============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 2.221 4.868 49.769 -99.200 -91.000 PHE 16 1.000 9.532 7.131 44.737 -99.200 -91.000 PHE 31 1.000 5.123 17.686 49.499 -99.200 -91.000 PHE 37 1.000 0.752 9.404 63.653 -99.200 -91.000 TYR 43 0.840 -0.815 9.076 79.114 -99.200 -91.000 HIS 50 0.900 -17.923 28.730 87.068 -99.200 -91.000 PHE 67 1.000 8.528 7.556 58.026 -99.200 -91.000 HIS 69 0.900 1.542 -0.058 53.364 -99.200 -91.000 TRP 74 1.040 3.156 2.031 56.876 -99.200 -91.000 TRP6 74 1.020 2.523 3.599 55.217 -99.200 -91.000 TYR 77 0.840 15.683 5.413 51.627 -99.200 -91.000 TYR 81 0.840 14.550 18.337 54.979 -99.200 -91.000 PHE 82 1.000 9.913 12.514 60.652 -99.200 -91.000 PHE 88 1.000 -6.631 20.394 71.366 -99.200 -91.000 PHE 98 1.000 -10.715 24.597 74.024 -99.200 -91.000 PHE 103 1.000 -12.134 24.005 79.021 -99.200 -91.000 TYR 114 0.840 0.716 26.841 77.263 -99.200 -91.000 PHE 115 1.000 -6.617 22.076 76.736 -99.200 -91.000 HIS 135 0.900 18.984 20.067 59.349 -99.200 -91.000 PHE 145 1.000 14.221 23.851 64.159 -99.200 -91.000 HIS 160 0.900 -0.483 14.722 51.000 -99.200 -91.000 TYR 178 0.840 -1.739 28.157 51.638 -99.200 -91.000 PHE 182 1.000 -1.186 25.945 57.641 -99.200 -91.000 TYR 183 0.840 0.583 30.875 61.947 -99.200 -91.000 HIS 185 0.900 -2.309 36.043 63.537 -99.200 -91.000 HIS 188 0.900 -4.932 40.602 64.192 -99.200 -91.000 TYR 191 0.840 -7.129 42.100 73.771 -99.200 -91.000 TYR 194 0.840 -12.383 36.157 74.089 -99.200 -91.000 PHE 201 1.000 -7.424 37.495 75.915 -99.200 -91.000 TYR 203 0.840 -3.808 28.403 74.224 -99.200 -91.000 TYR 214 0.840 6.055 19.206 65.814 -99.200 -91.000 PHE 219 1.000 13.208 8.289 63.023 -99.200 -91.000 HIS 234 0.900 10.275 -4.058 63.715 -99.200 -91.000 PHE 235 1.000 14.493 3.253 64.708 -99.200 -91.000 HIS 238 0.900 5.143 6.662 70.815 -99.200 -91.000 TYR 252 0.840 5.716 15.811 86.188 -99.200 -91.000 PHE 265 1.000 2.979 18.246 76.921 -99.200 -91.000 TYR 267 0.840 3.253 12.724 78.608 -99.200 -91.000 TYR 286 0.840 20.375 6.315 49.210 -99.200 -91.000