============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.367 -9.617 21.261 -99.200 -91.000 TRP6 21 1.020 19.323 -8.497 20.514 -99.200 -91.000 TYR 40 0.840 15.587 -3.039 37.158 -99.200 -91.000 HIS 42 0.900 11.125 1.457 30.821 -99.200 -91.000 HIS 47 0.900 4.776 -11.666 18.373 -99.200 -91.000 TYR 49 0.840 12.951 -8.075 22.245 -99.200 -91.000 PHE 74 1.000 5.974 4.072 30.400 -99.200 -91.000 TRP 80 1.040 9.307 -8.616 13.295 -99.200 -91.000 TRP6 80 1.020 11.349 -7.585 13.919 -99.200 -91.000 TYR 83 0.840 2.930 -9.470 13.299 -99.200 -91.000 HIS 84 0.900 6.251 -1.660 9.841 -99.200 -91.000 TYR 104 0.840 -2.803 0.453 31.130 -99.200 -91.000 TYR 108 0.840 2.266 -2.139 19.845 -99.200 -91.000 HIS 111 0.900 11.598 -4.396 17.702 -99.200 -91.000 TRP 112 1.040 14.044 -2.985 13.587 -99.200 -91.000 TRP6 112 1.020 16.251 -2.161 13.389 -99.200 -91.000 PHE 116 1.000 11.526 -7.070 7.910 -99.200 -91.000 PHE 122 1.000 8.662 -13.502 14.770 -99.200 -91.000 PHE 123 1.000 14.776 -10.470 10.814 -99.200 -91.000 TRP 142 1.040 2.158 8.277 13.945 -99.200 -91.000 TRP6 142 1.020 3.468 7.375 15.684 -99.200 -91.000 PHE 162 1.000 10.323 5.140 12.547 -99.200 -91.000 HIS 164 0.900 18.080 14.078 10.056 -99.200 -91.000 TYR 178 0.840 -3.520 10.753 19.694 -99.200 -91.000 HIS 188 0.900 27.057 1.629 22.109 -99.200 -91.000 TYR 190 0.840 33.349 1.398 22.722 -99.200 -91.000 TYR 199 0.840 14.661 16.331 14.144 -99.200 -91.000 TYR 210 0.840 18.649 -0.457 20.150 -99.200 -91.000 TRP 220 1.040 25.420 -9.138 15.833 -99.200 -91.000 TRP6 220 1.020 23.096 -9.438 16.034 -99.200 -91.000 HIS 241 0.900 32.318 9.188 39.636 -99.200 -91.000 PHE 252 1.000 27.660 8.477 28.116 -99.200 -91.000 PHE 274 1.000 15.817 0.568 40.266 -99.200 -91.000 PHE 277 1.000 17.444 5.769 39.709 -99.200 -91.000 PHE 279 1.000 27.241 6.541 39.693 -99.200 -91.000 TYR 292 0.840 36.300 7.071 26.394 -99.200 -91.000 TRP 296 1.040 30.941 -1.811 17.160 -99.200 -91.000 TRP6 296 1.020 30.011 -2.707 19.127 -99.200 -91.000 HIS 307 0.900 12.179 -1.805 3.849 -99.200 -91.000 TYR 310 0.840 19.998 -0.453 6.858 -99.200 -91.000 PHE 312 1.000 20.307 1.776 11.992 -99.200 -91.000 HIS 313 0.900 21.432 2.423 3.303 -99.200 -91.000 PHE 316 1.000 21.380 14.022 11.863 -99.200 -91.000