============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 -8.957 34.945 180.459 -99.200 -91.000 PHE 8 1.000 -5.307 44.928 171.098 -99.200 -91.000 TYR 9 0.840 -10.848 39.257 166.207 -99.200 -91.000 HIS 24 0.900 -10.361 25.994 185.442 -99.200 -91.000 PHE 31 1.000 -9.334 33.075 193.302 -99.200 -91.000 TYR 39 0.840 -19.040 28.095 185.954 -99.200 -91.000 HIS 45 0.900 -11.947 43.826 172.594 -99.200 -91.000 TYR 59 0.840 3.833 46.926 185.212 -99.200 -91.000 PHE 83 1.000 -6.304 34.544 189.224 -99.200 -91.000 TYR 84 0.840 -4.312 39.917 191.612 -99.200 -91.000 TRP 114 1.040 -21.677 33.864 192.100 -99.200 -91.000 TRP6 114 1.020 -20.319 33.997 190.148 -99.200 -91.000 PHE 116 1.000 -22.103 28.852 189.723 -99.200 -91.000 PHE 123 1.000 -21.687 29.624 195.239 -99.200 -91.000