============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 39 0.840 100.623 86.579 5.542 -99.200 -91.000 TYR 40 0.840 95.831 88.352 4.814 -99.200 -91.000 PHE 41 1.000 91.793 86.584 9.404 -99.200 -91.000 HIS 79 0.900 73.357 103.583 20.658 -99.200 -91.000 TYR 87 0.840 73.675 94.281 18.620 -99.200 -91.000 TYR 88 0.840 67.439 90.949 10.104 -99.200 -91.000 TYR 90 0.840 77.623 92.088 10.689 -99.200 -91.000 TYR 92 0.840 78.248 86.675 13.215 -99.200 -91.000 TYR 115 0.840 85.537 94.657 20.981 -99.200 -91.000 HIS 120 0.900 77.338 100.335 32.691 -99.200 -91.000 TYR 123 0.840 73.418 101.911 26.156 -99.200 -91.000 PHE 126 1.000 70.770 109.467 25.867 -99.200 -91.000 PHE 136 1.000 65.638 108.519 28.126 -99.200 -91.000 PHE 144 1.000 68.436 100.938 27.364 -99.200 -91.000 TYR 145 0.840 76.442 96.127 27.617 -99.200 -91.000 PHE 146 1.000 74.928 92.427 30.472 -99.200 -91.000 PHE 155 1.000 67.164 91.533 15.793 -99.200 -91.000 PHE 156 1.000 71.932 81.653 17.201 -99.200 -91.000 HIS 164 0.900 66.739 73.881 12.524 -99.200 -91.000 PHE 166 1.000 57.277 80.066 13.361 -99.200 -91.000 TYR 179 0.840 62.246 89.572 17.483 -99.200 -91.000 HIS 182 0.900 58.160 93.086 18.904 -99.200 -91.000 PHE 186 1.000 58.871 94.965 24.676 -99.200 -91.000