============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 62.565 30.628 35.291 -99.200 -91.000 TYR 32 0.840 63.510 34.617 29.561 -99.200 -91.000 TRP 36 1.040 61.247 37.768 43.163 -99.200 -91.000 TRP6 36 1.020 59.017 36.992 43.340 -99.200 -91.000 TRP 47 1.040 65.720 44.850 42.357 -99.200 -91.000 TRP6 47 1.020 67.724 44.117 43.371 -99.200 -91.000 PHE 55 1.000 74.138 32.268 37.291 -99.200 -91.000 TYR 60 0.840 68.477 36.869 48.889 -99.200 -91.000 PHE 64 1.000 63.130 44.189 51.882 -99.200 -91.000 TYR 80 0.840 58.189 28.364 43.839 -99.200 -91.000 TYR 93 0.840 55.933 41.986 48.977 -99.200 -91.000 PHE 94 1.000 54.065 45.582 41.281 -99.200 -91.000 HIS 99 0.900 70.910 42.707 31.506 -99.200 -91.000 TRP 104 1.040 57.817 46.198 35.960 -99.200 -91.000 TRP6 104 1.020 58.285 46.671 38.222 -99.200 -91.000 PHE 123 1.000 27.327 53.017 61.840 -99.200 -91.000 TYR 146 0.840 36.190 47.851 54.566 -99.200 -91.000 PHE 147 1.000 42.019 42.692 57.906 -99.200 -91.000 TRP 155 1.040 25.819 56.365 46.116 -99.200 -91.000 TRP6 155 1.020 24.879 56.679 48.266 -99.200 -91.000 HIS 165 0.900 33.485 63.083 44.721 -99.200 -91.000 PHE 167 1.000 35.928 61.202 49.653 -99.200 -91.000 TYR 177 0.840 42.046 47.381 55.241 -99.200 -91.000 TYR 195 0.840 19.221 60.191 46.231 -99.200 -91.000 HIS 201 0.900 34.381 42.631 53.404 -99.200 -91.000