============================================================================= 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 24.371 10.731 -15.104 -99.200 -91.000 PHE 8 1.000 30.252 -1.712 -6.277 -99.200 -91.000 HIS 32 0.900 36.880 6.267 -13.379 -99.200 -91.000 HIS 45 0.900 23.339 -19.596 -18.893 -99.200 -91.000 PHE 92 1.000 28.986 6.788 12.119 -99.200 -91.000 PHE 103 1.000 37.483 5.491 0.773 -99.200 -91.000 HIS 116 0.900 21.213 -6.933 -2.130 -99.200 -91.000 TYR 121 0.840 20.101 -2.285 8.652 -99.200 -91.000 PHE 123 1.000 22.015 3.862 0.253 -99.200 -91.000 PHE 143 1.000 24.031 12.496 -7.465 -99.200 -91.000 TYR 160 0.840 14.427 -10.169 -6.305 -99.200 -91.000 TYR 166 0.840 28.632 -14.834 -4.653 -99.200 -91.000 TYR 170 0.840 28.454 -14.556 -10.047 -99.200 -91.000 TRP 171 1.040 24.230 -22.347 -10.927 -99.200 -91.000 TRP6 171 1.020 23.984 -24.390 -12.094 -99.200 -91.000 HIS 178 0.900 24.556 -12.485 7.314 -99.200 -91.000 TRP 193 1.040 24.813 -11.755 -14.322 -99.200 -91.000 TRP6 193 1.020 22.591 -10.952 -14.438 -99.200 -91.000 TRP 201 1.040 17.936 0.532 -12.873 -99.200 -91.000 TRP6 201 1.020 18.185 0.968 -10.563 -99.200 -91.000 HIS 205 0.900 16.056 3.875 -12.727 -99.200 -91.000 PHE 209 1.000 23.364 9.149 2.722 -99.200 -91.000 TYR 216 0.840 17.933 5.274 15.380 -99.200 -91.000