============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TRP 18 1.040 -11.323 -6.366 15.118 -99.200 -91.000 TRP6 18 1.020 -9.056 -5.994 15.666 -99.200 -91.000 PHE 24 1.000 -9.482 -2.821 27.591 -99.200 -91.000 TYR 36 0.840 5.581 -1.486 11.949 -99.200 -91.000 TRP 43 1.040 15.752 0.099 25.915 -99.200 -91.000 TRP6 43 1.020 16.702 1.479 24.237 -99.200 -91.000 HIS 56 0.900 3.937 -3.728 31.443 -99.200 -91.000 PHE 58 1.000 0.692 -8.127 21.999 -99.200 -91.000 TRP 61 1.040 -1.100 -13.415 23.041 -99.200 -91.000 TRP6 61 1.020 -2.024 -14.830 24.683 -99.200 -91.000 HIS 85 0.900 3.708 -4.729 18.826 -99.200 -91.000 PHE 95 1.000 -6.969 1.398 25.070 -99.200 -91.000 TRP 96 1.040 -8.794 6.710 19.569 -99.200 -91.000 TRP6 96 1.020 -6.470 7.115 19.637 -99.200 -91.000 PHE 102 1.000 -3.582 6.903 23.846 -99.200 -91.000 TYR 104 0.840 4.095 5.282 18.003 -99.200 -91.000 TYR 116 0.840 7.697 -7.441 11.638 -99.200 -91.000 TYR 117 0.840 15.860 -10.984 6.404 -99.200 -91.000 HIS 118 0.900 18.657 -10.435 10.620 -99.200 -91.000 PHE 119 1.000 9.987 -11.226 16.571 -99.200 -91.000 HIS 124 0.900 6.933 -21.241 17.016 -99.200 -91.000 TRP 132 1.040 18.120 -7.192 2.347 -99.200 -91.000 TRP6 132 1.020 17.083 -6.206 4.235 -99.200 -91.000 TYR 135 0.840 10.725 -8.610 5.893 -99.200 -91.000 PHE 136 1.000 14.263 -2.439 -0.386 -99.200 -91.000 PHE 139 1.000 9.384 -2.705 7.181 -99.200 -91.000 TRP 146 1.040 0.148 -6.045 15.397 -99.200 -91.000 TRP6 146 1.020 1.425 -7.882 16.147 -99.200 -91.000 TRP 149 1.040 8.368 2.277 10.356 -99.200 -91.000 TRP6 149 1.020 8.649 4.477 9.457 -99.200 -91.000 PHE 150 1.000 6.925 3.780 4.523 -99.200 -91.000 HIS 152 0.900 1.941 1.396 14.600 -99.200 -91.000 TRP 156 1.040 -0.193 4.870 16.959 -99.200 -91.000 TRP6 156 1.020 -1.382 5.236 18.985 -99.200 -91.000 TRP 157 1.040 4.343 13.553 13.448 -99.200 -91.000 TRP6 157 1.020 6.042 13.912 15.076 -99.200 -91.000 HIS 163 0.900 -6.749 11.692 20.999 -99.200 -91.000 PHE 167 1.000 5.721 9.753 17.715 -99.200 -91.000 PHE 169 1.000 11.029 10.537 16.939 -99.200 -91.000 TYR 170 0.840 16.077 1.333 19.215 -99.200 -91.000 HIS 179 0.900 16.680 14.937 27.038 -99.200 -91.000 PHE 187 1.000 2.883 10.272 29.056 -99.200 -91.000 PHE 206 1.000 21.386 -5.734 22.738 -99.200 -91.000 PHE 213 1.000 18.038 -12.895 19.150 -99.200 -91.000 TRP 222 1.040 20.069 2.433 8.263 -99.200 -91.000 TRP6 222 1.020 20.712 3.271 6.153 -99.200 -91.000 HIS 225 0.900 21.141 -6.293 7.876 -99.200 -91.000 PHE 226 1.000 17.633 -0.488 3.677 -99.200 -91.000 PHE 234 1.000 13.008 2.664 3.103 -99.200 -91.000 TYR 238 0.840 11.060 7.977 5.281 -99.200 -91.000 PHE 249 1.000 11.276 8.091 12.293 -99.200 -91.000