============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 9 0.840 37.226 -2.295 21.580 -99.200 -91.000 TYR 13 0.840 41.486 -5.657 13.118 -99.200 -91.000 PHE 15 1.000 32.563 -1.075 12.984 -99.200 -91.000 PHE 19 1.000 25.219 6.617 9.953 -99.200 -91.000 HIS 21 0.900 26.904 15.040 3.846 -99.200 -91.000 TYR 32 0.840 24.501 10.250 11.178 -99.200 -91.000 PHE 40 1.000 16.093 12.549 13.219 -99.200 -91.000 TRP 52 1.040 33.333 4.812 6.223 -99.200 -91.000 TRP6 52 1.020 34.582 6.241 4.861 -99.200 -91.000 TYR 69 0.840 12.558 -0.002 23.693 -99.200 -91.000 HIS 74 0.900 10.704 2.786 28.778 -99.200 -91.000 HIS 84 0.900 -1.043 -3.066 11.535 -99.200 -91.000 HIS 85 0.900 3.780 -1.645 11.245 -99.200 -91.000 HIS 96 0.900 14.819 -11.154 14.486 -99.200 -91.000 TYR 108 0.840 16.910 -11.526 9.538 -99.200 -91.000 PHE 115 1.000 14.368 -15.059 26.948 -99.200 -91.000 HIS 117 0.900 13.575 -10.339 18.273 -99.200 -91.000 TYR 123 0.840 34.648 -5.827 6.722 -99.200 -91.000 HIS 136 0.900 21.744 -0.754 0.460 -99.200 -91.000 TYR 137 0.840 22.112 -2.740 9.121 -99.200 -91.000 TYR 139 0.840 16.375 0.807 11.683 -99.200 -91.000 PHE 173 1.000 22.748 3.613 13.300 -99.200 -91.000