============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 143.552 -6.497 -55.989 -99.200 -91.000 HIS 2 0.900 151.316 -3.070 -57.498 -99.200 -91.000 TYR 30 0.840 159.799 -29.929 -27.548 -99.200 -91.000 TRP 36 1.040 158.443 -43.271 -25.355 -99.200 -91.000 TRP6 36 1.020 159.215 -43.382 -23.121 -99.200 -91.000 TYR 38 0.840 149.841 -37.068 -21.326 -99.200 -91.000 HIS 40 0.900 156.458 -45.785 -22.956 -99.200 -91.000 PHE 48 1.000 158.001 -28.789 -19.432 -99.200 -91.000 PHE 50 1.000 148.440 -30.988 -25.379 -99.200 -91.000 HIS 52 0.900 158.614 -26.269 -25.083 -99.200 -91.000 TYR 57 0.840 150.013 -23.851 -34.648 -99.200 -91.000 HIS 59 0.900 157.167 -19.367 -28.923 -99.200 -91.000 PHE 66 1.000 157.976 -8.867 -38.672 -99.200 -91.000 HIS 84 0.900 155.984 -41.982 -34.938 -99.200 -91.000 PHE 86 1.000 161.018 -39.756 -28.457 -99.200 -91.000 PHE 93 1.000 161.891 -33.427 -20.040 -99.200 -91.000 TYR 97 0.840 170.271 -27.794 -22.324 -99.200 -91.000 HIS 99 0.900 164.046 -29.200 -31.253 -99.200 -91.000 HIS 102 0.900 168.428 -26.609 -34.802 -99.200 -91.000 HIS 113 0.900 171.212 -11.953 -43.438 -99.200 -91.000 HIS 120 0.900 168.677 -2.113 -36.642 -99.200 -91.000 PHE 123 1.000 168.000 -6.002 -32.583 -99.200 -91.000 PHE 125 1.000 157.869 -10.317 -35.009 -99.200 -91.000 TRP 128 1.040 157.879 -11.614 -30.232 -99.200 -91.000 TRP6 128 1.020 157.420 -13.933 -30.373 -99.200 -91.000 TYR 129 0.840 161.126 -17.050 -32.103 -99.200 -91.000 HIS 134 0.900 168.155 -16.787 -21.426 -99.200 -91.000 PHE 140 1.000 162.263 -28.283 -22.785 -99.200 -91.000 HIS 155 0.900 160.064 -45.493 -4.201 -99.200 -91.000 TYR 158 0.840 155.399 -40.686 -7.414 -99.200 -91.000 TYR 163 0.840 161.575 -30.185 -10.322 -99.200 -91.000