============================================================================= 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. TYR 24 0.840 39.602 109.150 7.944 -99.200 -91.000 PHE 29 1.000 43.513 104.353 5.302 -99.200 -91.000 TYR 32 0.840 48.394 94.409 9.488 -99.200 -91.000 TRP 33 1.040 41.913 90.514 7.201 -99.200 -91.000 TRP6 33 1.020 39.881 90.572 8.395 -99.200 -91.000 HIS 38 0.900 44.478 78.067 22.356 -99.200 -91.000 TRP 44 1.040 50.864 89.494 8.071 -99.200 -91.000 TRP6 44 1.020 51.605 88.601 6.016 -99.200 -91.000 HIS 51 0.900 44.201 103.799 -3.355 -99.200 -91.000 TYR 57 0.840 46.469 85.589 0.313 -99.200 -91.000 PHE 61 1.000 47.361 81.229 8.928 -99.200 -91.000 TYR 77 0.840 33.546 91.781 2.703 -99.200 -91.000 HIS 79 0.900 35.391 82.054 1.781 -99.200 -91.000 TYR 91 0.840 40.597 83.813 12.466 -99.200 -91.000 TYR 92 0.840 42.841 91.134 17.565 -99.200 -91.000 PHE 96 1.000 51.167 98.974 6.781 -99.200 -91.000 TYR 97 0.840 49.282 106.493 3.615 -99.200 -91.000 PHE 100 1.000 52.284 109.926 7.135 -99.200 -91.000 TYR 102 0.840 42.218 102.069 15.250 -99.200 -91.000 TRP 103 1.040 46.709 95.848 15.049 -99.200 -91.000 TRP6 103 1.020 47.143 93.544 15.311 -99.200 -91.000 PHE 122 1.000 20.004 82.174 36.712 -99.200 -91.000 TYR 145 0.840 28.938 82.470 28.004 -99.200 -91.000 PHE 146 1.000 30.178 76.027 22.217 -99.200 -91.000 TRP 154 1.040 27.656 96.009 35.571 -99.200 -91.000 TRP6 154 1.020 25.943 95.160 36.954 -99.200 -91.000 HIS 164 0.900 37.369 94.416 39.584 -99.200 -91.000 PHE 166 1.000 35.623 88.002 38.915 -99.200 -91.000 TYR 176 0.840 33.345 78.938 26.897 -99.200 -91.000 TYR 194 0.840 23.832 100.763 41.235 -99.200 -91.000 HIS 200 0.900 25.923 83.705 23.456 -99.200 -91.000