============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 7.098 43.252 19.673 -99.200 -91.000 HIS 8 0.900 9.287 42.038 38.201 -99.200 -91.000 TYR 11 0.840 -1.940 44.516 42.148 -99.200 -91.000 PHE 12 1.000 -2.644 47.604 52.221 -99.200 -91.000 TRP 55 1.040 -0.408 20.132 30.776 -99.200 -91.000 TRP6 55 1.020 0.143 22.213 31.789 -99.200 -91.000 TYR 63 0.840 8.006 26.103 26.722 -99.200 -91.000 PHE 75 1.000 23.205 29.258 13.146 -99.200 -91.000 HIS 79 0.900 23.691 32.624 10.695 -99.200 -91.000 PHE 92 1.000 17.311 19.068 20.721 -99.200 -91.000 TYR 99 0.840 20.399 25.123 30.385 -99.200 -91.000 HIS 114 0.900 -0.864 23.530 20.772 -99.200 -91.000 TYR 121 0.840 -5.103 39.416 29.939 -99.200 -91.000 PHE 122 1.000 -1.072 35.979 22.818 -99.200 -91.000 PHE 153 1.000 2.000 27.866 32.909 -99.200 -91.000 PHE 154 1.000 9.408 24.444 31.243 -99.200 -91.000 TYR 160 0.840 14.837 29.900 37.105 -99.200 -91.000 TYR 173 0.840 24.466 25.909 24.690 -99.200 -91.000 PHE 181 1.000 39.543 25.671 6.975 -99.200 -91.000