============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 12 1.000 27.892 57.295 3.199 -99.200 -91.000 PHE 30 1.000 33.185 58.745 36.512 -99.200 -91.000 HIS 40 0.900 14.535 57.014 8.655 -99.200 -91.000 HIS 44 0.900 17.794 53.159 8.159 -99.200 -91.000 TYR 47 0.840 10.427 50.159 14.237 -99.200 -91.000 HIS 50 0.900 10.643 56.397 6.607 -99.200 -91.000 PHE 59 1.000 9.832 40.422 13.845 -99.200 -91.000 TYR 69 0.840 17.613 30.688 1.519 -99.200 -91.000 PHE 76 1.000 14.367 34.638 -5.441 -99.200 -91.000 TYR 90 0.840 25.824 40.751 -1.985 -99.200 -91.000 PHE 93 1.000 22.907 48.463 -5.841 -99.200 -91.000 TYR 96 0.840 29.844 50.944 -5.888 -99.200 -91.000 TRP 97 1.040 29.145 52.034 4.872 -99.200 -91.000 TRP6 97 1.020 26.969 52.899 5.197 -99.200 -91.000 TYR 102 0.840 25.080 52.632 0.418 -99.200 -91.000 PHE 103 1.000 23.594 57.651 1.373 -99.200 -91.000 PHE 111 1.000 12.880 39.366 -5.351 -99.200 -91.000 PHE 133 1.000 4.965 57.528 0.940 -99.200 -91.000 HIS 136 0.900 11.310 52.625 1.824 -99.200 -91.000 PHE 162 1.000 20.712 34.182 7.233 -99.200 -91.000 TYR 163 0.840 17.049 32.683 15.452 -99.200 -91.000 PHE 164 1.000 18.283 39.703 10.792 -99.200 -91.000 PHE 172 1.000 8.914 49.178 22.424 -99.200 -91.000