============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 7 1.000 24.540 25.251 43.366 -99.200 -91.000 PHE 30 1.000 31.111 19.866 51.866 -99.200 -91.000 TYR 37 0.840 24.878 19.473 48.662 -99.200 -91.000 TYR 54 0.840 46.075 25.428 58.385 -99.200 -91.000 PHE 72 1.000 26.822 21.431 36.911 -99.200 -91.000 PHE 85 1.000 39.956 40.725 63.708 -99.200 -91.000 PHE 86 1.000 32.186 36.162 64.209 -99.200 -91.000 HIS 101 0.900 16.994 30.044 24.112 -99.200 -91.000 PHE 104 1.000 14.112 27.579 20.329 -99.200 -91.000 TYR 111 0.840 13.767 5.277 18.235 -99.200 -91.000 TRP 112 1.040 16.354 8.584 25.702 -99.200 -91.000 TRP6 112 1.020 18.472 8.774 26.710 -99.200 -91.000 TYR 113 0.840 19.748 13.363 19.881 -99.200 -91.000 TYR 114 0.840 23.111 10.485 27.535 -99.200 -91.000 TYR 119 0.840 28.793 25.449 31.827 -99.200 -91.000 TYR 132 0.840 40.568 47.759 58.562 -99.200 -91.000 TYR 146 0.840 34.736 37.099 51.615 -99.200 -91.000 HIS 165 0.900 7.879 12.064 19.267 -99.200 -91.000 PHE 168 1.000 18.975 20.190 23.985 -99.200 -91.000 PHE 171 1.000 16.595 29.736 27.933 -99.200 -91.000 TYR 174 0.840 27.761 34.171 32.077 -99.200 -91.000 TYR 180 0.840 30.510 38.268 53.043 -99.200 -91.000 PHE 195 1.000 34.210 41.966 53.494 -99.200 -91.000 TYR 200 0.840 30.001 38.841 38.984 -99.200 -91.000 HIS 214 0.900 6.338 15.992 16.667 -99.200 -91.000 HIS 216 0.900 3.543 11.227 20.024 -99.200 -91.000 HIS 220 0.900 13.021 9.840 29.364 -99.200 -91.000 HIS 222 0.900 8.833 3.988 19.501 -99.200 -91.000 HIS 224 0.900 21.202 6.539 24.695 -99.200 -91.000