============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 3.408 21.259 28.103 -99.200 -91.000 TYR 7 0.840 15.188 12.306 22.584 -99.200 -91.000 PHE 8 1.000 16.211 12.075 31.030 -99.200 -91.000 TYR 9 0.840 21.473 10.026 23.782 -99.200 -91.000 PHE 22 1.000 23.367 5.142 23.339 -99.200 -91.000 TYR 27 0.840 11.095 9.859 30.718 -99.200 -91.000 PHE 33 1.000 9.416 11.080 22.974 -99.200 -91.000 PHE 36 1.000 19.364 1.551 20.075 -99.200 -91.000 TRP 51 1.040 1.874 10.833 23.266 -99.200 -91.000 TRP6 51 1.020 4.073 11.594 22.833 -99.200 -91.000 TYR 59 0.840 9.960 9.629 15.197 -99.200 -91.000 TRP 60 1.040 8.669 4.637 14.375 -99.200 -91.000 TRP6 60 1.020 8.821 4.908 16.719 -99.200 -91.000 PHE 67 1.000 18.074 6.974 19.958 -99.200 -91.000 TYR 74 0.840 27.143 8.921 23.926 -99.200 -91.000 TYR 84 0.840 39.821 12.361 27.839 -99.200 -91.000 TYR 85 0.840 38.377 11.338 34.938 -99.200 -91.000 HIS 93 0.900 35.509 3.378 35.078 -99.200 -91.000 TYR 99 0.840 19.870 15.093 23.593 -99.200 -91.000 HIS 113 0.900 17.949 22.497 30.697 -99.200 -91.000 TYR 118 0.840 34.185 8.306 33.529 -99.200 -91.000 TYR 123 0.840 34.023 14.503 31.282 -99.200 -91.000 TRP 133 1.040 31.279 23.314 25.234 -99.200 -91.000 TRP6 133 1.020 29.535 21.734 25.069 -99.200 -91.000 TRP 147 1.040 32.851 17.535 22.749 -99.200 -91.000 TRP6 147 1.020 31.235 17.167 24.436 -99.200 -91.000 TYR 159 0.840 18.020 18.287 19.291 -99.200 -91.000 TRP 167 1.040 11.106 16.450 15.121 -99.200 -91.000 TRP6 167 1.020 9.670 14.820 14.180 -99.200 -91.000 TYR 171 0.840 7.749 14.164 19.517 -99.200 -91.000 HIS 188 0.900 -6.398 9.127 51.670 -99.200 -91.000 HIS 191 0.900 -5.261 9.503 64.612 -99.200 -91.000 HIS 192 0.900 -1.863 5.158 59.842 -99.200 -91.000 HIS 197 0.900 -0.984 10.185 76.773 -99.200 -91.000 TRP 204 1.040 -1.988 8.376 52.443 -99.200 -91.000 TRP6 204 1.020 -0.607 6.792 51.360 -99.200 -91.000 PHE 208 1.000 0.937 13.420 42.552 -99.200 -91.000 TYR 209 0.840 1.475 13.731 33.315 -99.200 -91.000 TRP 217 1.040 1.375 16.728 57.529 -99.200 -91.000 TRP6 217 1.020 -0.912 16.822 58.130 -99.200 -91.000 PHE 241 1.000 4.745 10.580 38.102 -99.200 -91.000 TRP 244 1.040 3.523 8.061 52.213 -99.200 -91.000 TRP6 244 1.020 4.883 8.342 54.133 -99.200 -91.000 TYR 257 0.840 0.280 19.081 64.219 -99.200 -91.000 HIS 260 0.900 -1.676 24.499 54.407 -99.200 -91.000 HIS 263 0.900 -0.768 18.140 40.261 -99.200 -91.000 TRP 274 1.040 -8.059 11.921 61.453 -99.200 -91.000 TRP6 274 1.020 -8.380 11.712 63.785 -99.200 -91.000