============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 5 1.000 30.250 3.172 20.221 -99.200 -91.000 PHE 16 1.000 30.150 18.856 24.240 -99.200 -91.000 TYR 18 0.840 23.316 10.612 25.038 -99.200 -91.000 HIS 29 0.900 6.178 0.886 2.048 -99.200 -91.000 HIS 50 0.900 17.753 4.014 16.701 -99.200 -91.000 PHE 51 1.000 15.465 14.317 15.790 -99.200 -91.000 PHE 52 1.000 20.875 8.761 17.445 -99.200 -91.000 PHE 55 1.000 19.537 18.898 23.524 -99.200 -91.000 HIS 56 0.900 29.114 23.382 25.007 -99.200 -91.000 PHE 61 1.000 26.360 20.724 19.571 -99.200 -91.000 PHE 62 1.000 24.769 16.067 14.944 -99.200 -91.000 TYR 67 0.840 13.360 7.473 8.928 -99.200 -91.000 TYR 69 0.840 13.508 1.518 6.170 -99.200 -91.000 TRP 73 1.040 13.804 -12.070 1.774 -99.200 -91.000 TRP6 73 1.020 15.495 -10.525 2.248 -99.200 -91.000 PHE 83 1.000 17.243 7.482 4.084 -99.200 -91.000 TYR 92 0.840 21.878 29.834 17.150 -99.200 -91.000 PHE 109 1.000 23.872 3.189 20.515 -99.200 -91.000 TYR 117 0.840 16.428 -2.000 20.697 -99.200 -91.000 TYR 118 0.840 16.456 -1.680 15.513 -99.200 -91.000 PHE 130 1.000 -11.357 -7.591 19.161 -99.200 -91.000 TYR 135 0.840 3.092 -3.442 20.810 -99.200 -91.000 PHE 138 1.000 8.123 -10.402 12.837 -99.200 -91.000 PHE 151 1.000 20.446 12.057 -3.620 -99.200 -91.000 TYR 158 0.840 18.687 18.671 4.092 -99.200 -91.000 PHE 160 1.000 19.178 21.923 14.545 -99.200 -91.000 HIS 170 0.900 31.854 25.101 7.769 -99.200 -91.000 TRP 179 1.040 31.418 16.481 7.302 -99.200 -91.000 TRP6 179 1.020 29.349 15.582 8.059 -99.200 -91.000 TRP 180 1.040 26.996 13.025 4.497 -99.200 -91.000 TRP6 180 1.020 26.368 11.938 6.493 -99.200 -91.000 PHE 182 1.000 37.716 11.274 7.903 -99.200 -91.000 PHE 192 1.000 29.859 -2.167 7.472 -99.200 -91.000 TYR 213 0.840 35.942 11.358 -2.588 -99.200 -91.000 TYR 218 0.840 36.325 -1.405 2.206 -99.200 -91.000 TRP 221 1.040 35.425 3.595 -0.347 -99.200 -91.000 TRP6 221 1.020 33.252 4.529 -0.136 -99.200 -91.000 PHE 227 1.000 20.544 1.774 -4.701 -99.200 -91.000 TYR 237 0.840 9.087 -3.733 -11.021 -99.200 -91.000 PHE 242 1.000 16.380 4.104 1.671 -99.200 -91.000 PHE 249 1.000 13.394 11.206 -11.962 -99.200 -91.000 HIS 251 0.900 4.292 10.666 -5.970 -99.200 -91.000 PHE 267 1.000 15.966 6.911 -10.134 -99.200 -91.000 TRP 268 1.040 21.535 5.605 -11.182 -99.200 -91.000 TRP6 268 1.020 20.908 6.272 -8.997 -99.200 -91.000 PHE 277 1.000 22.190 27.262 -15.299 -99.200 -91.000 TYR 290 0.840 27.356 -10.970 6.067 -99.200 -91.000 PHE 298 1.000 18.091 -7.319 22.386 -99.200 -91.000 PHE 313 1.000 10.028 9.633 17.118 -99.200 -91.000 TYR 319 0.840 8.339 20.450 22.901 -99.200 -91.000 TYR 325 0.840 16.337 25.694 15.920 -99.200 -91.000 PHE 335 1.000 18.730 22.352 28.056 -99.200 -91.000 PHE 341 1.000 6.588 15.551 25.951 -99.200 -91.000