============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 30 1.000 191.736 134.713 69.418 -99.200 -91.000 TYR 37 0.840 194.653 128.397 63.914 -99.200 -91.000 TRP 40 1.040 186.772 132.596 53.746 -99.200 -91.000 TRP6 40 1.020 184.489 132.123 53.347 -99.200 -91.000 TYR 41 0.840 191.277 125.549 51.928 -99.200 -91.000 TYR 54 0.840 197.445 132.379 55.510 -99.200 -91.000 TRP 55 1.040 196.611 132.102 60.579 -99.200 -91.000 TRP6 55 1.020 198.786 133.004 60.422 -99.200 -91.000 PHE 67 1.000 188.896 136.341 44.730 -99.200 -91.000 PHE 76 1.000 185.497 133.074 61.359 -99.200 -91.000 TYR 91 0.840 184.763 131.510 45.511 -99.200 -91.000 TYR 92 0.840 183.636 123.447 48.746 -99.200 -91.000 TYR 97 0.840 190.239 126.033 68.683 -99.200 -91.000 PHE 102 1.000 187.720 121.332 53.407 -99.200 -91.000 PHE 122 1.000 174.510 116.001 15.586 -99.200 -91.000 PHE 139 1.000 175.240 117.054 20.981 -99.200 -91.000 PHE 143 1.000 170.254 126.009 27.328 -99.200 -91.000 TYR 144 0.840 171.975 133.229 31.873 -99.200 -91.000 TRP 152 1.040 163.857 113.579 22.230 -99.200 -91.000 TRP6 152 1.020 165.289 113.423 20.352 -99.200 -91.000 TRP 167 1.040 170.023 121.364 31.666 -99.200 -91.000 TRP6 167 1.020 168.259 119.906 32.257 -99.200 -91.000 TYR 177 0.840 173.525 127.533 32.920 -99.200 -91.000 TYR 190 0.840 166.561 105.178 13.432 -99.200 -91.000 HIS 193 0.900 157.214 104.725 14.743 -99.200 -91.000 TYR 196 0.840 163.077 108.587 14.487 -99.200 -91.000 HIS 202 0.900 166.302 129.742 26.786 -99.200 -91.000 PHE 213 1.000 166.973 111.905 12.238 -99.200 -91.000