 -91.000 TRP 221 1.040 76.635 98.608 84.811 -99.200 -91.000 TRP6 221 1.020 77.366 97.359 86.692 -99.200 -91.000 HIS 229 0.900 63.061 90.103 81.980 -99.200 -91.000 HIS 236 0.900 59.319 84.278 91.642 -99.200 -91.000 PHE 252 1.000 60.071 81.881 63.943 -99.200 -91.000 HIS 254 0.900 64.878 79.220 58.575 -99.200 -91.000 PHE 259 1.000 67.286 81.111 63.659 -99.200 -91.000 TRP 276 1.040 56.445 86.828 67.938 -99.200 -91.000 TRP6 276 1.020 57.987 88.530 68.422 -99.200 -91.000 TYR 281 0.840 64.861 94.236 55.771 -99.200 -91.000 TYR 297 0.840 77.517 72.464 66.055 -99.200 -91.000