============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 6.104 35.119 5.493 -99.200 -91.000 HIS 9 0.900 22.108 20.039 8.229 -99.200 -91.000 TRP 30 1.040 11.603 37.841 -8.411 -99.200 -91.000 TRP6 30 1.020 13.153 39.164 -9.631 -99.200 -91.000 PHE 50 1.000 23.606 39.676 -11.483 -99.200 -91.000 TRP 51 1.040 24.037 41.041 -3.383 -99.200 -91.000 TRP6 51 1.020 22.999 42.155 -1.577 -99.200 -91.000 HIS 58 0.900 32.418 35.032 -2.090 -99.200 -91.000 HIS 64 0.900 30.744 31.686 9.970 -99.200 -91.000 HIS 71 0.900 34.344 37.287 1.931 -99.200 -91.000 TYR 81 0.840 17.723 51.695 -2.022 -99.200 -91.000 PHE 95 1.000 23.563 44.179 4.016 -99.200 -91.000 PHE 109 1.000 15.897 28.380 12.357 -99.200 -91.000 PHE 130 1.000 12.793 24.287 10.477 -99.200 -91.000 PHE 137 1.000 14.532 20.287 5.950 -99.200 -91.000 HIS 162 0.900 19.362 12.958 1.117 -99.200 -91.000 TYR 174 0.840 -2.094 35.630 -9.189 -99.200 -91.000 HIS 175 0.900 -4.423 30.532 -4.677 -99.200 -91.000 TYR 187 0.840 5.303 18.010 1.271 -99.200 -91.000 TYR 195 0.840 5.925 14.111 -9.277 -99.200 -91.000 TRP 198 1.040 8.814 9.578 -13.343 -99.200 -91.000 TRP6 198 1.020 9.254 11.847 -12.865 -99.200 -91.000 HIS 216 0.900 3.976 -5.787 -17.917 -99.200 -91.000 HIS 217 0.900 7.316 -1.579 -13.613 -99.200 -91.000 HIS 218 0.900 -0.254 -5.047 -15.598 -99.200 -91.000 HIS 219 0.900 2.699 1.860 -12.700 -99.200 -91.000 HIS 220 0.900 6.588 5.331 -19.145 -99.200 -91.000 HIS 221 0.900 4.328 10.450 -13.543 -99.200 -91.000