============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.155 22.671 19.438 -99.200 -91.000 TYR 7 0.840 16.586 23.120 20.997 -99.200 -91.000 HIS 40 0.900 11.117 11.099 15.559 -99.200 -91.000 PHE 41 1.000 8.049 4.577 10.326 -99.200 -91.000 HIS 42 0.900 4.761 7.383 7.763 -99.200 -91.000 PHE 45 1.000 12.251 4.148 8.254 -99.200 -91.000 PHE 61 1.000 8.676 22.176 -1.385 -99.200 -91.000 PHE 68 1.000 1.070 6.064 -4.040 -99.200 -91.000 PHE 77 1.000 0.569 16.249 8.976 -99.200 -91.000 TRP 117 1.040 14.677 8.550 24.811 -99.200 -91.000 TRP6 117 1.020 12.502 7.774 24.295 -99.200 -91.000 PHE 130 1.000 13.750 16.007 0.393 -99.200 -91.000 PHE 142 1.000 1.887 -3.275 -0.174 -99.200 -91.000 PHE 143 1.000 7.348 -2.576 1.572 -99.200 -91.000 PHE 152 1.000 12.527 -0.390 9.944 -99.200 -91.000 HIS 170 0.900 2.705 -0.853 13.541 -99.200 -91.000 PHE 172 1.000 1.246 4.559 21.000 -99.200 -91.000 PHE 179 1.000 -3.539 0.928 4.961 -99.200 -91.000 TYR 185 0.840 -13.035 -10.733 4.372 -99.200 -91.000 PHE 187 1.000 -1.145 -12.939 3.023 -99.200 -91.000 TYR 201 0.840 -6.862 -10.073 16.289 -99.200 -91.000 PHE 221 1.000 -1.267 -0.786 13.580 -99.200 -91.000 PHE 229 1.000 5.804 2.511 23.445 -99.200 -91.000 TYR 233 0.840 3.977 -5.158 17.581 -99.200 -91.000 TYR 234 0.840 7.669 -6.313 20.585 -99.200 -91.000 PHE 251 1.000 6.383 -15.995 17.098 -99.200 -91.000 PHE 266 1.000 12.847 -6.329 21.692 -99.200 -91.000 PHE 273 1.000 8.754 -2.431 23.389 -99.200 -91.000 PHE 274 1.000 8.555 0.355 28.312 -99.200 -91.000 PHE 277 1.000 9.874 2.762 21.039 -99.200 -91.000