============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 29 1.000 25.627 15.794 74.958 -99.200 -91.000 TYR 32 0.840 23.847 16.429 83.028 -99.200 -91.000 PHE 34 1.000 21.017 16.942 77.346 -99.200 -91.000 TRP 36 1.040 14.774 18.727 71.726 -99.200 -91.000 TRP6 36 1.020 15.413 20.972 71.356 -99.200 -91.000 TRP 47 1.040 7.971 14.860 77.581 -99.200 -91.000 TRP6 47 1.020 7.950 12.872 76.316 -99.200 -91.000 HIS 59 0.900 12.365 5.706 74.414 -99.200 -91.000 TYR 60 0.840 11.295 10.792 68.668 -99.200 -91.000 HIS 63 0.900 1.449 15.526 69.633 -99.200 -91.000 TYR 80 0.840 22.572 18.843 66.266 -99.200 -91.000 TYR 94 0.840 8.929 23.693 68.595 -99.200 -91.000 PHE 95 1.000 10.753 27.261 76.775 -99.200 -91.000 TYR 100 0.840 24.303 13.213 87.391 -99.200 -91.000 TYR 109 0.840 20.059 6.904 81.824 -99.200 -91.000 PHE 113 1.000 14.024 14.801 88.386 -99.200 -91.000 HIS 116 0.900 20.955 21.447 84.984 -99.200 -91.000 TRP 117 1.040 13.560 23.549 82.271 -99.200 -91.000 TRP6 117 1.020 11.685 22.989 80.941 -99.200 -91.000 PHE 136 1.000 -0.800 53.313 60.503 -99.200 -91.000 TYR 159 0.840 4.484 42.965 64.548 -99.200 -91.000 PHE 160 1.000 5.418 35.979 59.355 -99.200 -91.000 TRP 168 1.040 6.282 54.758 74.671 -99.200 -91.000 TRP6 168 1.020 5.145 56.238 73.220 -99.200 -91.000 HIS 178 0.900 -0.253 50.067 81.280 -99.200 -91.000 PHE 180 1.000 -2.534 47.065 76.108 -99.200 -91.000 TYR 190 0.840 2.504 37.521 64.712 -99.200 -91.000 TYR 208 0.840 4.908 62.608 76.359 -99.200 -91.000 HIS 214 0.900 9.761 43.046 62.215 -99.200 -91.000