============================================================================= 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. TRP 7 1.040 64.167 11.110 19.668 -99.200 -91.000 TRP6 7 1.020 65.563 10.025 18.097 -99.200 -91.000 TYR 8 0.840 65.191 6.319 26.118 -99.200 -91.000 PHE 15 1.000 65.922 15.730 26.646 -99.200 -91.000 TYR 29 0.840 64.873 15.388 31.924 -99.200 -91.000 TYR 40 0.840 62.350 20.523 34.992 -99.200 -91.000 TYR 46 0.840 60.053 18.964 12.076 -99.200 -91.000 TRP 61 1.040 65.428 19.834 22.519 -99.200 -91.000 TRP6 61 1.020 66.087 18.082 21.076 -99.200 -91.000 TRP 65 1.040 67.346 22.932 32.436 -99.200 -91.000 TRP6 65 1.020 66.458 20.820 31.837 -99.200 -91.000 TYR 69 0.840 55.102 20.271 41.758 -99.200 -91.000 HIS 73 0.900 66.180 30.775 39.674 -99.200 -91.000 TRP 78 1.040 70.248 19.089 24.045 -99.200 -91.000 TRP6 78 1.020 68.897 19.738 25.868 -99.200 -91.000 TYR 82 0.840 65.105 11.659 12.304 -99.200 -91.000 TRP 94 1.040 75.030 19.611 25.733 -99.200 -91.000 TRP6 94 1.020 75.961 20.636 27.654 -99.200 -91.000 TRP 106 1.040 83.389 35.785 33.749 -99.200 -91.000 TRP6 106 1.020 84.761 33.912 33.381 -99.200 -91.000 HIS 113 0.900 79.396 14.539 22.741 -99.200 -91.000 PHE 116 1.000 69.290 14.039 22.840 -99.200 -91.000