============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 27.977 103.513 17.963 -99.200 -91.000 TYR 12 0.840 18.148 105.544 15.475 -99.200 -91.000 TRP 14 1.040 23.548 114.190 11.018 -99.200 -91.000 TRP6 14 1.020 24.481 112.547 9.606 -99.200 -91.000 HIS 21 0.900 35.288 116.639 -9.893 -99.200 -91.000 TYR 22 0.840 37.925 121.054 -5.803 -99.200 -91.000 TRP 24 1.040 41.272 120.545 2.799 -99.200 -91.000 TRP6 24 1.020 40.427 122.547 1.894 -99.200 -91.000 PHE 46 1.000 41.758 110.667 -1.887 -99.200 -91.000 HIS 48 0.900 47.628 112.921 4.693 -99.200 -91.000 HIS 57 0.900 61.457 117.300 0.853 -99.200 -91.000 PHE 60 1.000 55.398 104.138 0.644 -99.200 -91.000 TYR 68 0.840 43.603 106.108 -4.851 -99.200 -91.000 HIS 77 0.900 42.012 122.752 -9.310 -99.200 -91.000 HIS 83 0.900 44.404 124.968 11.967 -99.200 -91.000 HIS 90 0.900 50.247 128.477 19.069 -99.200 -91.000 TRP 104 1.040 54.481 115.250 11.771 -99.200 -91.000 TRP6 104 1.020 54.344 113.841 9.882 -99.200 -91.000 HIS 107 0.900 60.613 116.478 8.448 -99.200 -91.000 TRP 112 1.040 61.444 129.625 14.095 -99.200 -91.000 TRP6 112 1.020 61.069 128.901 16.307 -99.200 -91.000 PHE 113 1.000 69.053 127.748 10.496 -99.200 -91.000 HIS 115 0.900 61.234 130.977 4.989 -99.200 -91.000 HIS 117 0.900 67.093 139.230 8.471 -99.200 -91.000 TYR 141 0.840 60.276 125.367 -3.436 -99.200 -91.000 TRP 153 1.040 52.784 120.234 -12.970 -99.200 -91.000 TRP6 153 1.020 54.034 121.081 -11.169 -99.200 -91.000 HIS 162 0.900 44.896 125.759 -6.399 -99.200 -91.000 TRP 164 1.040 43.943 128.576 -1.089 -99.200 -91.000 TRP6 164 1.020 42.189 127.120 -1.704 -99.200 -91.000 PHE 166 1.000 38.427 128.348 8.655 -99.200 -91.000 PHE 172 1.000 36.028 136.776 5.299 -99.200 -91.000 TYR 190 0.840 59.595 128.856 -1.978 -99.200 -91.000