============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 1 1.000 20.365 15.214 -39.260 -99.200 -91.000 PHE 6 1.000 24.462 2.788 -42.227 -99.200 -91.000 PHE 9 1.000 27.250 3.622 -29.134 -99.200 -91.000 TRP 19 1.040 24.437 24.644 -29.532 -99.200 -91.000 TRP6 19 1.020 23.297 23.961 -31.479 -99.200 -91.000 PHE 34 1.000 22.553 6.130 -20.506 -99.200 -91.000 TYR 41 0.840 22.318 31.256 -21.820 -99.200 -91.000 TYR 55 0.840 25.269 33.120 -14.166 -99.200 -91.000 PHE 65 1.000 9.856 18.177 -30.930 -99.200 -91.000 PHE 68 1.000 18.310 25.500 -23.463 -99.200 -91.000 TRP 72 1.040 19.212 33.625 -15.044 -99.200 -91.000 TRP6 72 1.020 20.909 33.542 -16.709 -99.200 -91.000 TRP 85 1.040 16.390 29.610 -23.220 -99.200 -91.000 TRP6 85 1.020 17.656 29.765 -21.243 -99.200 -91.000 TYR 88 0.840 11.114 23.829 -33.442 -99.200 -91.000 TRP 102 1.040 13.529 33.693 -23.689 -99.200 -91.000 TRP6 102 1.020 12.870 35.483 -22.276 -99.200 -91.000 TYR 106 0.840 10.820 39.494 -13.437 -99.200 -91.000 PHE 121 1.000 20.014 29.589 -27.383 -99.200 -91.000 TYR 123 0.840 27.764 23.326 -34.719 -99.200 -91.000