============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 -3.936 88.767 72.935 -99.200 -91.000 HIS 25 0.900 8.109 93.466 71.210 -99.200 -91.000 PHE 38 1.000 8.603 79.467 66.075 -99.200 -91.000 TYR 62 0.840 4.941 89.370 54.394 -99.200 -91.000 PHE 70 1.000 1.034 81.722 59.778 -99.200 -91.000 PHE 90 1.000 0.954 86.473 54.372 -99.200 -91.000 TYR 98 0.840 1.294 74.886 69.191 -99.200 -91.000 TYR 101 0.840 -3.167 72.892 71.776 -99.200 -91.000 TYR 102 0.840 -7.464 68.350 77.314 -99.200 -91.000 TYR 103 0.840 -7.811 65.849 72.613 -99.200 -91.000 HIS 110 0.900 -4.003 57.957 64.978 -99.200 -91.000 TYR 114 0.840 -0.678 68.289 63.732 -99.200 -91.000 PHE 115 1.000 4.325 67.592 64.269 -99.200 -91.000 HIS 124 0.900 6.435 80.031 52.681 -99.200 -91.000 TYR 127 0.840 12.145 76.311 60.499 -99.200 -91.000 TYR 129 0.840 6.742 76.201 69.979 -99.200 -91.000 TYR 131 0.840 6.949 74.373 76.255 -99.200 -91.000 PHE 150 1.000 8.955 68.097 61.867 -99.200 -91.000 HIS 162 0.900 14.418 65.927 73.333 -99.200 -91.000 TYR 166 0.840 15.002 67.304 68.181 -99.200 -91.000 TYR 176 0.840 16.730 77.635 65.023 -99.200 -91.000 TYR 201 0.840 12.199 89.806 79.256 -99.200 -91.000 PHE 226 1.000 26.635 81.705 84.827 -99.200 -91.000 HIS 228 0.900 18.442 87.059 79.066 -99.200 -91.000 PHE 238 1.000 5.030 88.239 91.762 -99.200 -91.000 TYR 245 0.840 1.749 90.593 77.366 -99.200 -91.000 TYR 250 0.840 12.515 98.150 84.800 -99.200 -91.000 PHE 251 1.000 14.925 94.776 81.771 -99.200 -91.000 TYR 254 0.840 8.436 98.580 72.564 -99.200 -91.000 TYR 258 0.840 -4.581 96.349 78.720 -99.200 -91.000 PHE 264 1.000 -6.987 85.904 84.858 -99.200 -91.000