============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 10 0.840 32.138 18.141 -6.597 -99.200 -91.000 TYR 26 0.840 25.020 -3.889 -12.053 -99.200 -91.000 PHE 73 1.000 41.071 0.333 -14.386 -99.200 -91.000 TYR 74 0.840 32.701 1.216 -14.787 -99.200 -91.000 PHE 77 1.000 40.611 8.968 -10.790 -99.200 -91.000 PHE 108 1.000 53.168 6.119 3.939 -99.200 -91.000 TYR 109 0.840 48.920 8.964 -1.036 -99.200 -91.000 TRP 127 1.040 28.053 -13.792 12.534 -99.200 -91.000 TRP6 127 1.020 29.303 -11.924 13.263 -99.200 -91.000 PHE 159 1.000 24.158 8.360 28.754 -99.200 -91.000 HIS 174 0.900 11.882 12.987 7.518 -99.200 -91.000 PHE 186 1.000 21.263 18.878 1.268 -99.200 -91.000 PHE 232 1.000 15.736 -2.205 16.570 -99.200 -91.000 PHE 272 1.000 42.833 15.638 8.757 -99.200 -91.000 PHE 275 1.000 39.800 9.830 12.105 -99.200 -91.000 PHE 310 1.000 30.054 20.740 16.747 -99.200 -91.000 PHE 316 1.000 19.962 3.482 16.069 -99.200 -91.000 PHE 320 1.000 21.246 14.784 15.749 -99.200 -91.000 TYR 322 0.840 24.744 11.145 26.126 -99.200 -91.000 HIS 345 0.900 24.883 5.553 8.552 -99.200 -91.000 HIS 360 0.900 30.634 21.870 -1.767 -99.200 -91.000 PHE 371 1.000 39.111 26.443 13.650 -99.200 -91.000 PHE 388 1.000 37.277 17.749 7.593 -99.200 -91.000