============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 7 1.000 3.873 18.804 53.530 -99.200 -91.000 PHE 9 1.000 8.957 24.952 51.191 -99.200 -91.000 PHE 20 1.000 7.907 30.542 49.037 -99.200 -91.000 PHE 26 1.000 -0.504 20.799 48.902 -99.200 -91.000 TYR 39 0.840 0.210 10.402 57.148 -99.200 -91.000 PHE 41 1.000 2.516 15.865 58.437 -99.200 -91.000 PHE 46 1.000 12.820 22.120 44.791 -99.200 -91.000 TYR 50 0.840 19.638 20.971 47.171 -99.200 -91.000 PHE 54 1.000 8.020 21.440 59.371 -99.200 -91.000 PHE 56 1.000 10.539 13.348 59.268 -99.200 -91.000 TYR 59 0.840 3.800 17.245 63.097 -99.200 -91.000 HIS 71 0.900 11.919 31.747 62.751 -99.200 -91.000 HIS 74 0.900 9.991 32.711 46.550 -99.200 -91.000 PHE 82 1.000 16.247 15.569 37.748 -99.200 -91.000 TYR 87 0.840 19.088 18.700 52.223 -99.200 -91.000 PHE 93 1.000 12.261 10.583 54.386 -99.200 -91.000 TYR 130 0.840 1.609 10.138 47.154 -99.200 -91.000 HIS 137 0.900 3.034 25.385 34.707 -99.200 -91.000 PHE 138 1.000 2.622 21.397 35.704 -99.200 -91.000 HIS 148 0.900 3.636 11.126 33.481 -99.200 -91.000 PHE 150 1.000 11.419 16.011 38.599 -99.200 -91.000 PHE 158 1.000 2.384 6.654 43.534 -99.200 -91.000 PHE 165 1.000 -5.573 19.019 48.221 -99.200 -91.000 PHE 172 1.000 -5.421 14.292 52.824 -99.200 -91.000