============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 7 1.040 26.314 21.761 11.351 -99.200 -91.000 TRP6 7 1.020 26.775 20.301 13.150 -99.200 -91.000 TYR 8 0.840 22.694 16.524 15.265 -99.200 -91.000 TYR 9 0.840 21.132 11.046 9.172 -99.200 -91.000 HIS 15 0.900 25.313 -2.261 12.456 -99.200 -91.000 HIS 26 0.900 23.454 7.054 -4.843 -99.200 -91.000 PHE 30 1.000 29.095 15.101 4.205 -99.200 -91.000 PHE 42 1.000 28.802 17.461 17.078 -99.200 -91.000 HIS 54 0.900 31.999 5.207 10.728 -99.200 -91.000 PHE 55 1.000 37.364 10.325 7.430 -99.200 -91.000 TYR 64 0.840 32.124 22.981 15.020 -99.200 -91.000 PHE 71 1.000 38.218 23.354 8.463 -99.200 -91.000 HIS 80 0.900 40.153 21.987 3.686 -99.200 -91.000 TYR 81 0.840 38.685 17.901 5.431 -99.200 -91.000 PHE 87 1.000 41.689 6.930 3.697 -99.200 -91.000 TYR 96 0.840 38.583 14.912 -3.453 -99.200 -91.000 HIS 100 0.900 25.752 17.913 5.080 -99.200 -91.000