============================================================================= 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. TYR 43 0.840 39.992 -11.938 2.153 -99.200 -91.000 HIS 49 0.900 43.627 -4.870 22.241 -99.200 -91.000 TYR 62 0.840 32.291 9.756 16.070 -99.200 -91.000 TYR 75 0.840 14.666 3.491 2.747 -99.200 -91.000 HIS 91 0.900 28.264 21.101 20.452 -99.200 -91.000 TYR 97 0.840 31.710 17.713 14.192 -99.200 -91.000 PHE 100 1.000 39.183 10.090 8.170 -99.200 -91.000 PHE 109 1.000 23.723 17.193 5.992 -99.200 -91.000 PHE 110 1.000 29.983 15.389 6.027 -99.200 -91.000 TYR 115 0.840 28.191 17.949 9.440 -99.200 -91.000 PHE 144 1.000 43.084 3.338 18.007 -99.200 -91.000 PHE 149 1.000 40.015 9.842 13.487 -99.200 -91.000 PHE 155 1.000 27.398 9.068 11.480 -99.200 -91.000 TYR 156 0.840 27.192 -1.795 9.932 -99.200 -91.000 PHE 159 1.000 19.234 -5.817 2.568 -99.200 -91.000 TYR 182 0.840 39.308 -8.633 13.500 -99.200 -91.000 TYR 188 0.840 37.368 -3.050 1.591 -99.200 -91.000 PHE 199 1.000 21.343 0.480 -6.922 -99.200 -91.000 PHE 224 1.000 -7.050 12.587 -22.497 -99.200 -91.000