============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 5 1.000 27.545 -0.148 4.049 -99.200 -91.000 TRP 8 1.040 20.103 -0.657 -3.646 -99.200 -91.000 TRP6 8 1.020 20.544 -1.980 -1.712 -99.200 -91.000 PHE 9 1.000 23.614 -0.078 3.872 -99.200 -91.000 HIS 10 0.900 22.167 6.611 -0.007 -99.200 -91.000 HIS 16 0.900 12.270 15.811 7.513 -99.200 -91.000 PHE 29 1.000 13.330 6.359 -9.109 -99.200 -91.000 PHE 30 1.000 15.488 0.279 -3.675 -99.200 -91.000 PHE 42 1.000 21.166 -1.496 8.427 -99.200 -91.000 HIS 48 0.900 4.311 2.793 -1.057 -99.200 -91.000 HIS 54 0.900 9.369 5.727 5.942 -99.200 -91.000 PHE 55 1.000 7.446 -1.504 2.658 -99.200 -91.000 TYR 65 0.840 19.917 -9.611 5.603 -99.200 -91.000 PHE 66 1.000 11.472 -12.456 8.259 -99.200 -91.000 TRP 68 1.040 5.643 -7.729 2.691 -99.200 -91.000 TRP6 68 1.020 3.973 -6.801 4.105 -99.200 -91.000 PHE 72 1.000 13.948 -12.337 -0.368 -99.200 -91.000 TYR 81 0.840 10.328 -12.171 -3.742 -99.200 -91.000 TYR 82 0.840 9.802 -7.869 -1.457 -99.200 -91.000 PHE 94 1.000 5.826 -4.815 -9.568 -99.200 -91.000