============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 6 0.840 9.047 -3.925 30.235 -99.200 -91.000 HIS 17 0.900 -0.806 -7.424 18.842 -99.200 -91.000 TYR 21 0.840 -7.460 -2.852 12.364 -99.200 -91.000 HIS 39 0.900 13.760 -17.609 17.322 -99.200 -91.000 PHE 58 1.000 17.550 -13.952 3.980 -99.200 -91.000 HIS 64 0.900 23.991 -5.999 19.272 -99.200 -91.000 HIS 67 0.900 16.557 -8.389 22.028 -99.200 -91.000 TYR 91 0.840 10.694 -7.491 3.019 -99.200 -91.000 TYR 104 0.840 28.108 6.836 9.818 -99.200 -91.000 TRP 106 1.040 29.979 -1.622 4.127 -99.200 -91.000 TRP6 106 1.020 30.827 -3.037 5.800 -99.200 -91.000 TRP 113 1.040 17.662 -4.342 -1.024 -99.200 -91.000 TRP6 113 1.020 15.901 -4.888 0.448 -99.200 -91.000 TYR 167 0.840 25.021 13.239 13.574 -99.200 -91.000 TYR 171 0.840 21.482 13.337 9.833 -99.200 -91.000 PHE 189 1.000 19.923 2.250 28.467 -99.200 -91.000 TYR 214 0.840 12.328 -17.523 22.456 -99.200 -91.000 TYR 217 0.840 20.903 -8.718 23.678 -99.200 -91.000 HIS 226 0.900 9.467 -2.086 22.518 -99.200 -91.000 HIS 238 0.900 -6.445 4.627 10.339 -99.200 -91.000 TRP 241 1.040 -4.156 7.552 8.218 -99.200 -91.000 TRP6 241 1.020 -3.843 7.578 10.539 -99.200 -91.000 PHE 261 1.000 18.857 18.305 26.804 -99.200 -91.000 TYR 262 0.840 17.262 15.368 31.010 -99.200 -91.000 TYR 263 0.840 11.374 11.106 30.848 -99.200 -91.000