============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 -17.058 -10.692 -0.472 -99.200 -91.000 HIS 10 0.900 -14.121 -24.755 0.013 -99.200 -91.000 HIS 14 0.900 -5.987 -33.529 5.866 -99.200 -91.000 PHE 15 1.000 -2.480 -26.398 5.013 -99.200 -91.000 HIS 39 0.900 -12.393 3.987 18.932 -99.200 -91.000 TRP 44 1.040 -4.155 -4.724 12.013 -99.200 -91.000 TRP6 44 1.020 -6.466 -4.264 11.679 -99.200 -91.000 PHE 46 1.000 -2.100 -9.267 10.215 -99.200 -91.000 TYR 61 0.840 -4.683 -26.229 23.910 -99.200 -91.000 PHE 65 1.000 2.122 -31.838 16.449 -99.200 -91.000 PHE 78 1.000 1.368 -12.751 19.008 -99.200 -91.000 PHE 99 1.000 -2.981 10.155 10.653 -99.200 -91.000 TYR 106 0.840 -10.051 9.691 16.302 -99.200 -91.000 PHE 107 1.000 -5.380 7.947 14.450 -99.200 -91.000 PHE 114 1.000 -8.390 3.250 22.321 -99.200 -91.000 TYR 117 0.840 -12.506 1.587 25.481 -99.200 -91.000 TYR 125 0.840 -11.103 -1.062 20.374 -99.200 -91.000 PHE 153 1.000 -3.733 -19.893 19.548 -99.200 -91.000 PHE 168 1.000 2.332 -5.560 19.937 -99.200 -91.000 TYR 178 0.840 -0.235 -22.472 -3.116 -99.200 -91.000 TYR 187 0.840 -26.786 -26.271 8.314 -99.200 -91.000