################################### # 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 27985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 ; PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: 0.05ppm CA: -0.24ppm CB: 0.08ppm N: 0.20ppm. ; _Assigned_chem_shift_list.Details ; Number of assignments: 398 Number of deviant assignments: 0 Number of suspicious assignments after ref-calibration when necessary: 4 Q8 H: 11.889 F17 H: 5.860 K20 H: 11.425 V58 H: 5.738 Description for high ppm values for protons from Q8 and K20: Strong deshielding of the NH nucleus is caused by a downfield ring current shift due to the fact that the NH proton lies directly in the plane of the imidazole ring, possibly supplemented by an electric field effect from the polarizable imidazole ring. These two interactions may play an important role in stabilizing parts of the structure. Description For very low ppm values for protons from F17 and V58: These are also the characteristic peaks of CXCL8 molecule, and these are also reported the human CXCL8 strcture. Reference: Clore, G.M., Appella, E., Yamada, M., Matsushima, K. & Gronenborn, A.M. (1990) The three-dimensional structure of interleukin-8 in solution. Biochemistry 29, 1689-1696. ; _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' . . . 27985 1 2 '3D HNCA' . . . 27985 1 3 '3D HNCACB' . . . 27985 1 4 '3D CBCA(CO)NH' . . . 27985 1 5 '3D HNCO' . . . 27985 1 6 '3D 1H-15N TOCSY' . . . 27985 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 1 $CARA . . 27985 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 VAL HA H 1 4.10 0.020 . 1 . . . . . 1 VAL HA . 27985 1 2 . 1 . 1 1 1 VAL C C 13 176.46 0.3 . 1 . . . . . 1 VAL C . 27985 1 3 . 1 . 1 2 2 SER H H 1 8.467 0.020 . 1 . . . . . 2 SER H . 27985 1 4 . 1 . 1 2 2 SER HA H 1 4.36 0.020 . 1 . . . . . 2 SER HA . 27985 1 5 . 1 . 1 2 2 SER C C 13 174.89 0.3 . 1 . . . . . 2 SER C . 27985 1 6 . 1 . 1 2 2 SER CA C 13 58.650 0.3 . 1 . . . . . 2 SER CA . 27985 1 7 . 1 . 1 2 2 SER CB C 13 64.163 0.3 . 1 . . . . . 2 SER CB . 27985 1 8 . 1 . 1 2 2 SER N N 15 119.152 0.3 . 1 . . . . . 2 SER N . 27985 1 9 . 1 . 1 3 3 SER H H 1 8.312 0.020 . 1 . . . . . 3 SER H . 27985 1 10 . 1 . 1 3 3 SER HA H 1 4.29 0.020 . 1 . . . . . 3 SER HA . 27985 1 11 . 1 . 1 3 3 SER C C 13 174.46 0.3 . 1 . . . . . 3 SER C . 27985 1 12 . 1 . 1 3 3 SER CA C 13 58.882 0.3 . 1 . . . . . 3 SER CA . 27985 1 13 . 1 . 1 3 3 SER CB C 13 63.672 0.3 . 1 . . . . . 3 SER CB . 27985 1 14 . 1 . 1 3 3 SER N N 15 117.942 0.3 . 1 . . . . . 3 SER N . 27985 1 15 . 1 . 1 4 4 GLU H H 1 8.342 0.020 . 1 . . . . . 4 GLU H . 27985 1 16 . 1 . 1 4 4 GLU HA H 1 4.17 0.020 . 1 . . . . . 4 GLU HA . 27985 1 17 . 1 . 1 4 4 GLU C C 13 176.23 0.3 . 1 . . . . . 4 GLU C . 27985 1 18 . 1 . 1 4 4 GLU CA C 13 56.705 0.3 . 1 . . . . . 4 GLU CA . 27985 1 19 . 1 . 1 4 4 GLU CB C 13 29.955 0.3 . 1 . . . . . 4 GLU CB . 27985 1 20 . 1 . 1 4 4 GLU N N 15 121.882 0.3 . 1 . . . . . 4 GLU N . 27985 1 21 . 1 . 1 5 5 LEU H H 1 8.070 0.020 . 1 . . . . . 5 LEU H . 27985 1 22 . 1 . 1 5 5 LEU HA H 1 4.26 0.020 . 1 . . . . . 5 LEU HA . 27985 1 23 . 1 . 1 5 5 LEU C C 13 175.87 0.3 . 1 . . . . . 5 LEU C . 27985 1 24 . 1 . 1 5 5 LEU CA C 13 54.893 0.3 . 1 . . . . . 5 LEU CA . 27985 1 25 . 1 . 1 5 5 LEU CB C 13 41.791 0.3 . 1 . . . . . 5 LEU CB . 27985 1 26 . 1 . 1 5 5 LEU N N 15 122.755 0.3 . 1 . . . . . 5 LEU N . 27985 1 27 . 1 . 1 6 6 ARG H H 1 8.069 0.020 . 1 . . . . . 6 ARG H . 27985 1 28 . 1 . 1 6 6 ARG HA H 1 4.89 0.020 . 1 . . . . . 6 ARG HA . 27985 1 29 . 1 . 1 6 6 ARG C C 13 176.03 0.3 . 1 . . . . . 6 ARG C . 27985 1 30 . 1 . 1 6 6 ARG CA C 13 54.964 0.3 . 1 . . . . . 6 ARG CA . 27985 1 31 . 1 . 1 6 6 ARG CB C 13 31.671 0.3 . 1 . . . . . 6 ARG CB . 27985 1 32 . 1 . 1 6 6 ARG N N 15 120.676 0.3 . 1 . . . . . 6 ARG N . 27985 1 33 . 1 . 1 7 7 CYS H H 1 8.127 0.020 . 1 . . . . . 7 CYS H . 27985 1 34 . 1 . 1 7 7 CYS HA H 1 4.52 0.020 . 1 . . . . . 7 CYS HA . 27985 1 35 . 1 . 1 7 7 CYS C C 13 175.57 0.3 . 1 . . . . . 7 CYS C . 27985 1 36 . 1 . 1 7 7 CYS CA C 13 62.881 0.3 . 1 . . . . . 7 CYS CA . 27985 1 37 . 1 . 1 7 7 CYS CB C 13 39.767 0.3 . 1 . . . . . 7 CYS CB . 27985 1 38 . 1 . 1 7 7 CYS N N 15 119.060 0.3 . 1 . . . . . 7 CYS N . 27985 1 39 . 1 . 1 8 8 GLN H H 1 11.889 0.020 . 1 . . . . . 8 GLN H . 27985 1 40 . 1 . 1 8 8 GLN C C 13 177.90 0.3 . 1 . . . . . 8 GLN C . 27985 1 41 . 1 . 1 8 8 GLN CA C 13 57.080 0.3 . 1 . . . . . 8 GLN CA . 27985 1 42 . 1 . 1 8 8 GLN N N 15 126.159 0.3 . 1 . . . . . 8 GLN N . 27985 1 43 . 1 . 1 9 9 CYS H H 1 9.641 0.020 . 1 . . . . . 9 CYS H . 27985 1 44 . 1 . 1 9 9 CYS HA H 1 3.26 0.020 . 1 . . . . . 9 CYS HA . 27985 1 45 . 1 . 1 9 9 CYS C C 13 173.70 0.3 . 1 . . . . . 9 CYS C . 27985 1 46 . 1 . 1 9 9 CYS CA C 13 54.940 0.3 . 1 . . . . . 9 CYS CA . 27985 1 47 . 1 . 1 9 9 CYS CB C 13 43.076 0.3 . 1 . . . . . 9 CYS CB . 27985 1 48 . 1 . 1 9 9 CYS N N 15 121.023 0.3 . 1 . . . . . 9 CYS N . 27985 1 49 . 1 . 1 10 10 ILE H H 1 8.578 0.020 . 1 . . . . . 10 ILE H . 27985 1 50 . 1 . 1 10 10 ILE HA H 1 4.02 0.020 . 1 . . . . . 10 ILE HA . 27985 1 51 . 1 . 1 10 10 ILE C C 13 175.78 0.3 . 1 . . . . . 10 ILE C . 27985 1 52 . 1 . 1 10 10 ILE CA C 13 62.658 0.3 . 1 . . . . . 10 ILE CA . 27985 1 53 . 1 . 1 10 10 ILE CB C 13 38.477 0.3 . 1 . . . . . 10 ILE CB . 27985 1 54 . 1 . 1 10 10 ILE N N 15 122.131 0.3 . 1 . . . . . 10 ILE N . 27985 1 55 . 1 . 1 11 11 LYS H H 1 7.758 0.020 . 1 . . . . . 11 LYS H . 27985 1 56 . 1 . 1 11 11 LYS HA H 1 4.56 0.020 . 1 . . . . . 11 LYS HA . 27985 1 57 . 1 . 1 11 11 LYS C C 13 175.55 0.3 . 1 . . . . . 11 LYS C . 27985 1 58 . 1 . 1 11 11 LYS CA C 13 55.117 0.3 . 1 . . . . . 11 LYS CA . 27985 1 59 . 1 . 1 11 11 LYS CB C 13 34.768 0.3 . 1 . . . . . 11 LYS CB . 27985 1 60 . 1 . 1 11 11 LYS N N 15 118.498 0.3 . 1 . . . . . 11 LYS N . 27985 1 61 . 1 . 1 12 12 THR H H 1 8.329 0.020 . 1 . . . . . 12 THR H . 27985 1 62 . 1 . 1 12 12 THR HA H 1 4.42 0.020 . 1 . . . . . 12 THR HA . 27985 1 63 . 1 . 1 12 12 THR C C 13 173.82 0.3 . 1 . . . . . 12 THR C . 27985 1 64 . 1 . 1 12 12 THR CA C 13 60.706 0.3 . 1 . . . . . 12 THR CA . 27985 1 65 . 1 . 1 12 12 THR CB C 13 71.335 0.3 . 1 . . . . . 12 THR CB . 27985 1 66 . 1 . 1 12 12 THR N N 15 112.367 0.3 . 1 . . . . . 12 THR N . 27985 1 67 . 1 . 1 13 13 HIS H H 1 8.852 0.020 . 1 . . . . . 13 HIS H . 27985 1 68 . 1 . 1 13 13 HIS HA H 1 4.61 0.020 . 1 . . . . . 13 HIS HA . 27985 1 69 . 1 . 1 13 13 HIS C C 13 176.28 0.3 . 1 . . . . . 13 HIS C . 27985 1 70 . 1 . 1 13 13 HIS CA C 13 57.421 0.3 . 1 . . . . . 13 HIS CA . 27985 1 71 . 1 . 1 13 13 HIS CB C 13 32.017 0.3 . 1 . . . . . 13 HIS CB . 27985 1 72 . 1 . 1 13 13 HIS N N 15 123.525 0.3 . 1 . . . . . 13 HIS N . 27985 1 73 . 1 . 1 14 14 SER H H 1 8.127 0.020 . 1 . . . . . 14 SER H . 27985 1 74 . 1 . 1 14 14 SER HA H 1 4.74 0.020 . 1 . . . . . 14 SER HA . 27985 1 75 . 1 . 1 14 14 SER C C 13 174.42 0.3 . 1 . . . . . 14 SER C . 27985 1 76 . 1 . 1 14 14 SER CA C 13 59.746 0.3 . 1 . . . . . 14 SER CA . 27985 1 77 . 1 . 1 14 14 SER CB C 13 64.980 0.3 . 1 . . . . . 14 SER CB . 27985 1 78 . 1 . 1 14 14 SER N N 15 121.332 0.3 . 1 . . . . . 14 SER N . 27985 1 79 . 1 . 1 15 15 THR H H 1 6.867 0.020 . 1 . . . . . 15 THR H . 27985 1 80 . 1 . 1 15 15 THR HA H 1 4.24 0.020 . 1 . . . . . 15 THR HA . 27985 1 81 . 1 . 1 15 15 THR CA C 13 60.328 0.3 . 1 . . . . . 15 THR CA . 27985 1 82 . 1 . 1 15 15 THR CB C 13 70.102 0.3 . 1 . . . . . 15 THR CB . 27985 1 83 . 1 . 1 15 15 THR N N 15 118.837 0.3 . 1 . . . . . 15 THR N . 27985 1 84 . 1 . 1 17 17 PHE H H 1 5.860 0.020 . 1 . . . . . 17 PHE H . 27985 1 85 . 1 . 1 17 17 PHE HA H 1 4.80 0.020 . 1 . . . . . 17 PHE HA . 27985 1 86 . 1 . 1 17 17 PHE C C 13 174.61 0.3 . 1 . . . . . 17 PHE C . 27985 1 87 . 1 . 1 17 17 PHE CA C 13 54.511 0.3 . 1 . . . . . 17 PHE CA . 27985 1 88 . 1 . 1 17 17 PHE CB C 13 41.501 0.3 . 1 . . . . . 17 PHE CB . 27985 1 89 . 1 . 1 17 17 PHE N N 15 114.993 0.3 . 1 . . . . . 17 PHE N . 27985 1 90 . 1 . 1 18 18 HIS H H 1 8.578 0.020 . 1 . . . . . 18 HIS H . 27985 1 91 . 1 . 1 18 18 HIS HA H 1 4.02 0.020 . 1 . . . . . 18 HIS HA . 27985 1 92 . 1 . 1 18 18 HIS CA C 13 56.158 0.3 . 1 . . . . . 18 HIS CA . 27985 1 93 . 1 . 1 18 18 HIS CB C 13 32.164 0.3 . 1 . . . . . 18 HIS CB . 27985 1 94 . 1 . 1 18 18 HIS N N 15 122.172 0.3 . 1 . . . . . 18 HIS N . 27985 1 95 . 1 . 1 20 20 LYS H H 1 11.425 0.020 . 1 . . . . . 20 LYS H . 27985 1 96 . 1 . 1 20 20 LYS HA H 1 4.33 0.020 . 1 . . . . . 20 LYS HA . 27985 1 97 . 1 . 1 20 20 LYS C C 13 177.35 0.3 . 1 . . . . . 20 LYS C . 27985 1 98 . 1 . 1 20 20 LYS CA C 13 58.309 0.3 . 1 . . . . . 20 LYS CA . 27985 1 99 . 1 . 1 20 20 LYS CB C 13 30.786 0.3 . 1 . . . . . 20 LYS CB . 27985 1 100 . 1 . 1 20 20 LYS N N 15 123.522 0.3 . 1 . . . . . 20 LYS N . 27985 1 101 . 1 . 1 21 21 TYR H H 1 7.758 0.020 . 1 . . . . . 21 TYR H . 27985 1 102 . 1 . 1 21 21 TYR HA H 1 4.62 0.020 . 1 . . . . . 21 TYR HA . 27985 1 103 . 1 . 1 21 21 TYR C C 13 175.07 0.3 . 1 . . . . . 21 TYR C . 27985 1 104 . 1 . 1 21 21 TYR CA C 13 59.345 0.3 . 1 . . . . . 21 TYR CA . 27985 1 105 . 1 . 1 21 21 TYR CB C 13 38.620 0.3 . 1 . . . . . 21 TYR CB . 27985 1 106 . 1 . 1 21 21 TYR N N 15 117.619 0.3 . 1 . . . . . 21 TYR N . 27985 1 107 . 1 . 1 22 22 ILE H H 1 7.936 0.020 . 1 . . . . . 22 ILE H . 27985 1 108 . 1 . 1 22 22 ILE HA H 1 3.50 0.020 . 1 . . . . . 22 ILE HA . 27985 1 109 . 1 . 1 22 22 ILE C C 13 173.16 0.3 . 1 . . . . . 22 ILE C . 27985 1 110 . 1 . 1 22 22 ILE CA C 13 64.106 0.3 . 1 . . . . . 22 ILE CA . 27985 1 111 . 1 . 1 22 22 ILE CB C 13 38.678 0.3 . 1 . . . . . 22 ILE CB . 27985 1 112 . 1 . 1 22 22 ILE N N 15 119.472 0.3 . 1 . . . . . 22 ILE N . 27985 1 113 . 1 . 1 23 23 LYS H H 1 8.687 0.020 . 1 . . . . . 23 LYS H . 27985 1 114 . 1 . 1 23 23 LYS HA H 1 4.25 0.020 . 1 . . . . . 23 LYS HA . 27985 1 115 . 1 . 1 23 23 LYS C C 13 175.23 0.3 . 1 . . . . . 23 LYS C . 27985 1 116 . 1 . 1 23 23 LYS CA C 13 57.011 0.3 . 1 . . . . . 23 LYS CA . 27985 1 117 . 1 . 1 23 23 LYS CB C 13 33.852 0.3 . 1 . . . . . 23 LYS CB . 27985 1 118 . 1 . 1 23 23 LYS N N 15 125.711 0.3 . 1 . . . . . 23 LYS N . 27985 1 119 . 1 . 1 24 24 GLU H H 1 7.735 0.020 . 1 . . . . . 24 GLU H . 27985 1 120 . 1 . 1 24 24 GLU HA H 1 5.42 0.020 . 1 . . . . . 24 GLU HA . 27985 1 121 . 1 . 1 24 24 GLU C C 13 172.95 0.3 . 1 . . . . . 24 GLU C . 27985 1 122 . 1 . 1 24 24 GLU CA C 13 54.331 0.3 . 1 . . . . . 24 GLU CA . 27985 1 123 . 1 . 1 24 24 GLU CB C 13 33.984 0.3 . 1 . . . . . 24 GLU CB . 27985 1 124 . 1 . 1 24 24 GLU N N 15 116.641 0.3 . 1 . . . . . 24 GLU N . 27985 1 125 . 1 . 1 25 25 LEU H H 1 9.049 0.020 . 1 . . . . . 25 LEU H . 27985 1 126 . 1 . 1 25 25 LEU HA H 1 4.60 0.020 . 1 . . . . . 25 LEU HA . 27985 1 127 . 1 . 1 25 25 LEU C C 13 173.45 0.3 . 1 . . . . . 25 LEU C . 27985 1 128 . 1 . 1 25 25 LEU CA C 13 53.986 0.3 . 1 . . . . . 25 LEU CA . 27985 1 129 . 1 . 1 25 25 LEU CB C 13 47.421 0.3 . 1 . . . . . 25 LEU CB . 27985 1 130 . 1 . 1 25 25 LEU N N 15 124.605 0.3 . 1 . . . . . 25 LEU N . 27985 1 131 . 1 . 1 26 26 ARG H H 1 9.043 0.020 . 1 . . . . . 26 ARG H . 27985 1 132 . 1 . 1 26 26 ARG HA H 1 5.58 0.020 . 1 . . . . . 26 ARG HA . 27985 1 133 . 1 . 1 26 26 ARG C C 13 174.23 0.3 . 1 . . . . . 26 ARG C . 27985 1 134 . 1 . 1 26 26 ARG CA C 13 54.715 0.3 . 1 . . . . . 26 ARG CA . 27985 1 135 . 1 . 1 26 26 ARG CB C 13 33.827 0.3 . 1 . . . . . 26 ARG CB . 27985 1 136 . 1 . 1 26 26 ARG N N 15 126.694 0.3 . 1 . . . . . 26 ARG N . 27985 1 137 . 1 . 1 27 27 VAL H H 1 9.368 0.020 . 1 . . . . . 27 VAL H . 27985 1 138 . 1 . 1 27 27 VAL HA H 1 4.90 0.020 . 1 . . . . . 27 VAL HA . 27985 1 139 . 1 . 1 27 27 VAL C C 13 174.43 0.3 . 1 . . . . . 27 VAL C . 27985 1 140 . 1 . 1 27 27 VAL CA C 13 61.180 0.3 . 1 . . . . . 27 VAL CA . 27985 1 141 . 1 . 1 27 27 VAL CB C 13 33.885 0.3 . 1 . . . . . 27 VAL CB . 27985 1 142 . 1 . 1 27 27 VAL N N 15 124.398 0.3 . 1 . . . . . 27 VAL N . 27985 1 143 . 1 . 1 28 28 ILE H H 1 9.468 0.020 . 1 . . . . . 28 ILE H . 27985 1 144 . 1 . 1 28 28 ILE C C 13 176.83 0.3 . 1 . . . . . 28 ILE C . 27985 1 145 . 1 . 1 28 28 ILE CA C 13 61.107 0.3 . 1 . . . . . 28 ILE CA . 27985 1 146 . 1 . 1 28 28 ILE CB C 13 40.053 0.3 . 1 . . . . . 28 ILE CB . 27985 1 147 . 1 . 1 28 28 ILE N N 15 127.907 0.3 . 1 . . . . . 28 ILE N . 27985 1 148 . 1 . 1 29 29 ASP H H 1 8.581 0.020 . 1 . . . . . 29 ASP H . 27985 1 149 . 1 . 1 29 29 ASP HA H 1 4.78 0.020 . 1 . . . . . 29 ASP HA . 27985 1 150 . 1 . 1 29 29 ASP C C 13 177.39 0.3 . 1 . . . . . 29 ASP C . 27985 1 151 . 1 . 1 29 29 ASP CA C 13 54.389 0.3 . 1 . . . . . 29 ASP CA . 27985 1 152 . 1 . 1 29 29 ASP CB C 13 41.646 0.3 . 1 . . . . . 29 ASP CB . 27985 1 153 . 1 . 1 29 29 ASP N N 15 125.711 0.3 . 1 . . . . . 29 ASP N . 27985 1 154 . 1 . 1 30 30 SER H H 1 8.477 0.020 . 1 . . . . . 30 SER H . 27985 1 155 . 1 . 1 30 30 SER HA H 1 4.09 0.020 . 1 . . . . . 30 SER HA . 27985 1 156 . 1 . 1 30 30 SER C C 13 173.44 0.3 . 1 . . . . . 30 SER C . 27985 1 157 . 1 . 1 30 30 SER CA C 13 58.369 0.3 . 1 . . . . . 30 SER CA . 27985 1 158 . 1 . 1 30 30 SER CB C 13 64.903 0.3 . 1 . . . . . 30 SER CB . 27985 1 159 . 1 . 1 30 30 SER N N 15 118.658 0.3 . 1 . . . . . 30 SER N . 27985 1 160 . 1 . 1 31 31 GLY H H 1 8.039 0.020 . 1 . . . . . 31 GLY H . 27985 1 161 . 1 . 1 31 31 GLY HA2 H 1 4.69 0.020 . 1 . . . . . 31 GLY HA . 27985 1 162 . 1 . 1 31 31 GLY HA3 H 1 4.69 0.020 . 1 . . . . . 31 GLY HA . 27985 1 163 . 1 . 1 31 31 GLY CA C 13 45.841 0.3 . 1 . . . . . 31 GLY CA . 27985 1 164 . 1 . 1 31 31 GLY N N 15 106.119 0.3 . 1 . . . . . 31 GLY N . 27985 1 165 . 1 . 1 33 33 HIS H H 1 8.156 0.020 . 1 . . . . . 33 HIS H . 27985 1 166 . 1 . 1 33 33 HIS HA H 1 4.20 0.020 . 1 . . . . . 33 HIS HA . 27985 1 167 . 1 . 1 33 33 HIS C C 13 173.98 0.3 . 1 . . . . . 33 HIS C . 27985 1 168 . 1 . 1 33 33 HIS CA C 13 56.499 0.3 . 1 . . . . . 33 HIS CA . 27985 1 169 . 1 . 1 33 33 HIS CB C 13 30.512 0.3 . 1 . . . . . 33 HIS CB . 27985 1 170 . 1 . 1 33 33 HIS N N 15 111.785 0.3 . 1 . . . . . 33 HIS N . 27985 1 171 . 1 . 1 34 34 CYS H H 1 6.465 0.020 . 1 . . . . . 34 CYS H . 27985 1 172 . 1 . 1 34 34 CYS HA H 1 4.37 0.020 . 1 . . . . . 34 CYS HA . 27985 1 173 . 1 . 1 34 34 CYS C C 13 172.61 0.3 . 1 . . . . . 34 CYS C . 27985 1 174 . 1 . 1 34 34 CYS CA C 13 57.282 0.3 . 1 . . . . . 34 CYS CA . 27985 1 175 . 1 . 1 34 34 CYS CB C 13 41.936 0.3 . 1 . . . . . 34 CYS CB . 27985 1 176 . 1 . 1 34 34 CYS N N 15 116.524 0.3 . 1 . . . . . 34 CYS N . 27985 1 177 . 1 . 1 35 35 GLU H H 1 9.187 0.020 . 1 . . . . . 35 GLU H . 27985 1 178 . 1 . 1 35 35 GLU HA H 1 4.05 0.020 . 1 . . . . . 35 GLU HA . 27985 1 179 . 1 . 1 35 35 GLU C C 13 175.07 0.3 . 1 . . . . . 35 GLU C . 27985 1 180 . 1 . 1 35 35 GLU CA C 13 58.594 0.3 . 1 . . . . . 35 GLU CA . 27985 1 181 . 1 . 1 35 35 GLU CB C 13 29.338 0.3 . 1 . . . . . 35 GLU CB . 27985 1 182 . 1 . 1 35 35 GLU N N 15 127.693 0.3 . 1 . . . . . 35 GLU N . 27985 1 183 . 1 . 1 36 36 ASN H H 1 7.444 0.020 . 1 . . . . . 36 ASN H . 27985 1 184 . 1 . 1 36 36 ASN HA H 1 5.02 0.020 . 1 . . . . . 36 ASN HA . 27985 1 185 . 1 . 1 36 36 ASN C C 13 175.18 0.3 . 1 . . . . . 36 ASN C . 27985 1 186 . 1 . 1 36 36 ASN CA C 13 51.687 0.3 . 1 . . . . . 36 ASN CA . 27985 1 187 . 1 . 1 36 36 ASN CB C 13 41.357 0.3 . 1 . . . . . 36 ASN CB . 27985 1 188 . 1 . 1 36 36 ASN N N 15 115.865 0.3 . 1 . . . . . 36 ASN N . 27985 1 189 . 1 . 1 37 37 SER H H 1 8.589 0.020 . 1 . . . . . 37 SER H . 27985 1 190 . 1 . 1 37 37 SER HA H 1 4.62 0.020 . 1 . . . . . 37 SER HA . 27985 1 191 . 1 . 1 37 37 SER C C 13 173.54 0.3 . 1 . . . . . 37 SER C . 27985 1 192 . 1 . 1 37 37 SER CA C 13 58.529 0.3 . 1 . . . . . 37 SER CA . 27985 1 193 . 1 . 1 37 37 SER CB C 13 64.057 0.3 . 1 . . . . . 37 SER CB . 27985 1 194 . 1 . 1 37 37 SER N N 15 118.054 0.3 . 1 . . . . . 37 SER N . 27985 1 195 . 1 . 1 38 38 GLU H H 1 8.687 0.020 . 1 . . . . . 38 GLU H . 27985 1 196 . 1 . 1 38 38 GLU HA H 1 4.80 0.020 . 1 . . . . . 38 GLU HA . 27985 1 197 . 1 . 1 38 38 GLU C C 13 174.68 0.3 . 1 . . . . . 38 GLU C . 27985 1 198 . 1 . 1 38 38 GLU CA C 13 56.215 0.3 . 1 . . . . . 38 GLU CA . 27985 1 199 . 1 . 1 38 38 GLU CB C 13 34.205 0.3 . 1 . . . . . 38 GLU CB . 27985 1 200 . 1 . 1 38 38 GLU N N 15 120.252 0.3 . 1 . . . . . 38 GLU N . 27985 1 201 . 1 . 1 39 39 ILE H H 1 8.417 0.020 . 1 . . . . . 39 ILE H . 27985 1 202 . 1 . 1 39 39 ILE HA H 1 4.92 0.020 . 1 . . . . . 39 ILE HA . 27985 1 203 . 1 . 1 39 39 ILE C C 13 174.11 0.3 . 1 . . . . . 39 ILE C . 27985 1 204 . 1 . 1 39 39 ILE CA C 13 60.666 0.3 . 1 . . . . . 39 ILE CA . 27985 1 205 . 1 . 1 39 39 ILE CB C 13 39.981 0.3 . 1 . . . . . 39 ILE CB . 27985 1 206 . 1 . 1 39 39 ILE N N 15 120.666 0.3 . 1 . . . . . 39 ILE N . 27985 1 207 . 1 . 1 40 40 ILE H H 1 9.186 0.020 . 1 . . . . . 40 ILE H . 27985 1 208 . 1 . 1 40 40 ILE HA H 1 4.78 0.020 . 1 . . . . . 40 ILE HA . 27985 1 209 . 1 . 1 40 40 ILE C C 13 176.71 0.3 . 1 . . . . . 40 ILE C . 27985 1 210 . 1 . 1 40 40 ILE CA C 13 58.590 0.3 . 1 . . . . . 40 ILE CA . 27985 1 211 . 1 . 1 40 40 ILE CB C 13 39.193 0.3 . 1 . . . . . 40 ILE CB . 27985 1 212 . 1 . 1 40 40 ILE N N 15 127.726 0.3 . 1 . . . . . 40 ILE N . 27985 1 213 . 1 . 1 41 41 VAL H H 1 9.227 0.020 . 1 . . . . . 41 VAL H . 27985 1 214 . 1 . 1 41 41 VAL HA H 1 5.08 0.020 . 1 . . . . . 41 VAL HA . 27985 1 215 . 1 . 1 41 41 VAL C C 13 173.95 0.3 . 1 . . . . . 41 VAL C . 27985 1 216 . 1 . 1 41 41 VAL CA C 13 58.725 0.3 . 1 . . . . . 41 VAL CA . 27985 1 217 . 1 . 1 41 41 VAL CB C 13 34.334 0.3 . 1 . . . . . 41 VAL CB . 27985 1 218 . 1 . 1 41 41 VAL N N 15 122.429 0.3 . 1 . . . . . 41 VAL N . 27985 1 219 . 1 . 1 42 42 LYS H H 1 8.615 0.020 . 1 . . . . . 42 LYS H . 27985 1 220 . 1 . 1 42 42 LYS HA H 1 4.89 0.020 . 1 . . . . . 42 LYS HA . 27985 1 221 . 1 . 1 42 42 LYS C C 13 176.07 0.3 . 1 . . . . . 42 LYS C . 27985 1 222 . 1 . 1 42 42 LYS CA C 13 54.603 0.3 . 1 . . . . . 42 LYS CA . 27985 1 223 . 1 . 1 42 42 LYS CB C 13 34.401 0.3 . 1 . . . . . 42 LYS CB . 27985 1 224 . 1 . 1 42 42 LYS N N 15 123.209 0.3 . 1 . . . . . 42 LYS N . 27985 1 225 . 1 . 1 43 43 LEU H H 1 8.795 0.020 . 1 . . . . . 43 LEU H . 27985 1 226 . 1 . 1 43 43 LEU HA H 1 5.02 0.020 . 1 . . . . . 43 LEU HA . 27985 1 227 . 1 . 1 43 43 LEU C C 13 179.79 0.3 . 1 . . . . . 43 LEU C . 27985 1 228 . 1 . 1 43 43 LEU CA C 13 53.846 0.3 . 1 . . . . . 43 LEU CA . 27985 1 229 . 1 . 1 43 43 LEU CB C 13 42.008 0.3 . 1 . . . . . 43 LEU CB . 27985 1 230 . 1 . 1 43 43 LEU N N 15 125.163 0.3 . 1 . . . . . 43 LEU N . 27985 1 231 . 1 . 1 44 44 PHE H H 1 8.687 0.020 . 1 . . . . . 44 PHE H . 27985 1 232 . 1 . 1 44 44 PHE HA H 1 4.80 0.020 . 1 . . . . . 44 PHE HA . 27985 1 233 . 1 . 1 44 44 PHE C C 13 176.39 0.3 . 1 . . . . . 44 PHE C . 27985 1 234 . 1 . 1 44 44 PHE CA C 13 62.731 0.3 . 1 . . . . . 44 PHE CA . 27985 1 235 . 1 . 1 44 44 PHE CB C 13 39.273 0.3 . 1 . . . . . 44 PHE CB . 27985 1 236 . 1 . 1 44 44 PHE N N 15 120.259 0.3 . 1 . . . . . 44 PHE N . 27985 1 237 . 1 . 1 45 45 ASN H H 1 7.505 0.020 . 1 . . . . . 45 ASN H . 27985 1 238 . 1 . 1 45 45 ASN HA H 1 4.35 0.020 . 1 . . . . . 45 ASN HA . 27985 1 239 . 1 . 1 45 45 ASN C C 13 176.00 0.3 . 1 . . . . . 45 ASN C . 27985 1 240 . 1 . 1 45 45 ASN CA C 13 52.643 0.3 . 1 . . . . . 45 ASN CA . 27985 1 241 . 1 . 1 45 45 ASN CB C 13 37.029 0.3 . 1 . . . . . 45 ASN CB . 27985 1 242 . 1 . 1 45 45 ASN N N 15 115.219 0.3 . 1 . . . . . 45 ASN N . 27985 1 243 . 1 . 1 46 46 GLY H H 1 7.959 0.020 . 1 . . . . . 46 GLY H . 27985 1 244 . 1 . 1 46 46 GLY HA2 H 1 4.23 0.020 . 1 . . . . . 46 GLY HA . 27985 1 245 . 1 . 1 46 46 GLY HA3 H 1 4.23 0.020 . 1 . . . . . 46 GLY HA . 27985 1 246 . 1 . 1 46 46 GLY C C 13 174.25 0.3 . 1 . . . . . 46 GLY C . 27985 1 247 . 1 . 1 46 46 GLY CA C 13 45.008 0.3 . 1 . . . . . 46 GLY CA . 27985 1 248 . 1 . 1 46 46 GLY N N 15 107.657 0.3 . 1 . . . . . 46 GLY N . 27985 1 249 . 1 . 1 47 47 ASN H H 1 7.944 0.020 . 1 . . . . . 47 ASN H . 27985 1 250 . 1 . 1 47 47 ASN HA H 1 4.44 0.020 . 1 . . . . . 47 ASN HA . 27985 1 251 . 1 . 1 47 47 ASN C C 13 173.63 0.3 . 1 . . . . . 47 ASN C . 27985 1 252 . 1 . 1 47 47 ASN CA C 13 53.753 0.3 . 1 . . . . . 47 ASN CA . 27985 1 253 . 1 . 1 47 47 ASN CB C 13 38.519 0.3 . 1 . . . . . 47 ASN CB . 27985 1 254 . 1 . 1 47 47 ASN N N 15 119.690 0.3 . 1 . . . . . 47 ASN N . 27985 1 255 . 1 . 1 48 48 GLU H H 1 8.335 0.020 . 1 . . . . . 48 GLU H . 27985 1 256 . 1 . 1 48 48 GLU HA H 1 4.29 0.020 . 1 . . . . . 48 GLU HA . 27985 1 257 . 1 . 1 48 48 GLU C C 13 176.32 0.3 . 1 . . . . . 48 GLU C . 27985 1 258 . 1 . 1 48 48 GLU CA C 13 56.678 0.3 . 1 . . . . . 48 GLU CA . 27985 1 259 . 1 . 1 48 48 GLU CB C 13 29.987 0.3 . 1 . . . . . 48 GLU CB . 27985 1 260 . 1 . 1 48 48 GLU N N 15 121.566 0.3 . 1 . . . . . 48 GLU N . 27985 1 261 . 1 . 1 49 49 VAL H H 1 8.955 0.020 . 1 . . . . . 49 VAL H . 27985 1 262 . 1 . 1 49 49 VAL HA H 1 4.46 0.020 . 1 . . . . . 49 VAL HA . 27985 1 263 . 1 . 1 49 49 VAL C C 13 174.32 0.3 . 1 . . . . . 49 VAL C . 27985 1 264 . 1 . 1 49 49 VAL CA C 13 59.919 0.3 . 1 . . . . . 49 VAL CA . 27985 1 265 . 1 . 1 49 49 VAL CB C 13 35.637 0.3 . 1 . . . . . 49 VAL CB . 27985 1 266 . 1 . 1 49 49 VAL N N 15 119.046 0.3 . 1 . . . . . 49 VAL N . 27985 1 267 . 1 . 1 50 50 CYS H H 1 8.897 0.020 . 1 . . . . . 50 CYS H . 27985 1 268 . 1 . 1 50 50 CYS HA H 1 5.61 0.020 . 1 . . . . . 50 CYS HA . 27985 1 269 . 1 . 1 50 50 CYS C C 13 173.86 0.3 . 1 . . . . . 50 CYS C . 27985 1 270 . 1 . 1 50 50 CYS CA C 13 57.146 0.3 . 1 . . . . . 50 CYS CA . 27985 1 271 . 1 . 1 50 50 CYS CB C 13 48.667 0.3 . 1 . . . . . 50 CYS CB . 27985 1 272 . 1 . 1 50 50 CYS N N 15 121.996 0.3 . 1 . . . . . 50 CYS N . 27985 1 273 . 1 . 1 51 51 LEU H H 1 8.824 0.020 . 1 . . . . . 51 LEU H . 27985 1 274 . 1 . 1 51 51 LEU HA H 1 4.82 0.020 . 1 . . . . . 51 LEU HA . 27985 1 275 . 1 . 1 51 51 LEU C C 13 175.57 0.3 . 1 . . . . . 51 LEU C . 27985 1 276 . 1 . 1 51 51 LEU CA C 13 52.463 0.3 . 1 . . . . . 51 LEU CA . 27985 1 277 . 1 . 1 51 51 LEU CB C 13 44.895 0.3 . 1 . . . . . 51 LEU CB . 27985 1 278 . 1 . 1 51 51 LEU N N 15 120.794 0.3 . 1 . . . . . 51 LEU N . 27985 1 279 . 1 . 1 52 52 ASP H H 1 9.117 0.020 . 1 . . . . . 52 ASP H . 27985 1 280 . 1 . 1 52 52 ASP CA C 13 51.070 0.3 . 1 . . . . . 52 ASP CA . 27985 1 281 . 1 . 1 52 52 ASP CB C 13 44.759 0.3 . 1 . . . . . 52 ASP CB . 27985 1 282 . 1 . 1 52 52 ASP N N 15 123.740 0.3 . 1 . . . . . 52 ASP N . 27985 1 283 . 1 . 1 54 54 LYS H H 1 8.015 0.020 . 1 . . . . . 54 LYS H . 27985 1 284 . 1 . 1 54 54 LYS HA H 1 3.86 0.020 . 1 . . . . . 54 LYS HA . 27985 1 285 . 1 . 1 54 54 LYS C C 13 177.90 0.3 . 1 . . . . . 54 LYS C . 27985 1 286 . 1 . 1 54 54 LYS CA C 13 57.161 0.3 . 1 . . . . . 54 LYS CA . 27985 1 287 . 1 . 1 54 54 LYS CB C 13 31.956 0.3 . 1 . . . . . 54 LYS CB . 27985 1 288 . 1 . 1 54 54 LYS N N 15 113.248 0.3 . 1 . . . . . 54 LYS N . 27985 1 289 . 1 . 1 55 55 GLU H H 1 7.468 0.020 . 1 . . . . . 55 GLU H . 27985 1 290 . 1 . 1 55 55 GLU HA H 1 4.14 0.020 . 1 . . . . . 55 GLU HA . 27985 1 291 . 1 . 1 55 55 GLU C C 13 177.39 0.3 . 1 . . . . . 55 GLU C . 27985 1 292 . 1 . 1 55 55 GLU CA C 13 55.868 0.3 . 1 . . . . . 55 GLU CA . 27985 1 293 . 1 . 1 55 55 GLU CB C 13 30.218 0.3 . 1 . . . . . 55 GLU CB . 27985 1 294 . 1 . 1 55 55 GLU N N 15 119.260 0.3 . 1 . . . . . 55 GLU N . 27985 1 295 . 1 . 1 56 56 LYS H H 1 8.806 0.020 . 1 . . . . . 56 LYS H . 27985 1 296 . 1 . 1 56 56 LYS HA H 1 3.64 0.020 . 1 . . . . . 56 LYS HA . 27985 1 297 . 1 . 1 56 56 LYS C C 13 180.38 0.3 . 1 . . . . . 56 LYS C . 27985 1 298 . 1 . 1 56 56 LYS CA C 13 59.968 0.3 . 1 . . . . . 56 LYS CA . 27985 1 299 . 1 . 1 56 56 LYS CB C 13 30.689 0.3 . 1 . . . . . 56 LYS CB . 27985 1 300 . 1 . 1 56 56 LYS N N 15 126.257 0.3 . 1 . . . . . 56 LYS N . 27985 1 301 . 1 . 1 57 57 TRP H H 1 9.079 0.020 . 1 . . . . . 57 TRP H . 27985 1 302 . 1 . 1 57 57 TRP HA H 1 4.26 0.020 . 1 . . . . . 57 TRP HA . 27985 1 303 . 1 . 1 57 57 TRP C C 13 178.11 0.3 . 1 . . . . . 57 TRP C . 27985 1 304 . 1 . 1 57 57 TRP CA C 13 60.139 0.3 . 1 . . . . . 57 TRP CA . 27985 1 305 . 1 . 1 57 57 TRP CB C 13 26.297 0.3 . 1 . . . . . 57 TRP CB . 27985 1 306 . 1 . 1 57 57 TRP N N 15 117.875 0.3 . 1 . . . . . 57 TRP N . 27985 1 307 . 1 . 1 58 58 VAL H H 1 5.738 0.020 . 1 . . . . . 58 VAL H . 27985 1 308 . 1 . 1 58 58 VAL HA H 1 4.85 0.020 . 1 . . . . . 58 VAL HA . 27985 1 309 . 1 . 1 58 58 VAL C C 13 176.74 0.3 . 1 . . . . . 58 VAL C . 27985 1 310 . 1 . 1 58 58 VAL CA C 13 65.626 0.3 . 1 . . . . . 58 VAL CA . 27985 1 311 . 1 . 1 58 58 VAL CB C 13 30.859 0.3 . 1 . . . . . 58 VAL CB . 27985 1 312 . 1 . 1 58 58 VAL N N 15 124.400 0.3 . 1 . . . . . 58 VAL N . 27985 1 313 . 1 . 1 59 59 GLN H H 1 7.392 0.020 . 1 . . . . . 59 GLN H . 27985 1 314 . 1 . 1 59 59 GLN HA H 1 3.52 0.020 . 1 . . . . . 59 GLN HA . 27985 1 315 . 1 . 1 59 59 GLN C C 13 179.59 0.3 . 1 . . . . . 59 GLN C . 27985 1 316 . 1 . 1 59 59 GLN CA C 13 59.083 0.3 . 1 . . . . . 59 GLN CA . 27985 1 317 . 1 . 1 59 59 GLN CB C 13 26.497 0.3 . 1 . . . . . 59 GLN CB . 27985 1 318 . 1 . 1 59 59 GLN N N 15 117.503 0.3 . 1 . . . . . 59 GLN N . 27985 1 319 . 1 . 1 60 60 LYS H H 1 7.797 0.020 . 1 . . . . . 60 LYS H . 27985 1 320 . 1 . 1 60 60 LYS HA H 1 4.02 0.020 . 1 . . . . . 60 LYS HA . 27985 1 321 . 1 . 1 60 60 LYS C C 13 178.67 0.3 . 1 . . . . . 60 LYS C . 27985 1 322 . 1 . 1 60 60 LYS CA C 13 59.455 0.3 . 1 . . . . . 60 LYS CA . 27985 1 323 . 1 . 1 60 60 LYS CB C 13 32.015 0.3 . 1 . . . . . 60 LYS CB . 27985 1 324 . 1 . 1 60 60 LYS N N 15 118.155 0.3 . 1 . . . . . 60 LYS N . 27985 1 325 . 1 . 1 61 61 VAL H H 1 8.133 0.020 . 1 . . . . . 61 VAL H . 27985 1 326 . 1 . 1 61 61 VAL HA H 1 3.67 0.020 . 1 . . . . . 61 VAL HA . 27985 1 327 . 1 . 1 61 61 VAL C C 13 177.65 0.3 . 1 . . . . . 61 VAL C . 27985 1 328 . 1 . 1 61 61 VAL CA C 13 67.147 0.3 . 1 . . . . . 61 VAL CA . 27985 1 329 . 1 . 1 61 61 VAL CB C 13 31.496 0.3 . 1 . . . . . 61 VAL CB . 27985 1 330 . 1 . 1 61 61 VAL N N 15 118.049 0.3 . 1 . . . . . 61 VAL N . 27985 1 331 . 1 . 1 62 62 VAL H H 1 8.290 0.020 . 1 . . . . . 62 VAL H . 27985 1 332 . 1 . 1 62 62 VAL HA H 1 3.39 0.020 . 1 . . . . . 62 VAL HA . 27985 1 333 . 1 . 1 62 62 VAL C C 13 177.19 0.3 . 1 . . . . . 62 VAL C . 27985 1 334 . 1 . 1 62 62 VAL CA C 13 67.355 0.3 . 1 . . . . . 62 VAL CA . 27985 1 335 . 1 . 1 62 62 VAL CB C 13 31.293 0.3 . 1 . . . . . 62 VAL CB . 27985 1 336 . 1 . 1 62 62 VAL N N 15 119.040 0.3 . 1 . . . . . 62 VAL N . 27985 1 337 . 1 . 1 63 63 GLN H H 1 7.404 0.020 . 1 . . . . . 63 GLN H . 27985 1 338 . 1 . 1 63 63 GLN HA H 1 3.86 0.020 . 1 . . . . . 63 GLN HA . 27985 1 339 . 1 . 1 63 63 GLN C C 13 179.02 0.3 . 1 . . . . . 63 GLN C . 27985 1 340 . 1 . 1 63 63 GLN CA C 13 59.198 0.3 . 1 . . . . . 63 GLN CA . 27985 1 341 . 1 . 1 63 63 GLN CB C 13 28.101 0.3 . 1 . . . . . 63 GLN CB . 27985 1 342 . 1 . 1 63 63 GLN N N 15 117.405 0.3 . 1 . . . . . 63 GLN N . 27985 1 343 . 1 . 1 64 64 ILE H H 1 8.128 0.020 . 1 . . . . . 64 ILE H . 27985 1 344 . 1 . 1 64 64 ILE HA H 1 3.52 0.020 . 1 . . . . . 64 ILE HA . 27985 1 345 . 1 . 1 64 64 ILE C C 13 178.63 0.3 . 1 . . . . . 64 ILE C . 27985 1 346 . 1 . 1 64 64 ILE CA C 13 65.474 0.3 . 1 . . . . . 64 ILE CA . 27985 1 347 . 1 . 1 64 64 ILE CB C 13 38.026 0.3 . 1 . . . . . 64 ILE CB . 27985 1 348 . 1 . 1 64 64 ILE N N 15 120.452 0.3 . 1 . . . . . 64 ILE N . 27985 1 349 . 1 . 1 65 65 PHE H H 1 8.419 0.020 . 1 . . . . . 65 PHE H . 27985 1 350 . 1 . 1 65 65 PHE HA H 1 4.17 0.020 . 1 . . . . . 65 PHE HA . 27985 1 351 . 1 . 1 65 65 PHE C C 13 177.12 0.3 . 1 . . . . . 65 PHE C . 27985 1 352 . 1 . 1 65 65 PHE CA C 13 61.865 0.3 . 1 . . . . . 65 PHE CA . 27985 1 353 . 1 . 1 65 65 PHE CB C 13 39.570 0.3 . 1 . . . . . 65 PHE CB . 27985 1 354 . 1 . 1 65 65 PHE N N 15 121.667 0.3 . 1 . . . . . 65 PHE N . 27985 1 355 . 1 . 1 66 66 LEU H H 1 8.543 0.020 . 1 . . . . . 66 LEU H . 27985 1 356 . 1 . 1 66 66 LEU HA H 1 3.55 0.020 . 1 . . . . . 66 LEU HA . 27985 1 357 . 1 . 1 66 66 LEU C C 13 178.79 0.3 . 1 . . . . . 66 LEU C . 27985 1 358 . 1 . 1 66 66 LEU CA C 13 57.839 0.3 . 1 . . . . . 66 LEU CA . 27985 1 359 . 1 . 1 66 66 LEU CB C 13 41.646 0.3 . 1 . . . . . 66 LEU CB . 27985 1 360 . 1 . 1 66 66 LEU N N 15 119.437 0.3 . 1 . . . . . 66 LEU N . 27985 1 361 . 1 . 1 67 67 LYS H H 1 7.846 0.020 . 1 . . . . . 67 LYS H . 27985 1 362 . 1 . 1 67 67 LYS HA H 1 3.73 0.020 . 1 . . . . . 67 LYS HA . 27985 1 363 . 1 . 1 67 67 LYS C C 13 178.93 0.3 . 1 . . . . . 67 LYS C . 27985 1 364 . 1 . 1 67 67 LYS CA C 13 59.479 0.3 . 1 . . . . . 67 LYS CA . 27985 1 365 . 1 . 1 67 67 LYS CB C 13 31.727 0.3 . 1 . . . . . 67 LYS CB . 27985 1 366 . 1 . 1 67 67 LYS N N 15 117.721 0.3 . 1 . . . . . 67 LYS N . 27985 1 367 . 1 . 1 68 68 LYS H H 1 7.553 0.020 . 1 . . . . . 68 LYS H . 27985 1 368 . 1 . 1 68 68 LYS HA H 1 3.93 0.020 . 1 . . . . . 68 LYS HA . 27985 1 369 . 1 . 1 68 68 LYS C C 13 179.54 0.3 . 1 . . . . . 68 LYS C . 27985 1 370 . 1 . 1 68 68 LYS CA C 13 59.376 0.3 . 1 . . . . . 68 LYS CA . 27985 1 371 . 1 . 1 68 68 LYS CB C 13 31.817 0.3 . 1 . . . . . 68 LYS CB . 27985 1 372 . 1 . 1 68 68 LYS N N 15 120.027 0.3 . 1 . . . . . 68 LYS N . 27985 1 373 . 1 . 1 69 69 ALA H H 1 7.990 0.020 . 1 . . . . . 69 ALA H . 27985 1 374 . 1 . 1 69 69 ALA HA H 1 3.95 0.020 . 1 . . . . . 69 ALA HA . 27985 1 375 . 1 . 1 69 69 ALA C C 13 178.72 0.3 . 1 . . . . . 69 ALA C . 27985 1 376 . 1 . 1 69 69 ALA CA C 13 54.362 0.3 . 1 . . . . . 69 ALA CA . 27985 1 377 . 1 . 1 69 69 ALA CB C 13 17.625 0.3 . 1 . . . . . 69 ALA CB . 27985 1 378 . 1 . 1 69 69 ALA N N 15 121.750 0.3 . 1 . . . . . 69 ALA N . 27985 1 379 . 1 . 1 70 70 GLU H H 1 7.775 0.020 . 1 . . . . . 70 GLU H . 27985 1 380 . 1 . 1 70 70 GLU HA H 1 3.71 0.020 . 1 . . . . . 70 GLU HA . 27985 1 381 . 1 . 1 70 70 GLU C C 13 175.12 0.3 . 1 . . . . . 70 GLU C . 27985 1 382 . 1 . 1 70 70 GLU CA C 13 56.422 0.3 . 1 . . . . . 70 GLU CA . 27985 1 383 . 1 . 1 70 70 GLU CB C 13 29.061 0.3 . 1 . . . . . 70 GLU CB . 27985 1 384 . 1 . 1 70 70 GLU N N 15 114.348 0.3 . 1 . . . . . 70 GLU N . 27985 1 385 . 1 . 1 71 71 LYS H H 1 7.553 0.020 . 1 . . . . . 71 LYS H . 27985 1 386 . 1 . 1 71 71 LYS HA H 1 3.93 0.020 . 1 . . . . . 71 LYS HA . 27985 1 387 . 1 . 1 71 71 LYS C C 13 176.05 0.3 . 1 . . . . . 71 LYS C . 27985 1 388 . 1 . 1 71 71 LYS CA C 13 57.009 0.3 . 1 . . . . . 71 LYS CA . 27985 1 389 . 1 . 1 71 71 LYS CB C 13 30.917 0.3 . 1 . . . . . 71 LYS CB . 27985 1 390 . 1 . 1 71 71 LYS N N 15 117.394 0.3 . 1 . . . . . 71 LYS N . 27985 1 391 . 1 . 1 72 72 GLN H H 1 8.173 0.020 . 1 . . . . . 72 GLN H . 27985 1 392 . 1 . 1 72 72 GLN HA H 1 4.21 0.020 . 1 . . . . . 72 GLN HA . 27985 1 393 . 1 . 1 72 72 GLN C C 13 175.55 0.3 . 1 . . . . . 72 GLN C . 27985 1 394 . 1 . 1 72 72 GLN CA C 13 55.734 0.3 . 1 . . . . . 72 GLN CA . 27985 1 395 . 1 . 1 72 72 GLN CB C 13 29.861 0.3 . 1 . . . . . 72 GLN CB . 27985 1 396 . 1 . 1 72 72 GLN N N 15 119.143 0.3 . 1 . . . . . 72 GLN N . 27985 1 397 . 1 . 1 73 73 ASP H H 1 8.273 0.020 . 1 . . . . . 73 ASP H . 27985 1 398 . 1 . 1 73 73 ASP HA H 1 4.71 0.020 . 1 . . . . . 73 ASP HA . 27985 1 399 . 1 . 1 73 73 ASP CA C 13 52.881 0.3 . 1 . . . . . 73 ASP CA . 27985 1 400 . 1 . 1 73 73 ASP CB C 13 40.307 0.3 . 1 . . . . . 73 ASP CB . 27985 1 401 . 1 . 1 73 73 ASP N N 15 122.540 0.3 . 1 . . . . . 73 ASP N . 27985 1 stop_ save_