============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 98.922 -2.425 46.086 -99.200 -91.000 PHE 3 1.000 97.965 2.070 49.018 -99.200 -91.000 PHE 5 1.000 98.832 9.726 50.525 -99.200 -91.000 TYR 9 0.840 98.841 25.547 45.216 -99.200 -91.000 PHE 18 1.000 85.000 10.209 50.789 -99.200 -91.000 PHE 38 1.000 76.204 14.181 32.518 -99.200 -91.000 PHE 44 1.000 73.643 7.154 47.011 -99.200 -91.000 PHE 48 1.000 83.810 3.478 44.675 -99.200 -91.000 TYR 58 0.840 77.013 24.052 43.690 -99.200 -91.000 PHE 64 1.000 71.308 15.658 35.134 -99.200 -91.000 PHE 76 1.000 72.081 14.140 29.298 -99.200 -91.000 PHE 93 1.000 82.712 -0.119 40.668 -99.200 -91.000 TYR 96 0.840 80.805 -2.194 35.697 -99.200 -91.000 PHE 98 1.000 86.797 -1.512 28.691 -99.200 -91.000 PHE 101 1.000 87.524 2.011 23.245 -99.200 -91.000 TYR 111 0.840 80.749 16.229 18.385 -99.200 -91.000 TYR 113 0.840 91.497 15.871 11.956 -99.200 -91.000 PHE 119 1.000 78.383 22.376 14.865 -99.200 -91.000 TRP 130 1.040 92.855 3.507 36.392 -99.200 -91.000 TRP6 130 1.020 94.823 3.520 37.728 -99.200 -91.000 HIS 135 0.900 87.809 -6.084 48.245 -99.200 -91.000 TYR 139 0.840 83.961 -8.551 34.321 -99.200 -91.000 HIS 140 0.900 82.860 -4.013 40.963 -99.200 -91.000 PHE 147 1.000 91.683 -1.989 26.609 -99.200 -91.000 PHE 148 1.000 89.182 4.852 27.240 -99.200 -91.000 HIS 150 0.900 96.231 3.130 18.447 -99.200 -91.000 PHE 163 1.000 98.466 20.211 46.071 -99.200 -91.000 PHE 181 1.000 90.773 13.211 37.960 -99.200 -91.000 PHE 182 1.000 90.449 5.892 33.351 -99.200 -91.000 TYR 188 0.840 87.222 7.151 45.034 -99.200 -91.000 TYR 200 0.840 94.845 22.757 44.323 -99.200 -91.000 TRP 221 1.040 99.861 5.109 35.080 -99.200 -91.000 TRP6 221 1.020 101.658 4.613 33.634 -99.200 -91.000 HIS 226 0.900 101.191 7.087 46.721 -99.200 -91.000 TRP 254 1.040 103.899 9.856 26.195 -99.200 -91.000 TRP6 254 1.020 106.124 9.307 26.810 -99.200 -91.000 HIS 273 0.900 101.422 -0.834 32.639 -99.200 -91.000 PHE 281 1.000 101.155 5.816 27.642 -99.200 -91.000 PHE 294 1.000 120.700 2.477 20.168 -99.200 -91.000 TYR 307 0.840 102.239 -12.191 36.536 -99.200 -91.000 PHE 311 1.000 93.472 -6.993 39.486 -99.200 -91.000 HIS 313 0.900 87.429 -12.936 45.164 -99.200 -91.000 PHE 315 1.000 94.159 -17.922 41.832 -99.200 -91.000 PHE 318 1.000 100.045 -15.677 45.537 -99.200 -91.000 TYR 319 0.840 97.193 -9.221 37.298 -99.200 -91.000 TRP 324 1.040 108.563 -7.813 48.793 -99.200 -91.000 TRP6 324 1.020 110.724 -7.402 49.671 -99.200 -91.000 TYR 327 0.840 115.220 -4.866 46.101 -99.200 -91.000 TYR 336 0.840 122.101 -5.813 30.470 -99.200 -91.000