============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 8 1.040 18.047 21.342 35.967 -99.200 -91.000 TRP6 8 1.020 17.290 20.543 38.060 -99.200 -91.000 PHE 12 1.000 22.765 16.595 52.174 -99.200 -91.000 PHE 19 1.000 34.395 22.069 50.470 -99.200 -91.000 TRP 28 1.040 28.623 25.135 35.293 -99.200 -91.000 TRP6 28 1.020 27.449 25.215 37.331 -99.200 -91.000 TRP 37 1.040 21.792 23.623 50.049 -99.200 -91.000 TRP6 37 1.020 21.212 23.639 47.766 -99.200 -91.000 TYR 50 0.840 12.090 37.790 36.191 -99.200 -91.000 TRP 71 1.040 26.710 31.669 47.684 -99.200 -91.000 TRP6 71 1.020 27.352 30.374 45.820 -99.200 -91.000 TYR 80 0.840 8.932 37.986 26.297 -99.200 -91.000 TRP 82 1.040 14.860 34.505 36.068 -99.200 -91.000 TRP6 82 1.020 16.205 33.402 37.674 -99.200 -91.000 PHE 94 1.000 38.328 32.957 55.804 -99.200 -91.000 TYR 101 0.840 25.069 31.932 32.103 -99.200 -91.000 TRP 102 1.040 22.568 26.214 36.729 -99.200 -91.000 TRP6 102 1.020 22.621 26.643 39.038 -99.200 -91.000 HIS 105 0.900 18.703 26.562 27.993 -99.200 -91.000 TRP 116 1.040 14.596 26.564 52.681 -99.200 -91.000 TRP6 116 1.020 16.953 26.606 52.931 -99.200 -91.000