################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11006 _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 ; 1H chemicasl shift error derivation came from the resonance list from SPARKY soft ware. ; _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 DQF-COSY' . . . 11006 1 2 '2D 1H-1H TOCSY' . . . 11006 1 3 '2D 1H-1H NOESY' . . . 11006 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 11006 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 1 1 ASP HA H 1 4.198 0.002 . 1 . . . . 1 ASP HA . 11006 1 2 . 1 1 1 1 ASP HB2 H 1 2.736 0.001 . 2 . . . . 1 ASP HB2 . 11006 1 3 . 1 1 1 1 ASP HB3 H 1 2.585 0 . 2 . . . . 1 ASP HB3 . 11006 1 4 . 1 1 2 2 VAL H H 1 8.543 0.002 . 1 . . . . 2 VAL H . 11006 1 5 . 1 1 2 2 VAL HA H 1 4.054 0.002 . 1 . . . . 2 VAL HA . 11006 1 6 . 1 1 2 2 VAL HB H 1 1.983 0.002 . 1 . . . . 2 VAL HB . 11006 1 7 . 1 1 2 2 VAL HG11 H 1 0.823 0.001 . 1 . . . . 2 VAL HG1 . 11006 1 8 . 1 1 2 2 VAL HG12 H 1 0.823 0.001 . 1 . . . . 2 VAL HG1 . 11006 1 9 . 1 1 2 2 VAL HG13 H 1 0.823 0.001 . 1 . . . . 2 VAL HG1 . 11006 1 10 . 1 1 2 2 VAL HG21 H 1 0.823 0.001 . 1 . . . . 2 VAL HG2 . 11006 1 11 . 1 1 2 2 VAL HG22 H 1 0.823 0.001 . 1 . . . . 2 VAL HG2 . 11006 1 12 . 1 1 2 2 VAL HG23 H 1 0.823 0.001 . 1 . . . . 2 VAL HG2 . 11006 1 13 . 1 1 3 3 ASN H H 1 8.448 0.004 . 1 . . . . 3 ASN H . 11006 1 14 . 1 1 3 3 ASN HA H 1 4.665 0.001 . 1 . . . . 3 ASN HA . 11006 1 15 . 1 1 3 3 ASN HB2 H 1 2.682 0.004 . 1 . . . . 3 ASN HB2 . 11006 1 16 . 1 1 3 3 ASN HB3 H 1 2.682 0.004 . 1 . . . . 3 ASN HB3 . 11006 1 17 . 1 1 3 3 ASN HD21 H 1 6.836 0.001 . 2 . . . . 3 ASN HD21 . 11006 1 18 . 1 1 3 3 ASN HD22 H 1 7.507 0.003 . 2 . . . . 3 ASN HD22 . 11006 1 19 . 1 1 4 4 GLU H H 1 8.501 0.003 . 1 . . . . 4 GLU H . 11006 1 20 . 1 1 4 4 GLU HA H 1 4.221 0.002 . 1 . . . . 4 GLU HA . 11006 1 21 . 1 1 4 4 GLU HB2 H 1 1.985 0.002 . 2 . . . . 4 GLU HB2 . 11006 1 22 . 1 1 4 4 GLU HB3 H 1 1.811 0.004 . 2 . . . . 4 GLU HB3 . 11006 1 23 . 1 1 4 4 GLU HG2 H 1 2.285 0.002 . 2 . . . . 4 GLU HG2 . 11006 1 24 . 1 1 4 4 GLU HG3 H 1 2.237 0.003 . 2 . . . . 4 GLU HG3 . 11006 1 25 . 1 1 5 5 CYS H H 1 8.695 0.001 . 1 . . . . 5 CYS H . 11006 1 26 . 1 1 5 5 CYS HA H 1 4.247 0.005 . 1 . . . . 5 CYS HA . 11006 1 27 . 1 1 5 5 CYS HB2 H 1 3.133 0.002 . 2 . . . . 5 CYS HB2 . 11006 1 28 . 1 1 5 5 CYS HB3 H 1 2.852 0.003 . 2 . . . . 5 CYS HB3 . 11006 1 29 . 1 1 6 6 ILE H H 1 7.817 0.002 . 1 . . . . 6 ILE H . 11006 1 30 . 1 1 6 6 ILE HA H 1 3.84 0.002 . 1 . . . . 6 ILE HA . 11006 1 31 . 1 1 6 6 ILE HB H 1 1.786 0.002 . 1 . . . . 6 ILE HB . 11006 1 32 . 1 1 6 6 ILE HG12 H 1 1.401 0.003 . 2 . . . . 6 ILE HG12 . 11006 1 33 . 1 1 6 6 ILE HG13 H 1 1.183 0.002 . 2 . . . . 6 ILE HG13 . 11006 1 34 . 1 1 6 6 ILE HG21 H 1 0.823 0.002 . 1 . . . . 6 ILE HG2 . 11006 1 35 . 1 1 6 6 ILE HG22 H 1 0.823 0.002 . 1 . . . . 6 ILE HG2 . 11006 1 36 . 1 1 6 6 ILE HG23 H 1 0.823 0.002 . 1 . . . . 6 ILE HG2 . 11006 1 37 . 1 1 6 6 ILE HD11 H 1 0.787 0 . 1 . . . . 6 ILE HD1 . 11006 1 38 . 1 1 6 6 ILE HD12 H 1 0.787 0 . 1 . . . . 6 ILE HD1 . 11006 1 39 . 1 1 6 6 ILE HD13 H 1 0.787 0 . 1 . . . . 6 ILE HD1 . 11006 1 40 . 1 1 7 7 SER H H 1 7.537 0.003 . 1 . . . . 7 SER H . 11006 1 41 . 1 1 7 7 SER HA H 1 4.312 0.002 . 1 . . . . 7 SER HA . 11006 1 42 . 1 1 7 7 SER HB2 H 1 3.663 0.002 . 1 . . . . 7 SER HB2 . 11006 1 43 . 1 1 7 7 SER HB3 H 1 3.663 0.002 . 1 . . . . 7 SER HB3 . 11006 1 44 . 1 1 8 8 ASN H H 1 7.978 0.001 . 1 . . . . 8 ASN H . 11006 1 45 . 1 1 8 8 ASN HA H 1 4.584 0.002 . 1 . . . . 8 ASN HA . 11006 1 46 . 1 1 8 8 ASN HB2 H 1 2.851 0.038 . 2 . . . . 8 ASN HB2 . 11006 1 47 . 1 1 8 8 ASN HB3 H 1 2.715 0.003 . 2 . . . . 8 ASN HB3 . 11006 1 48 . 1 1 8 8 ASN HD21 H 1 6.553 0.002 . 2 . . . . 8 ASN HD21 . 11006 1 49 . 1 1 8 8 ASN HD22 H 1 7.338 0.003 . 2 . . . . 8 ASN HD22 . 11006 1 50 . 1 1 9 9 PRO HA H 1 4.298 0.003 . 1 . . . . 9 PRO HA . 11006 1 51 . 1 1 9 9 PRO HB2 H 1 1.732 0.003 . 2 . . . . 9 PRO HB2 . 11006 1 52 . 1 1 9 9 PRO HB3 H 1 1.585 0.002 . 2 . . . . 9 PRO HB3 . 11006 1 53 . 1 1 9 9 PRO HG2 H 1 1.489 0.004 . 2 . . . . 9 PRO HG2 . 11006 1 54 . 1 1 9 9 PRO HG3 H 1 1.157 0.003 . 2 . . . . 9 PRO HG3 . 11006 1 55 . 1 1 9 9 PRO HD2 H 1 3.636 0.005 . 2 . . . . 9 PRO HD2 . 11006 1 56 . 1 1 9 9 PRO HD3 H 1 3.544 0.002 . 2 . . . . 9 PRO HD3 . 11006 1 57 . 1 1 10 10 CYS H H 1 8.042 0.002 . 1 . . . . 10 CYS H . 11006 1 58 . 1 1 10 10 CYS HA H 1 4.54 0.003 . 1 . . . . 10 CYS HA . 11006 1 59 . 1 1 10 10 CYS HB2 H 1 2.724 0.002 . 2 . . . . 10 CYS HB2 . 11006 1 60 . 1 1 10 10 CYS HB3 H 1 2.562 0.004 . 2 . . . . 10 CYS HB3 . 11006 1 61 . 1 1 11 11 GLN H H 1 8.811 0.003 . 1 . . . . 11 GLN H . 11006 1 62 . 1 1 11 11 GLN HA H 1 4.276 0.002 . 1 . . . . 11 GLN HA . 11006 1 63 . 1 1 11 11 GLN HB2 H 1 2.035 0.003 . 2 . . . . 11 GLN HB2 . 11006 1 64 . 1 1 11 11 GLN HB3 H 1 1.583 0.003 . 2 . . . . 11 GLN HB3 . 11006 1 65 . 1 1 11 11 GLN HG2 H 1 2.277 0.001 . 1 . . . . 11 GLN HG2 . 11006 1 66 . 1 1 11 11 GLN HG3 H 1 2.277 0.001 . 1 . . . . 11 GLN HG3 . 11006 1 67 . 1 1 11 11 GLN HE21 H 1 6.701 0.001 . 2 . . . . 11 GLN HE21 . 11006 1 68 . 1 1 11 11 GLN HE22 H 1 7.017 0.001 . 2 . . . . 11 GLN HE22 . 11006 1 69 . 1 1 12 12 ASN H H 1 8.774 0.002 . 1 . . . . 12 ASN H . 11006 1 70 . 1 1 12 12 ASN HA H 1 3.922 0.001 . 1 . . . . 12 ASN HA . 11006 1 71 . 1 1 12 12 ASN HB2 H 1 2.036 0.002 . 2 . . . . 12 ASN HB2 . 11006 1 72 . 1 1 12 12 ASN HB3 H 1 1.33 0.002 . 2 . . . . 12 ASN HB3 . 11006 1 73 . 1 1 12 12 ASN HD21 H 1 7.27 0.001 . 2 . . . . 12 ASN HD21 . 11006 1 74 . 1 1 12 12 ASN HD22 H 1 8.207 0.001 . 2 . . . . 12 ASN HD22 . 11006 1 75 . 1 1 13 13 ASP H H 1 8.574 0.002 . 1 . . . . 13 ASP H . 11006 1 76 . 1 1 13 13 ASP HA H 1 4.009 0.002 . 1 . . . . 13 ASP HA . 11006 1 77 . 1 1 13 13 ASP HB2 H 1 2.93 0.003 . 2 . . . . 13 ASP HB2 . 11006 1 78 . 1 1 13 13 ASP HB3 H 1 2.729 0.002 . 2 . . . . 13 ASP HB3 . 11006 1 79 . 1 1 14 14 ALA H H 1 6.655 0.002 . 1 . . . . 14 ALA H . 11006 1 80 . 1 1 14 14 ALA HA H 1 4.256 0.001 . 1 . . . . 14 ALA HA . 11006 1 81 . 1 1 14 14 ALA HB1 H 1 1.291 0.003 . 1 . . . . 14 ALA HB . 11006 1 82 . 1 1 14 14 ALA HB2 H 1 1.291 0.003 . 1 . . . . 14 ALA HB . 11006 1 83 . 1 1 14 14 ALA HB3 H 1 1.291 0.003 . 1 . . . . 14 ALA HB . 11006 1 84 . 1 1 15 15 THR H H 1 8.422 0.002 . 1 . . . . 15 THR H . 11006 1 85 . 1 1 15 15 THR HA H 1 4.353 0.002 . 1 . . . . 15 THR HA . 11006 1 86 . 1 1 15 15 THR HB H 1 3.818 0.003 . 1 . . . . 15 THR HB . 11006 1 87 . 1 1 15 15 THR HG21 H 1 1.026 0.002 . 1 . . . . 15 THR HG2 . 11006 1 88 . 1 1 15 15 THR HG22 H 1 1.026 0.002 . 1 . . . . 15 THR HG2 . 11006 1 89 . 1 1 15 15 THR HG23 H 1 1.026 0.002 . 1 . . . . 15 THR HG2 . 11006 1 90 . 1 1 16 16 CYS H H 1 8.986 0.003 . 1 . . . . 16 CYS H . 11006 1 91 . 1 1 16 16 CYS HA H 1 5.178 0.005 . 1 . . . . 16 CYS HA . 11006 1 92 . 1 1 16 16 CYS HB2 H 1 3.032 0.004 . 2 . . . . 16 CYS HB2 . 11006 1 93 . 1 1 16 16 CYS HB3 H 1 2.835 0.002 . 2 . . . . 16 CYS HB3 . 11006 1 94 . 1 1 17 17 LEU H H 1 9.324 0.005 . 1 . . . . 17 LEU H . 11006 1 95 . 1 1 17 17 LEU HA H 1 4.67 0.002 . 1 . . . . 17 LEU HA . 11006 1 96 . 1 1 17 17 LEU HB2 H 1 1.507 0.003 . 1 . . . . 17 LEU HB2 . 11006 1 97 . 1 1 17 17 LEU HB3 H 1 1.507 0.003 . 1 . . . . 17 LEU HB3 . 11006 1 98 . 1 1 17 17 LEU HG H 1 1.413 0.004 . 1 . . . . 17 LEU HG . 11006 1 99 . 1 1 17 17 LEU HD11 H 1 0.792 0.001 . 2 . . . . 17 LEU HD1 . 11006 1 100 . 1 1 17 17 LEU HD12 H 1 0.792 0.001 . 2 . . . . 17 LEU HD1 . 11006 1 101 . 1 1 17 17 LEU HD13 H 1 0.792 0.001 . 2 . . . . 17 LEU HD1 . 11006 1 102 . 1 1 17 17 LEU HD21 H 1 0.754 0.001 . 2 . . . . 17 LEU HD2 . 11006 1 103 . 1 1 17 17 LEU HD22 H 1 0.754 0.001 . 2 . . . . 17 LEU HD2 . 11006 1 104 . 1 1 17 17 LEU HD23 H 1 0.754 0.001 . 2 . . . . 17 LEU HD2 . 11006 1 105 . 1 1 18 18 ASP H H 1 8.522 0.002 . 1 . . . . 18 ASP H . 11006 1 106 . 1 1 18 18 ASP HA H 1 4.763 0.001 . 1 . . . . 18 ASP HA . 11006 1 107 . 1 1 18 18 ASP HB2 H 1 2.673 0.003 . 2 . . . . 18 ASP HB2 . 11006 1 108 . 1 1 18 18 ASP HB3 H 1 2.537 0.004 . 2 . . . . 18 ASP HB3 . 11006 1 109 . 1 1 19 19 GLN H H 1 8.256 0.002 . 1 . . . . 19 GLN H . 11006 1 110 . 1 1 19 19 GLN HA H 1 4.494 0 . 1 . . . . 19 GLN HA . 11006 1 111 . 1 1 19 19 GLN HB2 H 1 1.746 0.003 . 1 . . . . 19 GLN HB2 . 11006 1 112 . 1 1 19 19 GLN HB3 H 1 1.746 0.003 . 1 . . . . 19 GLN HB3 . 11006 1 113 . 1 1 19 19 GLN HG2 H 1 2.159 0.003 . 2 . . . . 19 GLN HG2 . 11006 1 114 . 1 1 19 19 GLN HG3 H 1 2.025 0.003 . 2 . . . . 19 GLN HG3 . 11006 1 115 . 1 1 19 19 GLN HE21 H 1 6.674 0.001 . 2 . . . . 19 GLN HE21 . 11006 1 116 . 1 1 19 19 GLN HE22 H 1 7.214 0.003 . 2 . . . . 19 GLN HE22 . 11006 1 117 . 1 1 20 20 ILE H H 1 8.449 0.002 . 1 . . . . 20 ILE H . 11006 1 118 . 1 1 20 20 ILE HA H 1 3.819 0.002 . 1 . . . . 20 ILE HA . 11006 1 119 . 1 1 20 20 ILE HB H 1 2.032 0.003 . 1 . . . . 20 ILE HB . 11006 1 120 . 1 1 20 20 ILE HG12 H 1 1.379 0.003 . 2 . . . . 20 ILE HG12 . 11006 1 121 . 1 1 20 20 ILE HG13 H 1 1.011 0.003 . 2 . . . . 20 ILE HG13 . 11006 1 122 . 1 1 20 20 ILE HG21 H 1 0.809 0.003 . 1 . . . . 20 ILE HG2 . 11006 1 123 . 1 1 20 20 ILE HG22 H 1 0.809 0.003 . 1 . . . . 20 ILE HG2 . 11006 1 124 . 1 1 20 20 ILE HG23 H 1 0.809 0.003 . 1 . . . . 20 ILE HG2 . 11006 1 125 . 1 1 20 20 ILE HD11 H 1 0.752 0.003 . 1 . . . . 20 ILE HD1 . 11006 1 126 . 1 1 20 20 ILE HD12 H 1 0.752 0.003 . 1 . . . . 20 ILE HD1 . 11006 1 127 . 1 1 20 20 ILE HD13 H 1 0.752 0.003 . 1 . . . . 20 ILE HD1 . 11006 1 128 . 1 1 21 21 GLY H H 1 8.527 0.001 . 1 . . . . 21 GLY H . 11006 1 129 . 1 1 21 21 GLY HA2 H 1 4.05 0.003 . 2 . . . . 21 GLY HA2 . 11006 1 130 . 1 1 21 21 GLY HA3 H 1 3.659 0.001 . 2 . . . . 21 GLY HA3 . 11006 1 131 . 1 1 22 22 GLU H H 1 7.536 0.004 . 1 . . . . 22 GLU H . 11006 1 132 . 1 1 22 22 GLU HA H 1 4.528 0.008 . 1 . . . . 22 GLU HA . 11006 1 133 . 1 1 22 22 GLU HB2 H 1 2.124 0.001 . 2 . . . . 22 GLU HB2 . 11006 1 134 . 1 1 22 22 GLU HB3 H 1 1.976 0.005 . 2 . . . . 22 GLU HB3 . 11006 1 135 . 1 1 22 22 GLU HG2 H 1 1.773 0.006 . 1 . . . . 22 GLU HG2 . 11006 1 136 . 1 1 22 22 GLU HG3 H 1 1.773 0.006 . 1 . . . . 22 GLU HG3 . 11006 1 137 . 1 1 23 23 PHE H H 1 7.85 0.002 . 1 . . . . 23 PHE H . 11006 1 138 . 1 1 23 23 PHE HA H 1 5.225 0.002 . 1 . . . . 23 PHE HA . 11006 1 139 . 1 1 23 23 PHE HB2 H 1 3.018 0.002 . 2 . . . . 23 PHE HB2 . 11006 1 140 . 1 1 23 23 PHE HB3 H 1 2.868 0.034 . 2 . . . . 23 PHE HB3 . 11006 1 141 . 1 1 23 23 PHE HD1 H 1 7.152 0.003 . 1 . . . . 23 PHE HD1 . 11006 1 142 . 1 1 23 23 PHE HD2 H 1 7.152 0.003 . 1 . . . . 23 PHE HD2 . 11006 1 143 . 1 1 23 23 PHE HE1 H 1 6.998 0.003 . 1 . . . . 23 PHE HE1 . 11006 1 144 . 1 1 23 23 PHE HE2 H 1 6.998 0.003 . 1 . . . . 23 PHE HE2 . 11006 1 145 . 1 1 23 23 PHE HZ H 1 7.097 0.003 . 1 . . . . 23 PHE HZ . 11006 1 146 . 1 1 24 24 GLN H H 1 8.696 0.002 . 1 . . . . 24 GLN H . 11006 1 147 . 1 1 24 24 GLN HA H 1 4.289 0.003 . 1 . . . . 24 GLN HA . 11006 1 148 . 1 1 24 24 GLN HB2 H 1 1.87 0.003 . 2 . . . . 24 GLN HB2 . 11006 1 149 . 1 1 24 24 GLN HB3 H 1 1.795 0.001 . 2 . . . . 24 GLN HB3 . 11006 1 150 . 1 1 24 24 GLN HG2 H 1 2.094 0.003 . 1 . . . . 24 GLN HG2 . 11006 1 151 . 1 1 24 24 GLN HG3 H 1 2.094 0.003 . 1 . . . . 24 GLN HG3 . 11006 1 152 . 1 1 24 24 GLN HE21 H 1 6.568 0.002 . 2 . . . . 24 GLN HE21 . 11006 1 153 . 1 1 24 24 GLN HE22 H 1 7.279 0.001 . 2 . . . . 24 GLN HE22 . 11006 1 154 . 1 1 25 25 CYS H H 1 8.961 0.003 . 1 . . . . 25 CYS H . 11006 1 155 . 1 1 25 25 CYS HA H 1 5.387 0.003 . 1 . . . . 25 CYS HA . 11006 1 156 . 1 1 25 25 CYS HB2 H 1 2.98 0.002 . 2 . . . . 25 CYS HB2 . 11006 1 157 . 1 1 25 25 CYS HB3 H 1 2.58 0.002 . 2 . . . . 25 CYS HB3 . 11006 1 158 . 1 1 26 26 ILE H H 1 9.514 0.003 . 1 . . . . 26 ILE H . 11006 1 159 . 1 1 26 26 ILE HA H 1 4.163 0.003 . 1 . . . . 26 ILE HA . 11006 1 160 . 1 1 26 26 ILE HB H 1 1.862 0.003 . 1 . . . . 26 ILE HB . 11006 1 161 . 1 1 26 26 ILE HG12 H 1 1.327 0.003 . 2 . . . . 26 ILE HG12 . 11006 1 162 . 1 1 26 26 ILE HG13 H 1 1.163 0.003 . 2 . . . . 26 ILE HG13 . 11006 1 163 . 1 1 26 26 ILE HG21 H 1 0.832 0.003 . 1 . . . . 26 ILE HG2 . 11006 1 164 . 1 1 26 26 ILE HG22 H 1 0.832 0.003 . 1 . . . . 26 ILE HG2 . 11006 1 165 . 1 1 26 26 ILE HG23 H 1 0.832 0.003 . 1 . . . . 26 ILE HG2 . 11006 1 166 . 1 1 26 26 ILE HD11 H 1 0.658 0.002 . 1 . . . . 26 ILE HD1 . 11006 1 167 . 1 1 26 26 ILE HD12 H 1 0.658 0.002 . 1 . . . . 26 ILE HD1 . 11006 1 168 . 1 1 26 26 ILE HD13 H 1 0.658 0.002 . 1 . . . . 26 ILE HD1 . 11006 1 169 . 1 1 27 27 CYS H H 1 8.366 0.001 . 1 . . . . 27 CYS H . 11006 1 170 . 1 1 27 27 CYS HA H 1 4.659 0.001 . 1 . . . . 27 CYS HA . 11006 1 171 . 1 1 27 27 CYS HB2 H 1 3.346 0.002 . 2 . . . . 27 CYS HB2 . 11006 1 172 . 1 1 27 27 CYS HB3 H 1 2.505 0.003 . 2 . . . . 27 CYS HB3 . 11006 1 173 . 1 1 28 28 MET H H 1 8.575 0.002 . 1 . . . . 28 MET H . 11006 1 174 . 1 1 28 28 MET HA H 1 4.533 0.042 . 1 . . . . 28 MET HA . 11006 1 175 . 1 1 28 28 MET HB2 H 1 1.923 0.002 . 2 . . . . 28 MET HB2 . 11006 1 176 . 1 1 28 28 MET HB3 H 1 2.204 0.002 . 2 . . . . 28 MET HB3 . 11006 1 177 . 1 1 28 28 MET HG2 H 1 2.69 0.003 . 2 . . . . 28 MET HG2 . 11006 1 178 . 1 1 28 28 MET HG3 H 1 2.346 0.003 . 2 . . . . 28 MET HG3 . 11006 1 179 . 1 1 28 28 MET HE1 H 1 2.121 0.004 . 1 . . . . 28 MET HE . 11006 1 180 . 1 1 28 28 MET HE2 H 1 2.121 0.004 . 1 . . . . 28 MET HE . 11006 1 181 . 1 1 28 28 MET HE3 H 1 2.121 0.004 . 1 . . . . 28 MET HE . 11006 1 182 . 1 1 29 29 PRO HA H 1 4.262 0.002 . 1 . . . . 29 PRO HA . 11006 1 183 . 1 1 29 29 PRO HB2 H 1 2.232 0.002 . 2 . . . . 29 PRO HB2 . 11006 1 184 . 1 1 29 29 PRO HB3 H 1 2.088 0.001 . 2 . . . . 29 PRO HB3 . 11006 1 185 . 1 1 29 29 PRO HG2 H 1 1.981 0.001 . 2 . . . . 29 PRO HG2 . 11006 1 186 . 1 1 29 29 PRO HG3 H 1 1.77 0.002 . 2 . . . . 29 PRO HG3 . 11006 1 187 . 1 1 29 29 PRO HD2 H 1 3.908 0.003 . 2 . . . . 29 PRO HD2 . 11006 1 188 . 1 1 29 29 PRO HD3 H 1 3.594 0.003 . 2 . . . . 29 PRO HD3 . 11006 1 189 . 1 1 30 30 GLY H H 1 8.527 0.002 . 1 . . . . 30 GLY H . 11006 1 190 . 1 1 30 30 GLY HA2 H 1 3.982 0.003 . 2 . . . . 30 GLY HA2 . 11006 1 191 . 1 1 30 30 GLY HA3 H 1 3.371 0.009 . 2 . . . . 30 GLY HA3 . 11006 1 192 . 1 1 31 31 TYR H H 1 7.608 0.002 . 1 . . . . 31 TYR H . 11006 1 193 . 1 1 31 31 TYR HA H 1 5.064 0.003 . 1 . . . . 31 TYR HA . 11006 1 194 . 1 1 31 31 TYR HB2 H 1 2.837 0.002 . 2 . . . . 31 TYR HB2 . 11006 1 195 . 1 1 31 31 TYR HB3 H 1 2.792 0.003 . 2 . . . . 31 TYR HB3 . 11006 1 196 . 1 1 31 31 TYR HD1 H 1 6.837 0.002 . 1 . . . . 31 TYR HD1 . 11006 1 197 . 1 1 31 31 TYR HD2 H 1 6.837 0.002 . 1 . . . . 31 TYR HD2 . 11006 1 198 . 1 1 31 31 TYR HE1 H 1 6.609 0.003 . 1 . . . . 31 TYR HE1 . 11006 1 199 . 1 1 31 31 TYR HE2 H 1 6.609 0.003 . 1 . . . . 31 TYR HE2 . 11006 1 200 . 1 1 32 32 GLU H H 1 9.035 0.003 . 1 . . . . 32 GLU H . 11006 1 201 . 1 1 32 32 GLU HA H 1 4.811 0.002 . 1 . . . . 32 GLU HA . 11006 1 202 . 1 1 32 32 GLU HB2 H 1 2.102 0.006 . 2 . . . . 32 GLU HB2 . 11006 1 203 . 1 1 32 32 GLU HB3 H 1 2.057 0.007 . 2 . . . . 32 GLU HB3 . 11006 1 204 . 1 1 32 32 GLU HG2 H 1 1.877 0.003 . 1 . . . . 32 GLU HG2 . 11006 1 205 . 1 1 32 32 GLU HG3 H 1 1.877 0.003 . 1 . . . . 32 GLU HG3 . 11006 1 206 . 1 1 33 33 GLY H H 1 8.094 0.053 . 1 . . . . 33 GLY H . 11006 1 207 . 1 1 33 33 GLY HA2 H 1 4.846 0.004 . 2 . . . . 33 GLY HA2 . 11006 1 208 . 1 1 33 33 GLY HA3 H 1 3.741 0.002 . 2 . . . . 33 GLY HA3 . 11006 1 209 . 1 1 34 34 VAL H H 1 9.384 0.001 . 1 . . . . 34 VAL H . 11006 1 210 . 1 1 34 34 VAL HA H 1 3.423 0.002 . 1 . . . . 34 VAL HA . 11006 1 211 . 1 1 34 34 VAL HB H 1 1.525 0.002 . 1 . . . . 34 VAL HB . 11006 1 212 . 1 1 34 34 VAL HG11 H 1 0.241 0.002 . 2 . . . . 34 VAL HG1 . 11006 1 213 . 1 1 34 34 VAL HG12 H 1 0.241 0.002 . 2 . . . . 34 VAL HG1 . 11006 1 214 . 1 1 34 34 VAL HG13 H 1 0.241 0.002 . 2 . . . . 34 VAL HG1 . 11006 1 215 . 1 1 34 34 VAL HG21 H 1 0.794 0.001 . 2 . . . . 34 VAL HG2 . 11006 1 216 . 1 1 34 34 VAL HG22 H 1 0.794 0.001 . 2 . . . . 34 VAL HG2 . 11006 1 217 . 1 1 34 34 VAL HG23 H 1 0.794 0.001 . 2 . . . . 34 VAL HG2 . 11006 1 218 . 1 1 35 35 TYR H H 1 8.462 0.002 . 1 . . . . 35 TYR H . 11006 1 219 . 1 1 35 35 TYR HA H 1 5.226 0.003 . 1 . . . . 35 TYR HA . 11006 1 220 . 1 1 35 35 TYR HB2 H 1 3.645 0.003 . 2 . . . . 35 TYR HB2 . 11006 1 221 . 1 1 35 35 TYR HB3 H 1 2.649 0.002 . 2 . . . . 35 TYR HB3 . 11006 1 222 . 1 1 35 35 TYR HD1 H 1 6.9 0.002 . 1 . . . . 35 TYR HD1 . 11006 1 223 . 1 1 35 35 TYR HD2 H 1 6.9 0.002 . 1 . . . . 35 TYR HD2 . 11006 1 224 . 1 1 35 35 TYR HE1 H 1 6.68 0.004 . 1 . . . . 35 TYR HE1 . 11006 1 225 . 1 1 35 35 TYR HE2 H 1 6.68 0.004 . 1 . . . . 35 TYR HE2 . 11006 1 226 . 1 1 36 36 CYS H H 1 7.873 0.039 . 1 . . . . 36 CYS H . 11006 1 227 . 1 1 36 36 CYS HA H 1 3.861 0.002 . 1 . . . . 36 CYS HA . 11006 1 228 . 1 1 36 36 CYS HB2 H 1 3.215 0.002 . 2 . . . . 36 CYS HB2 . 11006 1 229 . 1 1 36 36 CYS HB3 H 1 2.888 0.001 . 2 . . . . 36 CYS HB3 . 11006 1 230 . 1 1 37 37 GLU HA H 1 3.968 0.002 . 1 . . . . 37 GLU HA . 11006 1 231 . 1 1 37 37 GLU HB2 H 1 2.104 0.002 . 2 . . . . 37 GLU HB2 . 11006 1 232 . 1 1 37 37 GLU HB3 H 1 1.791 0.002 . 2 . . . . 37 GLU HB3 . 11006 1 233 . 1 1 37 37 GLU HG2 H 1 2.527 0.002 . 2 . . . . 37 GLU HG2 . 11006 1 234 . 1 1 37 37 GLU HG3 H 1 2.199 0.003 . 2 . . . . 37 GLU HG3 . 11006 1 235 . 1 1 38 38 ILE_NH2 H H 1 8.821 0.005 . 1 . . . . 38 ILE_NH2 H . 11006 1 236 . 1 1 38 38 ILE_NH2 HA H 1 4.143 0.002 . 1 . . . . 38 ILE_NH2 HA . 11006 1 237 . 1 1 38 38 ILE_NH2 HB H 1 1.575 0.003 . 1 . . . . 38 ILE_NH2 HB . 11006 1 238 . 1 1 38 38 ILE_NH2 HG12 H 1 1.439 0.002 . 1 . . . . 38 ILE_NH2 HG12 . 11006 1 239 . 1 1 38 38 ILE_NH2 HG13 H 1 1.439 0.002 . 1 . . . . 38 ILE_NH2 HG13 . 11006 1 240 . 1 1 38 38 ILE_NH2 HG21 H 1 0.955 0.002 . 1 . . . . 38 ILE_NH2 HG2 . 11006 1 241 . 1 1 38 38 ILE_NH2 HG22 H 1 0.955 0.002 . 1 . . . . 38 ILE_NH2 HG2 . 11006 1 242 . 1 1 38 38 ILE_NH2 HG23 H 1 0.955 0.002 . 1 . . . . 38 ILE_NH2 HG2 . 11006 1 243 . 1 1 38 38 ILE_NH2 HD11 H 1 0.79 0.006 . 1 . . . . 38 ILE_NH2 HD1 . 11006 1 244 . 1 1 38 38 ILE_NH2 HD12 H 1 0.79 0.006 . 1 . . . . 38 ILE_NH2 HD1 . 11006 1 245 . 1 1 38 38 ILE_NH2 HD13 H 1 0.79 0.006 . 1 . . . . 38 ILE_NH2 HD1 . 11006 1 246 . 1 1 38 38 ILE_NH2 HT1 H 1 7.152 0.001 . 2 . . . . 38 ILE_NH2 HT . 11006 1 247 . 1 1 38 38 ILE_NH2 HT2 H 1 7.733 0.002 . 2 . . . . 38 ILE_NH2 HT . 11006 1 248 . 2 2 1 1 FUC H1 H 1 4.825 0.002 . 1 . . . . 1 FUC H1 . 11006 1 249 . 2 2 1 1 FUC H2 H 1 3.753 0.002 . 1 . . . . 1 FUC H2 . 11006 1 250 . 2 2 1 1 FUC H3 H 1 3.826 0.003 . 1 . . . . 1 FUC H3 . 11006 1 251 . 2 2 1 1 FUC H4 H 1 3.923 0.002 . 1 . . . . 1 FUC H4 . 11006 1 252 . 2 2 1 1 FUC H5 H 1 4.144 0.003 . 1 . . . . 1 FUC H5 . 11006 1 253 . 2 2 1 1 FUC H6 H 1 1.033 0.002 . 1 . . . . 1 FUC H6 . 11006 1 254 . 2 2 2 2 NAG H1 H 1 4.565 0.002 . 1 . . . . 2 NAG H1 . 11006 1 255 . 2 2 2 2 NAG H2 H 1 3.632 0.004 . 1 . . . . 2 NAG H2 . 11006 1 256 . 2 2 2 2 NAG H3 H 1 3.47 0.002 . 1 . . . . 2 NAG H3 . 11006 1 257 . 2 2 2 2 NAG H4 H 1 3.31 0.002 . 1 . . . . 2 NAG H4 . 11006 1 258 . 2 2 2 2 NAG H5 H 1 3.806 0.002 . 1 . . . . 2 NAG H5 . 11006 1 259 . 2 2 2 2 NAG H61 H 1 3.805 0 . 2 . . . . 2 NAG H61 . 11006 1 260 . 2 2 2 2 NAG H62 H 1 3.614 0.003 . 2 . . . . 2 NAG H62 . 11006 1 261 . 2 2 2 2 NAG H8 H 1 1.984 0.001 . 1 . . . . 2 NAG H8 . 11006 1 262 . 2 2 2 2 NAG NH2 H 1 8.189 0.003 . 1 . . . . 2 NAG NH2 . 11006 1 stop_ save_