============================================================================= 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 37.135 -19.136 36.256 -99.200 -91.000 PHE 8 1.000 28.449 -6.492 40.896 -99.200 -91.000 HIS 32 0.900 25.737 -14.538 31.651 -99.200 -91.000 HIS 45 0.900 40.198 11.305 32.425 -99.200 -91.000 PHE 92 1.000 21.362 -15.027 57.841 -99.200 -91.000 PHE 103 1.000 18.883 -13.702 43.982 -99.200 -91.000 HIS 116 0.900 34.841 -1.359 48.499 -99.200 -91.000 TYR 121 0.840 30.871 -5.994 58.748 -99.200 -91.000 PHE 123 1.000 32.944 -12.095 50.357 -99.200 -91.000 PHE 143 1.000 34.658 -20.767 42.600 -99.200 -91.000 TYR 160 0.840 42.423 1.968 47.333 -99.200 -91.000 TYR 166 0.840 29.194 6.688 43.020 -99.200 -91.000 TYR 170 0.840 31.808 6.370 38.242 -99.200 -91.000 TRP 171 1.040 35.865 14.094 39.318 -99.200 -91.000 TRP6 171 1.020 36.596 16.111 38.323 -99.200 -91.000 HIS 178 0.900 27.566 4.192 55.545 -99.200 -91.000 TRP 193 1.040 36.936 3.568 36.047 -99.200 -91.000 TRP6 193 1.020 38.982 2.880 37.016 -99.200 -91.000 TRP 201 1.040 42.389 -8.640 40.408 -99.200 -91.000 TRP6 201 1.020 41.116 -9.078 42.351 -99.200 -91.000 HIS 205 0.900 44.135 -12.004 41.456 -99.200 -91.000 PHE 209 1.000 30.674 -17.297 51.918 -99.200 -91.000 TYR 216 0.840 29.927 -13.509 65.684 -99.200 -91.000