============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 1 1.000 19.508 66.161 103.960 -99.200 -91.000 HIS 4 0.900 6.897 59.845 102.170 -99.200 -91.000 PHE 24 1.000 23.023 46.744 102.782 -99.200 -91.000 PHE 26 1.000 23.522 54.033 103.456 -99.200 -91.000 TYR 31 0.840 22.927 68.992 103.218 -99.200 -91.000 PHE 33 1.000 22.715 65.078 113.809 -99.200 -91.000 TYR 39 0.840 29.349 58.361 105.283 -99.200 -91.000 TYR 54 0.840 23.844 59.036 128.966 -99.200 -91.000 TYR 55 0.840 21.575 64.546 120.423 -99.200 -91.000 TYR 57 0.840 14.041 67.440 124.844 -99.200 -91.000 PHE 68 1.000 15.987 64.903 107.613 -99.200 -91.000 PHE 75 1.000 18.104 56.347 118.607 -99.200 -91.000 HIS 79 0.900 21.853 44.103 125.966 -99.200 -91.000 HIS 91 0.900 16.148 48.547 123.619 -99.200 -91.000 TRP 96 1.040 8.943 49.827 131.708 -99.200 -91.000 TRP6 96 1.020 6.732 50.169 130.928 -99.200 -91.000 TYR 100 0.840 22.644 52.703 133.050 -99.200 -91.000 PHE 107 1.000 7.028 54.692 129.554 -99.200 -91.000 TRP 128 1.040 25.916 34.826 117.861 -99.200 -91.000 TRP6 128 1.020 26.854 36.973 117.532 -99.200 -91.000 TYR 132 0.840 9.551 42.174 120.255 -99.200 -91.000 HIS 136 0.900 16.998 48.139 127.653 -99.200 -91.000 HIS 137 0.900 19.010 52.146 126.019 -99.200 -91.000 PHE 147 1.000 14.034 50.147 114.197 -99.200 -91.000 PHE 148 1.000 18.816 52.835 121.172 -99.200 -91.000 TRP 158 1.040 29.142 44.850 121.837 -99.200 -91.000 TRP6 158 1.020 30.268 45.977 123.585 -99.200 -91.000 TYR 173 0.840 12.578 43.005 104.699 -99.200 -91.000 TYR 178 0.840 8.529 52.094 108.690 -99.200 -91.000 PHE 184 1.000 3.369 43.281 110.959 -99.200 -91.000 HIS 194 0.900 17.298 43.917 129.237 -99.200 -91.000 TYR 195 0.840 18.858 39.419 126.995 -99.200 -91.000 PHE 210 1.000 4.337 41.485 122.310 -99.200 -91.000 HIS 212 0.900 7.148 52.169 125.015 -99.200 -91.000 TYR 217 0.840 14.510 44.397 134.348 -99.200 -91.000 PHE 232 1.000 2.491 50.782 122.288 -99.200 -91.000 TYR 240 0.840 2.050 38.320 125.594 -99.200 -91.000 TRP 243 1.040 -1.364 34.761 135.317 -99.200 -91.000 TRP6 243 1.020 -2.836 36.616 135.186 -99.200 -91.000 PHE 265 1.000 -5.266 40.408 130.350 -99.200 -91.000