============================================================================= 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. TYR 10 0.840 36.273 63.266 18.317 -99.200 -91.000 PHE 13 1.000 35.238 65.252 10.204 -99.200 -91.000 HIS 20 0.900 47.361 64.410 21.525 -99.200 -91.000 HIS 23 0.900 47.981 72.964 20.467 -99.200 -91.000 TYR 34 0.840 32.377 68.142 18.311 -99.200 -91.000 TYR 37 0.840 27.618 64.510 17.764 -99.200 -91.000 PHE 42 1.000 18.502 67.503 14.494 -99.200 -91.000 TYR 51 0.840 21.858 59.137 15.731 -99.200 -91.000 PHE 56 1.000 21.491 55.365 19.274 -99.200 -91.000 PHE 104 1.000 13.582 70.423 12.427 -99.200 -91.000 PHE 106 1.000 7.063 71.762 11.302 -99.200 -91.000 HIS 107 0.900 0.309 64.372 11.076 -99.200 -91.000 HIS 120 0.900 36.246 73.755 17.721 -99.200 -91.000 TYR 131 0.840 30.703 92.230 11.973 -99.200 -91.000 HIS 154 0.900 36.978 98.701 22.429 -99.200 -91.000 PHE 163 1.000 37.207 103.957 24.689 -99.200 -91.000 TYR 178 0.840 21.667 103.153 18.227 -99.200 -91.000 PHE 182 1.000 27.529 96.476 18.943 -99.200 -91.000 TRP 185 1.040 24.624 93.946 11.481 -99.200 -91.000 TRP6 185 1.020 26.982 94.157 11.487 -99.200 -91.000 HIS 200 0.900 20.447 87.697 7.745 -99.200 -91.000 PHE 207 1.000 28.313 70.269 18.984 -99.200 -91.000 TYR 214 0.840 29.175 66.494 23.646 -99.200 -91.000 TYR 225 0.840 24.408 85.084 21.620 -99.200 -91.000 PHE 241 1.000 32.960 99.603 26.077 -99.200 -91.000 TRP 247 1.040 32.306 95.547 22.417 -99.200 -91.000 TRP6 247 1.020 31.901 97.775 21.750 -99.200 -91.000 TYR 249 0.840 44.372 92.971 18.611 -99.200 -91.000 PHE 260 1.000 32.238 93.677 18.026 -99.200 -91.000