============================================================================= 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 6 1.000 19.706 -2.535 -26.999 -99.200 -91.000 PHE 22 1.000 14.536 -9.502 -26.416 -99.200 -91.000 TYR 33 0.840 21.125 -7.001 -28.146 -99.200 -91.000 HIS 36 0.900 27.597 -13.094 -28.690 -99.200 -91.000 PHE 40 1.000 23.855 -0.986 -23.394 -99.200 -91.000 TYR 47 0.840 22.199 9.313 -14.387 -99.200 -91.000 TYR 48 0.840 23.764 4.005 -21.521 -99.200 -91.000 TYR 49 0.840 13.076 4.042 -20.394 -99.200 -91.000 PHE 50 1.000 19.653 -0.373 -20.792 -99.200 -91.000 PHE 52 1.000 10.453 -6.198 -20.215 -99.200 -91.000 TRP 58 1.040 0.472 -20.837 -23.407 -99.200 -91.000 TRP6 58 1.020 -1.764 -21.557 -23.125 -99.200 -91.000 PHE 78 1.000 8.553 -3.981 -14.996 -99.200 -91.000 PHE 87 1.000 -0.401 -13.788 -30.830 -99.200 -91.000 TRP 105 1.040 21.003 -10.518 -18.255 -99.200 -91.000 TRP6 105 1.020 22.869 -9.751 -17.015 -99.200 -91.000 HIS 114 0.900 4.304 -19.100 -24.564 -99.200 -91.000 TYR 116 0.840 4.083 -15.933 -31.762 -99.200 -91.000 PHE 125 1.000 17.139 -5.407 -23.704 -99.200 -91.000 PHE 128 1.000 16.043 5.775 -25.281 -99.200 -91.000 PHE 131 1.000 22.213 12.858 -17.490 -99.200 -91.000