============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 11 1.000 0.571 0.199 22.065 -99.200 -91.000 PHE 15 1.000 5.076 -2.062 24.881 -99.200 -91.000 HIS 24 0.900 22.610 -3.250 31.056 -99.200 -91.000 TYR 28 0.840 20.926 12.248 27.748 -99.200 -91.000 PHE 33 1.000 7.337 11.912 30.817 -99.200 -91.000 TYR 45 0.840 11.090 19.064 31.283 -99.200 -91.000 HIS 61 0.900 21.083 17.383 27.645 -99.200 -91.000 PHE 94 1.000 14.989 10.466 12.483 -99.200 -91.000 PHE 99 1.000 9.380 2.277 15.963 -99.200 -91.000 HIS 101 0.900 1.245 -2.670 7.778 -99.200 -91.000 TYR 116 0.840 1.423 3.116 5.380 -99.200 -91.000 PHE 133 1.000 18.115 5.258 5.481 -99.200 -91.000 TYR 135 0.840 13.811 4.543 6.399 -99.200 -91.000 TRP 144 1.040 -9.553 -9.466 17.731 -99.200 -91.000 TRP6 144 1.020 -9.465 -11.734 17.190 -99.200 -91.000 TYR 146 0.840 -11.079 -5.781 19.440 -99.200 -91.000 TYR 147 0.840 -14.082 -1.412 12.481 -99.200 -91.000 HIS 151 0.900 -2.527 3.972 21.274 -99.200 -91.000 PHE 161 1.000 -20.632 -10.924 17.737 -99.200 -91.000 PHE 162 1.000 -12.986 -15.524 18.385 -99.200 -91.000 TYR 165 0.840 -10.939 -7.639 10.692 -99.200 -91.000 TYR 173 0.840 5.613 -12.445 9.243 -99.200 -91.000 PHE 174 1.000 -1.211 -10.905 14.306 -99.200 -91.000 PHE 183 1.000 14.521 -9.370 19.047 -99.200 -91.000 HIS 199 0.900 11.269 -5.230 5.592 -99.200 -91.000 PHE 200 1.000 11.068 -5.834 14.499 -99.200 -91.000 TRP 216 1.040 -9.779 -14.572 23.475 -99.200 -91.000 TRP6 216 1.020 -8.398 -13.999 25.301 -99.200 -91.000 PHE 251 1.000 -2.547 2.332 8.484 -99.200 -91.000 HIS 253 0.900 -8.874 -3.174 1.622 -99.200 -91.000 PHE 256 1.000 -5.360 -8.925 9.842 -99.200 -91.000 PHE 264 1.000 7.450 -6.643 1.963 -99.200 -91.000 TYR 278 0.840 19.768 -8.204 15.999 -99.200 -91.000 PHE 283 1.000 11.040 -11.450 17.213 -99.200 -91.000 PHE 290 1.000 -4.113 -13.313 21.619 -99.200 -91.000 TYR 293 0.840 -4.521 -9.133 25.902 -99.200 -91.000