============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 8 1.000 -6.458 8.524 -0.914 -99.200 -91.000 PHE 10 1.000 -5.842 1.692 -7.914 -99.200 -91.000 HIS 17 0.900 -13.211 -10.559 3.766 -99.200 -91.000 TYR 20 0.840 -9.919 1.253 5.864 -99.200 -91.000 HIS 25 0.900 -6.550 6.211 6.564 -99.200 -91.000 TYR 33 0.840 5.216 -1.444 6.641 -99.200 -91.000 TYR 41 0.840 13.047 -15.348 13.471 -99.200 -91.000 TYR 46 0.840 5.110 -6.045 15.459 -99.200 -91.000 TYR 53 0.840 -0.870 3.106 13.940 -99.200 -91.000 TYR 56 0.840 6.865 10.386 12.762 -99.200 -91.000 PHE 61 1.000 2.843 7.244 9.088 -99.200 -91.000 PHE 66 1.000 -4.194 -3.346 1.293 -99.200 -91.000 PHE 71 1.000 -5.093 -19.761 -5.412 -99.200 -91.000 PHE 85 1.000 10.360 -23.691 9.970 -99.200 -91.000 PHE 90 1.000 0.694 -8.384 11.175 -99.200 -91.000 PHE 94 1.000 0.682 -1.983 11.701 -99.200 -91.000 HIS 108 0.900 -6.819 -4.563 -4.447 -99.200 -91.000 TYR 111 0.840 0.032 -4.365 -2.432 -99.200 -91.000 TYR 113 0.840 -1.406 4.073 -8.594 -99.200 -91.000 TRP 129 1.040 12.550 -8.649 -0.039 -99.200 -91.000 TRP6 129 1.020 13.791 -10.656 -0.034 -99.200 -91.000 PHE 131 1.000 5.564 -6.766 8.532 -99.200 -91.000 PHE 134 1.000 4.697 -0.360 -3.005 -99.200 -91.000 PHE 146 1.000 11.054 3.827 2.412 -99.200 -91.000