============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 16 1.000 8.476 23.062 80.692 -99.200 -91.000 PHE 19 1.000 12.412 15.780 85.777 -99.200 -91.000 HIS 37 0.900 19.626 31.723 87.898 -99.200 -91.000 TYR 38 0.840 18.827 25.223 87.210 -99.200 -91.000 TYR 49 0.840 14.437 23.345 89.716 -99.200 -91.000 PHE 51 1.000 19.841 20.865 92.944 -99.200 -91.000 PHE 55 1.000 25.052 9.713 95.824 -99.200 -91.000 HIS 64 0.900 43.167 10.289 89.551 -99.200 -91.000 TYR 66 0.840 34.514 16.478 94.636 -99.200 -91.000 PHE 78 1.000 20.609 15.379 96.153 -99.200 -91.000 PHE 85 1.000 16.210 26.652 97.534 -99.200 -91.000 HIS 94 0.900 28.434 4.341 91.025 -99.200 -91.000 HIS 97 0.900 24.924 -1.916 100.895 -99.200 -91.000 PHE 114 1.000 27.477 4.089 83.747 -99.200 -91.000 PHE 139 1.000 23.615 0.750 74.330 -99.200 -91.000 PHE 152 1.000 13.505 -0.006 86.859 -99.200 -91.000 HIS 153 0.900 5.476 -2.227 84.509 -99.200 -91.000 PHE 169 1.000 22.715 10.475 61.411 -99.200 -91.000 TYR 171 0.840 32.656 5.419 63.021 -99.200 -91.000 PHE 181 1.000 10.922 12.725 72.271 -99.200 -91.000 PHE 195 1.000 14.762 16.199 73.685 -99.200 -91.000 HIS 199 0.900 24.256 12.103 76.114 -99.200 -91.000 PHE 225 1.000 17.944 14.960 83.060 -99.200 -91.000 HIS 229 0.900 21.746 38.258 81.638 -99.200 -91.000 PHE 234 1.000 15.997 26.314 76.944 -99.200 -91.000