============================================================================= 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. TYR 8 0.840 33.676 23.096 0.932 -99.200 -91.000 PHE 13 1.000 36.459 11.163 -0.076 -99.200 -91.000 TRP 15 1.040 26.227 14.524 0.284 -99.200 -91.000 TRP6 15 1.020 26.886 16.627 -0.583 -99.200 -91.000 PHE 19 1.000 29.271 5.337 4.739 -99.200 -91.000 PHE 22 1.000 38.506 7.284 11.220 -99.200 -91.000 TYR 30 0.840 48.506 17.400 12.099 -99.200 -91.000 PHE 34 1.000 50.505 22.918 13.417 -99.200 -91.000 PHE 39 1.000 36.479 18.812 14.289 -99.200 -91.000 HIS 45 0.900 25.140 16.226 11.105 -99.200 -91.000 HIS 53 0.900 26.418 7.291 7.080 -99.200 -91.000 TYR 58 0.840 30.376 -5.296 12.761 -99.200 -91.000 TYR 84 0.840 33.880 -10.639 4.629 -99.200 -91.000 PHE 86 1.000 38.202 -13.108 14.997 -99.200 -91.000 PHE 95 1.000 35.281 4.039 12.731 -99.200 -91.000 PHE 99 1.000 34.582 8.552 15.728 -99.200 -91.000 PHE 111 1.000 28.522 23.624 29.569 -99.200 -91.000 PHE 112 1.000 27.718 21.234 21.289 -99.200 -91.000 PHE 115 1.000 26.569 17.229 27.069 -99.200 -91.000 PHE 116 1.000 30.766 16.744 19.293 -99.200 -91.000 TYR 127 0.840 28.353 2.604 18.489 -99.200 -91.000 PHE 131 1.000 30.972 -4.059 17.994 -99.200 -91.000 HIS 143 0.900 27.312 6.392 28.723 -99.200 -91.000 PHE 147 1.000 22.516 13.531 34.608 -99.200 -91.000 HIS 153 0.900 29.941 24.377 34.679 -99.200 -91.000 PHE 164 1.000 24.183 15.982 21.068 -99.200 -91.000 TYR 170 0.840 16.152 5.445 27.035 -99.200 -91.000 TYR 176 0.840 25.759 2.646 31.210 -99.200 -91.000 PHE 183 1.000 12.141 12.175 40.051 -99.200 -91.000 TYR 210 0.840 17.572 23.830 26.215 -99.200 -91.000