============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 17.843 52.538 48.303 -99.200 -91.000 HIS 25 0.900 5.610 50.217 52.228 -99.200 -91.000 PHE 38 1.000 6.908 44.641 39.005 -99.200 -91.000 TYR 62 0.840 10.288 33.418 50.030 -99.200 -91.000 PHE 70 1.000 14.272 38.369 42.114 -99.200 -91.000 PHE 90 1.000 14.536 33.375 47.375 -99.200 -91.000 TYR 98 0.840 13.743 47.210 34.490 -99.200 -91.000 TYR 101 0.840 18.038 49.977 32.356 -99.200 -91.000 TYR 102 0.840 22.411 55.116 27.697 -99.200 -91.000 TYR 103 0.840 23.193 50.322 25.754 -99.200 -91.000 HIS 110 0.900 20.332 41.896 18.247 -99.200 -91.000 TYR 114 0.840 16.495 41.364 28.510 -99.200 -91.000 PHE 115 1.000 11.404 41.311 27.558 -99.200 -91.000 HIS 124 0.900 9.599 30.765 40.821 -99.200 -91.000 TYR 127 0.840 3.321 37.762 36.129 -99.200 -91.000 TYR 129 0.840 7.863 47.934 34.851 -99.200 -91.000 TYR 131 0.840 7.708 53.560 32.918 -99.200 -91.000 PHE 150 1.000 6.909 38.533 27.988 -99.200 -91.000 HIS 162 0.900 0.866 49.416 24.240 -99.200 -91.000 TYR 166 0.840 0.550 44.339 26.198 -99.200 -91.000 TYR 176 0.840 -1.678 41.953 36.863 -99.200 -91.000 TYR 201 0.840 1.084 57.577 47.745 -99.200 -91.000 PHE 226 1.000 -13.066 61.404 38.394 -99.200 -91.000 HIS 228 0.900 -4.763 56.800 44.685 -99.200 -91.000 PHE 238 1.000 7.751 70.356 46.181 -99.200 -91.000 TYR 245 0.840 11.662 56.474 49.354 -99.200 -91.000 TYR 250 0.840 -0.052 63.663 55.890 -99.200 -91.000 PHE 251 1.000 -2.175 60.264 52.594 -99.200 -91.000 TYR 254 0.840 4.753 51.862 57.263 -99.200 -91.000 TYR 258 0.840 17.328 59.500 54.683 -99.200 -91.000 PHE 264 1.000 20.238 64.280 44.435 -99.200 -91.000