============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 34.649 4.933 3.024 -99.200 -91.000 HIS 15 0.900 27.913 15.864 14.064 -99.200 -91.000 HIS 61 0.900 25.323 -5.517 20.998 -99.200 -91.000 PHE 68 1.000 28.205 0.449 32.418 -99.200 -91.000 HIS 83 0.900 44.560 -0.370 19.455 -99.200 -91.000 PHE 85 1.000 38.064 1.129 19.001 -99.200 -91.000 PHE 88 1.000 26.012 2.125 16.147 -99.200 -91.000 PHE 93 1.000 19.024 5.405 23.131 -99.200 -91.000 TYR 104 0.840 22.318 10.046 23.779 -99.200 -91.000 PHE 109 1.000 23.634 0.009 31.254 -99.200 -91.000 TRP 114 1.040 29.394 4.972 28.057 -99.200 -91.000 TRP6 114 1.020 28.702 3.466 26.378 -99.200 -91.000 HIS 121 0.900 14.143 0.529 15.949 -99.200 -91.000 HIS 140 0.900 31.667 18.807 18.480 -99.200 -91.000 TYR 160 0.840 9.627 2.465 9.905 -99.200 -91.000 HIS 171 0.900 15.017 16.326 13.317 -99.200 -91.000 PHE 174 1.000 21.981 13.739 18.051 -99.200 -91.000 PHE 178 1.000 19.656 7.805 6.416 -99.200 -91.000 PHE 190 1.000 21.898 12.476 5.850 -99.200 -91.000 HIS 192 0.900 23.573 5.512 2.971 -99.200 -91.000 TYR 210 0.840 24.088 -13.289 9.393 -99.200 -91.000 TYR 244 0.840 33.195 -10.996 8.091 -99.200 -91.000 TRP 249 1.040 40.230 -0.254 1.748 -99.200 -91.000 TRP6 249 1.020 39.444 1.750 2.748 -99.200 -91.000 TYR 252 0.840 36.038 3.259 -0.184 -99.200 -91.000