============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 11 1.000 90.875 50.769 17.617 -99.200 -91.000 TYR 23 0.840 95.994 37.599 20.298 -99.200 -91.000 TYR 39 0.840 89.694 55.554 5.058 -99.200 -91.000 HIS 42 0.900 93.128 58.022 -1.254 -99.200 -91.000 HIS 43 0.900 92.472 65.983 0.969 -99.200 -91.000 PHE 48 1.000 89.637 58.317 15.816 -99.200 -91.000 HIS 51 0.900 79.965 51.492 25.633 -99.200 -91.000 PHE 58 1.000 81.406 63.054 26.952 -99.200 -91.000 TRP 63 1.040 84.662 59.038 26.610 -99.200 -91.000 TRP6 63 1.020 85.659 60.965 25.682 -99.200 -91.000 PHE 66 1.000 93.770 51.931 23.525 -99.200 -91.000 PHE 76 1.000 83.131 64.186 10.093 -99.200 -91.000 PHE 77 1.000 86.866 62.910 17.559 -99.200 -91.000 HIS 82 0.900 73.851 47.546 22.515 -99.200 -91.000 PHE 86 1.000 75.267 51.957 12.170 -99.200 -91.000 TYR 87 0.840 69.684 50.659 21.371 -99.200 -91.000 PHE 112 1.000 81.398 40.960 24.513 -99.200 -91.000 HIS 121 0.900 74.638 42.655 5.229 -99.200 -91.000 TYR 125 0.840 75.421 52.906 6.311 -99.200 -91.000 HIS 140 0.900 83.265 29.838 29.598 -99.200 -91.000 HIS 149 0.900 82.656 31.676 16.206 -99.200 -91.000 HIS 150 0.900 82.395 36.823 17.145 -99.200 -91.000 TRP 154 1.040 82.341 39.774 11.863 -99.200 -91.000 TRP6 154 1.020 84.205 40.754 12.940 -99.200 -91.000 PHE 158 1.000 76.921 39.514 8.987 -99.200 -91.000 PHE 161 1.000 88.271 40.184 7.205 -99.200 -91.000