============================================================================= 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. TRP 12 1.040 -18.527 30.134 88.146 -99.200 -91.000 TRP6 12 1.020 -20.290 31.665 88.409 -99.200 -91.000 HIS 13 0.900 -17.861 26.476 79.073 -99.200 -91.000 HIS 15 0.900 -21.733 22.749 76.473 -99.200 -91.000 TYR 28 0.840 -24.696 11.954 87.353 -99.200 -91.000 TYR 33 0.840 -20.498 21.755 90.468 -99.200 -91.000 TYR 55 0.840 -31.819 24.301 77.870 -99.200 -91.000 HIS 67 0.900 -30.251 17.445 93.772 -99.200 -91.000 PHE 69 1.000 -28.519 23.829 88.833 -99.200 -91.000 TYR 76 0.840 -25.187 29.665 69.204 -99.200 -91.000 PHE 90 1.000 -27.991 42.327 82.350 -99.200 -91.000 HIS 91 0.900 -32.535 45.772 81.073 -99.200 -91.000 PHE 95 1.000 -30.972 35.352 77.023 -99.200 -91.000 TYR 100 0.840 -20.913 28.060 71.633 -99.200 -91.000 HIS 110 0.900 -27.998 27.637 63.058 -99.200 -91.000 HIS 135 0.900 -14.883 26.735 71.727 -99.200 -91.000 HIS 140 0.900 -8.388 29.534 56.569 -99.200 -91.000 PHE 146 1.000 -2.872 19.075 68.659 -99.200 -91.000 PHE 152 1.000 -10.918 33.931 69.800 -99.200 -91.000 PHE 171 1.000 -8.836 32.672 75.823 -99.200 -91.000 HIS 173 0.900 -13.546 26.143 76.255 -99.200 -91.000 TYR 182 0.840 -4.834 38.126 76.113 -99.200 -91.000 TYR 189 0.840 -13.132 46.353 83.065 -99.200 -91.000 HIS 198 0.900 -8.901 21.285 78.152 -99.200 -91.000 PHE 201 1.000 -6.596 12.523 81.944 -99.200 -91.000 HIS 214 0.900 -16.045 7.640 75.902 -99.200 -91.000 TYR 216 0.840 -12.356 15.266 69.362 -99.200 -91.000 HIS 226 0.900 0.763 24.756 75.109 -99.200 -91.000 PHE 238 1.000 -5.025 34.857 87.270 -99.200 -91.000 PHE 242 1.000 -14.454 32.530 86.816 -99.200 -91.000 HIS 250 0.900 -21.429 15.181 72.376 -99.200 -91.000 HIS 253 0.900 -25.493 3.528 70.765 -99.200 -91.000 PHE 265 1.000 -22.169 13.021 82.289 -99.200 -91.000 TYR 274 0.840 -12.114 21.501 88.299 -99.200 -91.000 PHE 278 1.000 -7.016 24.001 92.807 -99.200 -91.000 HIS 286 0.900 -3.634 29.525 96.818 -99.200 -91.000 PHE 287 1.000 -11.049 21.971 95.719 -99.200 -91.000 PHE 290 1.000 -10.536 26.207 89.598 -99.200 -91.000 PHE 298 1.000 -14.685 38.429 85.113 -99.200 -91.000 TYR 299 0.840 -20.052 34.994 85.450 -99.200 -91.000 TRP 307 1.040 -21.319 25.359 104.862 -99.200 -91.000 TRP6 307 1.020 -19.425 26.719 104.585 -99.200 -91.000 PHE 331 1.000 -12.321 13.582 82.991 -99.200 -91.000 TRP 339 1.040 -8.900 14.448 97.105 -99.200 -91.000 TRP6 339 1.020 -9.132 15.276 99.291 -99.200 -91.000