============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 3 1.000 21.125 21.570 34.613 -99.200 -91.000 HIS 5 0.900 11.875 25.857 37.373 -99.200 -91.000 TYR 18 0.840 23.229 36.726 23.777 -99.200 -91.000 PHE 21 1.000 23.734 32.575 18.379 -99.200 -91.000 PHE 36 1.000 28.238 32.879 -5.092 -99.200 -91.000 TYR 41 0.840 35.653 36.266 4.607 -99.200 -91.000 TYR 45 0.840 28.512 27.760 10.171 -99.200 -91.000 PHE 48 1.000 31.694 27.794 16.539 -99.200 -91.000 PHE 55 1.000 37.177 24.777 20.783 -99.200 -91.000 TRP 68 1.040 30.141 16.149 36.878 -99.200 -91.000 TRP6 68 1.020 29.240 18.150 36.015 -99.200 -91.000 HIS 91 0.900 26.266 15.656 11.852 -99.200 -91.000 TYR 92 0.840 34.755 20.515 7.679 -99.200 -91.000 PHE 126 1.000 34.259 24.200 25.201 -99.200 -91.000 TYR 132 0.840 33.153 29.592 32.393 -99.200 -91.000 TYR 138 0.840 21.713 23.377 27.592 -99.200 -91.000 TRP 157 1.040 21.073 36.208 -0.461 -99.200 -91.000 TRP6 157 1.020 23.267 36.661 -1.175 -99.200 -91.000 HIS 159 0.900 23.314 26.184 -3.127 -99.200 -91.000 TYR 169 0.840 19.615 12.661 6.151 -99.200 -91.000 PHE 170 1.000 24.611 19.566 8.058 -99.200 -91.000 PHE 171 1.000 21.483 23.114 5.246 -99.200 -91.000 HIS 174 0.900 21.959 18.440 12.153 -99.200 -91.000 TYR 186 0.840 27.144 12.519 36.824 -99.200 -91.000 PHE 192 1.000 21.528 24.474 39.525 -99.200 -91.000 PHE 195 1.000 24.912 24.419 32.521 -99.200 -91.000 PHE 199 1.000 23.343 29.038 27.316 -99.200 -91.000 TRP 207 1.040 33.283 33.718 14.030 -99.200 -91.000 TRP6 207 1.020 31.803 31.952 13.535 -99.200 -91.000 TRP 208 1.040 27.226 34.010 13.851 -99.200 -91.000 TRP6 208 1.020 26.959 33.456 11.587 -99.200 -91.000