============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.831 35.376 4.524 -99.200 -91.000 TYR 14 0.840 30.708 39.709 -0.672 -99.200 -91.000 HIS 23 0.900 32.052 24.818 -0.392 -99.200 -91.000 PHE 24 1.000 39.021 23.417 -0.075 -99.200 -91.000 TRP 34 1.040 46.275 38.862 -5.574 -99.200 -91.000 TRP6 34 1.020 47.835 37.403 -4.499 -99.200 -91.000 HIS 40 0.900 39.870 26.938 9.337 -99.200 -91.000 TYR 42 0.840 48.445 24.881 1.976 -99.200 -91.000 HIS 53 0.900 21.906 30.873 -5.171 -99.200 -91.000 PHE 64 1.000 33.341 25.763 -12.225 -99.200 -91.000 HIS 73 0.900 49.923 36.661 9.063 -99.200 -91.000 PHE 76 1.000 46.808 28.769 10.715 -99.200 -91.000 TRP 121 1.040 27.316 27.241 -1.756 -99.200 -91.000 TRP6 121 1.020 28.789 28.932 -2.516 -99.200 -91.000 TYR 131 0.840 28.523 19.740 4.839 -99.200 -91.000 TYR 152 0.840 34.518 30.718 21.865 -99.200 -91.000 PHE 165 1.000 22.079 36.469 15.989 -99.200 -91.000 TRP 193 1.040 38.880 30.504 16.654 -99.200 -91.000 TRP6 193 1.020 38.385 30.089 18.924 -99.200 -91.000 TYR 195 0.840 32.669 22.894 22.374 -99.200 -91.000 TYR 206 0.840 32.633 34.799 12.202 -99.200 -91.000 TYR 212 0.840 45.297 39.667 10.103 -99.200 -91.000 TRP 215 1.040 50.359 39.175 5.279 -99.200 -91.000 TRP6 215 1.020 48.650 37.684 4.533 -99.200 -91.000