============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 7 0.840 -6.545 25.608 -1.274 -99.200 -91.000 TYR 11 0.840 1.279 32.138 -0.319 -99.200 -91.000 PHE 13 1.000 0.934 25.601 -7.640 -99.200 -91.000 PHE 17 1.000 1.117 21.908 -17.905 -99.200 -91.000 TYR 23 0.840 -1.225 21.294 -20.811 -99.200 -91.000 PHE 31 1.000 -1.552 13.470 -25.149 -99.200 -91.000 TRP 43 1.040 3.140 30.304 -15.020 -99.200 -91.000 TRP6 43 1.020 3.722 32.338 -16.070 -99.200 -91.000 TYR 60 0.840 -3.331 3.616 -11.847 -99.200 -91.000 HIS 65 0.900 -8.906 0.631 -12.553 -99.200 -91.000 HIS 75 0.900 11.938 -4.582 -18.888 -99.200 -91.000 HIS 76 0.900 10.120 0.381 -18.203 -99.200 -91.000 HIS 84 0.900 9.652 7.168 -5.425 -99.200 -91.000 TYR 96 0.840 13.545 10.823 -6.383 -99.200 -91.000 PHE 103 1.000 2.716 0.542 2.366 -99.200 -91.000 HIS 105 0.900 6.413 4.666 -5.203 -99.200 -91.000 TYR 111 0.840 8.171 29.013 -5.449 -99.200 -91.000 HIS 124 0.900 14.055 21.136 -17.259 -99.200 -91.000 TYR 125 0.840 7.834 17.483 -11.872 -99.200 -91.000 TYR 127 0.840 5.504 12.181 -15.825 -99.200 -91.000 PHE 161 1.000 1.007 17.558 -15.230 -99.200 -91.000