============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 13.107 29.643 28.070 -99.200 -91.000 HIS 24 0.900 27.414 5.939 5.777 -99.200 -91.000 PHE 26 1.000 23.975 10.411 12.710 -99.200 -91.000 TYR 38 0.840 24.494 34.883 34.486 -99.200 -91.000 PHE 45 1.000 24.900 18.176 22.161 -99.200 -91.000 TRP 56 1.040 31.214 14.308 18.085 -99.200 -91.000 TRP6 56 1.020 29.008 13.885 18.820 -99.200 -91.000 PHE 63 1.000 23.909 17.334 18.235 -99.200 -91.000 PHE 67 1.000 17.733 27.317 27.391 -99.200 -91.000 TYR 70 0.840 16.296 38.150 22.067 -99.200 -91.000 HIS 73 0.900 18.608 47.388 24.202 -99.200 -91.000 HIS 77 0.900 12.321 44.011 19.138 -99.200 -91.000 PHE 79 1.000 9.190 32.590 17.096 -99.200 -91.000 PHE 80 1.000 14.651 32.346 18.405 -99.200 -91.000 TYR 88 0.840 11.646 27.445 18.878 -99.200 -91.000 PHE 95 1.000 21.268 24.057 0.228 -99.200 -91.000 PHE 96 1.000 27.672 20.657 6.013 -99.200 -91.000 TYR 102 0.840 24.551 17.485 8.103 -99.200 -91.000 PHE 110 1.000 10.359 25.086 29.162 -99.200 -91.000 PHE 126 1.000 26.819 15.763 3.624 -99.200 -91.000 HIS 135 0.900 34.452 11.570 10.747 -99.200 -91.000 TYR 139 0.840 35.655 18.494 19.581 -99.200 -91.000 TYR 141 0.840 30.450 25.926 15.601 -99.200 -91.000 HIS 144 0.900 28.128 32.597 13.149 -99.200 -91.000 TYR 147 0.840 19.275 40.969 8.980 -99.200 -91.000 PHE 161 1.000 22.948 30.224 10.806 -99.200 -91.000 HIS 165 0.900 31.289 23.541 10.325 -99.200 -91.000 HIS 177 0.900 24.025 26.298 9.182 -99.200 -91.000 TYR 178 0.840 19.869 29.220 2.363 -99.200 -91.000 HIS 195 0.900 16.533 40.141 16.893 -99.200 -91.000 TYR 196 0.840 23.060 42.311 12.921 -99.200 -91.000 TYR 199 0.840 23.899 31.982 17.803 -99.200 -91.000 HIS 213 0.900 33.004 12.822 24.978 -99.200 -91.000 PHE 219 1.000 29.017 32.031 27.807 -99.200 -91.000 HIS 227 0.900 20.706 50.610 24.816 -99.200 -91.000