============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 13 0.840 53.662 14.692 -14.516 -99.200 -91.000 PHE 26 1.000 44.974 5.849 -17.857 -99.200 -91.000 HIS 28 0.900 55.410 1.614 -15.292 -99.200 -91.000 HIS 35 0.900 56.443 3.390 -25.555 -99.200 -91.000 TRP 37 1.040 49.518 3.074 -18.737 -99.200 -91.000 TRP6 37 1.020 47.875 1.371 -18.490 -99.200 -91.000 HIS 49 0.900 44.650 16.022 -14.886 -99.200 -91.000 PHE 58 1.000 60.463 -0.222 -13.287 -99.200 -91.000 TYR 68 0.840 65.094 1.402 -7.861 -99.200 -91.000 PHE 70 1.000 53.618 -3.468 -3.167 -99.200 -91.000 PHE 71 1.000 55.871 -3.541 1.868 -99.200 -91.000 HIS 73 0.900 58.802 0.545 -7.721 -99.200 -91.000 TYR 76 0.840 61.045 7.092 -4.257 -99.200 -91.000 PHE 80 1.000 53.043 11.405 -10.256 -99.200 -91.000 TYR 90 0.840 36.546 7.208 -12.148 -99.200 -91.000 TRP 96 1.040 55.438 -6.348 -9.718 -99.200 -91.000 TRP6 96 1.020 55.062 -6.809 -7.424 -99.200 -91.000 PHE 102 1.000 44.510 -5.552 -7.000 -99.200 -91.000 HIS 103 0.900 50.028 -1.477 0.495 -99.200 -91.000 PHE 111 1.000 43.656 8.644 -4.388 -99.200 -91.000 PHE 117 1.000 40.754 -5.686 -11.217 -99.200 -91.000 PHE 120 1.000 43.727 -10.234 -10.689 -99.200 -91.000 TRP 127 1.040 57.467 -21.242 -7.525 -99.200 -91.000 TRP6 127 1.020 57.931 -19.460 -9.002 -99.200 -91.000 PHE 130 1.000 54.703 -16.374 -12.339 -99.200 -91.000 HIS 131 0.900 52.689 -16.453 -16.104 -99.200 -91.000 HIS 132 0.900 45.160 -22.552 -11.946 -99.200 -91.000 HIS 141 0.900 53.158 -20.093 -24.996 -99.200 -91.000 PHE 149 1.000 58.463 -13.913 -14.243 -99.200 -91.000 PHE 152 1.000 63.368 -13.394 -15.011 -99.200 -91.000 PHE 168 1.000 60.315 -9.122 -16.205 -99.200 -91.000 TYR 189 0.840 57.351 -1.081 -23.955 -99.200 -91.000 PHE 193 1.000 64.606 -0.498 -17.416 -99.200 -91.000 PHE 205 1.000 58.039 -3.665 -9.589 -99.200 -91.000 TYR 219 0.840 51.616 -15.317 0.192 -99.200 -91.000 HIS 226 0.900 44.249 -9.666 -4.527 -99.200 -91.000 TYR 234 0.840 37.357 0.253 -5.124 -99.200 -91.000 PHE 239 1.000 39.466 -3.349 -19.642 -99.200 -91.000 PHE 251 1.000 42.173 -15.856 -10.668 -99.200 -91.000 PHE 255 1.000 40.167 -11.257 -8.286 -99.200 -91.000 HIS 272 0.900 51.855 -9.665 -17.501 -99.200 -91.000 TYR 273 0.840 54.303 -7.153 -20.515 -99.200 -91.000 HIS 278 0.900 43.323 -7.289 -26.996 -99.200 -91.000 TRP 289 1.040 33.948 1.315 -15.280 -99.200 -91.000 TRP6 289 1.020 35.930 1.968 -14.175 -99.200 -91.000