============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 25.067 13.431 0.433 -99.200 -91.000 PHE 27 1.000 23.874 5.626 -3.708 -99.200 -91.000 HIS 40 0.900 11.445 -11.188 -7.945 -99.200 -91.000 TYR 47 0.840 16.953 0.952 -10.736 -99.200 -91.000 HIS 49 0.900 17.528 -6.860 -13.402 -99.200 -91.000 HIS 66 0.900 27.777 -7.103 -17.122 -99.200 -91.000 PHE 68 1.000 37.491 -3.746 -11.638 -99.200 -91.000 TYR 71 0.840 28.667 0.141 -15.418 -99.200 -91.000 TYR 86 0.840 6.208 -11.960 10.144 -99.200 -91.000 TRP 97 1.040 15.317 -19.792 12.621 -99.200 -91.000 TRP6 97 1.020 17.613 -19.365 13.044 -99.200 -91.000 PHE 106 1.000 25.949 -17.922 5.567 -99.200 -91.000 TYR 108 0.840 22.763 -7.491 3.724 -99.200 -91.000 TYR 109 0.840 31.028 -14.809 3.402 -99.200 -91.000 TYR 110 0.840 27.525 -16.665 -0.354 -99.200 -91.000 PHE 114 1.000 32.558 -14.187 -4.446 -99.200 -91.000 TYR 118 0.840 36.798 -7.249 -9.183 -99.200 -91.000 TYR 145 0.840 13.614 -8.897 9.760 -99.200 -91.000 HIS 150 0.900 19.981 -8.489 17.200 -99.200 -91.000 TYR 163 0.840 38.807 -5.752 3.830 -99.200 -91.000 TRP 204 1.040 2.294 -2.104 12.987 -99.200 -91.000 TRP6 204 1.020 2.352 -3.295 10.940 -99.200 -91.000 HIS 206 0.900 -1.220 7.601 14.941 -99.200 -91.000 HIS 208 0.900 7.528 3.612 13.851 -99.200 -91.000 PHE 225 1.000 26.051 11.599 6.506 -99.200 -91.000 PHE 233 1.000 37.701 10.071 12.209 -99.200 -91.000 TYR 240 0.840 19.585 1.809 15.464 -99.200 -91.000