################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_CD79a_cyt_phosph_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79a_cyt_phosph_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19648 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19648 1 2 '3D HN(ca)CO' . . . 19648 1 3 '3D HNCA' . . . 19648 1 4 '3D HNCACB' . . . 19648 1 5 '3D HNCO' . . . 19648 1 6 '3D HN(CO)CA' . . . 19648 1 7 '3D HN(COCA)CB' . . . 19648 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 177.14 . . . . . . . 2 Leu C . 19648 1 2 . 1 1 2 2 LEU CA C 13 55.4461 . . . . . . . 2 Leu Ca . 19648 1 3 . 1 1 2 2 LEU CB C 13 42.4811 . . . . . . . 2 Leu Cb . 19648 1 4 . 1 1 3 3 ARG H H 1 8.43514 . . . . . . . 3 Arg H . 19648 1 5 . 1 1 3 3 ARG C C 13 176.175 . . . . . . . 3 Arg C . 19648 1 6 . 1 1 3 3 ARG CA C 13 56.1168 . . . . . . . 3 Arg Ca . 19648 1 7 . 1 1 3 3 ARG CB C 13 30.9567 . . . . . . . 3 Arg Cb . 19648 1 8 . 1 1 3 3 ARG N N 15 123.114 . . . . . . . 3 Arg N . 19648 1 9 . 1 1 4 4 LYS H H 1 8.34 . . . . . . . 4 Lys H . 19648 1 10 . 1 1 4 4 LYS C C 13 176.681 . . . . . . . 4 Lys C . 19648 1 11 . 1 1 4 4 LYS CA C 13 56.245 . . . . . . . 4 Lys Ca . 19648 1 12 . 1 1 4 4 LYS CB C 13 33.0719 . . . . . . . 4 Lys Cb . 19648 1 13 . 1 1 4 4 LYS N N 15 123.816 . . . . . . . 4 Lys N . 19648 1 14 . 1 1 5 5 ARG H H 1 8.38794 . . . . . . . 5 Arg H . 19648 1 15 . 1 1 5 5 ARG C C 13 175.95 . . . . . . . 5 Arg C . 19648 1 16 . 1 1 5 5 ARG CB C 13 30.5663 . . . . . . . 5 Arg Cb . 19648 1 17 . 1 1 5 5 ARG N N 15 123.193 . . . . . . . 5 Arg N . 19648 1 18 . 1 1 6 6 TRP H H 1 8.38546 . . . . . . . 6 Trp H . 19648 1 19 . 1 1 6 6 TRP C C 13 176.439 . . . . . . . 6 Trp C . 19648 1 20 . 1 1 6 6 TRP CA C 13 57.3974 . . . . . . . 6 Trp Ca . 19648 1 21 . 1 1 6 6 TRP CB C 13 29.4571 . . . . . . . 6 Trp Cb . 19648 1 22 . 1 1 6 6 TRP N N 15 122.812 . . . . . . . 6 Trp N . 19648 1 23 . 1 1 7 7 GLN H H 1 8.15422 . . . . . . . 7 Gln H . 19648 1 24 . 1 1 7 7 GLN C C 13 175.74 . . . . . . . 7 Gln C . 19648 1 25 . 1 1 7 7 GLN CA C 13 56.4466 . . . . . . . 7 Gln Ca . 19648 1 26 . 1 1 7 7 GLN CB C 13 29.3645 . . . . . . . 7 Gln Cb . 19648 1 27 . 1 1 7 7 GLN N N 15 122.102 . . . . . . . 7 Gln N . 19648 1 28 . 1 1 8 8 ASN H H 1 8.21259 . . . . . . . 8 Asn H . 19648 1 29 . 1 1 8 8 ASN C C 13 175.558 . . . . . . . 8 Asn C . 19648 1 30 . 1 1 8 8 ASN CA C 13 53.6625 . . . . . . . 8 Asn Ca . 19648 1 31 . 1 1 8 8 ASN CB C 13 38.7386 . . . . . . . 8 Asn Cb . 19648 1 32 . 1 1 8 8 ASN N N 15 119.537 . . . . . . . 8 Asn N . 19648 1 33 . 1 1 9 9 GLU H H 1 8.40364 . . . . . . . 9 Glu H . 19648 1 34 . 1 1 9 9 GLU C C 13 176.816 . . . . . . . 9 Glu C . 19648 1 35 . 1 1 9 9 GLU CA C 13 57.4006 . . . . . . . 9 Glu Ca . 19648 1 36 . 1 1 9 9 GLU CB C 13 29.9856 . . . . . . . 9 Glu Cb . 19648 1 37 . 1 1 9 9 GLU N N 15 122.01 . . . . . . . 9 Glu N . 19648 1 38 . 1 1 10 10 LYS H H 1 8.20992 . . . . . . . 10 Lys H . 19648 1 39 . 1 1 10 10 LYS C C 13 176.702 . . . . . . . 10 Lys C . 19648 1 40 . 1 1 10 10 LYS CA C 13 56.6179 . . . . . . . 10 Lys Ca . 19648 1 41 . 1 1 10 10 LYS CB C 13 32.6223 . . . . . . . 10 Lys Cb . 19648 1 42 . 1 1 10 10 LYS N N 15 121.879 . . . . . . . 10 Lys N . 19648 1 43 . 1 1 11 11 LEU H H 1 8.037 . . . . . . . 11 Leu H . 19648 1 44 . 1 1 11 11 LEU C C 13 177.84 . . . . . . . 11 Leu C . 19648 1 45 . 1 1 11 11 LEU CA C 13 55.2132 . . . . . . . 11 Leu Ca . 19648 1 46 . 1 1 11 11 LEU CB C 13 42.4882 . . . . . . . 11 Leu Cb . 19648 1 47 . 1 1 11 11 LEU N N 15 122.574 . . . . . . . 11 Leu N . 19648 1 48 . 1 1 12 12 GLY H H 1 8.25859 . . . . . . . 12 Gly H . 19648 1 49 . 1 1 12 12 GLY C C 13 174.324 . . . . . . . 12 Gly C . 19648 1 50 . 1 1 12 12 GLY CA C 13 45.4175 . . . . . . . 12 Gly Ca . 19648 1 51 . 1 1 12 12 GLY N N 15 110.041 . . . . . . . 12 Gly N . 19648 1 52 . 1 1 13 13 LEU H H 1 8.06513 . . . . . . . 13 Leu H . 19648 1 53 . 1 1 13 13 LEU C C 13 177.291 . . . . . . . 13 Leu C . 19648 1 54 . 1 1 13 13 LEU CA C 13 55.2434 . . . . . . . 13 Leu Ca . 19648 1 55 . 1 1 13 13 LEU CB C 13 42.3946 . . . . . . . 13 Leu Cb . 19648 1 56 . 1 1 13 13 LEU N N 15 122.112 . . . . . . . 13 Leu N . 19648 1 57 . 1 1 14 14 ASP H H 1 8.40328 . . . . . . . 14 Asp H . 19648 1 58 . 1 1 14 14 ASP C C 13 176 . . . . . . . 14 Asp C . 19648 1 59 . 1 1 14 14 ASP CA C 13 54.2291 . . . . . . . 14 Asp Ca . 19648 1 60 . 1 1 14 14 ASP CB C 13 41.1808 . . . . . . . 14 Asp Cb . 19648 1 61 . 1 1 14 14 ASP N N 15 121.632 . . . . . . . 14 Asp N . 19648 1 62 . 1 1 15 15 ALA H H 1 8.18768 . . . . . . . 15 Ala H . 19648 1 63 . 1 1 15 15 ALA C C 13 178.286 . . . . . . . 15 Ala C . 19648 1 64 . 1 1 15 15 ALA CA C 13 52.8739 . . . . . . . 15 Ala Ca . 19648 1 65 . 1 1 15 15 ALA CB C 13 19.36 . . . . . . . 15 Ala Cb . 19648 1 66 . 1 1 15 15 ALA N N 15 125.138 . . . . . . . 15 Ala N . 19648 1 67 . 1 1 16 16 GLY H H 1 8.38053 . . . . . . . 16 Gly H . 19648 1 68 . 1 1 16 16 GLY C C 13 174.118 . . . . . . . 16 Gly C . 19648 1 69 . 1 1 16 16 GLY CA C 13 45.2704 . . . . . . . 16 Gly Ca . 19648 1 70 . 1 1 16 16 GLY N N 15 108.788 . . . . . . . 16 Gly N . 19648 1 71 . 1 1 17 17 ASP H H 1 8.16435 . . . . . . . 17 Asp H . 19648 1 72 . 1 1 17 17 ASP C C 13 176.302 . . . . . . . 17 Asp C . 19648 1 73 . 1 1 17 17 ASP CA C 13 54.4123 . . . . . . . 17 Asp Ca . 19648 1 74 . 1 1 17 17 ASP CB C 13 41.3454 . . . . . . . 17 Asp Cb . 19648 1 75 . 1 1 17 17 ASP N N 15 121.152 . . . . . . . 17 Asp N . 19648 1 76 . 1 1 18 18 GLU H H 1 8.38902 . . . . . . . 18 Glu H . 19648 1 77 . 1 1 18 18 GLU C C 13 176.102 . . . . . . . 18 Glu C . 19648 1 78 . 1 1 18 18 GLU CA C 13 56.6736 . . . . . . . 18 Glu Ca . 19648 1 79 . 1 1 18 18 GLU CB C 13 30.2103 . . . . . . . 18 Glu Cb . 19648 1 80 . 1 1 18 18 GLU N N 15 121.271 . . . . . . . 18 Glu N . 19648 1 81 . 1 1 19 19 TYR H H 1 8.16845 . . . . . . . 19 Tyr H . 19648 1 82 . 1 1 19 19 TYR C C 13 175.684 . . . . . . . 19 Tyr C . 19648 1 83 . 1 1 19 19 TYR CA C 13 57.8743 . . . . . . . 19 Tyr Ca . 19648 1 84 . 1 1 19 19 TYR CB C 13 39.0342 . . . . . . . 19 Tyr Cb . 19648 1 85 . 1 1 19 19 TYR N N 15 121.614 . . . . . . . 19 Tyr N . 19648 1 86 . 1 1 20 20 GLU H H 1 8.19478 . . . . . . . 20 Glu H . 19648 1 87 . 1 1 20 20 GLU C C 13 175.773 . . . . . . . 20 Glu C . 19648 1 88 . 1 1 20 20 GLU CA C 13 56.2491 . . . . . . . 20 Glu Ca . 19648 1 89 . 1 1 20 20 GLU CB C 13 30.6148 . . . . . . . 20 Glu Cb . 19648 1 90 . 1 1 20 20 GLU N N 15 123.51 . . . . . . . 20 Glu N . 19648 1 91 . 1 1 21 21 ASP H H 1 8.30001 . . . . . . . 21 Asp H . 19648 1 92 . 1 1 21 21 ASP C C 13 176.417 . . . . . . . 21 Asp C . 19648 1 93 . 1 1 21 21 ASP CA C 13 54.3874 . . . . . . . 21 Asp Ca . 19648 1 94 . 1 1 21 21 ASP CB C 13 41.3107 . . . . . . . 21 Asp Cb . 19648 1 95 . 1 1 21 21 ASP N N 15 122.609 . . . . . . . 21 Asp N . 19648 1 96 . 1 1 22 22 GLU H H 1 8.42986 . . . . . . . 22 Glu H . 19648 1 97 . 1 1 22 22 GLU C C 13 176.271 . . . . . . . 22 Glu C . 19648 1 98 . 1 1 22 22 GLU CA C 13 56.9172 . . . . . . . 22 Glu Ca . 19648 1 99 . 1 1 22 22 GLU CB C 13 30.3272 . . . . . . . 22 Glu Cb . 19648 1 100 . 1 1 22 22 GLU N N 15 122.692 . . . . . . . 22 Glu N . 19648 1 101 . 1 1 23 23 ASN H H 1 8.52047 . . . . . . . 23 Asn H . 19648 1 102 . 1 1 23 23 ASN C C 13 175.219 . . . . . . . 23 Asn C . 19648 1 103 . 1 1 23 23 ASN CA C 13 53.3082 . . . . . . . 23 Asn Ca . 19648 1 104 . 1 1 23 23 ASN CB C 13 38.7373 . . . . . . . 23 Asn Cb . 19648 1 105 . 1 1 23 23 ASN N N 15 120.36 . . . . . . . 23 Asn N . 19648 1 106 . 1 1 24 24 LEU H H 1 8.10953 . . . . . . . 24 Leu H . 19648 1 107 . 1 1 24 24 LEU C C 13 177.26 . . . . . . . 24 Leu C . 19648 1 108 . 1 1 24 24 LEU CA C 13 55.3543 . . . . . . . 24 Leu Ca . 19648 1 109 . 1 1 24 24 LEU CB C 13 42.2331 . . . . . . . 24 Leu Cb . 19648 1 110 . 1 1 24 24 LEU N N 15 123.175 . . . . . . . 24 Leu N . 19648 1 111 . 1 1 25 25 TYR H H 1 8.20479 . . . . . . . 25 Tyr H . 19648 1 112 . 1 1 25 25 TYR C C 13 175.933 . . . . . . . 25 Tyr C . 19648 1 113 . 1 1 25 25 TYR CA C 13 58.032 . . . . . . . 25 Tyr Ca . 19648 1 114 . 1 1 25 25 TYR CB C 13 38.7354 . . . . . . . 25 Tyr Cb . 19648 1 115 . 1 1 25 25 TYR N N 15 121.105 . . . . . . . 25 Tyr N . 19648 1 116 . 1 1 26 26 GLU H H 1 8.21481 . . . . . . . 26 Glu H . 19648 1 117 . 1 1 26 26 GLU C C 13 176.772 . . . . . . . 26 Glu C . 19648 1 118 . 1 1 26 26 GLU CA C 13 56.7695 . . . . . . . 26 Glu Ca . 19648 1 119 . 1 1 26 26 GLU CB C 13 30.2663 . . . . . . . 26 Glu Cb . 19648 1 120 . 1 1 26 26 GLU N N 15 123.165 . . . . . . . 26 Glu N . 19648 1 121 . 1 1 27 27 GLY H H 1 8.15429 . . . . . . . 27 Gly H . 19648 1 122 . 1 1 27 27 GLY C C 13 174.002 . . . . . . . 27 Gly C . 19648 1 123 . 1 1 27 27 GLY CA C 13 45.3759 . . . . . . . 27 Gly Ca . 19648 1 124 . 1 1 27 27 GLY N N 15 110.514 . . . . . . . 27 Gly N . 19648 1 125 . 1 1 28 28 LEU H H 1 8.02323 . . . . . . . 28 Leu H . 19648 1 126 . 1 1 28 28 LEU C C 13 176.949 . . . . . . . 28 Leu C . 19648 1 127 . 1 1 28 28 LEU CA C 13 55.1088 . . . . . . . 28 Leu Ca . 19648 1 128 . 1 1 28 28 LEU CB C 13 42.6666 . . . . . . . 28 Leu Cb . 19648 1 129 . 1 1 28 28 LEU N N 15 122.022 . . . . . . . 28 Leu N . 19648 1 130 . 1 1 29 29 ASN H H 1 8.54368 . . . . . . . 29 Asn H . 19648 1 131 . 1 1 29 29 ASN C C 13 175.301 . . . . . . . 29 Asn C . 19648 1 132 . 1 1 29 29 ASN CA C 13 53.0424 . . . . . . . 29 Asn Ca . 19648 1 133 . 1 1 29 29 ASN CB C 13 38.6919 . . . . . . . 29 Asn Cb . 19648 1 134 . 1 1 29 29 ASN N N 15 120.697 . . . . . . . 29 Asn N . 19648 1 135 . 1 1 30 30 LEU H H 1 8.31796 . . . . . . . 30 Leu H . 19648 1 136 . 1 1 30 30 LEU C C 13 177.475 . . . . . . . 30 Leu C . 19648 1 137 . 1 1 30 30 LEU CA C 13 55.4174 . . . . . . . 30 Leu Ca . 19648 1 138 . 1 1 30 30 LEU CB C 13 42.1353 . . . . . . . 30 Leu Cb . 19648 1 139 . 1 1 30 30 LEU N N 15 123.871 . . . . . . . 30 Leu N . 19648 1 140 . 1 1 31 31 ASP H H 1 8.28503 . . . . . . . 31 Asp H . 19648 1 141 . 1 1 31 31 ASP C C 13 176.16 . . . . . . . 31 Asp C . 19648 1 142 . 1 1 31 31 ASP CA C 13 54.6461 . . . . . . . 31 Asp Ca . 19648 1 143 . 1 1 31 31 ASP CB C 13 41.1296 . . . . . . . 31 Asp Cb . 19648 1 144 . 1 1 31 31 ASP N N 15 121.105 . . . . . . . 31 Asp N . 19648 1 145 . 1 1 32 32 ASP H H 1 8.1524 . . . . . . . 32 Asp H . 19648 1 146 . 1 1 32 32 ASP C C 13 176.492 . . . . . . . 32 Asp C . 19648 1 147 . 1 1 32 32 ASP CA C 13 54.4258 . . . . . . . 32 Asp Ca . 19648 1 148 . 1 1 32 32 ASP CB C 13 40.9813 . . . . . . . 32 Asp Cb . 19648 1 149 . 1 1 32 32 ASP N N 15 121.363 . . . . . . . 32 Asp N . 19648 1 150 . 1 1 33 33 CYS H H 1 8.28704 . . . . . . . 33 Cys H . 19648 1 151 . 1 1 33 33 CYS C C 13 175.016 . . . . . . . 33 Cys C . 19648 1 152 . 1 1 33 33 CYS CA C 13 58.8418 . . . . . . . 33 Cys Ca . 19648 1 153 . 1 1 33 33 CYS CB C 13 27.9825 . . . . . . . 33 Cys Cb . 19648 1 154 . 1 1 33 33 CYS N N 15 120.367 . . . . . . . 33 Cys N . 19648 1 155 . 1 1 34 34 SER H H 1 8.42945 . . . . . . . 34 Ser H . 19648 1 156 . 1 1 34 34 SER C C 13 174.778 . . . . . . . 34 Ser C . 19648 1 157 . 1 1 34 34 SER CA C 13 59.039 . . . . . . . 34 Ser Ca . 19648 1 158 . 1 1 34 34 SER CB C 13 63.57 . . . . . . . 34 Ser Cb . 19648 1 159 . 1 1 34 34 SER N N 15 119.111 . . . . . . . 34 Ser N . 19648 1 160 . 1 1 35 35 MET H H 1 8.31858 . . . . . . . 35 Met H . 19648 1 161 . 1 1 35 35 MET C C 13 176.108 . . . . . . . 35 Met C . 19648 1 162 . 1 1 35 35 MET CA C 13 55.7499 . . . . . . . 35 Met Ca . 19648 1 163 . 1 1 35 35 MET CB C 13 32.462 . . . . . . . 35 Met Cb . 19648 1 164 . 1 1 35 35 MET N N 15 122.704 . . . . . . . 35 Met N . 19648 1 165 . 1 1 36 36 TYR H H 1 8.09646 . . . . . . . 36 Tyr H . 19648 1 166 . 1 1 36 36 TYR C C 13 176.024 . . . . . . . 36 Tyr C . 19648 1 167 . 1 1 36 36 TYR CA C 13 58.1136 . . . . . . . 36 Tyr Ca . 19648 1 168 . 1 1 36 36 TYR CB C 13 38.8951 . . . . . . . 36 Tyr Cb . 19648 1 169 . 1 1 36 36 TYR N N 15 121.32 . . . . . . . 36 Tyr N . 19648 1 170 . 1 1 37 37 GLU H H 1 8.28508 . . . . . . . 37 Glu H . 19648 1 171 . 1 1 37 37 GLU C C 13 176.067 . . . . . . . 37 Glu C . 19648 1 172 . 1 1 37 37 GLU CA C 13 56.7461 . . . . . . . 37 Glu Ca . 19648 1 173 . 1 1 37 37 GLU CB C 13 30.4887 . . . . . . . 37 Glu Cb . 19648 1 174 . 1 1 37 37 GLU N N 15 122.327 . . . . . . . 37 Glu N . 19648 1 175 . 1 1 38 38 ASP H H 1 8.32799 . . . . . . . 38 Asp H . 19648 1 176 . 1 1 38 38 ASP C C 13 177.009 . . . . . . . 38 Asp C . 19648 1 177 . 1 1 38 38 ASP CA C 13 54.389 . . . . . . . 38 Asp Ca . 19648 1 178 . 1 1 38 38 ASP CB C 13 41.0444 . . . . . . . 38 Asp Cb . 19648 1 179 . 1 1 38 38 ASP N N 15 122.309 . . . . . . . 38 Asp N . 19648 1 180 . 1 1 39 39 ILE H H 1 8.12773 . . . . . . . 39 Ile H . 19648 1 181 . 1 1 39 39 ILE C C 13 177.011 . . . . . . . 39 Ile C . 19648 1 182 . 1 1 39 39 ILE CA C 13 61.9866 . . . . . . . 39 Ile Ca . 19648 1 183 . 1 1 39 39 ILE CB C 13 38.6098 . . . . . . . 39 Ile Cb . 19648 1 184 . 1 1 39 39 ILE N N 15 122.161 . . . . . . . 39 Ile N . 19648 1 185 . 1 1 40 40 SER H H 1 8.36059 . . . . . . . 40 Ser H . 19648 1 186 . 1 1 40 40 SER C C 13 175.211 . . . . . . . 40 Ser C . 19648 1 187 . 1 1 40 40 SER CA C 13 59.2969 . . . . . . . 40 Ser Ca . 19648 1 188 . 1 1 40 40 SER CB C 13 63.5641 . . . . . . . 40 Ser Cb . 19648 1 189 . 1 1 40 40 SER N N 15 119.398 . . . . . . . 40 Ser N . 19648 1 190 . 1 1 41 41 ARG H H 1 8.13367 . . . . . . . 41 Arg H . 19648 1 191 . 1 1 41 41 ARG C C 13 177.087 . . . . . . . 41 Arg C . 19648 1 192 . 1 1 41 41 ARG CA C 13 56.7233 . . . . . . . 41 Arg Ca . 19648 1 193 . 1 1 41 41 ARG CB C 13 30.4574 . . . . . . . 41 Arg Cb . 19648 1 194 . 1 1 41 41 ARG N N 15 123.331 . . . . . . . 41 Arg N . 19648 1 195 . 1 1 42 42 GLY H H 1 8.22795 . . . . . . . 42 Gly H . 19648 1 196 . 1 1 42 42 GLY C C 13 174.365 . . . . . . . 42 Gly C . 19648 1 197 . 1 1 42 42 GLY CA C 13 45.42 . . . . . . . 42 Gly Ca . 19648 1 198 . 1 1 42 42 GLY N N 15 109.573 . . . . . . . 42 Gly N . 19648 1 199 . 1 1 43 43 LEU H H 1 8.07318 . . . . . . . 43 Leu H . 19648 1 200 . 1 1 43 43 LEU C C 13 177.767 . . . . . . . 43 Leu C . 19648 1 201 . 1 1 43 43 LEU CA C 13 55.2384 . . . . . . . 43 Leu Ca . 19648 1 202 . 1 1 43 43 LEU CB C 13 42.2633 . . . . . . . 43 Leu Cb . 19648 1 203 . 1 1 43 43 LEU N N 15 122.112 . . . . . . . 43 Leu N . 19648 1 204 . 1 1 44 44 GLN H H 1 8.39541 . . . . . . . 44 Gln H . 19648 1 205 . 1 1 44 44 GLN C C 13 176.625 . . . . . . . 44 Gln C . 19648 1 206 . 1 1 44 44 GLN CA C 13 56.1452 . . . . . . . 44 Gln Ca . 19648 1 207 . 1 1 44 44 GLN CB C 13 29.3729 . . . . . . . 44 Gln Cb . 19648 1 208 . 1 1 44 44 GLN N N 15 121.541 . . . . . . . 44 Gln N . 19648 1 209 . 1 1 45 45 GLY H H 1 8.48225 . . . . . . . 45 Gly H . 19648 1 210 . 1 1 45 45 GLY C C 13 174.336 . . . . . . . 45 Gly C . 19648 1 211 . 1 1 45 45 GLY CA C 13 45.4271 . . . . . . . 45 Gly Ca . 19648 1 212 . 1 1 45 45 GLY N N 15 111.007 . . . . . . . 45 Gly N . 19648 1 213 . 1 1 46 46 THR H H 1 7.9788 . . . . . . . 46 Thr H . 19648 1 214 . 1 1 46 46 THR C C 13 174.564 . . . . . . . 46 Thr C . 19648 1 215 . 1 1 46 46 THR CA C 13 61.7749 . . . . . . . 46 Thr Ca . 19648 1 216 . 1 1 46 46 THR CB C 13 70.0525 . . . . . . . 46 Thr Cb . 19648 1 217 . 1 1 46 46 THR N N 15 113.989 . . . . . . . 46 Thr N . 19648 1 218 . 1 1 47 47 TYR H H 1 8.26919 . . . . . . . 47 Tyr H . 19648 1 219 . 1 1 47 47 TYR C C 13 175.766 . . . . . . . 47 Tyr C . 19648 1 220 . 1 1 47 47 TYR CA C 13 57.9788 . . . . . . . 47 Tyr Ca . 19648 1 221 . 1 1 47 47 TYR CB C 13 38.7457 . . . . . . . 47 Tyr Cb . 19648 1 222 . 1 1 47 47 TYR N N 15 122.836 . . . . . . . 47 Tyr N . 19648 1 223 . 1 1 48 48 GLN H H 1 8.23585 . . . . . . . 48 Gln H . 19648 1 224 . 1 1 48 48 GLN C C 13 175.316 . . . . . . . 48 Gln C . 19648 1 225 . 1 1 48 48 GLN CA C 13 55.7968 . . . . . . . 48 Gln Ca . 19648 1 226 . 1 1 48 48 GLN CB C 13 29.6744 . . . . . . . 48 Gln Cb . 19648 1 227 . 1 1 48 48 GLN N N 15 121.95 . . . . . . . 48 Gln N . 19648 1 228 . 1 1 49 49 ASP H H 1 8.37422 . . . . . . . 49 Asp H . 19648 1 229 . 1 1 49 49 ASP C C 13 176.668 . . . . . . . 49 Asp C . 19648 1 230 . 1 1 49 49 ASP CA C 13 54.2077 . . . . . . . 49 Asp Ca . 19648 1 231 . 1 1 49 49 ASP CB C 13 41.1829 . . . . . . . 49 Asp Cb . 19648 1 232 . 1 1 49 49 ASP N N 15 122.903 . . . . . . . 49 Asp N . 19648 1 233 . 1 1 50 50 VAL H H 1 8.2048 . . . . . . . 50 Val H . 19648 1 234 . 1 1 50 50 VAL C C 13 177.117 . . . . . . . 50 Val C . 19648 1 235 . 1 1 50 50 VAL CA C 13 62.8851 . . . . . . . 50 Val Ca . 19648 1 236 . 1 1 50 50 VAL CB C 13 32.2707 . . . . . . . 50 Val Cb . 19648 1 237 . 1 1 50 50 VAL N N 15 121.41 . . . . . . . 50 Val N . 19648 1 238 . 1 1 51 51 GLY H H 1 8.49775 . . . . . . . 51 Gly H . 19648 1 239 . 1 1 51 51 GLY C C 13 174.498 . . . . . . . 51 Gly C . 19648 1 240 . 1 1 51 51 GLY CA C 13 45.5308 . . . . . . . 51 Gly Ca . 19648 1 241 . 1 1 51 51 GLY N N 15 112.5 . . . . . . . 51 Gly N . 19648 1 242 . 1 1 52 52 SER H H 1 8.09688 . . . . . . . 52 Ser H . 19648 1 243 . 1 1 52 52 SER C C 13 174.625 . . . . . . . 52 Ser C . 19648 1 244 . 1 1 52 52 SER CA C 13 58.4702 . . . . . . . 52 Ser Ca . 19648 1 245 . 1 1 52 52 SER CB C 13 63.803 . . . . . . . 52 Ser Cb . 19648 1 246 . 1 1 52 52 SER N N 15 116.264 . . . . . . . 52 Ser N . 19648 1 247 . 1 1 53 53 LEU H H 1 8.16432 . . . . . . . 53 Leu H . 19648 1 248 . 1 1 53 53 LEU C C 13 177.068 . . . . . . . 53 Leu C . 19648 1 249 . 1 1 53 53 LEU CA C 13 55.2965 . . . . . . . 53 Leu Ca . 19648 1 250 . 1 1 53 53 LEU CB C 13 42.427 . . . . . . . 53 Leu Cb . 19648 1 251 . 1 1 53 53 LEU N N 15 124.21 . . . . . . . 53 Leu N . 19648 1 252 . 1 1 54 54 ASN H H 1 8.43905 . . . . . . . 54 Asn H . 19648 1 253 . 1 1 54 54 ASN C C 13 175.276 . . . . . . . 54 Asn C . 19648 1 254 . 1 1 54 54 ASN CA C 13 53.0771 . . . . . . . 54 Asn Ca . 19648 1 255 . 1 1 54 54 ASN CB C 13 38.7837 . . . . . . . 54 Asn Cb . 19648 1 256 . 1 1 54 54 ASN N N 15 120.607 . . . . . . . 54 Asn N . 19648 1 257 . 1 1 55 55 ILE H H 1 8.1147 . . . . . . . 55 Ile H . 19648 1 258 . 1 1 55 55 ILE C C 13 176.822 . . . . . . . 55 Ile C . 19648 1 259 . 1 1 55 55 ILE CA C 13 61.6795 . . . . . . . 55 Ile Ca . 19648 1 260 . 1 1 55 55 ILE CB C 13 38.6581 . . . . . . . 55 Ile Cb . 19648 1 261 . 1 1 55 55 ILE N N 15 121.891 . . . . . . . 55 Ile N . 19648 1 262 . 1 1 56 56 GLY H H 1 8.4289 . . . . . . . 56 Gly H . 19648 1 263 . 1 1 56 56 GLY C C 13 173.902 . . . . . . . 56 Gly C . 19648 1 264 . 1 1 56 56 GLY CA C 13 45.2123 . . . . . . . 56 Gly Ca . 19648 1 265 . 1 1 56 56 GLY N N 15 113.007 . . . . . . . 56 Gly N . 19648 1 266 . 1 1 57 57 ASP H H 1 8.15344 . . . . . . . 57 Asp H . 19648 1 267 . 1 1 57 57 ASP C C 13 176.457 . . . . . . . 57 Asp C . 19648 1 268 . 1 1 57 57 ASP CA C 13 54.3871 . . . . . . . 57 Asp Ca . 19648 1 269 . 1 1 57 57 ASP CB C 13 41.2135 . . . . . . . 57 Asp Cb . 19648 1 270 . 1 1 57 57 ASP N N 15 121.5 . . . . . . . 57 Asp N . 19648 1 271 . 1 1 58 58 VAL H H 1 8.04619 . . . . . . . 58 Val H . 19648 1 272 . 1 1 58 58 VAL C C 13 176.155 . . . . . . . 58 Val C . 19648 1 273 . 1 1 58 58 VAL CA C 13 62.4921 . . . . . . . 58 Val Ca . 19648 1 274 . 1 1 58 58 VAL CB C 13 32.814 . . . . . . . 58 Val Cb . 19648 1 275 . 1 1 58 58 VAL N N 15 121.391 . . . . . . . 58 Val N . 19648 1 276 . 1 1 59 59 GLN H H 1 8.48272 . . . . . . . 59 Gln H . 19648 1 277 . 1 1 59 59 GLN C C 13 175.776 . . . . . . . 59 Gln C . 19648 1 278 . 1 1 59 59 GLN CA C 13 55.533 . . . . . . . 59 Gln Ca . 19648 1 279 . 1 1 59 59 GLN CB C 13 29.3555 . . . . . . . 59 Gln Cb . 19648 1 280 . 1 1 59 59 GLN N N 15 125.153 . . . . . . . 59 Gln N . 19648 1 281 . 1 1 60 60 LEU H H 1 8.26744 . . . . . . . 60 Leu H . 19648 1 282 . 1 1 60 60 LEU C C 13 177.314 . . . . . . . 60 Leu C . 19648 1 283 . 1 1 60 60 LEU CA C 13 55.1108 . . . . . . . 60 Leu Ca . 19648 1 284 . 1 1 60 60 LEU CB C 13 42.5599 . . . . . . . 60 Leu Cb . 19648 1 285 . 1 1 60 60 LEU N N 15 124.932 . . . . . . . 60 Leu N . 19648 1 286 . 1 1 61 61 GLU H H 1 8.34105 . . . . . . . 61 Glu H . 19648 1 287 . 1 1 61 61 GLU C C 13 175.986 . . . . . . . 61 Glu C . 19648 1 288 . 1 1 61 61 GLU CA C 13 56.3311 . . . . . . . 61 Glu Ca . 19648 1 289 . 1 1 61 61 GLU CB C 13 30.3471 . . . . . . . 61 Glu Cb . 19648 1 290 . 1 1 61 61 GLU N N 15 122.678 . . . . . . . 61 Glu N . 19648 1 291 . 1 1 62 62 LYS H H 1 8.33009 . . . . . . . 62 Lys H . 19648 1 292 . 1 1 62 62 LYS N N 15 125.203 . . . . . . . 62 Lys N . 19648 1 stop_ save_