============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 4 1.040 9.156 9.844 30.873 -99.200 -91.000 TRP6 4 1.020 8.295 11.727 31.999 -99.200 -91.000 PHE 101 1.000 5.399 32.076 11.166 -99.200 -91.000 PHE 115 1.000 3.091 25.338 1.230 -99.200 -91.000 PHE 147 1.000 -1.909 25.253 1.709 -99.200 -91.000 PHE 170 1.000 -4.982 31.939 10.039 -99.200 -91.000 PHE 181 1.000 4.057 39.867 0.263 -99.200 -91.000 HIS 189 0.900 -8.278 40.493 13.952 -99.200 -91.000 HIS 199 0.900 4.285 33.862 20.408 -99.200 -91.000 TRP 222 1.040 0.440 44.360 12.785 -99.200 -91.000 TRP6 222 1.020 -1.731 43.488 13.007 -99.200 -91.000 TRP 234 1.040 18.491 36.326 12.040 -99.200 -91.000 TRP6 234 1.020 16.914 38.011 12.481 -99.200 -91.000 PHE 246 1.000 12.632 21.679 32.019 -99.200 -91.000 TRP 262 1.040 14.253 35.093 32.151 -99.200 -91.000 TRP6 262 1.020 12.557 33.461 32.150 -99.200 -91.000 HIS 272 0.900 1.406 39.214 28.926 -99.200 -91.000 HIS 286 0.900 14.851 38.964 36.232 -99.200 -91.000 TYR 299 0.840 -0.244 26.341 43.780 -99.200 -91.000 PHE 302 1.000 -3.812 29.492 39.183 -99.200 -91.000 HIS 336 0.900 -5.766 31.461 21.168 -99.200 -91.000 HIS 340 0.900 -3.033 26.712 20.365 -99.200 -91.000 TRP 378 1.040 -1.250 14.265 30.882 -99.200 -91.000 TRP6 378 1.020 -2.769 15.450 32.251 -99.200 -91.000 TYR 381 0.840 -5.703 14.048 24.066 -99.200 -91.000 HIS 384 0.900 4.951 21.657 21.989 -99.200 -91.000 PHE 415 1.000 9.655 17.200 29.829 -99.200 -91.000 TRP 419 1.040 10.076 16.182 34.602 -99.200 -91.000 TRP6 419 1.020 9.161 18.355 34.704 -99.200 -91.000