============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 1 1.000 128.287 54.646 -19.739 -99.200 -91.000 TYR 8 0.840 127.634 48.208 -36.782 -99.200 -91.000 TYR 10 0.840 133.379 55.019 -37.512 -99.200 -91.000 PHE 21 1.000 144.224 38.145 -27.068 -99.200 -91.000 PHE 41 1.000 122.228 23.876 7.910 -99.200 -91.000 TRP 73 1.040 134.646 21.748 4.567 -99.200 -91.000 TRP6 73 1.020 133.401 21.649 6.581 -99.200 -91.000 PHE 84 1.000 123.807 29.714 10.209 -99.200 -91.000 TYR 100 0.840 121.661 33.183 28.607 -99.200 -91.000 PHE 117 1.000 140.791 22.022 11.359 -99.200 -91.000 PHE 131 1.000 119.911 28.750 20.665 -99.200 -91.000 HIS 134 0.900 108.572 32.244 20.482 -99.200 -91.000 TYR 145 0.840 106.227 43.848 18.118 -99.200 -91.000 HIS 162 0.900 127.556 32.891 19.811 -99.200 -91.000 HIS 192 0.900 135.115 39.211 24.844 -99.200 -91.000 TYR 200 0.840 123.031 37.083 9.006 -99.200 -91.000 TYR 203 0.840 115.162 42.899 1.470 -99.200 -91.000 TYR 207 0.840 113.725 32.976 -3.184 -99.200 -91.000 TYR 208 0.840 115.264 33.970 4.842 -99.200 -91.000 PHE 211 1.000 118.957 28.468 8.775 -99.200 -91.000 TYR 229 0.840 111.307 39.149 13.495 -99.200 -91.000 HIS 241 0.900 116.884 55.881 5.206 -99.200 -91.000 TYR 262 0.840 115.583 40.129 -1.656 -99.200 -91.000 PHE 273 1.000 125.485 53.025 3.304 -99.200 -91.000 PHE 278 1.000 131.893 39.915 4.132 -99.200 -91.000 TYR 280 0.840 123.270 32.607 4.687 -99.200 -91.000 TYR 286 0.840 122.986 23.315 -1.752 -99.200 -91.000 HIS 289 0.900 121.155 28.332 -8.433 -99.200 -91.000 TRP 297 1.040 114.953 19.449 -15.465 -99.200 -91.000 TRP6 297 1.020 113.355 20.057 -13.834 -99.200 -91.000 PHE 310 1.000 125.355 35.713 -4.603 -99.200 -91.000 TYR 321 0.840 123.490 26.755 3.227 -99.200 -91.000 PHE 322 1.000 125.472 25.218 -5.113 -99.200 -91.000