============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 15.908 75.400 24.612 -99.200 -91.000 PHE 24 1.000 22.430 71.570 16.929 -99.200 -91.000 PHE 29 1.000 22.438 80.511 17.548 -99.200 -91.000 PHE 46 1.000 15.569 87.249 22.204 -99.200 -91.000 TYR 59 0.840 16.651 69.510 12.278 -99.200 -91.000 TRP 71 1.040 23.092 60.164 5.585 -99.200 -91.000 TRP6 71 1.020 23.025 58.336 4.084 -99.200 -91.000 HIS 93 0.900 42.622 49.827 12.037 -99.200 -91.000 TYR 95 0.840 32.047 54.052 13.679 -99.200 -91.000 TYR 96 0.840 36.111 54.992 20.118 -99.200 -91.000 PHE 99 1.000 27.368 63.626 15.425 -99.200 -91.000 TYR 101 0.840 28.008 73.241 18.869 -99.200 -91.000 HIS 103 0.900 23.981 63.555 25.251 -99.200 -91.000 PHE 124 1.000 39.428 61.142 8.985 -99.200 -91.000 TYR 127 0.840 33.132 70.442 10.920 -99.200 -91.000 TYR 130 0.840 41.565 74.317 11.378 -99.200 -91.000 TYR 143 0.840 43.767 72.605 26.503 -99.200 -91.000 TYR 145 0.840 37.479 64.065 28.859 -99.200 -91.000 TYR 146 0.840 42.462 63.502 27.333 -99.200 -91.000 TRP 157 1.040 44.410 61.954 22.499 -99.200 -91.000 TRP6 157 1.020 42.350 61.947 21.329 -99.200 -91.000 TRP 163 1.040 39.588 65.483 5.716 -99.200 -91.000 TRP6 163 1.020 37.769 64.521 4.553 -99.200 -91.000 HIS 166 0.900 41.948 61.290 -0.122 -99.200 -91.000 HIS 167 0.900 43.467 59.963 -4.630 -99.200 -91.000 PHE 173 1.000 31.774 67.174 -2.610 -99.200 -91.000 HIS 176 0.900 27.867 61.614 -5.049 -99.200 -91.000 HIS 183 0.900 19.524 62.590 -12.602 -99.200 -91.000 PHE 184 1.000 20.573 70.092 -14.608 -99.200 -91.000 PHE 196 1.000 31.837 73.492 -7.438 -99.200 -91.000 HIS 199 0.900 27.185 77.067 7.568 -99.200 -91.000 TYR 212 0.840 34.533 77.081 5.470 -99.200 -91.000 TYR 229 0.840 39.015 74.332 -15.315 -99.200 -91.000 TYR 233 0.840 34.329 77.291 -11.263 -99.200 -91.000 TRP 237 1.040 30.933 82.101 0.103 -99.200 -91.000 TRP6 237 1.020 32.713 80.669 0.735 -99.200 -91.000 TRP 246 1.040 27.112 85.682 8.995 -99.200 -91.000 TRP6 246 1.020 27.258 83.356 9.404 -99.200 -91.000 PHE 273 1.000 26.849 71.642 4.363 -99.200 -91.000 HIS 277 0.900 24.061 68.598 7.039 -99.200 -91.000 TYR 282 0.840 13.179 73.859 5.203 -99.200 -91.000 TYR 288 0.840 18.580 78.699 -0.252 -99.200 -91.000 PHE 313 1.000 33.079 60.730 3.094 -99.200 -91.000 HIS 322 0.900 47.767 52.188 4.993 -99.200 -91.000 HIS 324 0.900 47.498 61.097 11.362 -99.200 -91.000 PHE 353 1.000 45.516 66.713 23.609 -99.200 -91.000 PHE 354 1.000 45.145 67.204 18.831 -99.200 -91.000