============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 13 1.000 31.246 12.498 50.611 -99.200 -91.000 HIS 14 0.900 29.081 5.419 46.298 -99.200 -91.000 PHE 15 1.000 25.809 2.614 54.206 -99.200 -91.000 PHE 20 1.000 17.732 -6.387 56.244 -99.200 -91.000 TRP 24 1.040 17.523 2.014 58.429 -99.200 -91.000 TRP6 24 1.020 15.312 2.565 57.784 -99.200 -91.000 PHE 28 1.000 21.951 9.952 64.620 -99.200 -91.000 TYR 30 0.840 30.496 2.916 62.895 -99.200 -91.000 HIS 33 0.900 28.965 5.472 70.337 -99.200 -91.000 PHE 41 1.000 25.015 13.356 72.007 -99.200 -91.000 PHE 49 1.000 16.856 13.167 70.539 -99.200 -91.000 TYR 57 0.840 11.523 11.783 61.063 -99.200 -91.000 TYR 62 0.840 12.278 11.951 49.775 -99.200 -91.000 HIS 63 0.900 9.570 15.036 52.322 -99.200 -91.000 TRP 65 1.040 13.668 5.697 61.753 -99.200 -91.000 TRP6 65 1.020 14.775 7.376 63.015 -99.200 -91.000 HIS 67 0.900 14.467 13.022 53.800 -99.200 -91.000 HIS 73 0.900 26.107 7.952 54.763 -99.200 -91.000 TYR 76 0.840 30.150 8.946 59.727 -99.200 -91.000 PHE 86 1.000 31.809 22.290 59.261 -99.200 -91.000 HIS 101 0.900 15.836 16.457 57.448 -99.200 -91.000 HIS 105 0.900 7.050 16.491 55.229 -99.200 -91.000 PHE 108 1.000 -0.707 16.057 52.219 -99.200 -91.000 TYR 112 0.840 -2.802 20.211 50.764 -99.200 -91.000 PHE 116 1.000 -6.858 21.271 54.780 -99.200 -91.000 HIS 118 0.900 -2.330 21.738 59.446 -99.200 -91.000 TYR 124 0.840 5.383 26.819 63.938 -99.200 -91.000 HIS 132 0.900 4.861 20.268 63.735 -99.200 -91.000 HIS 133 0.900 9.645 19.109 59.709 -99.200 -91.000 PHE 134 1.000 14.336 24.576 67.366 -99.200 -91.000 HIS 146 0.900 12.756 10.699 75.700 -99.200 -91.000 PHE 149 1.000 22.041 18.314 72.356 -99.200 -91.000 TYR 157 0.840 19.135 22.561 76.267 -99.200 -91.000 TYR 176 0.840 20.066 25.894 46.602 -99.200 -91.000 PHE 177 1.000 15.771 27.746 44.647 -99.200 -91.000 TYR 187 0.840 35.024 29.511 45.550 -99.200 -91.000 HIS 195 0.900 38.568 31.373 61.109 -99.200 -91.000 HIS 199 0.900 31.004 35.756 55.601 -99.200 -91.000 TRP 220 1.040 19.968 5.089 36.477 -99.200 -91.000 TRP6 220 1.020 18.702 7.099 36.466 -99.200 -91.000 TYR 231 0.840 8.616 13.023 40.293 -99.200 -91.000 PHE 234 1.000 7.459 16.630 45.250 -99.200 -91.000 TRP 235 1.040 3.030 12.494 40.352 -99.200 -91.000 TRP6 235 1.020 4.026 10.455 39.669 -99.200 -91.000 PHE 267 1.000 15.957 19.031 42.487 -99.200 -91.000 TYR 268 0.840 19.603 15.454 38.904 -99.200 -91.000 TYR 276 0.840 24.671 17.794 45.976 -99.200 -91.000 TRP 300 1.040 17.069 11.888 36.216 -99.200 -91.000 TRP6 300 1.020 15.056 10.630 36.124 -99.200 -91.000