============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 8 1.000 13.391 1.641 59.122 -99.200 -91.000 PHE 16 1.000 13.732 5.362 47.609 -99.200 -91.000 TYR 22 0.840 18.481 17.760 47.797 -99.200 -91.000 TRP 28 1.040 14.146 27.156 38.175 -99.200 -91.000 TRP6 28 1.020 15.846 28.716 38.722 -99.200 -91.000 PHE 29 1.000 19.863 25.811 41.509 -99.200 -91.000 TRP 34 1.040 21.470 30.139 37.953 -99.200 -91.000 TRP6 34 1.020 22.867 31.803 38.916 -99.200 -91.000 TYR 40 0.840 25.304 21.189 47.490 -99.200 -91.000 HIS 51 0.900 21.538 9.566 53.249 -99.200 -91.000 PHE 55 1.000 16.271 5.389 57.160 -99.200 -91.000 PHE 58 1.000 17.771 -1.476 61.070 -99.200 -91.000 TRP 80 1.040 11.857 26.382 43.377 -99.200 -91.000 TRP6 80 1.020 12.604 24.236 42.723 -99.200 -91.000 TRP 87 1.040 20.782 27.467 46.477 -99.200 -91.000 TRP6 87 1.020 21.970 25.532 47.162 -99.200 -91.000 HIS 112 0.900 10.885 0.487 76.261 -99.200 -91.000 PHE 114 1.000 16.832 0.338 74.340 -99.200 -91.000 PHE 119 1.000 19.447 2.314 59.623 -99.200 -91.000 PHE 123 1.000 20.904 7.110 57.947 -99.200 -91.000 HIS 124 0.900 18.587 10.738 65.042 -99.200 -91.000 PHE 159 1.000 27.438 26.048 44.858 -99.200 -91.000