============================================================================= 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. HIS 10 0.900 -12.758 -25.135 9.016 -99.200 -91.000 PHE 20 1.000 -3.236 -29.675 -4.279 -99.200 -91.000 PHE 29 1.000 -4.734 -11.248 -1.526 -99.200 -91.000 TYR 36 0.840 0.670 -4.069 1.487 -99.200 -91.000 HIS 50 0.900 -7.298 -38.013 7.483 -99.200 -91.000 PHE 73 1.000 1.806 -33.230 0.403 -99.200 -91.000 TYR 78 0.840 1.255 -22.694 1.729 -99.200 -91.000 PHE 85 1.000 2.231 -16.549 -9.117 -99.200 -91.000 PHE 99 1.000 6.054 -15.239 18.541 -99.200 -91.000 HIS 107 0.900 19.439 -16.734 17.915 -99.200 -91.000 PHE 135 1.000 -11.188 -22.452 21.432 -99.200 -91.000 TYR 144 0.840 1.391 -13.599 21.898 -99.200 -91.000 HIS 147 0.900 4.639 -6.319 19.960 -99.200 -91.000 PHE 148 1.000 6.543 -10.296 21.187 -99.200 -91.000 PHE 149 1.000 8.623 -13.016 14.205 -99.200 -91.000 PHE 163 1.000 -17.362 -9.139 16.424 -99.200 -91.000 TYR 164 0.840 -21.573 -10.653 9.538 -99.200 -91.000 PHE 171 1.000 -29.664 -15.459 15.945 -99.200 -91.000 HIS 182 0.900 -13.402 -2.036 24.793 -99.200 -91.000 TRP 187 1.040 -18.197 -8.512 22.176 -99.200 -91.000 TRP6 187 1.020 -17.172 -6.856 20.844 -99.200 -91.000 HIS 189 0.900 -12.048 -25.142 24.063 -99.200 -91.000 PHE 203 1.000 -0.147 -9.720 21.469 -99.200 -91.000 HIS 207 0.900 1.112 -5.883 22.491 -99.200 -91.000 PHE 211 1.000 -10.108 -6.323 5.992 -99.200 -91.000 PHE 216 1.000 -13.736 -21.294 2.380 -99.200 -91.000 PHE 224 1.000 -8.208 -3.051 4.687 -99.200 -91.000 PHE 236 1.000 -11.639 -6.967 14.853 -99.200 -91.000