============================================================================= 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 14 0.840 18.961 1.180 35.341 -99.200 -91.000 TYR 17 0.840 4.106 4.755 38.822 -99.200 -91.000 HIS 21 0.900 1.259 3.625 41.517 -99.200 -91.000 PHE 24 1.000 4.200 5.289 49.656 -99.200 -91.000 TYR 30 0.840 7.959 8.337 40.640 -99.200 -91.000 TYR 33 0.840 22.153 2.092 40.123 -99.200 -91.000 HIS 44 0.900 27.829 12.051 49.045 -99.200 -91.000 TYR 49 0.840 16.005 14.385 44.979 -99.200 -91.000 TYR 59 0.840 16.224 5.317 27.727 -99.200 -91.000 TRP 69 1.040 19.201 17.322 20.481 -99.200 -91.000 TRP6 69 1.020 20.251 15.220 20.758 -99.200 -91.000 TYR 78 0.840 15.056 21.757 22.808 -99.200 -91.000 PHE 100 1.000 25.725 11.906 28.654 -99.200 -91.000 PHE 104 1.000 24.522 5.971 36.236 -99.200 -91.000 TYR 133 0.840 18.070 -9.095 13.066 -99.200 -91.000 PHE 144 1.000 27.225 -1.124 18.013 -99.200 -91.000 PHE 145 1.000 22.920 -3.157 15.976 -99.200 -91.000 TYR 153 0.840 28.241 -5.930 15.528 -99.200 -91.000 TRP 157 1.040 21.652 0.769 9.216 -99.200 -91.000 TRP6 157 1.020 19.970 1.574 10.658 -99.200 -91.000 TYR 159 0.840 15.774 -7.729 9.314 -99.200 -91.000 PHE 168 1.000 14.584 0.254 13.575 -99.200 -91.000 PHE 186 1.000 11.336 -8.162 17.609 -99.200 -91.000 PHE 188 1.000 14.033 -4.633 22.183 -99.200 -91.000 TYR 197 0.840 15.323 -6.270 37.061 -99.200 -91.000 TYR 218 0.840 23.106 2.676 31.410 -99.200 -91.000 TRP 252 1.040 17.847 -0.647 43.776 -99.200 -91.000 TRP6 252 1.020 15.555 -0.822 44.316 -99.200 -91.000 TRP 253 1.040 20.681 -5.424 37.581 -99.200 -91.000 TRP6 253 1.020 20.541 -3.093 37.930 -99.200 -91.000 TYR 254 0.840 19.910 -11.475 46.563 -99.200 -91.000