============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 58.793 64.137 14.503 -99.200 -91.000 PHE 19 1.000 37.982 61.758 12.387 -99.200 -91.000 TRP 24 1.040 45.068 71.894 13.040 -99.200 -91.000 TRP6 24 1.020 47.128 71.483 11.923 -99.200 -91.000 PHE 30 1.000 54.853 65.847 18.377 -99.200 -91.000 TYR 40 0.840 44.972 72.167 7.285 -99.200 -91.000 TYR 49 0.840 41.269 60.235 -1.237 -99.200 -91.000 PHE 56 1.000 51.747 66.586 3.819 -99.200 -91.000 PHE 70 1.000 35.125 58.124 1.679 -99.200 -91.000 PHE 82 1.000 57.251 57.623 -0.976 -99.200 -91.000 PHE 87 1.000 53.099 56.704 4.975 -99.200 -91.000 PHE 105 1.000 39.840 56.785 18.115 -99.200 -91.000 PHE 112 1.000 25.002 49.225 26.201 -99.200 -91.000 PHE 132 1.000 23.048 56.344 14.311 -99.200 -91.000 PHE 144 1.000 30.567 56.699 15.647 -99.200 -91.000 PHE 148 1.000 21.144 56.118 19.702 -99.200 -91.000 PHE 169 1.000 31.545 61.261 7.673 -99.200 -91.000 TYR 183 0.840 14.827 67.091 16.406 -99.200 -91.000 PHE 191 1.000 25.268 59.023 18.848 -99.200 -91.000 TRP 216 1.040 15.774 66.750 25.206 -99.200 -91.000 TRP6 216 1.020 16.955 68.039 26.809 -99.200 -91.000 TYR 225 0.840 25.781 71.993 28.238 -99.200 -91.000 TYR 230 0.840 17.334 76.283 24.132 -99.200 -91.000 TYR 257 0.840 60.325 65.025 19.285 -99.200 -91.000 PHE 261 1.000 54.883 54.974 13.618 -99.200 -91.000 PHE 269 1.000 44.313 55.359 20.793 -99.200 -91.000 PHE 296 1.000 22.953 49.504 31.235 -99.200 -91.000