============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 -7.874 -9.767 58.330 -99.200 -91.000 PHE 8 1.000 2.726 -1.356 47.307 -99.200 -91.000 HIS 32 0.900 3.738 -4.476 59.486 -99.200 -91.000 HIS 45 0.900 -1.840 21.845 46.656 -99.200 -91.000 PHE 92 1.000 6.313 -18.467 37.066 -99.200 -91.000 PHE 103 1.000 9.944 -11.310 48.726 -99.200 -91.000 HIS 116 0.900 -2.335 1.233 37.725 -99.200 -91.000 TYR 121 0.840 -0.434 -8.512 31.208 -99.200 -91.000 PHE 123 1.000 -3.455 -9.364 41.240 -99.200 -91.000 PHE 143 1.000 -7.041 -12.589 52.047 -99.200 -91.000 TYR 160 0.840 -8.693 6.738 36.908 -99.200 -91.000 TYR 166 0.840 5.505 9.078 39.187 -99.200 -91.000 TYR 170 0.840 3.461 11.644 43.459 -99.200 -91.000 TRP 171 1.040 1.523 18.794 38.881 -99.200 -91.000 TRP6 171 1.020 1.417 21.150 38.717 -99.200 -91.000 HIS 178 0.900 5.650 0.633 29.427 -99.200 -91.000 TRP 193 1.040 -2.358 11.696 46.548 -99.200 -91.000 TRP6 193 1.020 -4.534 11.069 45.863 -99.200 -91.000 TRP 201 1.040 -10.995 0.629 47.662 -99.200 -91.000 TRP6 201 1.020 -9.992 -0.998 46.273 -99.200 -91.000 HIS 205 0.900 -13.403 -2.400 48.146 -99.200 -91.000 PHE 209 1.000 -2.746 -15.050 42.567 -99.200 -91.000 TYR 216 0.840 -1.865 -18.556 28.403 -99.200 -91.000