============================================================================= 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. PHE 2 1.000 26.002 27.230 0.188 -99.200 -91.000 HIS 4 0.900 14.648 31.529 2.649 -99.200 -91.000 PHE 5 1.000 21.418 33.529 7.371 -99.200 -91.000 HIS 9 0.900 10.668 46.540 8.459 -99.200 -91.000 HIS 13 0.900 14.359 52.190 10.778 -99.200 -91.000 TRP 16 1.040 14.111 51.325 4.038 -99.200 -91.000 TRP6 16 1.020 15.519 52.475 5.551 -99.200 -91.000 TRP 18 1.040 17.108 43.826 7.031 -99.200 -91.000 TRP6 18 1.020 18.435 43.270 8.886 -99.200 -91.000 HIS 19 0.900 21.720 49.878 1.365 -99.200 -91.000 HIS 30 0.900 24.609 31.788 4.039 -99.200 -91.000 PHE 53 1.000 5.541 44.855 17.226 -99.200 -91.000 TYR 56 0.840 5.326 46.281 12.305 -99.200 -91.000 PHE 63 1.000 9.413 34.248 2.766 -99.200 -91.000 TYR 92 0.840 3.302 30.084 10.055 -99.200 -91.000 PHE 101 1.000 15.766 37.292 19.445 -99.200 -91.000 HIS 102 0.900 21.567 43.824 13.428 -99.200 -91.000 HIS 111 0.900 8.844 38.880 33.378 -99.200 -91.000 TYR 115 0.840 9.557 42.183 32.188 -99.200 -91.000 PHE 124 1.000 17.123 56.746 23.811 -99.200 -91.000 TRP 127 1.040 12.159 57.088 22.468 -99.200 -91.000 TRP6 127 1.020 11.847 55.385 20.893 -99.200 -91.000 TYR 132 0.840 6.261 60.143 20.683 -99.200 -91.000 PHE 133 1.000 0.691 59.002 14.020 -99.200 -91.000 TYR 135 0.840 -3.134 54.125 14.473 -99.200 -91.000 PHE 149 1.000 13.993 63.667 8.915 -99.200 -91.000 TYR 157 0.840 19.883 55.067 10.364 -99.200 -91.000 TYR 165 0.840 20.761 61.616 9.090 -99.200 -91.000 PHE 178 1.000 0.984 48.498 16.080 -99.200 -91.000 PHE 187 1.000 2.029 36.813 30.205 -99.200 -91.000 PHE 188 1.000 5.373 37.336 22.234 -99.200 -91.000 TYR 193 0.840 10.207 34.218 21.889 -99.200 -91.000 TYR 200 0.840 20.671 40.406 23.002 -99.200 -91.000 TRP 202 1.040 25.619 42.572 23.361 -99.200 -91.000 TRP6 202 1.020 26.087 44.252 24.922 -99.200 -91.000 PHE 209 1.000 16.593 48.559 21.129 -99.200 -91.000 PHE 213 1.000 16.090 47.116 26.278 -99.200 -91.000 TRP 216 1.040 16.292 44.317 32.760 -99.200 -91.000 TRP6 216 1.020 14.549 43.930 31.213 -99.200 -91.000 TYR 221 0.840 13.447 33.920 26.999 -99.200 -91.000 TYR 227 0.840 28.052 34.660 17.664 -99.200 -91.000 HIS 234 0.900 19.552 50.410 17.189 -99.200 -91.000 TYR 255 0.840 22.227 27.369 17.118 -99.200 -91.000