============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 87.291 5.929 67.730 -99.200 -91.000 PHE 29 1.000 86.713 -0.131 68.840 -99.200 -91.000 TYR 32 0.840 82.031 7.345 67.366 -99.200 -91.000 HIS 35 0.900 81.285 0.263 58.329 -99.200 -91.000 TRP 36 1.040 87.989 -5.026 59.076 -99.200 -91.000 TRP6 36 1.020 90.283 -4.496 59.364 -99.200 -91.000 TRP 47 1.040 80.945 -2.384 53.942 -99.200 -91.000 TRP6 47 1.020 79.155 -3.930 53.901 -99.200 -91.000 TRP 53 1.040 75.632 0.299 69.540 -99.200 -91.000 TRP6 53 1.020 75.257 0.659 71.852 -99.200 -91.000 TYR 60 0.840 80.350 -10.820 57.707 -99.200 -91.000 PHE 68 1.000 87.533 -12.103 53.498 -99.200 -91.000 TYR 80 0.840 90.825 -8.490 67.181 -99.200 -91.000 TYR 94 0.840 91.558 -6.855 52.640 -99.200 -91.000 TYR 95 0.840 92.764 1.897 52.659 -99.200 -91.000 PHE 102 1.000 75.470 5.477 69.628 -99.200 -91.000 HIS 103 0.900 72.613 1.797 65.258 -99.200 -91.000 TYR 104 0.840 75.978 -3.453 59.141 -99.200 -91.000 TRP 109 1.040 88.034 6.239 55.481 -99.200 -91.000 TRP6 109 1.020 87.637 4.564 53.851 -99.200 -91.000 PHE 128 1.000 124.421 -6.436 44.578 -99.200 -91.000 TYR 151 0.840 111.580 -6.584 44.691 -99.200 -91.000 PHE 152 1.000 106.704 -12.501 40.715 -99.200 -91.000 TRP 160 1.040 117.653 4.223 53.959 -99.200 -91.000 TRP6 160 1.020 119.868 3.691 53.288 -99.200 -91.000 HIS 170 0.900 111.721 9.469 46.454 -99.200 -91.000 PHE 172 1.000 113.574 7.479 43.627 -99.200 -91.000 TYR 182 0.840 107.574 -6.552 40.149 -99.200 -91.000 TYR 200 0.840 124.392 7.929 57.075 -99.200 -91.000 HIS 206 0.900 110.382 -10.334 48.392 -99.200 -91.000