TABLE 2

Chemical shift assignments of lipopeptide in DMSO-D6 at 298.0 K

ResidueChemical shift (ppm)
15N/1HN13Cα/1Hα13Cβ/1HβOthers (13C/1H, C′, and OH)
FA74.61/3.815OHβ1, 5.613; CHβ2, 37.94/1.700CH2γ1, 22.94/1.383, 1.119; CH3γ2, 15.10/0.875; CH3δ1, 11.36/0.807; C′, 172.55
Dhb-1128.19/9.278131.23/∼a117.35/5.812CH3γ1, 12.65/1.742; C′, 164.43
Leu-2122.88/8.21951.29/4.28839.84/1.557, 1.546CHγ, 23.94/1.657; CH3δ1, 22.93/0.860; CH3δ2, 20.64/0.846
Orn-3115.69/8.01351.50/4.36228.57/1.679, 1.650CH2γ, 23.28/1.551, 1.507; CH2δ, 38.01/2.755; Hε, 7.670
Ile-4115.45/7.77456.03/4.26536.74/1.710CH2γ1, 23.78/1.353, 1.009; CH3γ2, 15.01/0.768; CH3δ1, 10.72/0.752
Ile-5120.69/8.0004.167/56.7035.64/1.708CH2γ1, 24.13/1.427, 1.043; CH3γ2, 14.94/0.764; CH3δ1, 10.58/0.772
Val-6118.58/7.8084.184/57.6430.43/1.928CH3γ1, 18.88/0.806; CH3γ2, 17.57/0.802
Lys-7119.20/7.9384.372/51.5831.73/1.630, 1.482CH2γ, 21.85/1.267; CH2δ, 26.22/1.491; CH2ε, 38.39/2.693; Hζ, 7.670; Nζ, 33.3
Val-8115.77/7.8834.224/57.1530.23/1.907CH3γ1, 18.89/0.790; CH3γ2, 17.89/0.757
Val-9118.72/7.8904.107/57.4529.94/1.937CH3γ1, 18.93/0.775; CH3γ2, 17.83/0.774
Lys-10120.14/7.7884.231/51.7931.39/1.433, 1.321CH2γ, 21.58/1.040; CH2δ, 26.28/1.419; CH2ε, 38.39/2.662; Hζ, 7.670; Nζ, 33.3
Tyr-11118.75/8.0954.471/54.0637.17/2.840, 2.603CHδ1 and CHδ2, 129.79/6.988; CHε1 and CHε2, 114.53/6.613; Cζ, 155.81; Hη, 9.189
Leu-12121.00/8.0954.226/50.8240.56/1.400, 1.383CHγ, 23.65/1.331; CH3δ1, 22.87/0.818; CH3δ2, 21.21/0.764
Valinol-13118.27/7.4053.530/55.24CH2β1, 61.04/3.340; CHβ2, 27.90/1.801OHg1, 4.507; CH3γ2, 19.31/0.814; CH3γ3, 17.71/0.786
  • a ∼, no 1Hα in this residue.