============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 3 0.840 37.873 95.123 -16.567 -99.200 -91.000 TYR 7 0.840 34.771 99.707 -24.913 -99.200 -91.000 PHE 20 1.000 26.869 81.738 -24.990 -99.200 -91.000 PHE 24 1.000 20.977 79.120 -16.691 -99.200 -91.000 PHE 45 1.000 19.781 64.270 -24.476 -99.200 -91.000 PHE 59 1.000 43.774 70.465 -31.335 -99.200 -91.000 TYR 66 0.840 54.022 59.663 -19.263 -99.200 -91.000 PHE 68 1.000 41.955 60.740 -25.885 -99.200 -91.000 TYR 71 0.840 40.572 59.854 -30.519 -99.200 -91.000 TRP 78 1.040 35.336 62.082 -36.344 -99.200 -91.000 TRP6 78 1.020 36.611 61.007 -34.681 -99.200 -91.000 TYR 86 0.840 21.440 65.637 -35.377 -99.200 -91.000 HIS 99 0.900 46.046 73.805 -31.361 -99.200 -91.000 TYR 106 0.840 38.026 71.652 -39.097 -99.200 -91.000 PHE 120 1.000 49.239 87.409 -19.140 -99.200 -91.000 TYR 148 0.840 43.842 94.209 -14.770 -99.200 -91.000 TYR 152 0.840 47.287 90.563 -21.830 -99.200 -91.000 PHE 171 1.000 39.925 75.841 3.985 -99.200 -91.000 PHE 177 1.000 40.067 72.439 -9.635 -99.200 -91.000 HIS 192 0.900 31.224 95.145 -21.594 -99.200 -91.000 HIS 201 0.900 35.700 70.470 -16.303 -99.200 -91.000 TYR 217 0.840 17.114 80.035 -13.459 -99.200 -91.000 HIS 229 0.900 30.606 59.638 -22.819 -99.200 -91.000 PHE 245 1.000 22.731 61.378 -24.484 -99.200 -91.000 PHE 248 1.000 21.350 68.703 -20.539 -99.200 -91.000 TRP 260 1.040 15.704 78.316 -18.281 -99.200 -91.000 TRP6 260 1.020 16.163 76.231 -19.299 -99.200 -91.000