============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 142.421 89.519 72.202 -99.200 -91.000 TYR 20 0.840 127.960 72.655 58.879 -99.200 -91.000 TYR 28 0.840 124.558 75.939 64.156 -99.200 -91.000 HIS 29 0.900 121.767 82.258 58.925 -99.200 -91.000 TYR 31 0.840 130.110 78.773 62.601 -99.200 -91.000 TRP 47 1.040 148.825 84.644 69.516 -99.200 -91.000 TRP6 47 1.020 147.353 86.433 69.986 -99.200 -91.000 PHE 53 1.000 128.495 74.118 63.964 -99.200 -91.000 TYR 57 0.840 129.085 69.515 68.406 -99.200 -91.000 HIS 61 0.900 126.254 80.294 76.428 -99.200 -91.000 HIS 84 0.900 152.245 69.089 79.881 -99.200 -91.000 TRP 88 1.040 143.220 69.083 83.030 -99.200 -91.000 TRP6 88 1.020 142.104 69.908 81.082 -99.200 -91.000 HIS 98 0.900 131.646 75.763 83.015 -99.200 -91.000 TRP 110 1.040 150.093 71.896 75.833 -99.200 -91.000 TRP6 110 1.020 151.712 70.205 75.627 -99.200 -91.000 HIS 154 0.900 133.486 69.047 49.085 -99.200 -91.000 PHE 159 1.000 139.079 68.593 50.328 -99.200 -91.000 HIS 162 0.900 134.333 62.891 50.070 -99.200 -91.000 TRP 194 1.040 137.336 56.433 56.745 -99.200 -91.000 TRP6 194 1.020 136.619 58.146 58.199 -99.200 -91.000 TYR 195 0.840 132.620 58.320 50.536 -99.200 -91.000 HIS 207 0.900 115.951 58.385 61.256 -99.200 -91.000 TRP 230 1.040 127.422 55.448 77.797 -99.200 -91.000 TRP6 230 1.020 129.338 56.645 77.080 -99.200 -91.000 PHE 307 1.000 144.405 73.924 59.151 -99.200 -91.000 HIS 312 0.900 152.091 72.675 64.676 -99.200 -91.000 HIS 320 0.900 148.053 51.982 63.337 -99.200 -91.000 PHE 371 1.000 140.741 88.273 84.011 -99.200 -91.000