============================================================================= 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 7 0.840 51.124 21.188 -7.108 -99.200 -91.000 TYR 8 0.840 45.793 22.721 -12.751 -99.200 -91.000 TYR 11 0.840 49.120 30.613 -16.535 -99.200 -91.000 HIS 13 0.900 50.889 32.894 -9.763 -99.200 -91.000 PHE 47 1.000 50.536 23.503 -18.722 -99.200 -91.000 TYR 68 0.840 49.522 9.999 0.753 -99.200 -91.000 PHE 73 1.000 41.866 17.153 -1.151 -99.200 -91.000 PHE 79 1.000 35.096 32.388 -14.880 -99.200 -91.000 PHE 89 1.000 43.337 13.031 -8.378 -99.200 -91.000 TRP 97 1.040 30.851 8.303 -1.536 -99.200 -91.000 TRP6 97 1.020 29.084 6.868 -2.196 -99.200 -91.000 TYR 103 0.840 33.021 8.180 7.620 -99.200 -91.000 PHE 110 1.000 47.594 24.500 -1.054 -99.200 -91.000 TRP 127 1.040 36.411 23.482 3.596 -99.200 -91.000 TRP6 127 1.020 35.665 25.119 5.133 -99.200 -91.000 HIS 132 0.900 28.469 15.126 -1.064 -99.200 -91.000 HIS 133 0.900 35.587 10.631 -1.278 -99.200 -91.000 TYR 142 0.840 40.046 35.440 11.398 -99.200 -91.000 PHE 148 1.000 44.015 38.535 14.129 -99.200 -91.000 TYR 159 0.840 35.998 30.961 5.118 -99.200 -91.000 TYR 183 0.840 48.457 27.947 12.022 -99.200 -91.000 TYR 187 0.840 45.023 23.596 13.173 -99.200 -91.000