============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 6 1.000 62.490 117.519 -2.776 -99.200 -91.000 HIS 27 0.900 57.576 106.326 7.779 -99.200 -91.000 PHE 28 1.000 62.074 111.939 4.931 -99.200 -91.000 TRP 29 1.040 61.224 103.706 5.023 -99.200 -91.000 TRP6 29 1.020 62.133 101.633 4.364 -99.200 -91.000 TRP 32 1.040 70.101 100.899 9.708 -99.200 -91.000 TRP6 32 1.020 70.378 102.287 11.599 -99.200 -91.000 PHE 43 1.000 54.035 104.670 7.518 -99.200 -91.000 PHE 46 1.000 47.583 105.186 5.109 -99.200 -91.000 TYR 47 0.840 50.093 101.203 -1.264 -99.200 -91.000 HIS 50 0.900 43.472 104.045 -2.210 -99.200 -91.000 PHE 75 1.000 63.559 95.848 5.623 -99.200 -91.000 PHE 83 1.000 55.418 100.784 2.515 -99.200 -91.000 TYR 96 0.840 60.268 117.559 3.226 -99.200 -91.000 HIS 97 0.900 65.294 121.931 7.752 -99.200 -91.000 PHE 105 1.000 58.255 115.850 7.932 -99.200 -91.000 TRP 128 1.040 48.406 112.592 10.608 -99.200 -91.000 TRP6 128 1.020 50.709 112.508 10.121 -99.200 -91.000