============================================================================= 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 21.350 22.596 19.704 -99.200 -91.000 TYR 7 0.840 16.644 23.038 21.254 -99.200 -91.000 HIS 40 0.900 11.113 11.141 15.731 -99.200 -91.000 PHE 41 1.000 8.191 4.536 10.410 -99.200 -91.000 HIS 42 0.900 4.695 7.566 7.971 -99.200 -91.000 PHE 45 1.000 12.506 4.202 8.366 -99.200 -91.000 PHE 61 1.000 8.752 21.992 -1.509 -99.200 -91.000 PHE 68 1.000 0.823 5.874 -3.963 -99.200 -91.000 PHE 77 1.000 0.513 16.160 9.024 -99.200 -91.000 TRP 117 1.040 14.737 8.592 25.056 -99.200 -91.000 TRP6 117 1.020 12.542 7.880 24.501 -99.200 -91.000 PHE 130 1.000 13.891 15.910 0.398 -99.200 -91.000 PHE 142 1.000 1.702 -3.231 -0.159 -99.200 -91.000 PHE 143 1.000 7.448 -2.700 1.523 -99.200 -91.000 PHE 152 1.000 12.708 -0.310 10.096 -99.200 -91.000 HIS 170 0.900 2.686 -0.805 13.773 -99.200 -91.000 PHE 172 1.000 1.229 4.713 21.264 -99.200 -91.000 PHE 179 1.000 -3.982 0.942 4.601 -99.200 -91.000 TYR 185 0.840 -13.216 -10.692 4.399 -99.200 -91.000 PHE 187 1.000 -1.234 -12.921 3.039 -99.200 -91.000 TYR 201 0.840 -6.951 -9.978 16.511 -99.200 -91.000 PHE 221 1.000 -1.271 -0.756 13.757 -99.200 -91.000 PHE 229 1.000 5.766 2.547 23.713 -99.200 -91.000 TYR 233 0.840 3.999 -5.108 17.835 -99.200 -91.000 TYR 234 0.840 7.687 -6.241 20.848 -99.200 -91.000 PHE 251 1.000 6.377 -15.952 17.279 -99.200 -91.000 PHE 266 1.000 12.978 -6.222 21.972 -99.200 -91.000 PHE 273 1.000 8.816 -2.321 23.671 -99.200 -91.000 PHE 274 1.000 8.623 0.391 28.665 -99.200 -91.000 PHE 277 1.000 9.899 2.845 21.253 -99.200 -91.000