============================================================================= 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. TYR 5 0.840 -0.096 4.213 57.964 -99.200 -91.000 HIS 6 0.900 4.276 5.923 50.384 -99.200 -91.000 TYR 12 0.840 11.586 -2.407 59.318 -99.200 -91.000 PHE 13 1.000 12.354 -0.439 53.660 -99.200 -91.000 PHE 16 1.000 16.831 -3.396 59.087 -99.200 -91.000 PHE 21 1.000 15.879 -1.543 63.721 -99.200 -91.000 PHE 26 1.000 9.064 -1.613 64.841 -99.200 -91.000 PHE 32 1.000 11.220 -9.645 60.674 -99.200 -91.000 PHE 50 1.000 16.227 -11.684 62.576 -99.200 -91.000 TYR 69 0.840 -4.474 1.510 57.368 -99.200 -91.000 TRP 76 1.040 14.508 -3.143 52.233 -99.200 -91.000 TRP6 76 1.020 15.773 -2.926 54.207 -99.200 -91.000 TYR 85 0.840 22.486 -10.983 50.749 -99.200 -91.000 HIS 88 0.900 8.488 -6.380 46.435 -99.200 -91.000 PHE 90 1.000 2.254 -8.482 53.013 -99.200 -91.000 PHE 91 1.000 7.447 -3.027 55.443 -99.200 -91.000 TYR 100 0.840 3.118 -10.652 58.708 -99.200 -91.000 TRP 102 1.040 7.182 -13.042 54.151 -99.200 -91.000 TRP6 102 1.020 5.215 -13.896 53.197 -99.200 -91.000 PHE 104 1.000 16.735 -11.728 51.575 -99.200 -91.000 TRP 118 1.040 23.868 -9.946 56.242 -99.200 -91.000 TRP6 118 1.020 21.653 -9.673 55.486 -99.200 -91.000 TYR 124 0.840 28.997 -11.673 58.250 -99.200 -91.000