============================================================================= 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. TYR 6 0.840 18.887 -0.061 -3.441 -99.200 -91.000 PHE 37 1.000 7.225 5.290 -3.915 -99.200 -91.000 PHE 45 1.000 1.809 3.624 -5.306 -99.200 -91.000 HIS 46 0.900 2.254 -3.558 -1.051 -99.200 -91.000 PHE 47 1.000 3.394 -0.964 -9.398 -99.200 -91.000 PHE 51 1.000 5.335 -11.314 -12.323 -99.200 -91.000 TRP 69 1.040 -1.475 -4.688 4.182 -99.200 -91.000 TRP6 69 1.020 -0.164 -3.227 2.853 -99.200 -91.000 PHE 78 1.000 1.518 -8.781 -14.080 -99.200 -91.000 PHE 80 1.000 5.822 -4.749 -13.774 -99.200 -91.000 PHE 86 1.000 11.420 -4.307 -13.520 -99.200 -91.000 HIS 96 0.900 -2.863 11.793 -10.049 -99.200 -91.000 PHE 97 1.000 2.970 8.199 -4.372 -99.200 -91.000 HIS 105 0.900 -1.376 6.267 -16.775 -99.200 -91.000 TYR 109 0.840 -2.671 4.062 -3.817 -99.200 -91.000 HIS 111 0.900 0.002 11.728 -3.459 -99.200 -91.000 TYR 135 0.840 16.464 10.629 -5.044 -99.200 -91.000