============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 6 1.000 -14.296 67.993 40.137 -99.200 -91.000 TRP 15 1.040 -17.120 65.563 45.042 -99.200 -91.000 TRP6 15 1.020 -17.393 64.567 42.915 -99.200 -91.000 TYR 19 0.840 -18.763 55.741 46.812 -99.200 -91.000 HIS 24 0.900 -31.092 53.467 46.941 -99.200 -91.000 PHE 29 1.000 -27.206 41.460 38.168 -99.200 -91.000 TYR 45 0.840 -9.959 41.547 51.209 -99.200 -91.000 PHE 51 1.000 -22.521 41.231 40.946 -99.200 -91.000 HIS 53 0.900 -23.902 39.074 35.308 -99.200 -91.000 HIS 59 0.900 -11.197 27.881 29.386 -99.200 -91.000 TYR 65 0.840 -14.774 31.328 43.068 -99.200 -91.000 TYR 80 0.840 -11.435 47.850 31.146 -99.200 -91.000 HIS 93 0.900 -6.677 27.883 41.599 -99.200 -91.000 PHE 94 1.000 -3.160 36.905 38.255 -99.200 -91.000 TRP 95 1.040 0.776 33.890 37.017 -99.200 -91.000 TRP6 95 1.020 1.025 35.796 35.630 -99.200 -91.000 TRP 99 1.040 -2.371 29.363 27.944 -99.200 -91.000 TRP6 99 1.020 -0.182 29.826 27.168 -99.200 -91.000 TYR 123 0.840 0.575 38.602 40.728 -99.200 -91.000 TRP 124 1.040 6.203 40.051 40.093 -99.200 -91.000 TRP6 124 1.020 4.758 41.004 41.709 -99.200 -91.000 PHE 134 1.000 2.720 30.020 39.136 -99.200 -91.000 TYR 151 0.840 4.146 57.269 39.015 -99.200 -91.000 TYR 152 0.840 5.490 53.959 35.580 -99.200 -91.000 HIS 172 0.900 3.118 42.665 37.429 -99.200 -91.000 PHE 173 1.000 1.813 47.650 31.316 -99.200 -91.000 HIS 174 0.900 3.739 46.378 41.767 -99.200 -91.000 TYR 175 0.840 -0.076 54.435 40.323 -99.200 -91.000 TRP 178 1.040 -4.739 54.232 43.898 -99.200 -91.000 TRP6 178 1.020 -5.511 54.014 41.673 -99.200 -91.000 PHE 181 1.000 -10.702 50.510 51.588 -99.200 -91.000 PHE 190 1.000 -5.693 56.738 36.521 -99.200 -91.000 PHE 193 1.000 0.080 52.069 36.005 -99.200 -91.000 PHE 195 1.000 -3.089 58.827 27.800 -99.200 -91.000 HIS 207 0.900 -2.665 41.841 22.543 -99.200 -91.000 HIS 213 0.900 -3.393 42.269 41.185 -99.200 -91.000 PHE 224 1.000 -5.953 50.916 34.699 -99.200 -91.000 PHE 255 1.000 -20.978 43.736 32.635 -99.200 -91.000 PHE 268 1.000 -7.074 60.521 40.675 -99.200 -91.000 TYR 270 0.840 -17.545 63.100 38.056 -99.200 -91.000 PHE 279 1.000 -2.942 61.951 23.933 -99.200 -91.000 TRP 290 1.040 -1.203 64.485 31.654 -99.200 -91.000 TRP6 290 1.020 -2.320 63.101 30.096 -99.200 -91.000 HIS 295 0.900 7.137 65.285 40.460 -99.200 -91.000