============================================================================= 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. HIS 10 0.900 80.310 30.263 80.074 -99.200 -91.000 PHE 12 1.000 86.076 21.138 79.113 -99.200 -91.000 HIS 19 0.900 86.306 10.535 91.573 -99.200 -91.000 PHE 25 1.000 81.199 23.684 78.646 -99.200 -91.000 PHE 28 1.000 70.002 15.592 75.617 -99.200 -91.000 TYR 31 0.840 63.903 13.162 84.729 -99.200 -91.000 PHE 39 1.000 88.780 11.779 81.425 -99.200 -91.000 HIS 48 0.900 83.245 4.025 87.727 -99.200 -91.000 PHE 49 1.000 77.652 -4.509 85.155 -99.200 -91.000 HIS 50 0.900 79.674 0.029 80.092 -99.200 -91.000 HIS 55 0.900 77.381 4.719 70.591 -99.200 -91.000 TYR 56 0.840 86.325 11.330 67.365 -99.200 -91.000 TRP 62 1.040 90.779 7.303 76.290 -99.200 -91.000 TRP6 62 1.020 89.406 5.427 76.655 -99.200 -91.000 TYR 63 0.840 96.089 2.004 79.896 -99.200 -91.000 TYR 64 0.840 87.494 1.461 78.771 -99.200 -91.000 TYR 67 0.840 89.206 -5.164 76.578 -99.200 -91.000 TYR 77 0.840 82.510 4.726 67.924 -99.200 -91.000 TYR 79 0.840 78.520 -0.676 70.812 -99.200 -91.000 HIS 86 0.900 83.899 1.328 81.421 -99.200 -91.000 PHE 88 1.000 89.669 7.581 80.884 -99.200 -91.000 PHE 102 1.000 81.441 10.781 78.491 -99.200 -91.000 PHE 110 1.000 79.707 -3.986 91.578 -99.200 -91.000 TYR 116 0.840 75.482 -1.114 95.258 -99.200 -91.000 TRP 128 1.040 78.178 13.774 91.930 -99.200 -91.000 TRP6 128 1.020 79.516 11.973 91.129 -99.200 -91.000 TYR 142 0.840 73.328 21.088 82.419 -99.200 -91.000 TYR 150 0.840 49.139 12.625 84.948 -99.200 -91.000