============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TRP 3 1.040 22.108 62.621 75.495 -99.200 -91.000 TRP6 3 1.020 22.162 60.988 73.788 -99.200 -91.000 TYR 6 0.840 18.279 61.017 70.620 -99.200 -91.000 TYR 24 0.840 27.347 50.357 77.346 -99.200 -91.000 TRP 31 1.040 24.252 59.637 79.493 -99.200 -91.000 TRP6 31 1.020 25.332 59.160 77.444 -99.200 -91.000 PHE 39 1.000 12.708 51.515 81.655 -99.200 -91.000 PHE 58 1.000 20.914 37.768 82.262 -99.200 -91.000 TYR 59 0.840 18.558 33.327 80.918 -99.200 -91.000 PHE 83 1.000 24.174 45.301 67.483 -99.200 -91.000 PHE 98 1.000 2.758 47.531 83.021 -99.200 -91.000 HIS 119 0.900 3.892 40.800 70.607 -99.200 -91.000 TYR 128 0.840 17.590 46.205 65.381 -99.200 -91.000 HIS 133 0.900 19.448 58.527 65.014 -99.200 -91.000 TYR 139 0.840 26.828 60.242 70.643 -99.200 -91.000