============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 6 0.900 45.574 25.742 25.942 -99.200 -91.000 TYR 10 0.840 26.753 24.310 18.495 -99.200 -91.000 TRP 14 1.040 23.363 25.949 23.438 -99.200 -91.000 TRP6 14 1.020 22.451 24.991 25.402 -99.200 -91.000 TYR 25 0.840 21.340 37.418 24.751 -99.200 -91.000 TYR 53 0.840 17.465 39.091 22.151 -99.200 -91.000 HIS 59 0.900 13.717 42.046 14.207 -99.200 -91.000 TYR 73 0.840 34.549 30.802 18.197 -99.200 -91.000 PHE 78 1.000 24.069 33.526 17.650 -99.200 -91.000 TRP 83 1.040 26.144 35.088 11.306 -99.200 -91.000 TRP6 83 1.020 25.878 36.749 12.938 -99.200 -91.000 PHE 98 1.000 21.816 45.880 6.184 -99.200 -91.000 PHE 109 1.000 41.725 46.703 19.921 -99.200 -91.000 HIS 123 0.900 24.888 58.538 4.569 -99.200 -91.000 PHE 136 1.000 31.678 55.884 21.070 -99.200 -91.000 TRP 142 1.040 35.653 58.804 17.548 -99.200 -91.000 TRP6 142 1.020 34.747 57.470 15.816 -99.200 -91.000 PHE 144 1.000 31.157 59.765 24.768 -99.200 -91.000 PHE 147 1.000 30.049 58.341 17.153 -99.200 -91.000 PHE 162 1.000 17.996 57.698 24.096 -99.200 -91.000 TRP 165 1.040 23.817 49.865 24.556 -99.200 -91.000 TRP6 165 1.020 23.256 49.962 22.284 -99.200 -91.000 PHE 170 1.000 26.107 62.139 26.402 -99.200 -91.000 PHE 176 1.000 28.197 52.698 26.705 -99.200 -91.000 PHE 181 1.000 24.691 59.298 14.823 -99.200 -91.000