============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 6 0.840 -16.621 61.025 30.371 -99.200 -91.000 TYR 40 0.840 -6.657 56.844 15.607 -99.200 -91.000 PHE 47 1.000 -11.635 58.303 21.119 -99.200 -91.000 PHE 48 1.000 -16.436 56.079 28.487 -99.200 -91.000 PHE 64 1.000 -13.369 46.015 31.495 -99.200 -91.000 PHE 65 1.000 -9.102 49.435 31.841 -99.200 -91.000 HIS 68 0.900 -13.327 41.481 32.645 -99.200 -91.000 TYR 69 0.840 -8.723 43.439 28.661 -99.200 -91.000 PHE 71 1.000 -2.733 43.599 29.760 -99.200 -91.000 PHE 75 1.000 -8.700 54.475 34.253 -99.200 -91.000 PHE 83 1.000 -8.197 66.966 22.733 -99.200 -91.000 TRP 93 1.040 6.012 75.699 21.918 -99.200 -91.000 TRP6 93 1.020 5.734 73.393 22.361 -99.200 -91.000 TRP 94 1.040 0.148 70.998 19.845 -99.200 -91.000 TRP6 94 1.020 1.411 69.236 20.779 -99.200 -91.000 PHE 103 1.000 -1.302 66.964 26.049 -99.200 -91.000 PHE 105 1.000 -3.757 63.024 25.922 -99.200 -91.000 TYR 106 0.840 -0.538 66.272 33.702 -99.200 -91.000 TYR 130 0.840 1.873 76.261 28.445 -99.200 -91.000 PHE 131 1.000 5.286 71.436 33.416 -99.200 -91.000 PHE 137 1.000 -0.216 71.421 24.885 -99.200 -91.000 TRP 138 1.040 9.469 67.475 26.230 -99.200 -91.000 TRP6 138 1.020 9.631 66.432 28.352 -99.200 -91.000 PHE 141 1.000 12.433 73.829 19.157 -99.200 -91.000 TYR 146 0.840 14.213 62.124 20.122 -99.200 -91.000 TYR 151 0.840 9.693 62.791 24.754 -99.200 -91.000 HIS 152 0.900 17.216 59.297 23.430 -99.200 -91.000 TYR 154 0.840 18.329 63.673 31.471 -99.200 -91.000 PHE 160 1.000 6.862 62.059 34.735 -99.200 -91.000 TYR 161 0.840 7.991 55.756 30.148 -99.200 -91.000 HIS 163 0.900 2.025 55.155 37.661 -99.200 -91.000 PHE 172 1.000 -3.544 67.413 21.856 -99.200 -91.000