============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 7 1.000 12.575 21.663 46.100 -99.200 -91.000 HIS 8 0.900 6.300 19.789 52.040 -99.200 -91.000 TYR 13 0.840 19.289 9.854 55.496 -99.200 -91.000 PHE 17 1.000 16.347 19.129 50.555 -99.200 -91.000 PHE 26 1.000 27.847 28.109 44.877 -99.200 -91.000 TYR 30 0.840 21.027 12.750 36.927 -99.200 -91.000 PHE 31 1.000 14.663 17.390 38.859 -99.200 -91.000 PHE 33 1.000 14.570 5.456 35.717 -99.200 -91.000 TRP 50 1.040 32.251 16.636 37.624 -99.200 -91.000 TRP6 50 1.020 30.121 17.212 36.773 -99.200 -91.000 TYR 58 0.840 39.651 23.495 42.179 -99.200 -91.000 PHE 66 1.000 18.747 9.735 41.869 -99.200 -91.000 TYR 82 0.840 20.108 4.042 41.825 -99.200 -91.000 PHE 86 1.000 25.419 5.088 41.851 -99.200 -91.000 HIS 87 0.900 30.771 11.757 47.375 -99.200 -91.000 PHE 97 1.000 2.719 8.673 40.940 -99.200 -91.000 TYR 107 0.840 14.831 22.740 40.012 -99.200 -91.000 TYR 110 0.840 8.935 18.271 28.435 -99.200 -91.000 PHE 111 1.000 5.980 12.626 37.332 -99.200 -91.000 TYR 123 0.840 7.385 1.837 36.016 -99.200 -91.000 HIS 127 0.900 16.526 9.970 33.193 -99.200 -91.000 PHE 130 1.000 20.902 19.517 30.010 -99.200 -91.000 PHE 131 1.000 25.040 15.606 37.312 -99.200 -91.000 TYR 132 0.840 18.313 20.860 35.896 -99.200 -91.000 PHE 140 1.000 19.623 27.511 35.716 -99.200 -91.000 TYR 148 0.840 29.908 22.084 31.152 -99.200 -91.000 HIS 160 0.900 28.605 29.174 36.669 -99.200 -91.000 TYR 164 0.840 26.491 33.642 45.738 -99.200 -91.000