################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SUMO _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 $chem_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 '3D noesy-Chsqc' . . . 53021 1 2 '3D HCCH-TOCSY' . . . 53021 1 3 '3D noesy-Nhsqc' . . . 53021 1 4 '3D HNCACO' . . . 53021 1 5 '3D CBCA(CO)NH' . . . 53021 1 6 '3D HNCA' . . . 53021 1 7 '3D HNCACB' . . . 53021 1 8 '3D HN(CA)CO' . . . 53021 1 9 '3D HNCO' . . . 53021 1 10 '3D HN(CO)CA' . . . 53021 1 11 '3D HNHA' . . . 53021 1 12 '3D Nhsqc-TOCSY' . . . 53021 1 13 '2D 1H-15N HSQC' . . . 53021 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 $software_1 . . 53021 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 2 2 GLY H H 1 8.613697317 0.003021875316 . . . . . . . 2 GLY H . 53021 1 2 . 1 . 1 2 2 GLY HA2 H 1 4.041498194 0.000947121941 . . . . . . . 2 GLY HA# . 53021 1 3 . 1 . 1 2 2 GLY HA3 H 1 4.041498194 0.000947121941 . . . . . . . 2 GLY HA# . 53021 1 4 . 1 . 1 2 2 GLY C C 13 174.6734144 0.007085089564 . . . . . . . 2 GLY C . 53021 1 5 . 1 . 1 2 2 GLY CA C 13 45.33224978 0.09678672916 . . . . . . . 2 GLY CA . 53021 1 6 . 1 . 1 2 2 GLY N N 15 110.7938268 0.001262817489 . . . . . . . 2 GLY N . 53021 1 7 . 1 . 1 3 3 SER H H 1 8.309694204 0.002484159753 . . . . . . . 3 SER H . 53021 1 8 . 1 . 1 3 3 SER HA H 1 4.401693069 0.2429575022 . . . . . . . 3 SER HA . 53021 1 9 . 1 . 1 3 3 SER HB2 H 1 4.015506436 0.2727496439 . . . . . . . 3 SER HB# . 53021 1 10 . 1 . 1 3 3 SER HB3 H 1 4.015506436 0.2727496439 . . . . . . . 3 SER HB# . 53021 1 11 . 1 . 1 3 3 SER C C 13 174.902899 0.009863077567 . . . . . . . 3 SER C . 53021 1 12 . 1 . 1 3 3 SER CA C 13 58.57700482 0.01063528533 . . . . . . . 3 SER CA . 53021 1 13 . 1 . 1 3 3 SER CB C 13 63.77648496 0.01071957965 . . . . . . . 3 SER CB . 53021 1 14 . 1 . 1 3 3 SER N N 15 115.5900655 0.007857145418 . . . . . . . 3 SER N . 53021 1 15 . 1 . 1 4 4 SER H H 1 8.267387779 0.002447653529 . . . . . . . 4 SER H . 53021 1 16 . 1 . 1 4 4 SER HA H 1 4.38459019 0.01041885634 . . . . . . . 4 SER HA . 53021 1 17 . 1 . 1 4 4 SER HB2 H 1 3.793090781 0.01357286419 . . . . . . . 4 SER HB# . 53021 1 18 . 1 . 1 4 4 SER HB3 H 1 3.793090781 0.01357286419 . . . . . . . 4 SER HB# . 53021 1 19 . 1 . 1 4 4 SER C C 13 174.4134347 0.02297043937 . . . . . . . 4 SER C . 53021 1 20 . 1 . 1 4 4 SER CA C 13 58.42921008 0.141071207 . . . . . . . 4 SER CA . 53021 1 21 . 1 . 1 4 4 SER CB C 13 63.68861925 0.05814914713 . . . . . . . 4 SER CB . 53021 1 22 . 1 . 1 4 4 SER N N 15 117.2380536 0.01930444324 . . . . . . . 4 SER N . 53021 1 23 . 1 . 1 5 5 HIS H H 1 8.529260618 0.002290764251 . . . . . . . 5 HIS H . 53021 1 24 . 1 . 1 5 5 HIS HA H 1 4.721188858 0.02855571887 . . . . . . . 5 HIS HA . 53021 1 25 . 1 . 1 5 5 HIS HB2 H 1 3.179219706 0.0463205484 . . . . . . . 5 HIS HB2 . 53021 1 26 . 1 . 1 5 5 HIS HB3 H 1 3.062743728 0.007806949171 . . . . . . . 5 HIS HB3 . 53021 1 27 . 1 . 1 5 5 HIS C C 13 174.0583668 0.01919610615 . . . . . . . 5 HIS C . 53021 1 28 . 1 . 1 5 5 HIS CA C 13 55.28358174 0.07593802073 . . . . . . . 5 HIS CA . 53021 1 29 . 1 . 1 5 5 HIS CB C 13 29.17085519 0.08181397841 . . . . . . . 5 HIS CB . 53021 1 30 . 1 . 1 5 5 HIS N N 15 120.1733501 0.1039789677 . . . . . . . 5 HIS N . 53021 1 31 . 1 . 1 6 6 HIS H H 1 8.534262383 0.00399305289 . . . . . . . 6 HIS H . 53021 1 32 . 1 . 1 6 6 HIS HA H 1 4.672917339 0.03966662635 . . . . . . . 6 HIS HA . 53021 1 33 . 1 . 1 6 6 HIS HB2 H 1 3.197149285 0.007280401954 . . . . . . . 6 HIS HB2 . 53021 1 34 . 1 . 1 6 6 HIS HB3 H 1 3.069209917 0.001850366894 . . . . . . . 6 HIS HB3 . 53021 1 35 . 1 . 1 6 6 HIS C C 13 174.0844897 0.02764038982 . . . . . . . 6 HIS C . 53021 1 36 . 1 . 1 6 6 HIS CA C 13 55.27146016 0.0358667751 . . . . . . . 6 HIS CA . 53021 1 37 . 1 . 1 6 6 HIS CB C 13 29.23216368 0.06763103698 . . . . . . . 6 HIS CB . 53021 1 38 . 1 . 1 6 6 HIS N N 15 119.404755 0.0000030 . . . . . . . 6 HIS N . 53021 1 39 . 1 . 1 7 7 HIS H H 1 8.710705356 0.003356010725 . . . . . . . 7 HIS H . 53021 1 40 . 1 . 1 7 7 HIS HA H 1 4.716297062 0.02907752046 . . . . . . . 7 HIS HA . 53021 1 41 . 1 . 1 7 7 HIS HB2 H 1 3.144165301 0.008349875769 . . . . . . . 7 HIS HB# . 53021 1 42 . 1 . 1 7 7 HIS HB3 H 1 3.144165301 0.008349875769 . . . . . . . 7 HIS HB# . 53021 1 43 . 1 . 1 7 7 HIS C C 13 174.089497 0.04115528173 . . . . . . . 7 HIS C . 53021 1 44 . 1 . 1 7 7 HIS CA C 13 55.33216653 0.0282945286 . . . . . . . 7 HIS CA . 53021 1 45 . 1 . 1 7 7 HIS CB C 13 29.41518936 0.05782492225 . . . . . . . 7 HIS CB . 53021 1 46 . 1 . 1 7 7 HIS N N 15 120.0832464 0.01707021121 . . . . . . . 7 HIS N . 53021 1 47 . 1 . 1 8 8 HIS H H 1 8.777487957 0.007643647693 . . . . . . . 8 HIS H . 53021 1 48 . 1 . 1 8 8 HIS HA H 1 4.724234632 0.02518681482 . . . . . . . 8 HIS HA . 53021 1 49 . 1 . 1 8 8 HIS HB2 H 1 3.168802937 0.0001889820886 . . . . . . . 8 HIS HB# . 53021 1 50 . 1 . 1 8 8 HIS HB3 H 1 3.168802937 0.0001889820886 . . . . . . . 8 HIS HB# . 53021 1 51 . 1 . 1 8 8 HIS C C 13 174.1168159 0.02188083525 . . . . . . . 8 HIS C . 53021 1 52 . 1 . 1 8 8 HIS CA C 13 55.41075519 0.05265897586 . . . . . . . 8 HIS CA . 53021 1 53 . 1 . 1 8 8 HIS CB C 13 29.35220395 0.07119546802 . . . . . . . 8 HIS CB . 53021 1 54 . 1 . 1 8 8 HIS N N 15 120.3778731 0.1633390565 . . . . . . . 8 HIS N . 53021 1 55 . 1 . 1 9 9 HIS H H 1 8.788296225 0.005907371756 . . . . . . . 9 HIS H . 53021 1 56 . 1 . 1 9 9 HIS HA H 1 4.752552929 0.003845716069 . . . . . . . 9 HIS HA . 53021 1 57 . 1 . 1 9 9 HIS HB2 H 1 3.185306603 0.003674691197 . . . . . . . 9 HIS HB# . 53021 1 58 . 1 . 1 9 9 HIS HB3 H 1 3.185306603 0.003674691197 . . . . . . . 9 HIS HB# . 53021 1 59 . 1 . 1 9 9 HIS CA C 13 55.48660977 0.06214419567 . . . . . . . 9 HIS CA . 53021 1 60 . 1 . 1 9 9 HIS CB C 13 29.44605882 0.01204088113 . . . . . . . 9 HIS CB . 53021 1 61 . 1 . 1 9 9 HIS N N 15 120.6985486 0.0976989035 . . . . . . . 9 HIS N . 53021 1 62 . 1 . 1 10 10 HIS H H 1 8.770132658 0.005483121583 . . . . . . . 10 HIS H . 53021 1 63 . 1 . 1 10 10 HIS HA H 1 4.741451824 0.01973269679 . . . . . . . 10 HIS HA . 53021 1 64 . 1 . 1 10 10 HIS HB2 H 1 3.234793484 0.03938506843 . . . . . . . 10 HIS HB# . 53021 1 65 . 1 . 1 10 10 HIS HB3 H 1 3.234793484 0.03938506843 . . . . . . . 10 HIS HB# . 53021 1 66 . 1 . 1 10 10 HIS C C 13 174.6168175 0.01245218146 . . . . . . . 10 HIS C . 53021 1 67 . 1 . 1 10 10 HIS CA C 13 55.56064533 0.0285372104 . . . . . . . 10 HIS CA . 53021 1 68 . 1 . 1 10 10 HIS CB C 13 29.44308187 0.03599483177 . . . . . . . 10 HIS CB . 53021 1 69 . 1 . 1 10 10 HIS N N 15 121.3556266 0.1122019915 . . . . . . . 10 HIS N . 53021 1 70 . 1 . 1 11 11 GLY H H 1 8.57311695 0.003526890061 . . . . . . . 11 GLY H . 53021 1 71 . 1 . 1 11 11 GLY HA2 H 1 4.756220714 0.004811650994 . . . . . . . 11 GLY HA2 . 53021 1 72 . 1 . 1 11 11 GLY HA3 H 1 4.004910181 0.009859686095 . . . . . . . 11 GLY HA3 . 53021 1 73 . 1 . 1 11 11 GLY C C 13 173.9099412 0.04771933088 . . . . . . . 11 GLY C . 53021 1 74 . 1 . 1 11 11 GLY CA C 13 45.27137109 0.09409559906 . . . . . . . 11 GLY CA . 53021 1 75 . 1 . 1 11 11 GLY N N 15 110.8634615 0.09053787579 . . . . . . . 11 GLY N . 53021 1 76 . 1 . 1 12 12 SER H H 1 8.410152047 0.001784202426 . . . . . . . 12 SER H . 53021 1 77 . 1 . 1 12 12 SER HA H 1 4.73557875 0.01935673921 . . . . . . . 12 SER HA . 53021 1 78 . 1 . 1 12 12 SER HB2 H 1 4.486007656 0.004097656899 . . . . . . . 12 SER HB2 . 53021 1 79 . 1 . 1 12 12 SER HB3 H 1 3.89332008 0.0006247863181 . . . . . . . 12 SER HB3 . 53021 1 80 . 1 . 1 12 12 SER C C 13 175.0307746 0.01920295093 . . . . . . . 12 SER C . 53021 1 81 . 1 . 1 12 12 SER CA C 13 58.49957563 0.004167516444 . . . . . . . 12 SER CA . 53021 1 82 . 1 . 1 12 12 SER CB C 13 64.05960037 0.01418550234 . . . . . . . 12 SER CB . 53021 1 83 . 1 . 1 12 12 SER N N 15 115.8829205 0.01644016774 . . . . . . . 12 SER N . 53021 1 84 . 1 . 1 13 13 GLY H H 1 8.51889413 0.005074836136 . . . . . . . 13 GLY H . 53021 1 85 . 1 . 1 13 13 GLY HA2 H 1 3.952498802 0.002925643766 . . . . . . . 13 GLY HA# . 53021 1 86 . 1 . 1 13 13 GLY HA3 H 1 3.952498802 0.002925643766 . . . . . . . 13 GLY HA# . 53021 1 87 . 1 . 1 13 13 GLY C C 13 173.7939849 0.01856260333 . . . . . . . 13 GLY C . 53021 1 88 . 1 . 1 13 13 GLY CA C 13 45.33158419 0.04090565638 . . . . . . . 13 GLY CA . 53021 1 89 . 1 . 1 13 13 GLY N N 15 110.882284 0.0000013 . . . . . . . 13 GLY N . 53021 1 90 . 1 . 1 14 14 LEU H H 1 8.106564586 0.001755748266 . . . . . . . 14 LEU H . 53021 1 91 . 1 . 1 14 14 LEU HA H 1 4.357282962 0.003597215922 . . . . . . . 14 LEU HA . 53021 1 92 . 1 . 1 14 14 LEU HB2 H 1 1.571753386 0.01309525407 . . . . . . . 14 LEU HB2 . 53021 1 93 . 1 . 1 14 14 LEU HB3 H 1 1.545189258 0.01107661621 . . . . . . . 14 LEU HB3 . 53021 1 94 . 1 . 1 14 14 LEU HG H 1 1.567779006 0.009745509859 . . . . . . . 14 LEU HG . 53021 1 95 . 1 . 1 14 14 LEU HD11 H 1 0.8840668688 . . . . . . . . 14 LEU HD1# . 53021 1 96 . 1 . 1 14 14 LEU HD12 H 1 0.8840668688 . . . . . . . . 14 LEU HD1# . 53021 1 97 . 1 . 1 14 14 LEU HD13 H 1 0.8840668688 . . . . . . . . 14 LEU HD1# . 53021 1 98 . 1 . 1 14 14 LEU HD21 H 1 0.8269650999 . . . . . . . . 14 LEU HD2# . 53021 1 99 . 1 . 1 14 14 LEU HD22 H 1 0.8269650999 . . . . . . . . 14 LEU HD2# . 53021 1 100 . 1 . 1 14 14 LEU HD23 H 1 0.8269650999 . . . . . . . . 14 LEU HD2# . 53021 1 101 . 1 . 1 14 14 LEU C C 13 177.0719129 0.04178968775 . . . . . . . 14 LEU C . 53021 1 102 . 1 . 1 14 14 LEU CA C 13 55.08387947 0.03910548944 . . . . . . . 14 LEU CA . 53021 1 103 . 1 . 1 14 14 LEU CB C 13 42.33113892 0.1922869753 . . . . . . . 14 LEU CB . 53021 1 104 . 1 . 1 14 14 LEU CG C 13 27.62414786 . . . . . . . . 14 LEU CG . 53021 1 105 . 1 . 1 14 14 LEU CD1 C 13 25.54133333 0.6486526206 . . . . . . . 14 LEU CD# . 53021 1 106 . 1 . 1 14 14 LEU CD2 C 13 25.54133333 0.6486526206 . . . . . . . 14 LEU CD# . 53021 1 107 . 1 . 1 14 14 LEU N N 15 121.7250651 0.02106770901 . . . . . . . 14 LEU N . 53021 1 108 . 1 . 1 15 15 VAL H H 1 8.136948433 0.001852788818 . . . . . . . 15 VAL H . 53021 1 109 . 1 . 1 15 15 VAL HA H 1 4.396908378 0.002885853257 . . . . . . . 15 VAL HA . 53021 1 110 . 1 . 1 15 15 VAL HB H 1 2.047088089 0.002288118287 . . . . . . . 15 VAL HB . 53021 1 111 . 1 . 1 15 15 VAL HG11 H 1 0.933563372 . . . . . . . . 15 VAL HG1# . 53021 1 112 . 1 . 1 15 15 VAL HG12 H 1 0.933563372 . . . . . . . . 15 VAL HG1# . 53021 1 113 . 1 . 1 15 15 VAL HG13 H 1 0.933563372 . . . . . . . . 15 VAL HG1# . 53021 1 114 . 1 . 1 15 15 VAL HG21 H 1 0.9106965617 0.003125090029 . . . . . . . 15 VAL HG2# . 53021 1 115 . 1 . 1 15 15 VAL HG22 H 1 0.9106965617 0.003125090029 . . . . . . . 15 VAL HG2# . 53021 1 116 . 1 . 1 15 15 VAL HG23 H 1 0.9106965617 0.003125090029 . . . . . . . 15 VAL HG2# . 53021 1 117 . 1 . 1 15 15 VAL C C 13 174.3191671 0 . . . . . . . 15 VAL C . 53021 1 118 . 1 . 1 15 15 VAL CA C 13 59.82874001 0.004916106648 . . . . . . . 15 VAL CA . 53021 1 119 . 1 . 1 15 15 VAL CB C 13 32.77190366 0.0001179890165 . . . . . . . 15 VAL CB . 53021 1 120 . 1 . 1 15 15 VAL CG1 C 13 21.51866927 0.01866926865 . . . . . . . 15 VAL CG# . 53021 1 121 . 1 . 1 15 15 VAL CG2 C 13 21.51866927 0.01866926865 . . . . . . . 15 VAL CG# . 53021 1 122 . 1 . 1 15 15 VAL N N 15 122.9044777 0.01441443178 . . . . . . . 15 VAL N . 53021 1 123 . 1 . 1 17 17 ARG H H 1 8.452715444 0.002623856053 . . . . . . . 17 ARG H . 53021 1 124 . 1 . 1 17 17 ARG HA H 1 4.309340041 0.005146134003 . . . . . . . 17 ARG HA . 53021 1 125 . 1 . 1 17 17 ARG HB2 H 1 1.832608315 0.01470167915 . . . . . . . 17 ARG HB2 . 53021 1 126 . 1 . 1 17 17 ARG HB3 H 1 1.793959689 . . . . . . . . 17 ARG HB3 . 53021 1 127 . 1 . 1 17 17 ARG HG2 H 1 1.690681581 0.005881398925 . . . . . . . 17 ARG HG2 . 53021 1 128 . 1 . 1 17 17 ARG HG3 H 1 1.655871311 . . . . . . . . 17 ARG HG3 . 53021 1 129 . 1 . 1 17 17 ARG HD2 H 1 3.20505065 0.002261317984 . . . . . . . 17 ARG HD2 . 53021 1 130 . 1 . 1 17 17 ARG HD3 H 1 3.157435631 . . . . . . . . 17 ARG HD3 . 53021 1 131 . 1 . 1 17 17 ARG C C 13 177.0120837 0.01175942493 . . . . . . . 17 ARG C . 53021 1 132 . 1 . 1 17 17 ARG CA C 13 56.53422565 0.04993537887 . . . . . . . 17 ARG CA . 53021 1 133 . 1 . 1 17 17 ARG CB C 13 30.89497907 0.09978693915 . . . . . . . 17 ARG CB . 53021 1 134 . 1 . 1 17 17 ARG CG C 13 27.8292607 0 . . . . . . . 17 ARG CG . 53021 1 135 . 1 . 1 17 17 ARG CD C 13 43 . . . . . . . . 17 ARG CD . 53021 1 136 . 1 . 1 17 17 ARG N N 15 121.8278103 0.1044038414 . . . . . . . 17 ARG N . 53021 1 137 . 1 . 1 18 18 GLY H H 1 8.479319708 0.001607418613 . . . . . . . 18 GLY H . 53021 1 138 . 1 . 1 18 18 GLY HA2 H 1 3.974707221 0.01875240816 . . . . . . . 18 GLY HA# . 53021 1 139 . 1 . 1 18 18 GLY HA3 H 1 3.974707221 0.01875240816 . . . . . . . 18 GLY HA# . 53021 1 140 . 1 . 1 18 18 GLY C C 13 174.211355 0.01944113774 . . . . . . . 18 GLY C . 53021 1 141 . 1 . 1 18 18 GLY CA C 13 45.35493589 0.03712273155 . . . . . . . 18 GLY CA . 53021 1 142 . 1 . 1 18 18 GLY N N 15 110.4421174 0.0121388179 . . . . . . . 18 GLY N . 53021 1 143 . 1 . 1 19 19 SER H H 1 8.217672748 0.004718212526 . . . . . . . 19 SER H . 53021 1 144 . 1 . 1 19 19 SER HA H 1 4.423385374 0.02153695376 . . . . . . . 19 SER HA . 53021 1 145 . 1 . 1 19 19 SER HB2 H 1 3.870508047 0.005304619294 . . . . . . . 19 SER HB# . 53021 1 146 . 1 . 1 19 19 SER HB3 H 1 3.870508047 0.005304619294 . . . . . . . 19 SER HB# . 53021 1 147 . 1 . 1 19 19 SER C C 13 174.541647 0.03262971793 . . . . . . . 19 SER C . 53021 1 148 . 1 . 1 19 19 SER CA C 13 58.49639147 0.03547706146 . . . . . . . 19 SER CA . 53021 1 149 . 1 . 1 19 19 SER CB C 13 63.8292141 0.1247835444 . . . . . . . 19 SER CB . 53021 1 150 . 1 . 1 19 19 SER N N 15 115.7177222 0.01171563136 . . . . . . . 19 SER N . 53021 1 151 . 1 . 1 20 20 ALA H H 1 8.397848749 0.001580162994 . . . . . . . 20 ALA H . 53021 1 152 . 1 . 1 20 20 ALA HA H 1 4.367467977 0.001143789414 . . . . . . . 20 ALA HA . 53021 1 153 . 1 . 1 20 20 ALA HB1 H 1 1.404838427 0.004999093538 . . . . . . . 20 ALA HB# . 53021 1 154 . 1 . 1 20 20 ALA HB2 H 1 1.404838427 0.004999093538 . . . . . . . 20 ALA HB# . 53021 1 155 . 1 . 1 20 20 ALA HB3 H 1 1.404838427 0.004999093538 . . . . . . . 20 ALA HB# . 53021 1 156 . 1 . 1 20 20 ALA C C 13 177.7351696 0.0374750574 . . . . . . . 20 ALA C . 53021 1 157 . 1 . 1 20 20 ALA CA C 13 52.83908733 0.04054489987 . . . . . . . 20 ALA CA . 53021 1 158 . 1 . 1 20 20 ALA CB C 13 19.36449065 0.07659541097 . . . . . . . 20 ALA CB . 53021 1 159 . 1 . 1 20 20 ALA N N 15 125.8195242 0.009783408803 . . . . . . . 20 ALA N . 53021 1 160 . 1 . 1 21 21 SER H H 1 8.234246578 0.004252622791 . . . . . . . 21 SER H . 53021 1 161 . 1 . 1 21 21 SER HA H 1 4.430492998 0.007026866835 . . . . . . . 21 SER HA . 53021 1 162 . 1 . 1 21 21 SER HB2 H 1 3.850144512 0.006572566529 . . . . . . . 21 SER HB# . 53021 1 163 . 1 . 1 21 21 SER HB3 H 1 3.850144512 0.006572566529 . . . . . . . 21 SER HB# . 53021 1 164 . 1 . 1 21 21 SER C C 13 174.7109842 0.02991171683 . . . . . . . 21 SER C . 53021 1 165 . 1 . 1 21 21 SER CA C 13 58.42688255 0.05183054221 . . . . . . . 21 SER CA . 53021 1 166 . 1 . 1 21 21 SER CB C 13 63.78206137 0.01536911292 . . . . . . . 21 SER CB . 53021 1 167 . 1 . 1 21 21 SER N N 15 114.5735064 0.006579538931 . . . . . . . 21 SER N . 53021 1 168 . 1 . 1 22 22 MET H H 1 8.34371516 0.001761350559 . . . . . . . 22 MET H . 53021 1 169 . 1 . 1 22 22 MET HA H 1 4.525529358 0.005879571953 . . . . . . . 22 MET HA . 53021 1 170 . 1 . 1 22 22 MET HB2 H 1 2.128740372 0.003463746274 . . . . . . . 22 MET HB2 . 53021 1 171 . 1 . 1 22 22 MET HB3 H 1 2.025760091 0.01316847773 . . . . . . . 22 MET HB3 . 53021 1 172 . 1 . 1 22 22 MET HG2 H 1 2.608522842 0.0004380481235 . . . . . . . 22 MET HG2 . 53021 1 173 . 1 . 1 22 22 MET HG3 H 1 2.541316767 0.01508038287 . . . . . . . 22 MET HG3 . 53021 1 174 . 1 . 1 22 22 MET C C 13 176.3529495 0.003369448374 . . . . . . . 22 MET C . 53021 1 175 . 1 . 1 22 22 MET CA C 13 55.77876383 0.02543865603 . . . . . . . 22 MET CA . 53021 1 176 . 1 . 1 22 22 MET CB C 13 33.03589799 0.05291120933 . . . . . . . 22 MET CB . 53021 1 177 . 1 . 1 22 22 MET CG C 13 32 0 . . . . . . . 22 MET CG . 53021 1 178 . 1 . 1 22 22 MET N N 15 122.1617493 0.01613675318 . . . . . . . 22 MET N . 53021 1 179 . 1 . 1 23 23 SER H H 1 8.288074647 0.002562400579 . . . . . . . 23 SER H . 53021 1 180 . 1 . 1 23 23 SER C C 13 174.4451205 0.02531901291 . . . . . . . 23 SER C . 53021 1 181 . 1 . 1 23 23 SER CA C 13 58.55296156 0.04355301614 . . . . . . . 23 SER CA . 53021 1 182 . 1 . 1 23 23 SER CB C 13 63.80685666 0.04734928934 . . . . . . . 23 SER CB . 53021 1 183 . 1 . 1 23 23 SER N N 15 116.3900402 0.007276407793 . . . . . . . 23 SER N . 53021 1 184 . 1 . 1 24 24 ASP H H 1 8.389899077 0.002417880044 . . . . . . . 24 ASP H . 53021 1 185 . 1 . 1 24 24 ASP HA H 1 4.679461903 0.01403292869 . . . . . . . 24 ASP HA . 53021 1 186 . 1 . 1 24 24 ASP HB2 H 1 2.747395055 0.008105906138 . . . . . . . 24 ASP HB# . 53021 1 187 . 1 . 1 24 24 ASP HB3 H 1 2.747395055 0.008105906138 . . . . . . . 24 ASP HB# . 53021 1 188 . 1 . 1 24 24 ASP C C 13 176.1639576 0.002121603652 . . . . . . . 24 ASP C . 53021 1 189 . 1 . 1 24 24 ASP CA C 13 54.41960044 0.06342904638 . . . . . . . 24 ASP CA . 53021 1 190 . 1 . 1 24 24 ASP CB C 13 40.3568399 0.05428573974 . . . . . . . 24 ASP CB . 53021 1 191 . 1 . 1 24 24 ASP N N 15 122.0365797 0.007232834265 . . . . . . . 24 ASP N . 53021 1 192 . 1 . 1 25 25 SER H H 1 8.207533859 0.002325123412 . . . . . . . 25 SER H . 53021 1 193 . 1 . 1 25 25 SER HA H 1 4.419259869 0.01247743485 . . . . . . . 25 SER HA . 53021 1 194 . 1 . 1 25 25 SER HB2 H 1 3.877813031 0.002315601638 . . . . . . . 25 SER HB# . 53021 1 195 . 1 . 1 25 25 SER HB3 H 1 3.877813031 0.002315601638 . . . . . . . 25 SER HB# . 53021 1 196 . 1 . 1 25 25 SER C C 13 174.0126122 0.5200273662 . . . . . . . 25 SER C . 53021 1 197 . 1 . 1 25 25 SER CA C 13 58.96447916 0.06692196574 . . . . . . . 25 SER CA . 53021 1 198 . 1 . 1 25 25 SER CB C 13 63.75026109 0.03956579399 . . . . . . . 25 SER CB . 53021 1 199 . 1 . 1 25 25 SER N N 15 115.5281689 0.08901846942 . . . . . . . 25 SER N . 53021 1 200 . 1 . 1 26 26 GLU H H 1 8.295308086 0.002365024245 . . . . . . . 26 GLU H . 53021 1 201 . 1 . 1 26 26 GLU HA H 1 4.352382485 0.00247824272 . . . . . . . 26 GLU HA . 53021 1 202 . 1 . 1 26 26 GLU HB2 H 1 1.98883593 . . . . . . . . 26 GLU HB2 . 53021 1 203 . 1 . 1 26 26 GLU HB3 H 1 2.102961078 0.006057885825 . . . . . . . 26 GLU HB3 . 53021 1 204 . 1 . 1 26 26 GLU HG2 H 1 2.362593253 0.001070147107 . . . . . . . 26 GLU HG# . 53021 1 205 . 1 . 1 26 26 GLU HG3 H 1 2.362593253 0.001070147107 . . . . . . . 26 GLU HG# . 53021 1 206 . 1 . 1 26 26 GLU C C 13 176.4316882 0.03245240892 . . . . . . . 26 GLU C . 53021 1 207 . 1 . 1 26 26 GLU CA C 13 56.55140981 0.01736292847 . . . . . . . 26 GLU CA . 53021 1 208 . 1 . 1 26 26 GLU CB C 13 29.51013358 0.1030971579 . . . . . . . 26 GLU CB . 53021 1 209 . 1 . 1 26 26 GLU CG C 13 34.75170428 . . . . . . . . 26 GLU CG . 53021 1 210 . 1 . 1 26 26 GLU N N 15 122.1840589 0.0732376051 . . . . . . . 26 GLU N . 53021 1 211 . 1 . 1 27 27 VAL H H 1 8.003899518 0.002254813816 . . . . . . . 27 VAL H . 53021 1 212 . 1 . 1 27 27 VAL HA H 1 4.064968289 0.004165732038 . . . . . . . 27 VAL HA . 53021 1 213 . 1 . 1 27 27 VAL HB H 1 2.052629379 0.008566382583 . . . . . . . 27 VAL HB . 53021 1 214 . 1 . 1 27 27 VAL HG11 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 215 . 1 . 1 27 27 VAL HG12 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 216 . 1 . 1 27 27 VAL HG13 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 217 . 1 . 1 27 27 VAL HG21 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 218 . 1 . 1 27 27 VAL HG22 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 219 . 1 . 1 27 27 VAL HG23 H 1 0.9122080412 0.003009050409 . . . . . . . 27 VAL HG# . 53021 1 220 . 1 . 1 27 27 VAL C C 13 175.993745 0.03186139377 . . . . . . . 27 VAL C . 53021 1 221 . 1 . 1 27 27 VAL CA C 13 62.74543242 0.03460304328 . . . . . . . 27 VAL CA . 53021 1 222 . 1 . 1 27 27 VAL CB C 13 32.70122224 0.05069037626 . . . . . . . 27 VAL CB . 53021 1 223 . 1 . 1 27 27 VAL CG1 C 13 20.62414786 0.624147859 . . . . . . . 27 VAL CG# . 53021 1 224 . 1 . 1 27 27 VAL CG2 C 13 20.62414786 0.624147859 . . . . . . . 27 VAL CG# . 53021 1 225 . 1 . 1 27 27 VAL N N 15 119.9458689 0.02123801651 . . . . . . . 27 VAL N . 53021 1 226 . 1 . 1 28 28 ASN H H 1 8.402937647 0.002159173629 . . . . . . . 28 ASN H . 53021 1 227 . 1 . 1 28 28 ASN HA H 1 4.694163799 0.001369110216 . . . . . . . 28 ASN HA . 53021 1 228 . 1 . 1 28 28 ASN HB2 H 1 2.809639554 0.01887870598 . . . . . . . 28 ASN HB# . 53021 1 229 . 1 . 1 28 28 ASN HB3 H 1 2.809639554 0.01887870598 . . . . . . . 28 ASN HB# . 53021 1 230 . 1 . 1 28 28 ASN C C 13 175.2646022 0.0294700537 . . . . . . . 28 ASN C . 53021 1 231 . 1 . 1 28 28 ASN CA C 13 53.48496673 0.07437070186 . . . . . . . 28 ASN CA . 53021 1 232 . 1 . 1 28 28 ASN CB C 13 38.96230023 0.04452600768 . . . . . . . 28 ASN CB . 53021 1 233 . 1 . 1 28 28 ASN N N 15 121.4832979 0 . . . . . . . 28 ASN N . 53021 1 234 . 1 . 1 29 29 GLN H H 1 8.338123816 0.001742634185 . . . . . . . 29 GLN H . 53021 1 235 . 1 . 1 29 29 GLN HA H 1 4.295444466 0.0008407613471 . . . . . . . 29 GLN HA . 53021 1 236 . 1 . 1 29 29 GLN HB2 H 1 1.97064555 0.002087938301 . . . . . . . 29 GLN HB2 . 53021 1 237 . 1 . 1 29 29 GLN HB3 H 1 2.129295075 0.003083425993 . . . . . . . 29 GLN HB3 . 53021 1 238 . 1 . 1 29 29 GLN HG2 H 1 2.352587311 0.003286785085 . . . . . . . 29 GLN HG# . 53021 1 239 . 1 . 1 29 29 GLN HG3 H 1 2.352587311 0.003286785085 . . . . . . . 29 GLN HG# . 53021 1 240 . 1 . 1 29 29 GLN C C 13 175.9384471 0.01907251909 . . . . . . . 29 GLN C . 53021 1 241 . 1 . 1 29 29 GLN CA C 13 56.20302713 0.03943641159 . . . . . . . 29 GLN CA . 53021 1 242 . 1 . 1 29 29 GLN CB C 13 29.47381502 0.04761024482 . . . . . . . 29 GLN CB . 53021 1 243 . 1 . 1 29 29 GLN CG C 13 34.49080302 . . . . . . . . 29 GLN CG . 53021 1 244 . 1 . 1 29 29 GLN N N 15 120.8576102 0.02087163763 . . . . . . . 29 GLN N . 53021 1 245 . 1 . 1 30 30 GLU H H 1 8.290212044 0.003084966126 . . . . . . . 30 GLU H . 53021 1 246 . 1 . 1 30 30 GLU HA H 1 4.284757054 0.006612101266 . . . . . . . 30 GLU HA . 53021 1 247 . 1 . 1 30 30 GLU HB2 H 1 2.114802525 0.1941772279 . . . . . . . 30 GLU HB# . 53021 1 248 . 1 . 1 30 30 GLU HB3 H 1 2.114802525 0.1941772279 . . . . . . . 30 GLU HB# . 53021 1 249 . 1 . 1 30 30 GLU HG2 H 1 2.364934163 0.0008071250719 . . . . . . . 30 GLU HG# . 53021 1 250 . 1 . 1 30 30 GLU HG3 H 1 2.364934163 0.0008071250719 . . . . . . . 30 GLU HG# . 53021 1 251 . 1 . 1 30 30 GLU C C 13 175.6905767 0.1099412446 . . . . . . . 30 GLU C . 53021 1 252 . 1 . 1 30 30 GLU CA C 13 56.1893993 0.03419812024 . . . . . . . 30 GLU CA . 53021 1 253 . 1 . 1 30 30 GLU CB C 13 29.73944388 0.1832390642 . . . . . . . 30 GLU CB . 53021 1 254 . 1 . 1 30 30 GLU CG C 13 35.37585214 . . . . . . . . 30 GLU CG . 53021 1 255 . 1 . 1 30 30 GLU N N 15 120.9063857 0.009423841223 . . . . . . . 30 GLU N . 53021 1 256 . 1 . 1 31 31 ALA H H 1 8.196087784 0.003071231529 . . . . . . . 31 ALA H . 53021 1 257 . 1 . 1 31 31 ALA HA H 1 4.288547598 0.001373738543 . . . . . . . 31 ALA HA . 53021 1 258 . 1 . 1 31 31 ALA HB1 H 1 1.364562081 0.009766801496 . . . . . . . 31 ALA HB# . 53021 1 259 . 1 . 1 31 31 ALA HB2 H 1 1.364562081 0.009766801496 . . . . . . . 31 ALA HB# . 53021 1 260 . 1 . 1 31 31 ALA HB3 H 1 1.364562081 0.009766801496 . . . . . . . 31 ALA HB# . 53021 1 261 . 1 . 1 31 31 ALA C C 13 177.2214879 0.03577568676 . . . . . . . 31 ALA C . 53021 1 262 . 1 . 1 31 31 ALA CA C 13 52.44531999 0.06318009005 . . . . . . . 31 ALA CA . 53021 1 263 . 1 . 1 31 31 ALA CB C 13 19.34047184 0.1219589679 . . . . . . . 31 ALA CB . 53021 1 264 . 1 . 1 31 31 ALA N N 15 124.9263754 0.007456552797 . . . . . . . 31 ALA N . 53021 1 265 . 1 . 1 32 32 LYS H H 1 8.217462823 0.002046522773 . . . . . . . 32 LYS H . 53021 1 266 . 1 . 1 32 32 LYS HA H 1 4.592525577 0.01064895863 . . . . . . . 32 LYS HA . 53021 1 267 . 1 . 1 32 32 LYS HB2 H 1 1.8265543 0.002068812351 . . . . . . . 32 LYS HB# . 53021 1 268 . 1 . 1 32 32 LYS HB3 H 1 1.8265543 0.002068812351 . . . . . . . 32 LYS HB# . 53021 1 269 . 1 . 1 32 32 LYS HG2 H 1 1.458948979 0.008251755665 . . . . . . . 32 LYS HG2 . 53021 1 270 . 1 . 1 32 32 LYS HG3 H 1 1.421638333 . . . . . . . . 32 LYS HG3 . 53021 1 271 . 1 . 1 32 32 LYS HD2 H 1 1.703263792 0.005590979531 . . . . . . . 32 LYS HD# . 53021 1 272 . 1 . 1 32 32 LYS HD3 H 1 1.703263792 0.005590979531 . . . . . . . 32 LYS HD# . 53021 1 273 . 1 . 1 32 32 LYS HE2 H 1 2.995385841 0.001604132861 . . . . . . . 32 LYS HE# . 53021 1 274 . 1 . 1 32 32 LYS HE3 H 1 2.995385841 0.001604132861 . . . . . . . 32 LYS HE# . 53021 1 275 . 1 . 1 32 32 LYS C C 13 174.3956239 0 . . . . . . . 32 LYS C . 53021 1 276 . 1 . 1 32 32 LYS CA C 13 54.14073182 0.02673195338 . . . . . . . 32 LYS CA . 53021 1 277 . 1 . 1 32 32 LYS CB C 13 32.6506695 0.000233695454 . . . . . . . 32 LYS CB . 53021 1 278 . 1 . 1 32 32 LYS CG C 13 24.53707783 . . . . . . . . 32 LYS CG . 53021 1 279 . 1 . 1 32 32 LYS CE C 13 42 0 . . . . . . . 32 LYS CE . 53021 1 280 . 1 . 1 32 32 LYS N N 15 121.8444207 0.02359947495 . . . . . . . 32 LYS N . 53021 1 281 . 1 . 1 34 34 GLU H H 1 8.478924097 0.002854331028 . . . . . . . 34 GLU H . 53021 1 282 . 1 . 1 34 34 GLU HA H 1 4.308543153 . . . . . . . . 34 GLU HA . 53021 1 283 . 1 . 1 34 34 GLU C C 13 176.142465 0.02254014684 . . . . . . . 34 GLU C . 53021 1 284 . 1 . 1 34 34 GLU CA C 13 56.15615753 0.0917836187 . . . . . . . 34 GLU CA . 53021 1 285 . 1 . 1 34 34 GLU CB C 13 29.9167866 0.1342698976 . . . . . . . 34 GLU CB . 53021 1 286 . 1 . 1 34 34 GLU N N 15 121.2634744 0.0000023 . . . . . . . 34 GLU N . 53021 1 287 . 1 . 1 35 35 VAL H H 1 8.208803727 0.003945559 . . . . . . . 35 VAL H . 53021 1 288 . 1 . 1 35 35 VAL HA H 1 4.082488906 . . . . . . . . 35 VAL HA . 53021 1 289 . 1 . 1 35 35 VAL C C 13 175.6693902 0.06129236095 . . . . . . . 35 VAL C . 53021 1 290 . 1 . 1 35 35 VAL CA C 13 62.22346654 0.05055466995 . . . . . . . 35 VAL CA . 53021 1 291 . 1 . 1 35 35 VAL CB C 13 32.73960888 0.03858506691 . . . . . . . 35 VAL CB . 53021 1 292 . 1 . 1 35 35 VAL N N 15 122.4054627 0.04582538113 . . . . . . . 35 VAL N . 53021 1 293 . 1 . 1 36 36 LYS H H 1 8.402101806 0.008157324983 . . . . . . . 36 LYS H . 53021 1 294 . 1 . 1 36 36 LYS C C 13 174.2866988 0 . . . . . . . 36 LYS C . 53021 1 295 . 1 . 1 36 36 LYS CA C 13 54.14896268 0.08893682566 . . . . . . . 36 LYS CA . 53021 1 296 . 1 . 1 36 36 LYS N N 15 126.6686291 0.002286243978 . . . . . . . 36 LYS N . 53021 1 297 . 1 . 1 42 42 GLU H H 1 8.556084358 0.004520651904 . . . . . . . 42 GLU H . 53021 1 298 . 1 . 1 42 42 GLU HA H 1 4.42549808 0.00556032678 . . . . . . . 42 GLU HA . 53021 1 299 . 1 . 1 42 42 GLU HB2 H 1 1.978891597 0.0222554002 . . . . . . . 42 GLU HB2 . 53021 1 300 . 1 . 1 42 42 GLU HB3 H 1 2.090046582 0.004725935053 . . . . . . . 42 GLU HB3 . 53021 1 301 . 1 . 1 42 42 GLU HG2 H 1 2.352864482 0.007305940946 . . . . . . . 42 GLU HG# . 53021 1 302 . 1 . 1 42 42 GLU HG3 H 1 2.352864482 0.007305940946 . . . . . . . 42 GLU HG# . 53021 1 303 . 1 . 1 42 42 GLU CA C 13 56.13750328 0.05626122573 . . . . . . . 42 GLU CA . 53021 1 304 . 1 . 1 42 42 GLU CB C 13 30.30707951 0.04509474445 . . . . . . . 42 GLU CB . 53021 1 305 . 1 . 1 42 42 GLU CG C 13 34.22755642 . . . . . . . . 42 GLU CG . 53021 1 306 . 1 . 1 42 42 GLU N N 15 121.5823127 0.05523423914 . . . . . . . 42 GLU N . 53021 1 307 . 1 . 1 43 43 THR H H 1 8.351297337 0.006775290752 . . . . . . . 43 THR H . 53021 1 308 . 1 . 1 43 43 THR HA H 1 4.770908516 0.01803353895 . . . . . . . 43 THR HA . 53021 1 309 . 1 . 1 43 43 THR HB H 1 4.323217385 0.00759073036 . . . . . . . 43 THR HB . 53021 1 310 . 1 . 1 43 43 THR HG21 H 1 1.215951833 0.007241931439 . . . . . . . 43 THR HG2# . 53021 1 311 . 1 . 1 43 43 THR HG22 H 1 1.215951833 0.007241931439 . . . . . . . 43 THR HG2# . 53021 1 312 . 1 . 1 43 43 THR HG23 H 1 1.215951833 0.007241931439 . . . . . . . 43 THR HG2# . 53021 1 313 . 1 . 1 43 43 THR C C 13 174.5827547 0.01062129483 . . . . . . . 43 THR C . 53021 1 314 . 1 . 1 43 43 THR CA C 13 62.29967598 0.2279027975 . . . . . . . 43 THR CA . 53021 1 315 . 1 . 1 43 43 THR CB C 13 70.1475046 0.04126993147 . . . . . . . 43 THR CB . 53021 1 316 . 1 . 1 43 43 THR CG2 C 13 20.6105136 0 . . . . . . . 43 THR CG2 . 53021 1 317 . 1 . 1 43 43 THR N N 15 115.1934655 0.02089371497 . . . . . . . 43 THR N . 53021 1 318 . 1 . 1 44 44 HIS H H 1 8.58340566 0.005641938598 . . . . . . . 44 HIS H . 53021 1 319 . 1 . 1 44 44 HIS HA H 1 5.113153917 0.005305576668 . . . . . . . 44 HIS HA . 53021 1 320 . 1 . 1 44 44 HIS HB2 H 1 3.011427163 0.006241827858 . . . . . . . 44 HIS HB2 . 53021 1 321 . 1 . 1 44 44 HIS HB3 H 1 2.899047044 0.006800911103 . . . . . . . 44 HIS HB3 . 53021 1 322 . 1 . 1 44 44 HIS C C 13 173.113692 0.003351406402 . . . . . . . 44 HIS C . 53021 1 323 . 1 . 1 44 44 HIS CA C 13 55.50524842 0.2130555275 . . . . . . . 44 HIS CA . 53021 1 324 . 1 . 1 44 44 HIS CB C 13 31.22354495 0.133154871 . . . . . . . 44 HIS CB . 53021 1 325 . 1 . 1 44 44 HIS N N 15 120.0570501 0.05413737684 . . . . . . . 44 HIS N . 53021 1 326 . 1 . 1 45 45 ILE H H 1 9.101464385 0.004390388218 . . . . . . . 45 ILE H . 53021 1 327 . 1 . 1 45 45 ILE HA H 1 4.701065371 0.00641908194 . . . . . . . 45 ILE HA . 53021 1 328 . 1 . 1 45 45 ILE HB H 1 1.591771921 0.006827559399 . . . . . . . 45 ILE HB . 53021 1 329 . 1 . 1 45 45 ILE HG12 H 1 1.403875727 0.003876035941 . . . . . . . 45 ILE HG1# . 53021 1 330 . 1 . 1 45 45 ILE HG13 H 1 1.403875727 0.003876035941 . . . . . . . 45 ILE HG1# . 53021 1 331 . 1 . 1 45 45 ILE HG21 H 1 0.7130783478 0.01005592775 . . . . . . . 45 ILE HG2# . 53021 1 332 . 1 . 1 45 45 ILE HG22 H 1 0.7130783478 0.01005592775 . . . . . . . 45 ILE HG2# . 53021 1 333 . 1 . 1 45 45 ILE HG23 H 1 0.7130783478 0.01005592775 . . . . . . . 45 ILE HG2# . 53021 1 334 . 1 . 1 45 45 ILE HD11 H 1 0.5221080154 0.00342378355 . . . . . . . 45 ILE HD1# . 53021 1 335 . 1 . 1 45 45 ILE HD12 H 1 0.5221080154 0.00342378355 . . . . . . . 45 ILE HD1# . 53021 1 336 . 1 . 1 45 45 ILE HD13 H 1 0.5221080154 0.00342378355 . . . . . . . 45 ILE HD1# . 53021 1 337 . 1 . 1 45 45 ILE C C 13 172.6029232 0.01533748136 . . . . . . . 45 ILE C . 53021 1 338 . 1 . 1 45 45 ILE CA C 13 59.7202945 0.08468148711 . . . . . . . 45 ILE CA . 53021 1 339 . 1 . 1 45 45 ILE CB C 13 42.1050741 0.01800020634 . . . . . . . 45 ILE CB . 53021 1 340 . 1 . 1 45 45 ILE CG1 C 13 26.75170428 0 . . . . . . . 45 ILE CG1 . 53021 1 341 . 1 . 1 45 45 ILE CG2 C 13 16.78440483 0.0574417385 . . . . . . . 45 ILE CG2 . 53021 1 342 . 1 . 1 45 45 ILE CD1 C 13 14.3810361 0.2050149353 . . . . . . . 45 ILE CD1 . 53021 1 343 . 1 . 1 45 45 ILE N N 15 117.3092172 0.03387831369 . . . . . . . 45 ILE N . 53021 1 344 . 1 . 1 46 46 ASN H H 1 8.850808941 0.008906304538 . . . . . . . 46 ASN H . 53021 1 345 . 1 . 1 46 46 ASN HA H 1 5.555278253 0.01187852437 . . . . . . . 46 ASN HA . 53021 1 346 . 1 . 1 46 46 ASN HB2 H 1 2.793527942 0.009305456859 . . . . . . . 46 ASN HB2 . 53021 1 347 . 1 . 1 46 46 ASN HB3 H 1 2.627703933 0.0177662757 . . . . . . . 46 ASN HB3 . 53021 1 348 . 1 . 1 46 46 ASN CA C 13 52.20406287 0.1126483323 . . . . . . . 46 ASN CA . 53021 1 349 . 1 . 1 46 46 ASN CB C 13 40.5644225 0.1368958185 . . . . . . . 46 ASN CB . 53021 1 350 . 1 . 1 46 46 ASN N N 15 123.102923 0.03133001258 . . . . . . . 46 ASN N . 53021 1 351 . 1 . 1 47 47 LEU H H 1 9.061325559 0.004373638807 . . . . . . . 47 LEU H . 53021 1 352 . 1 . 1 47 47 LEU HA H 1 5.07120624 0.004075417924 . . . . . . . 47 LEU HA . 53021 1 353 . 1 . 1 47 47 LEU HB2 H 1 1.461273063 0.005899699903 . . . . . . . 47 LEU HB# . 53021 1 354 . 1 . 1 47 47 LEU HB3 H 1 1.461273063 0.005899699903 . . . . . . . 47 LEU HB# . 53021 1 355 . 1 . 1 47 47 LEU HG H 1 1.190147342 0.01000902837 . . . . . . . 47 LEU HG . 53021 1 356 . 1 . 1 47 47 LEU HD11 H 1 0.8998658794 0.004506580403 . . . . . . . 47 LEU HD1# . 53021 1 357 . 1 . 1 47 47 LEU HD12 H 1 0.8998658794 0.004506580403 . . . . . . . 47 LEU HD1# . 53021 1 358 . 1 . 1 47 47 LEU HD13 H 1 0.8998658794 0.004506580403 . . . . . . . 47 LEU HD1# . 53021 1 359 . 1 . 1 47 47 LEU HD21 H 1 0.653481121 0.007611454394 . . . . . . . 47 LEU HD2# . 53021 1 360 . 1 . 1 47 47 LEU HD22 H 1 0.653481121 0.007611454394 . . . . . . . 47 LEU HD2# . 53021 1 361 . 1 . 1 47 47 LEU HD23 H 1 0.653481121 0.007611454394 . . . . . . . 47 LEU HD2# . 53021 1 362 . 1 . 1 47 47 LEU C C 13 175.0417018 0.04652611557 . . . . . . . 47 LEU C . 53021 1 363 . 1 . 1 47 47 LEU CA C 13 53.21830772 0.04642690927 . . . . . . . 47 LEU CA . 53021 1 364 . 1 . 1 47 47 LEU CB C 13 47.05963599 0.2776857733 . . . . . . . 47 LEU CB . 53021 1 365 . 1 . 1 47 47 LEU CG C 13 27.24829572 0 . . . . . . . 47 LEU CG . 53021 1 366 . 1 . 1 47 47 LEU CD1 C 13 24.61379878 0.01195009107 . . . . . . . 47 LEU CD1 . 53021 1 367 . 1 . 1 47 47 LEU CD2 C 13 27.1207393 0 . . . . . . . 47 LEU CD2 . 53021 1 368 . 1 . 1 47 47 LEU N N 15 123.5004816 0.02692291699 . . . . . . . 47 LEU N . 53021 1 369 . 1 . 1 48 48 LYS H H 1 8.453094504 0.003588865229 . . . . . . . 48 LYS H . 53021 1 370 . 1 . 1 48 48 LYS HA H 1 4.90441703 0.009271717921 . . . . . . . 48 LYS HA . 53021 1 371 . 1 . 1 48 48 LYS HB2 H 1 1.405285479 0.008253377538 . . . . . . . 48 LYS HB# . 53021 1 372 . 1 . 1 48 48 LYS HB3 H 1 1.405285479 0.008253377538 . . . . . . . 48 LYS HB# . 53021 1 373 . 1 . 1 48 48 LYS HG2 H 1 0.7711451987 0.01258292428 . . . . . . . 48 LYS HG# . 53021 1 374 . 1 . 1 48 48 LYS HG3 H 1 0.7711451987 0.01258292428 . . . . . . . 48 LYS HG# . 53021 1 375 . 1 . 1 48 48 LYS HD2 H 1 1.429279565 0.01094868848 . . . . . . . 48 LYS HD# . 53021 1 376 . 1 . 1 48 48 LYS HD3 H 1 1.429279565 0.01094868848 . . . . . . . 48 LYS HD# . 53021 1 377 . 1 . 1 48 48 LYS HE2 H 1 2.685131002 0.00322795585 . . . . . . . 48 LYS HE# . 53021 1 378 . 1 . 1 48 48 LYS HE3 H 1 2.685131002 0.00322795585 . . . . . . . 48 LYS HE# . 53021 1 379 . 1 . 1 48 48 LYS C C 13 174.8400442 0.009729213373 . . . . . . . 48 LYS C . 53021 1 380 . 1 . 1 48 48 LYS CA C 13 54.52212195 0.0606518403 . . . . . . . 48 LYS CA . 53021 1 381 . 1 . 1 48 48 LYS CB C 13 35.1659604 0.01207920292 . . . . . . . 48 LYS CB . 53021 1 382 . 1 . 1 48 48 LYS CG C 13 25.00272685 0.005453702149 . . . . . . . 48 LYS CG . 53021 1 383 . 1 . 1 48 48 LYS CD C 13 29.38266927 0 . . . . . . . 48 LYS CD . 53021 1 384 . 1 . 1 48 48 LYS CE C 13 41.48433591 0.2319455018 . . . . . . . 48 LYS CE . 53021 1 385 . 1 . 1 48 48 LYS N N 15 120.8675706 0.06330939945 . . . . . . . 48 LYS N . 53021 1 386 . 1 . 1 49 49 VAL H H 1 8.921087844 0.006497913475 . . . . . . . 49 VAL H . 53021 1 387 . 1 . 1 49 49 VAL HA H 1 5.126398603 0.004049728261 . . . . . . . 49 VAL HA . 53021 1 388 . 1 . 1 49 49 VAL HB H 1 1.851735536 0.003521939857 . . . . . . . 49 VAL HB . 53021 1 389 . 1 . 1 49 49 VAL HG11 H 1 0.761515306 0.004732807546 . . . . . . . 49 VAL HG1# . 53021 1 390 . 1 . 1 49 49 VAL HG12 H 1 0.761515306 0.004732807546 . . . . . . . 49 VAL HG1# . 53021 1 391 . 1 . 1 49 49 VAL HG13 H 1 0.761515306 0.004732807546 . . . . . . . 49 VAL HG1# . 53021 1 392 . 1 . 1 49 49 VAL HG21 H 1 0.09215422067 0.004428462194 . . . . . . . 49 VAL HG2# . 53021 1 393 . 1 . 1 49 49 VAL HG22 H 1 0.09215422067 0.004428462194 . . . . . . . 49 VAL HG2# . 53021 1 394 . 1 . 1 49 49 VAL HG23 H 1 0.09215422067 0.004428462194 . . . . . . . 49 VAL HG2# . 53021 1 395 . 1 . 1 49 49 VAL C C 13 175.2767783 0.05869048489 . . . . . . . 49 VAL C . 53021 1 396 . 1 . 1 49 49 VAL CA C 13 60.11144399 0.03293973954 . . . . . . . 49 VAL CA . 53021 1 397 . 1 . 1 49 49 VAL CB C 13 33.22529069 0.004531469217 . . . . . . . 49 VAL CB . 53021 1 398 . 1 . 1 49 49 VAL CG1 C 13 22.10794583 0.11177372 . . . . . . . 49 VAL CG1 . 53021 1 399 . 1 . 1 49 49 VAL CG2 C 13 21.8329546 0.1867624304 . . . . . . . 49 VAL CG2 . 53021 1 400 . 1 . 1 49 49 VAL N N 15 123.2450036 0.03134468725 . . . . . . . 49 VAL N . 53021 1 401 . 1 . 1 50 50 SER H H 1 8.538195413 0.006595597006 . . . . . . . 50 SER H . 53021 1 402 . 1 . 1 50 50 SER HA H 1 5.663142534 0.003445453802 . . . . . . . 50 SER HA . 53021 1 403 . 1 . 1 50 50 SER HB2 H 1 3.720654792 0.006628884714 . . . . . . . 50 SER HB2 . 53021 1 404 . 1 . 1 50 50 SER HB3 H 1 3.572324095 0.003266103246 . . . . . . . 50 SER HB3 . 53021 1 405 . 1 . 1 50 50 SER C C 13 174.7201714 0.02888606049 . . . . . . . 50 SER C . 53021 1 406 . 1 . 1 50 50 SER CA C 13 55.31487717 0.0578915134 . . . . . . . 50 SER CA . 53021 1 407 . 1 . 1 50 50 SER CB C 13 65.98689136 0.06190693518 . . . . . . . 50 SER CB . 53021 1 408 . 1 . 1 50 50 SER N N 15 118.3941402 0.02299200646 . . . . . . . 50 SER N . 53021 1 409 . 1 . 1 51 51 ASP H H 1 8.562353852 0.004903212335 . . . . . . . 51 ASP H . 53021 1 410 . 1 . 1 51 51 ASP HA H 1 5.362375058 0.002429086341 . . . . . . . 51 ASP HA . 53021 1 411 . 1 . 1 51 51 ASP HB2 H 1 3.288748291 0.006879871787 . . . . . . . 51 ASP HB2 . 53021 1 412 . 1 . 1 51 51 ASP HB3 H 1 2.582320078 0.003615733492 . . . . . . . 51 ASP HB3 . 53021 1 413 . 1 . 1 51 51 ASP C C 13 177.2513183 0.03223356083 . . . . . . . 51 ASP C . 53021 1 414 . 1 . 1 51 51 ASP CA C 13 52.66763892 0.08955383 . . . . . . . 51 ASP CA . 53021 1 415 . 1 . 1 51 51 ASP CB C 13 41.79331565 0.03506558162 . . . . . . . 51 ASP CB . 53021 1 416 . 1 . 1 51 51 ASP N N 15 126.2494919 0 . . . . . . . 51 ASP N . 53021 1 417 . 1 . 1 52 52 GLY H H 1 8.802536111 0.009100848555 . . . . . . . 52 GLY H . 53021 1 418 . 1 . 1 52 52 GLY HA2 H 1 4.491675599 0.002797911791 . . . . . . . 52 GLY HA2 . 53021 1 419 . 1 . 1 52 52 GLY HA3 H 1 3.584510465 0.004511548194 . . . . . . . 52 GLY HA3 . 53021 1 420 . 1 . 1 52 52 GLY C C 13 174.3261015 0.01221984831 . . . . . . . 52 GLY C . 53021 1 421 . 1 . 1 52 52 GLY CA C 13 45.63756761 0.08525033602 . . . . . . . 52 GLY CA . 53021 1 422 . 1 . 1 52 52 GLY N N 15 111.204818 0.02387521124 . . . . . . . 52 GLY N . 53021 1 423 . 1 . 1 53 53 SER H H 1 8.578797233 0.003602681711 . . . . . . . 53 SER H . 53021 1 424 . 1 . 1 53 53 SER HA H 1 4.627896825 0.003578150996 . . . . . . . 53 SER HA . 53021 1 425 . 1 . 1 53 53 SER HB2 H 1 3.881067241 0.003132276102 . . . . . . . 53 SER HB# . 53021 1 426 . 1 . 1 53 53 SER HB3 H 1 3.881067241 0.003132276102 . . . . . . . 53 SER HB# . 53021 1 427 . 1 . 1 53 53 SER C C 13 173.9692142 0.01230649244 . . . . . . . 53 SER C . 53021 1 428 . 1 . 1 53 53 SER CA C 13 59.59551809 0.115479779 . . . . . . . 53 SER CA . 53021 1 429 . 1 . 1 53 53 SER CB C 13 64.4365822 0.195903707 . . . . . . . 53 SER CB . 53021 1 430 . 1 . 1 53 53 SER N N 15 116.8254355 0.154906084 . . . . . . . 53 SER N . 53021 1 431 . 1 . 1 54 54 SER H H 1 9.223005508 0.009052725817 . . . . . . . 54 SER H . 53021 1 432 . 1 . 1 54 54 SER HA H 1 4.724411764 0.006204614707 . . . . . . . 54 SER HA . 53021 1 433 . 1 . 1 54 54 SER HB2 H 1 3.800931985 0.002814050366 . . . . . . . 54 SER HB# . 53021 1 434 . 1 . 1 54 54 SER HB3 H 1 3.800931985 0.002814050366 . . . . . . . 54 SER HB# . 53021 1 435 . 1 . 1 54 54 SER C C 13 172.6829351 0.02064028667 . . . . . . . 54 SER C . 53021 1 436 . 1 . 1 54 54 SER CA C 13 58.04887747 0.05175947662 . . . . . . . 54 SER CA . 53021 1 437 . 1 . 1 54 54 SER CB C 13 64.80674802 0.0116879165 . . . . . . . 54 SER CB . 53021 1 438 . 1 . 1 54 54 SER N N 15 119.4576062 0.03124446315 . . . . . . . 54 SER N . 53021 1 439 . 1 . 1 55 55 GLU H H 1 8.41508442 0.004642790215 . . . . . . . 55 GLU H . 53021 1 440 . 1 . 1 55 55 GLU HA H 1 5.506915658 0.005114433861 . . . . . . . 55 GLU HA . 53021 1 441 . 1 . 1 55 55 GLU HB2 H 1 1.841983215 0.004026994198 . . . . . . . 55 GLU HB# . 53021 1 442 . 1 . 1 55 55 GLU HB3 H 1 1.841983215 0.004026994198 . . . . . . . 55 GLU HB# . 53021 1 443 . 1 . 1 55 55 GLU HG2 H 1 2.147868329 0.01043321995 . . . . . . . 55 GLU HG# . 53021 1 444 . 1 . 1 55 55 GLU HG3 H 1 2.147868329 0.01043321995 . . . . . . . 55 GLU HG# . 53021 1 445 . 1 . 1 55 55 GLU C C 13 174.8119033 0.007006704848 . . . . . . . 55 GLU C . 53021 1 446 . 1 . 1 55 55 GLU CA C 13 54.56624822 0.04715598872 . . . . . . . 55 GLU CA . 53021 1 447 . 1 . 1 55 55 GLU CB C 13 32.43135844 0.1188906632 . . . . . . . 55 GLU CB . 53021 1 448 . 1 . 1 55 55 GLU CG C 13 34.76377821 0.02091265938 . . . . . . . 55 GLU CG . 53021 1 449 . 1 . 1 55 55 GLU N N 15 120.7210147 0.01835822653 . . . . . . . 55 GLU N . 53021 1 450 . 1 . 1 56 56 ILE H H 1 8.753353826 0.005461674474 . . . . . . . 56 ILE H . 53021 1 451 . 1 . 1 56 56 ILE HA H 1 4.427738544 0.002229653053 . . . . . . . 56 ILE HA . 53021 1 452 . 1 . 1 56 56 ILE HB H 1 1.857688293 0.002668378635 . . . . . . . 56 ILE HB . 53021 1 453 . 1 . 1 56 56 ILE HG12 H 1 1.51464002 0.00616086577 . . . . . . . 56 ILE HG12 . 53021 1 454 . 1 . 1 56 56 ILE HG13 H 1 0.652520704 0.004628522522 . . . . . . . 56 ILE HG13 . 53021 1 455 . 1 . 1 56 56 ILE HD11 H 1 0.8694798775 0.01004309631 . . . . . . . 56 ILE HD1# . 53021 1 456 . 1 . 1 56 56 ILE HD12 H 1 0.8694798775 0.01004309631 . . . . . . . 56 ILE HD1# . 53021 1 457 . 1 . 1 56 56 ILE HD13 H 1 0.8694798775 0.01004309631 . . . . . . . 56 ILE HD1# . 53021 1 458 . 1 . 1 56 56 ILE C C 13 173.8395577 0.004973614817 . . . . . . . 56 ILE C . 53021 1 459 . 1 . 1 56 56 ILE CA C 13 59.91756633 0.04625855819 . . . . . . . 56 ILE CA . 53021 1 460 . 1 . 1 56 56 ILE CB C 13 41.71416976 0.1381841518 . . . . . . . 56 ILE CB . 53021 1 461 . 1 . 1 56 56 ILE CG1 C 13 27.7 0 . . . . . . . 56 ILE CG1 . 53021 1 462 . 1 . 1 56 56 ILE CG2 C 13 18.11207393 0.01207392952 . . . . . . . 56 ILE CG2 . 53021 1 463 . 1 . 1 56 56 ILE CD1 C 13 13.13096499 0 . . . . . . . 56 ILE CD1 . 53021 1 464 . 1 . 1 56 56 ILE N N 15 121.7055458 0.06332853755 . . . . . . . 56 ILE N . 53021 1 465 . 1 . 1 57 57 PHE H H 1 8.446141296 0.00371829948 . . . . . . . 57 PHE H . 53021 1 466 . 1 . 1 57 57 PHE HA H 1 5.270497253 0.005856658714 . . . . . . . 57 PHE HA . 53021 1 467 . 1 . 1 57 57 PHE HB2 H 1 2.893664892 0.007895729 . . . . . . . 57 PHE HB2 . 53021 1 468 . 1 . 1 57 57 PHE HB3 H 1 2.462708165 0.001571315557 . . . . . . . 57 PHE HB3 . 53021 1 469 . 1 . 1 57 57 PHE CA C 13 57.14039219 0.4515273749 . . . . . . . 57 PHE CA . 53021 1 470 . 1 . 1 57 57 PHE CB C 13 40.82814022 0.05468455925 . . . . . . . 57 PHE CB . 53021 1 471 . 1 . 1 57 57 PHE N N 15 124.3574249 0.016765739 . . . . . . . 57 PHE N . 53021 1 472 . 1 . 1 58 58 PHE H H 1 9.391657913 0.005516434693 . . . . . . . 58 PHE H . 53021 1 473 . 1 . 1 58 58 PHE HA H 1 4.758800134 0.004501225662 . . . . . . . 58 PHE HA . 53021 1 474 . 1 . 1 58 58 PHE HB2 H 1 2.937012004 0.01364381759 . . . . . . . 58 PHE HB2 . 53021 1 475 . 1 . 1 58 58 PHE HB3 H 1 2.602346461 0.01633077582 . . . . . . . 58 PHE HB3 . 53021 1 476 . 1 . 1 58 58 PHE C C 13 173.739435 0.04006357154 . . . . . . . 58 PHE C . 53021 1 477 . 1 . 1 58 58 PHE CA C 13 57.53961824 0.1544977491 . . . . . . . 58 PHE CA . 53021 1 478 . 1 . 1 58 58 PHE CB C 13 44.21977225 0.1018982214 . . . . . . . 58 PHE CB . 53021 1 479 . 1 . 1 58 58 PHE N N 15 121.2197966 0.02780074616 . . . . . . . 58 PHE N . 53021 1 480 . 1 . 1 59 59 LYS H H 1 8.459319466 0.005716629455 . . . . . . . 59 LYS H . 53021 1 481 . 1 . 1 59 59 LYS HA H 1 5.295700113 0.004835417822 . . . . . . . 59 LYS HA . 53021 1 482 . 1 . 1 59 59 LYS HB2 H 1 1.627415288 0.009601490551 . . . . . . . 59 LYS HB# . 53021 1 483 . 1 . 1 59 59 LYS HB3 H 1 1.627415288 0.009601490551 . . . . . . . 59 LYS HB# . 53021 1 484 . 1 . 1 59 59 LYS HG2 H 1 1.481694429 0.003315288274 . . . . . . . 59 LYS HG# . 53021 1 485 . 1 . 1 59 59 LYS HG3 H 1 1.481694429 0.003315288274 . . . . . . . 59 LYS HG# . 53021 1 486 . 1 . 1 59 59 LYS HD2 H 1 1.283449313 0.01362878871 . . . . . . . 59 LYS HD2 . 53021 1 487 . 1 . 1 59 59 LYS HD3 H 1 1.157426917 0.0163432274 . . . . . . . 59 LYS HD3 . 53021 1 488 . 1 . 1 59 59 LYS HE2 H 1 2.754651253 0.01306850156 . . . . . . . 59 LYS HE# . 53021 1 489 . 1 . 1 59 59 LYS HE3 H 1 2.754651253 0.01306850156 . . . . . . . 59 LYS HE# . 53021 1 490 . 1 . 1 59 59 LYS C C 13 175.6713551 0.2176925081 . . . . . . . 59 LYS C . 53021 1 491 . 1 . 1 59 59 LYS CA C 13 55.6722903 0.05156859464 . . . . . . . 59 LYS CA . 53021 1 492 . 1 . 1 59 59 LYS CB C 13 33.71216575 0.06715619344 . . . . . . . 59 LYS CB . 53021 1 493 . 1 . 1 59 59 LYS CG C 13 24.9 0 . . . . . . . 59 LYS CG . 53021 1 494 . 1 . 1 59 59 LYS CD C 13 29.26903501 0.000000337 . . . . . . . 59 LYS CD . 53021 1 495 . 1 . 1 59 59 LYS CE C 13 41.27097536 0.002180964079 . . . . . . . 59 LYS CE . 53021 1 496 . 1 . 1 59 59 LYS N N 15 124.4003316 0.0183351182 . . . . . . . 59 LYS N . 53021 1 497 . 1 . 1 60 60 ILE H H 1 8.873611667 0.008109341588 . . . . . . . 60 ILE H . 53021 1 498 . 1 . 1 60 60 ILE HA H 1 4.92341859 0.01336782247 . . . . . . . 60 ILE HA . 53021 1 499 . 1 . 1 60 60 ILE HB H 1 1.880746897 0.003704209682 . . . . . . . 60 ILE HB . 53021 1 500 . 1 . 1 60 60 ILE HG12 H 1 1.482032238 0.004016225375 . . . . . . . 60 ILE HG12 . 53021 1 501 . 1 . 1 60 60 ILE HG13 H 1 1.291778342 0.00494715343 . . . . . . . 60 ILE HG13 . 53021 1 502 . 1 . 1 60 60 ILE HD11 H 1 0.6895447697 0.007629614081 . . . . . . . 60 ILE HD1# . 53021 1 503 . 1 . 1 60 60 ILE HD12 H 1 0.6895447697 0.007629614081 . . . . . . . 60 ILE HD1# . 53021 1 504 . 1 . 1 60 60 ILE HD13 H 1 0.6895447697 0.007629614081 . . . . . . . 60 ILE HD1# . 53021 1 505 . 1 . 1 60 60 ILE C C 13 174.3055424 0.04877935888 . . . . . . . 60 ILE C . 53021 1 506 . 1 . 1 60 60 ILE CA C 13 59.32225882 0.04041834732 . . . . . . . 60 ILE CA . 53021 1 507 . 1 . 1 60 60 ILE CB C 13 42.9868243 0.3301172176 . . . . . . . 60 ILE CB . 53021 1 508 . 1 . 1 60 60 ILE CG1 C 13 26.50340856 0.000000337 . . . . . . . 60 ILE CG1 . 53021 1 509 . 1 . 1 60 60 ILE CD1 C 13 14.62897743 0.02365997321 . . . . . . . 60 ILE CD1 . 53021 1 510 . 1 . 1 60 60 ILE N N 15 121.7993011 0.07026569182 . . . . . . . 60 ILE N . 53021 1 511 . 1 . 1 61 61 LYS H H 1 8.383127326 0.008752965352 . . . . . . . 61 LYS H . 53021 1 512 . 1 . 1 61 61 LYS HA H 1 4.441093857 0.008973274634 . . . . . . . 61 LYS HA . 53021 1 513 . 1 . 1 61 61 LYS HB2 H 1 1.857935234 0.003297456211 . . . . . . . 61 LYS HB# . 53021 1 514 . 1 . 1 61 61 LYS HB3 H 1 1.857935234 0.003297456211 . . . . . . . 61 LYS HB# . 53021 1 515 . 1 . 1 61 61 LYS HG2 H 1 1.724687386 0.003024845737 . . . . . . . 61 LYS HG# . 53021 1 516 . 1 . 1 61 61 LYS HG3 H 1 1.724687386 0.003024845737 . . . . . . . 61 LYS HG# . 53021 1 517 . 1 . 1 61 61 LYS HD2 H 1 1.793953351 0.008726734109 . . . . . . . 61 LYS HD# . 53021 1 518 . 1 . 1 61 61 LYS HD3 H 1 1.793953351 0.008726734109 . . . . . . . 61 LYS HD# . 53021 1 519 . 1 . 1 61 61 LYS HE2 H 1 3.215082885 0.003468721666 . . . . . . . 61 LYS HE# . 53021 1 520 . 1 . 1 61 61 LYS HE3 H 1 3.215082885 0.003468721666 . . . . . . . 61 LYS HE# . 53021 1 521 . 1 . 1 61 61 LYS C C 13 178.4911029 0.03302998809 . . . . . . . 61 LYS C . 53021 1 522 . 1 . 1 61 61 LYS CA C 13 57.11546901 0.04378114745 . . . . . . . 61 LYS CA . 53021 1 523 . 1 . 1 61 61 LYS CG C 13 26.87244358 0 . . . . . . . 61 LYS CG . 53021 1 524 . 1 . 1 61 61 LYS CD C 13 29.99318287 0 . . . . . . . 61 LYS CD . 53021 1 525 . 1 . 1 61 61 LYS CE C 13 43.048 0 . . . . . . . 61 LYS CE . 53021 1 526 . 1 . 1 61 61 LYS N N 15 123.3241301 0.01064494954 . . . . . . . 61 LYS N . 53021 1 527 . 1 . 1 62 62 LYS H H 1 8.50013939 0.004708626636 . . . . . . . 62 LYS H . 53021 1 528 . 1 . 1 62 62 LYS HA H 1 3.766208215 0.00915849577 . . . . . . . 62 LYS HA . 53021 1 529 . 1 . 1 62 62 LYS HB2 H 1 1.822113715 0.002508374215 . . . . . . . 62 LYS HB# . 53021 1 530 . 1 . 1 62 62 LYS HB3 H 1 1.822113715 0.002508374215 . . . . . . . 62 LYS HB# . 53021 1 531 . 1 . 1 62 62 LYS HG2 H 1 1.403523791 0.001786946876 . . . . . . . 62 LYS HG# . 53021 1 532 . 1 . 1 62 62 LYS HG3 H 1 1.403523791 0.001786946876 . . . . . . . 62 LYS HG# . 53021 1 533 . 1 . 1 62 62 LYS HD2 H 1 1.547523721 0.005534927526 . . . . . . . 62 LYS HD# . 53021 1 534 . 1 . 1 62 62 LYS HD3 H 1 1.547523721 0.005534927526 . . . . . . . 62 LYS HD# . 53021 1 535 . 1 . 1 62 62 LYS HE2 H 1 3.070132081 0.002047048781 . . . . . . . 62 LYS HE# . 53021 1 536 . 1 . 1 62 62 LYS HE3 H 1 3.070132081 0.002047048781 . . . . . . . 62 LYS HE# . 53021 1 537 . 1 . 1 62 62 LYS C C 13 175.1777599 0.01573122576 . . . . . . . 62 LYS C . 53021 1 538 . 1 . 1 62 62 LYS CA C 13 59.72475521 0.08669812129 . . . . . . . 62 LYS CA . 53021 1 539 . 1 . 1 62 62 LYS CB C 13 32.823 0 . . . . . . . 62 LYS CB . 53021 1 540 . 1 . 1 62 62 LYS CG C 13 26.77244358 0.0000004768 . . . . . . . 62 LYS CG . 53021 1 541 . 1 . 1 62 62 LYS CD C 13 30.873807 0.3057687557 . . . . . . . 62 LYS CD . 53021 1 542 . 1 . 1 62 62 LYS CE C 13 42.52012322 0.008999375706 . . . . . . . 62 LYS CE . 53021 1 543 . 1 . 1 62 62 LYS N N 15 119.1733427 0.0008306355481 . . . . . . . 62 LYS N . 53021 1 544 . 1 . 1 63 63 THR H H 1 6.875469269 0.005944928463 . . . . . . . 63 THR H . 53021 1 545 . 1 . 1 63 63 THR HA H 1 4.338786363 0.005370684636 . . . . . . . 63 THR HA . 53021 1 546 . 1 . 1 63 63 THR HB H 1 4.624492877 0.003934341435 . . . . . . . 63 THR HB . 53021 1 547 . 1 . 1 63 63 THR HG21 H 1 1.134204063 0.003706871219 . . . . . . . 63 THR HG2# . 53021 1 548 . 1 . 1 63 63 THR HG22 H 1 1.134204063 0.003706871219 . . . . . . . 63 THR HG2# . 53021 1 549 . 1 . 1 63 63 THR HG23 H 1 1.134204063 0.003706871219 . . . . . . . 63 THR HG2# . 53021 1 550 . 1 . 1 63 63 THR CA C 13 60.19317746 0.009925227848 . . . . . . . 63 THR CA . 53021 1 551 . 1 . 1 63 63 THR CB C 13 68.99200781 0.2022655312 . . . . . . . 63 THR CB . 53021 1 552 . 1 . 1 63 63 THR CG2 C 13 21.66296753 0.1910103088 . . . . . . . 63 THR CG2 . 53021 1 553 . 1 . 1 63 63 THR N N 15 133.7443703 0.01246188763 . . . . . . . 63 THR N . 53021 1 554 . 1 . 1 64 64 THR H H 1 7.486285234 0.00579303581 . . . . . . . 64 THR H . 53021 1 555 . 1 . 1 64 64 THR HA H 1 4.485961334 0.00445014919 . . . . . . . 64 THR HA . 53021 1 556 . 1 . 1 64 64 THR HB H 1 4.103139026 0.002786226048 . . . . . . . 64 THR HB . 53021 1 557 . 1 . 1 64 64 THR HG21 H 1 1.373826769 0.002340532182 . . . . . . . 64 THR HG2# . 53021 1 558 . 1 . 1 64 64 THR HG22 H 1 1.373826769 0.002340532182 . . . . . . . 64 THR HG2# . 53021 1 559 . 1 . 1 64 64 THR HG23 H 1 1.373826769 0.002340532182 . . . . . . . 64 THR HG2# . 53021 1 560 . 1 . 1 64 64 THR C C 13 170.7774245 0 . . . . . . . 64 THR C . 53021 1 561 . 1 . 1 64 64 THR CA C 13 60.99530023 0.1510780768 . . . . . . . 64 THR CA . 53021 1 562 . 1 . 1 64 64 THR CB C 13 70.3771718 0.2177746786 . . . . . . . 64 THR CB . 53021 1 563 . 1 . 1 64 64 THR CG2 C 13 21.54815414 0.1453073622 . . . . . . . 64 THR CG2 . 53021 1 564 . 1 . 1 64 64 THR N N 15 123.6532577 0.01274079798 . . . . . . . 64 THR N . 53021 1 565 . 1 . 1 66 66 LEU H H 1 9.158106365 0.00516892308 . . . . . . . 66 LEU H . 53021 1 566 . 1 . 1 66 66 LEU HA H 1 3.70894559 0.02272934717 . . . . . . . 66 LEU HA . 53021 1 567 . 1 . 1 66 66 LEU HB2 H 1 1.715117596 0.005642596819 . . . . . . . 66 LEU HB# . 53021 1 568 . 1 . 1 66 66 LEU HB3 H 1 1.715117596 0.005642596819 . . . . . . . 66 LEU HB# . 53021 1 569 . 1 . 1 66 66 LEU HG H 1 1.554845641 0.01000273543 . . . . . . . 66 LEU HG . 53021 1 570 . 1 . 1 66 66 LEU HD11 H 1 0.9689751011 0.03149803782 . . . . . . . 66 LEU HD1# . 53021 1 571 . 1 . 1 66 66 LEU HD12 H 1 0.9689751011 0.03149803782 . . . . . . . 66 LEU HD1# . 53021 1 572 . 1 . 1 66 66 LEU HD13 H 1 0.9689751011 0.03149803782 . . . . . . . 66 LEU HD1# . 53021 1 573 . 1 . 1 66 66 LEU HD21 H 1 0.5501585121 0.008009701534 . . . . . . . 66 LEU HD2# . 53021 1 574 . 1 . 1 66 66 LEU HD22 H 1 0.5501585121 0.008009701534 . . . . . . . 66 LEU HD2# . 53021 1 575 . 1 . 1 66 66 LEU HD23 H 1 0.5501585121 0.008009701534 . . . . . . . 66 LEU HD2# . 53021 1 576 . 1 . 1 66 66 LEU C C 13 177.3400909 0.02404577234 . . . . . . . 66 LEU C . 53021 1 577 . 1 . 1 66 66 LEU CA C 13 57.50937922 0.2109828299 . . . . . . . 66 LEU CA . 53021 1 578 . 1 . 1 66 66 LEU CB C 13 41.45541565 0.09359200772 . . . . . . . 66 LEU CB . 53021 1 579 . 1 . 1 66 66 LEU CG C 13 28.89183722 0.03263199468 . . . . . . . 66 LEU CG . 53021 1 580 . 1 . 1 66 66 LEU CD2 C 13 26.42679925 0.08469726413 . . . . . . . 66 LEU CD2 . 53021 1 581 . 1 . 1 66 66 LEU N N 15 123.8422695 0.03933828016 . . . . . . . 66 LEU N . 53021 1 582 . 1 . 1 67 67 ARG H H 1 8.502662633 0.008060766359 . . . . . . . 67 ARG H . 53021 1 583 . 1 . 1 67 67 ARG C C 13 176.7354712 0.005877672685 . . . . . . . 67 ARG C . 53021 1 584 . 1 . 1 67 67 ARG CA C 13 60.11522674 0.008301309649 . . . . . . . 67 ARG CA . 53021 1 585 . 1 . 1 67 67 ARG N N 15 120.8422962 0.134144921 . . . . . . . 67 ARG N . 53021 1 586 . 1 . 1 68 68 ARG H H 1 7.822960306 0.006445108844 . . . . . . . 68 ARG H . 53021 1 587 . 1 . 1 68 68 ARG HA H 1 4.039614267 0.008337625494 . . . . . . . 68 ARG HA . 53021 1 588 . 1 . 1 68 68 ARG HB2 H 1 1.828295794 0.00800240584 . . . . . . . 68 ARG HB# . 53021 1 589 . 1 . 1 68 68 ARG HB3 H 1 1.828295794 0.00800240584 . . . . . . . 68 ARG HB# . 53021 1 590 . 1 . 1 68 68 ARG HG2 H 1 1.680912333 0.007906111273 . . . . . . . 68 ARG HG# . 53021 1 591 . 1 . 1 68 68 ARG HG3 H 1 1.680912333 0.007906111273 . . . . . . . 68 ARG HG# . 53021 1 592 . 1 . 1 68 68 ARG HD2 H 1 3.221057194 0.004571511807 . . . . . . . 68 ARG HD# . 53021 1 593 . 1 . 1 68 68 ARG HD3 H 1 3.221057194 0.004571511807 . . . . . . . 68 ARG HD# . 53021 1 594 . 1 . 1 68 68 ARG C C 13 178.8142921 0.03837050762 . . . . . . . 68 ARG C . 53021 1 595 . 1 . 1 68 68 ARG CA C 13 59.00095487 0.07472377987 . . . . . . . 68 ARG CA . 53021 1 596 . 1 . 1 68 68 ARG CB C 13 29.63288374 0.2031038028 . . . . . . . 68 ARG CB . 53021 1 597 . 1 . 1 68 68 ARG CG C 13 27 0 . . . . . . . 68 ARG CG . 53021 1 598 . 1 . 1 68 68 ARG CD C 13 43 0 . . . . . . . 68 ARG CD . 53021 1 599 . 1 . 1 68 68 ARG N N 15 114.5758165 0.01992113855 . . . . . . . 68 ARG N . 53021 1 600 . 1 . 1 69 69 LEU H H 1 7.055997703 0.008958823591 . . . . . . . 69 LEU H . 53021 1 601 . 1 . 1 69 69 LEU HA H 1 3.408717513 0.002126115394 . . . . . . . 69 LEU HA . 53021 1 602 . 1 . 1 69 69 LEU HB2 H 1 1.188675329 0.01781531417 . . . . . . . 69 LEU HB2 . 53021 1 603 . 1 . 1 69 69 LEU HB3 H 1 1.153934408 0.02333328565 . . . . . . . 69 LEU HB3 . 53021 1 604 . 1 . 1 69 69 LEU HG H 1 0.6326948422 0.01255498419 . . . . . . . 69 LEU HG . 53021 1 605 . 1 . 1 69 69 LEU HD11 H 1 0.3759889564 0.005104091464 . . . . . . . 69 LEU HD1# . 53021 1 606 . 1 . 1 69 69 LEU HD12 H 1 0.3759889564 0.005104091464 . . . . . . . 69 LEU HD1# . 53021 1 607 . 1 . 1 69 69 LEU HD13 H 1 0.3759889564 0.005104091464 . . . . . . . 69 LEU HD1# . 53021 1 608 . 1 . 1 69 69 LEU HD21 H 1 0.1998477331 0.008249912284 . . . . . . . 69 LEU HD2# . 53021 1 609 . 1 . 1 69 69 LEU HD22 H 1 0.1998477331 0.008249912284 . . . . . . . 69 LEU HD2# . 53021 1 610 . 1 . 1 69 69 LEU HD23 H 1 0.1998477331 0.008249912284 . . . . . . . 69 LEU HD2# . 53021 1 611 . 1 . 1 69 69 LEU C C 13 177.2389833 0.04507035551 . . . . . . . 69 LEU C . 53021 1 612 . 1 . 1 69 69 LEU CA C 13 57.75438265 0.01836854546 . . . . . . . 69 LEU CA . 53021 1 613 . 1 . 1 69 69 LEU CB C 13 41.983981 0.0280136187 . . . . . . . 69 LEU CB . 53021 1 614 . 1 . 1 69 69 LEU CG C 13 26.55422235 0.2820280575 . . . . . . . 69 LEU CG . 53021 1 615 . 1 . 1 69 69 LEU CD1 C 13 26.94728963 0.1051985868 . . . . . . . 69 LEU CD1 . 53021 1 616 . 1 . 1 69 69 LEU CD2 C 13 24.50306269 0.001084506497 . . . . . . . 69 LEU CD2 . 53021 1 617 . 1 . 1 69 69 LEU N N 15 120.9840126 0.03787855802 . . . . . . . 69 LEU N . 53021 1 618 . 1 . 1 70 70 MET H H 1 7.81442042 0.002902087568 . . . . . . . 70 MET H . 53021 1 619 . 1 . 1 70 70 MET HA H 1 3.062435187 0.004925193742 . . . . . . . 70 MET HA . 53021 1 620 . 1 . 1 70 70 MET HB2 H 1 1.746657617 0.00792399911 . . . . . . . 70 MET HB2 . 53021 1 621 . 1 . 1 70 70 MET HB3 H 1 1.464875045 0.005483513939 . . . . . . . 70 MET HB3 . 53021 1 622 . 1 . 1 70 70 MET C C 13 177.7337075 0.07098437222 . . . . . . . 70 MET C . 53021 1 623 . 1 . 1 70 70 MET CA C 13 59.2463488 0.03261349044 . . . . . . . 70 MET CA . 53021 1 624 . 1 . 1 70 70 MET CB C 13 33.9167193 0.0217002126 . . . . . . . 70 MET CB . 53021 1 625 . 1 . 1 70 70 MET CG C 13 30.76340856 0.03170428192 . . . . . . . 70 MET CG . 53021 1 626 . 1 . 1 70 70 MET N N 15 119.6967445 0.02460850747 . . . . . . . 70 MET N . 53021 1 627 . 1 . 1 71 71 GLU H H 1 8.486199047 0.008832896857 . . . . . . . 71 GLU H . 53021 1 628 . 1 . 1 71 71 GLU HA H 1 3.996144507 0.005913357783 . . . . . . . 71 GLU HA . 53021 1 629 . 1 . 1 71 71 GLU HB2 H 1 2.119090676 0.009574910727 . . . . . . . 71 GLU HB2 . 53021 1 630 . 1 . 1 71 71 GLU HB3 H 1 2.002385798 0.02106182482 . . . . . . . 71 GLU HB3 . 53021 1 631 . 1 . 1 71 71 GLU HG2 H 1 2.524295217 0.002701766192 . . . . . . . 71 GLU HG2 . 53021 1 632 . 1 . 1 71 71 GLU HG3 H 1 2.359437197 0.003820297391 . . . . . . . 71 GLU HG3 . 53021 1 633 . 1 . 1 71 71 GLU C C 13 178.8213039 0.005079901452 . . . . . . . 71 GLU C . 53021 1 634 . 1 . 1 71 71 GLU CA C 13 59.17087529 0.04565521696 . . . . . . . 71 GLU CA . 53021 1 635 . 1 . 1 71 71 GLU CB C 13 29.66786982 0.1208951017 . . . . . . . 71 GLU CB . 53021 1 636 . 1 . 1 71 71 GLU CG C 13 36.62414786 0.0000008259 . . . . . . . 71 GLU CG . 53021 1 637 . 1 . 1 71 71 GLU N N 15 117.267351 0.02322645152 . . . . . . . 71 GLU N . 53021 1 638 . 1 . 1 72 72 ALA H H 1 7.557138324 0.005069948842 . . . . . . . 72 ALA H . 53021 1 639 . 1 . 1 72 72 ALA HA H 1 4.191400908 0.002754101307 . . . . . . . 72 ALA HA . 53021 1 640 . 1 . 1 72 72 ALA HB1 H 1 1.609426997 0.003556219947 . . . . . . . 72 ALA HB# . 53021 1 641 . 1 . 1 72 72 ALA HB2 H 1 1.609426997 0.003556219947 . . . . . . . 72 ALA HB# . 53021 1 642 . 1 . 1 72 72 ALA HB3 H 1 1.609426997 0.003556219947 . . . . . . . 72 ALA HB# . 53021 1 643 . 1 . 1 72 72 ALA C C 13 180.6625179 0.01736615184 . . . . . . . 72 ALA C . 53021 1 644 . 1 . 1 72 72 ALA CA C 13 55.25277635 0.05738148665 . . . . . . . 72 ALA CA . 53021 1 645 . 1 . 1 72 72 ALA CB C 13 18.77473227 0.1074853528 . . . . . . . 72 ALA CB . 53021 1 646 . 1 . 1 72 72 ALA N N 15 121.3453091 0.02519003166 . . . . . . . 72 ALA N . 53021 1 647 . 1 . 1 73 73 PHE H H 1 8.567367204 0.005135785639 . . . . . . . 73 PHE H . 53021 1 648 . 1 . 1 73 73 PHE HA H 1 4.033382967 0.006669069933 . . . . . . . 73 PHE HA . 53021 1 649 . 1 . 1 73 73 PHE HB2 H 1 3.18682026 0.003595068931 . . . . . . . 73 PHE HB2 . 53021 1 650 . 1 . 1 73 73 PHE HB3 H 1 3.124065619 0.01916013756 . . . . . . . 73 PHE HB3 . 53021 1 651 . 1 . 1 73 73 PHE C C 13 176.5848372 0.04344437811 . . . . . . . 73 PHE C . 53021 1 652 . 1 . 1 73 73 PHE CA C 13 62.71611577 0.03445589679 . . . . . . . 73 PHE CA . 53021 1 653 . 1 . 1 73 73 PHE CB C 13 39.731961 0.1333789236 . . . . . . . 73 PHE CB . 53021 1 654 . 1 . 1 73 73 PHE N N 15 119.023976 0.01468240809 . . . . . . . 73 PHE N . 53021 1 655 . 1 . 1 74 74 ALA H H 1 8.369782358 0.004545329687 . . . . . . . 74 ALA H . 53021 1 656 . 1 . 1 74 74 ALA HA H 1 3.684289223 0.003138457438 . . . . . . . 74 ALA HA . 53021 1 657 . 1 . 1 74 74 ALA HB1 H 1 1.484621404 0.006463686758 . . . . . . . 74 ALA HB# . 53021 1 658 . 1 . 1 74 74 ALA HB2 H 1 1.484621404 0.006463686758 . . . . . . . 74 ALA HB# . 53021 1 659 . 1 . 1 74 74 ALA HB3 H 1 1.484621404 0.006463686758 . . . . . . . 74 ALA HB# . 53021 1 660 . 1 . 1 74 74 ALA C C 13 179.4305935 0.04314434455 . . . . . . . 74 ALA C . 53021 1 661 . 1 . 1 74 74 ALA CA C 13 56.08650279 0.04575378932 . . . . . . . 74 ALA CA . 53021 1 662 . 1 . 1 74 74 ALA CB C 13 17.75810089 0.04189911261 . . . . . . . 74 ALA CB . 53021 1 663 . 1 . 1 74 74 ALA N N 15 120.7595579 0.0195381226 . . . . . . . 74 ALA N . 53021 1 664 . 1 . 1 75 75 LYS H H 1 8.362293336 0.005035800426 . . . . . . . 75 LYS H . 53021 1 665 . 1 . 1 75 75 LYS HA H 1 4.124331334 0.00573325095 . . . . . . . 75 LYS HA . 53021 1 666 . 1 . 1 75 75 LYS HB2 H 1 1.985257236 0.01400949278 . . . . . . . 75 LYS HB# . 53021 1 667 . 1 . 1 75 75 LYS HB3 H 1 1.985257236 0.01400949278 . . . . . . . 75 LYS HB# . 53021 1 668 . 1 . 1 75 75 LYS HG2 H 1 1.55857051 0.01506278385 . . . . . . . 75 LYS HG2 . 53021 1 669 . 1 . 1 75 75 LYS HG3 H 1 1.497470514 0.01257458761 . . . . . . . 75 LYS HG3 . 53021 1 670 . 1 . 1 75 75 LYS HD2 H 1 1.700548557 0.002845083635 . . . . . . . 75 LYS HD# . 53021 1 671 . 1 . 1 75 75 LYS HD3 H 1 1.700548557 0.002845083635 . . . . . . . 75 LYS HD# . 53021 1 672 . 1 . 1 75 75 LYS HE2 H 1 3.000635469 0.00590164006 . . . . . . . 75 LYS HE# . 53021 1 673 . 1 . 1 75 75 LYS HE3 H 1 3.000635469 0.00590164006 . . . . . . . 75 LYS HE# . 53021 1 674 . 1 . 1 75 75 LYS C C 13 180.4025777 0.03238753474 . . . . . . . 75 LYS C . 53021 1 675 . 1 . 1 75 75 LYS CA C 13 59.28161827 0.1646024481 . . . . . . . 75 LYS CA . 53021 1 676 . 1 . 1 75 75 LYS CB C 13 32.38973161 0.04507992133 . . . . . . . 75 LYS CB . 53021 1 677 . 1 . 1 75 75 LYS CG C 13 25.42414786 0 . . . . . . . 75 LYS CG . 53021 1 678 . 1 . 1 75 75 LYS CD C 13 29.52414786 0.0000004768 . . . . . . . 75 LYS CD . 53021 1 679 . 1 . 1 75 75 LYS CE C 13 41.9 0 . . . . . . . 75 LYS CE . 53021 1 680 . 1 . 1 75 75 LYS N N 15 117.3744272 0.007295744402 . . . . . . . 75 LYS N . 53021 1 681 . 1 . 1 76 76 ARG H H 1 7.732942043 0.004929266601 . . . . . . . 76 ARG H . 53021 1 682 . 1 . 1 76 76 ARG HA H 1 4.060989512 0.00701467318 . . . . . . . 76 ARG HA . 53021 1 683 . 1 . 1 76 76 ARG HB2 H 1 1.851961657 0.001828499741 . . . . . . . 76 ARG HB# . 53021 1 684 . 1 . 1 76 76 ARG HB3 H 1 1.851961657 0.001828499741 . . . . . . . 76 ARG HB# . 53021 1 685 . 1 . 1 76 76 ARG HG2 H 1 1.700933676 0.001592656217 . . . . . . . 76 ARG HG# . 53021 1 686 . 1 . 1 76 76 ARG HG3 H 1 1.700933676 0.001592656217 . . . . . . . 76 ARG HG# . 53021 1 687 . 1 . 1 76 76 ARG HD2 H 1 3.113079407 0.001257899983 . . . . . . . 76 ARG HD# . 53021 1 688 . 1 . 1 76 76 ARG HD3 H 1 3.113079407 0.001257899983 . . . . . . . 76 ARG HD# . 53021 1 689 . 1 . 1 76 76 ARG C C 13 177.5181816 0.02863924691 . . . . . . . 76 ARG C . 53021 1 690 . 1 . 1 76 76 ARG CA C 13 58.26034643 0.02122262775 . . . . . . . 76 ARG CA . 53021 1 691 . 1 . 1 76 76 ARG CB C 13 29.46813174 0.08398227337 . . . . . . . 76 ARG CB . 53021 1 692 . 1 . 1 76 76 ARG CG C 13 27.82414786 0 . . . . . . . 76 ARG CG . 53021 1 693 . 1 . 1 76 76 ARG CD C 13 42.47585214 0 . . . . . . . 76 ARG CD . 53021 1 694 . 1 . 1 76 76 ARG N N 15 119.9290716 0.008984320303 . . . . . . . 76 ARG N . 53021 1 695 . 1 . 1 77 77 GLN H H 1 7.423769306 0.004453165665 . . . . . . . 77 GLN H . 53021 1 696 . 1 . 1 77 77 GLN HA H 1 4.34347803 0.005754346888 . . . . . . . 77 GLN HA . 53021 1 697 . 1 . 1 77 77 GLN HB2 H 1 2.112606541 0.020828208 . . . . . . . 77 GLN HB2 . 53021 1 698 . 1 . 1 77 77 GLN HB3 H 1 1.649430586 0.001543210541 . . . . . . . 77 GLN HB3 . 53021 1 699 . 1 . 1 77 77 GLN HG2 H 1 1.778326286 0.00763698539 . . . . . . . 77 GLN HG# . 53021 1 700 . 1 . 1 77 77 GLN HG3 H 1 1.778326286 0.00763698539 . . . . . . . 77 GLN HG# . 53021 1 701 . 1 . 1 77 77 GLN C C 13 176.1472349 0.01194908723 . . . . . . . 77 GLN C . 53021 1 702 . 1 . 1 77 77 GLN CA C 13 54.59081353 0.05457622295 . . . . . . . 77 GLN CA . 53021 1 703 . 1 . 1 77 77 GLN CB C 13 29.3793325 0.08214492828 . . . . . . . 77 GLN CB . 53021 1 704 . 1 . 1 77 77 GLN CG C 13 33.8 0 . . . . . . . 77 GLN CG . 53021 1 705 . 1 . 1 77 77 GLN N N 15 113.7703816 0.02055780377 . . . . . . . 77 GLN N . 53021 1 706 . 1 . 1 78 78 GLY H H 1 7.890257391 0.00372647779 . . . . . . . 78 GLY H . 53021 1 707 . 1 . 1 78 78 GLY HA2 H 1 3.946035732 0.009376272669 . . . . . . . 78 GLY HA# . 53021 1 708 . 1 . 1 78 78 GLY HA3 H 1 3.946035732 0.009376272669 . . . . . . . 78 GLY HA# . 53021 1 709 . 1 . 1 78 78 GLY C C 13 174.5167967 0.03656107818 . . . . . . . 78 GLY C . 53021 1 710 . 1 . 1 78 78 GLY CA C 13 46.58911893 0.1117464925 . . . . . . . 78 GLY CA . 53021 1 711 . 1 . 1 78 78 GLY N N 15 109.3719227 0.02699383005 . . . . . . . 78 GLY N . 53021 1 712 . 1 . 1 79 79 LYS H H 1 7.924334046 0.003046551698 . . . . . . . 79 LYS H . 53021 1 713 . 1 . 1 79 79 LYS HA H 1 4.66848293 0.001758282241 . . . . . . . 79 LYS HA . 53021 1 714 . 1 . 1 79 79 LYS HB2 H 1 1.796129969 0.1377024163 . . . . . . . 79 LYS HB2 . 53021 1 715 . 1 . 1 79 79 LYS HB3 H 1 1.345301672 0.01246671192 . . . . . . . 79 LYS HB3 . 53021 1 716 . 1 . 1 79 79 LYS HG2 H 1 1.545670841 0.0009547213275 . . . . . . . 79 LYS HG# . 53021 1 717 . 1 . 1 79 79 LYS HG3 H 1 1.545670841 0.0009547213275 . . . . . . . 79 LYS HG# . 53021 1 718 . 1 . 1 79 79 LYS HD2 H 1 1.672922428 0.002563134278 . . . . . . . 79 LYS HD# . 53021 1 719 . 1 . 1 79 79 LYS HD3 H 1 1.672922428 0.002563134278 . . . . . . . 79 LYS HD# . 53021 1 720 . 1 . 1 79 79 LYS HE2 H 1 2.973990969 0.002644266902 . . . . . . . 79 LYS HE# . 53021 1 721 . 1 . 1 79 79 LYS HE3 H 1 2.973990969 0.002644266902 . . . . . . . 79 LYS HE# . 53021 1 722 . 1 . 1 79 79 LYS C C 13 175.3456767 0.02711581277 . . . . . . . 79 LYS C . 53021 1 723 . 1 . 1 79 79 LYS CA C 13 53.60892129 0.03750149256 . . . . . . . 79 LYS CA . 53021 1 724 . 1 . 1 79 79 LYS CB C 13 35.82138096 0.1884122906 . . . . . . . 79 LYS CB . 53021 1 725 . 1 . 1 79 79 LYS CE C 13 41.88 0 . . . . . . . 79 LYS CE . 53021 1 726 . 1 . 1 79 79 LYS N N 15 118.0327625 0.08966919087 . . . . . . . 79 LYS N . 53021 1 727 . 1 . 1 80 80 GLU H H 1 8.412482308 0.005875644331 . . . . . . . 80 GLU H . 53021 1 728 . 1 . 1 80 80 GLU HA H 1 4.422063533 0.001736078183 . . . . . . . 80 GLU HA . 53021 1 729 . 1 . 1 80 80 GLU HB2 H 1 1.946933178 0.009048325611 . . . . . . . 80 GLU HB# . 53021 1 730 . 1 . 1 80 80 GLU HB3 H 1 1.946933178 0.009048325611 . . . . . . . 80 GLU HB# . 53021 1 731 . 1 . 1 80 80 GLU HG2 H 1 2.440850047 0.01574131974 . . . . . . . 80 GLU HG2 . 53021 1 732 . 1 . 1 80 80 GLU HG3 H 1 2.392575201 0.001180951018 . . . . . . . 80 GLU HG3 . 53021 1 733 . 1 . 1 80 80 GLU C C 13 178.7955417 0.01676928465 . . . . . . . 80 GLU C . 53021 1 734 . 1 . 1 80 80 GLU CA C 13 55.2930849 0.05458548689 . . . . . . . 80 GLU CA . 53021 1 735 . 1 . 1 80 80 GLU CB C 13 29.74896365 0.05991705124 . . . . . . . 80 GLU CB . 53021 1 736 . 1 . 1 80 80 GLU CG C 13 34.85170428 . . . . . . . . 80 GLU CG . 53021 1 737 . 1 . 1 80 80 GLU N N 15 118.7786322 0.04248323319 . . . . . . . 80 GLU N . 53021 1 738 . 1 . 1 81 81 MET H H 1 9.243326829 0.003652732518 . . . . . . . 81 MET H . 53021 1 739 . 1 . 1 81 81 MET HA H 1 3.91903266 0.006872108785 . . . . . . . 81 MET HA . 53021 1 740 . 1 . 1 81 81 MET HB2 H 1 2.167899561 0.002206076763 . . . . . . . 81 MET HB2 . 53021 1 741 . 1 . 1 81 81 MET HB3 H 1 2.093098825 0.001317459733 . . . . . . . 81 MET HB3 . 53021 1 742 . 1 . 1 81 81 MET HG2 H 1 2.609177865 0.005599584595 . . . . . . . 81 MET HG2 . 53021 1 743 . 1 . 1 81 81 MET HG3 H 1 2.484273322 0.002241400696 . . . . . . . 81 MET HG3 . 53021 1 744 . 1 . 1 81 81 MET C C 13 176.8683258 0.03690322855 . . . . . . . 81 MET C . 53021 1 745 . 1 . 1 81 81 MET CA C 13 60.05499695 0.04480123612 . . . . . . . 81 MET CA . 53021 1 746 . 1 . 1 81 81 MET CB C 13 33.22568087 0.1038161987 . . . . . . . 81 MET CB . 53021 1 747 . 1 . 1 81 81 MET CG C 13 32.01970428 0 . . . . . . . 81 MET CG . 53021 1 748 . 1 . 1 81 81 MET N N 15 124.9285678 0.03427877342 . . . . . . . 81 MET N . 53021 1 749 . 1 . 1 82 82 ASP H H 1 8.473498131 0.005758298518 . . . . . . . 82 ASP H . 53021 1 750 . 1 . 1 82 82 ASP HA H 1 4.618468642 0.0007441728483 . . . . . . . 82 ASP HA . 53021 1 751 . 1 . 1 82 82 ASP HB2 H 1 2.830243218 0.004841213158 . . . . . . . 82 ASP HB# . 53021 1 752 . 1 . 1 82 82 ASP HB3 H 1 2.830243218 0.004841213158 . . . . . . . 82 ASP HB# . 53021 1 753 . 1 . 1 82 82 ASP C C 13 176.209842 0.03764996812 . . . . . . . 82 ASP C . 53021 1 754 . 1 . 1 82 82 ASP CA C 13 55.31444574 0.03807288549 . . . . . . . 82 ASP CA . 53021 1 755 . 1 . 1 82 82 ASP CB C 13 39.23345789 0.05475428988 . . . . . . . 82 ASP CB . 53021 1 756 . 1 . 1 82 82 ASP N N 15 113.9960003 0.02690924089 . . . . . . . 82 ASP N . 53021 1 757 . 1 . 1 83 83 SER H H 1 7.918501575 0.008714367095 . . . . . . . 83 SER H . 53021 1 758 . 1 . 1 83 83 SER HA H 1 4.566308571 0.002073963665 . . . . . . . 83 SER HA . 53021 1 759 . 1 . 1 83 83 SER HB2 H 1 4.111533658 0.007696222749 . . . . . . . 83 SER HB2 . 53021 1 760 . 1 . 1 83 83 SER HB3 H 1 3.970210109 0.01663564262 . . . . . . . 83 SER HB3 . 53021 1 761 . 1 . 1 83 83 SER C C 13 173.2670998 0.03612031068 . . . . . . . 83 SER C . 53021 1 762 . 1 . 1 83 83 SER CA C 13 59.30393191 0.1949173589 . . . . . . . 83 SER CA . 53021 1 763 . 1 . 1 83 83 SER CB C 13 64.2401437 0.07798376145 . . . . . . . 83 SER CB . 53021 1 764 . 1 . 1 83 83 SER N N 15 114.2586729 0.01862106046 . . . . . . . 83 SER N . 53021 1 765 . 1 . 1 84 84 LEU H H 1 7.734442019 0.004502383802 . . . . . . . 84 LEU H . 53021 1 766 . 1 . 1 84 84 LEU HA H 1 4.853918212 0.004970235727 . . . . . . . 84 LEU HA . 53021 1 767 . 1 . 1 84 84 LEU HB2 H 1 1.714602276 0.004239753907 . . . . . . . 84 LEU HB# . 53021 1 768 . 1 . 1 84 84 LEU HB3 H 1 1.714602276 0.004239753907 . . . . . . . 84 LEU HB# . 53021 1 769 . 1 . 1 84 84 LEU HG H 1 1.547111902 0.0111699913 . . . . . . . 84 LEU HG . 53021 1 770 . 1 . 1 84 84 LEU HD11 H 1 0.8489656052 0.006591217998 . . . . . . . 84 LEU HD1# . 53021 1 771 . 1 . 1 84 84 LEU HD12 H 1 0.8489656052 0.006591217998 . . . . . . . 84 LEU HD1# . 53021 1 772 . 1 . 1 84 84 LEU HD13 H 1 0.8489656052 0.006591217998 . . . . . . . 84 LEU HD1# . 53021 1 773 . 1 . 1 84 84 LEU HD21 H 1 0.6780029272 0.01012361042 . . . . . . . 84 LEU HD2# . 53021 1 774 . 1 . 1 84 84 LEU HD22 H 1 0.6780029272 0.01012361042 . . . . . . . 84 LEU HD2# . 53021 1 775 . 1 . 1 84 84 LEU HD23 H 1 0.6780029272 0.01012361042 . . . . . . . 84 LEU HD2# . 53021 1 776 . 1 . 1 84 84 LEU C C 13 174.7959039 0.0287783436 . . . . . . . 84 LEU C . 53021 1 777 . 1 . 1 84 84 LEU CA C 13 53.71106116 0.05819186153 . . . . . . . 84 LEU CA . 53021 1 778 . 1 . 1 84 84 LEU CB C 13 45.98600776 0.08038098979 . . . . . . . 84 LEU CB . 53021 1 779 . 1 . 1 84 84 LEU CG C 13 27.79225875 0.2702639508 . . . . . . . 84 LEU CG . 53021 1 780 . 1 . 1 84 84 LEU CD1 C 13 26.07585214 0 . . . . . . . 84 LEU CD1 . 53021 1 781 . 1 . 1 84 84 LEU CD2 C 13 23.68578695 0.2367738692 . . . . . . . 84 LEU CD2 . 53021 1 782 . 1 . 1 84 84 LEU N N 15 123.0402762 0.05512652743 . . . . . . . 84 LEU N . 53021 1 783 . 1 . 1 85 85 ARG H H 1 8.676024091 0.008739062595 . . . . . . . 85 ARG H . 53021 1 784 . 1 . 1 85 85 ARG HA H 1 4.542728191 0.003062732405 . . . . . . . 85 ARG HA . 53021 1 785 . 1 . 1 85 85 ARG HB2 H 1 1.554866384 0.004199092911 . . . . . . . 85 ARG HB# . 53021 1 786 . 1 . 1 85 85 ARG HB3 H 1 1.554866384 0.004199092911 . . . . . . . 85 ARG HB# . 53021 1 787 . 1 . 1 85 85 ARG HG2 H 1 1.439825026 0.007745652679 . . . . . . . 85 ARG HG# . 53021 1 788 . 1 . 1 85 85 ARG HG3 H 1 1.439825026 0.007745652679 . . . . . . . 85 ARG HG# . 53021 1 789 . 1 . 1 85 85 ARG HD2 H 1 3.181678889 0.004398996119 . . . . . . . 85 ARG HD2 . 53021 1 790 . 1 . 1 85 85 ARG HD3 H 1 3.078375602 0.003574202794 . . . . . . . 85 ARG HD3 . 53021 1 791 . 1 . 1 85 85 ARG CA C 13 54.26569786 0.1022327894 . . . . . . . 85 ARG CA . 53021 1 792 . 1 . 1 85 85 ARG CB C 13 32.9631147 0.09005896435 . . . . . . . 85 ARG CB . 53021 1 793 . 1 . 1 85 85 ARG CG C 13 27.2 0 . . . . . . . 85 ARG CG . 53021 1 794 . 1 . 1 85 85 ARG CD C 13 43.1 0.000000674 . . . . . . . 85 ARG CD . 53021 1 795 . 1 . 1 85 85 ARG N N 15 119.6911203 0.007296077239 . . . . . . . 85 ARG N . 53021 1 796 . 1 . 1 86 86 PHE H H 1 8.950486258 0.002612687655 . . . . . . . 86 PHE H . 53021 1 797 . 1 . 1 86 86 PHE HA H 1 5.26877676 0.005434718008 . . . . . . . 86 PHE HA . 53021 1 798 . 1 . 1 86 86 PHE HB2 H 1 3.062539552 0.008873841354 . . . . . . . 86 PHE HB2 . 53021 1 799 . 1 . 1 86 86 PHE HB3 H 1 2.898452796 0.002395699071 . . . . . . . 86 PHE HB3 . 53021 1 800 . 1 . 1 86 86 PHE CA C 13 56.80668184 0.04726590314 . . . . . . . 86 PHE CA . 53021 1 801 . 1 . 1 86 86 PHE CB C 13 40.7269036 0.06624643159 . . . . . . . 86 PHE CB . 53021 1 802 . 1 . 1 86 86 PHE N N 15 122.5977313 0.04376243633 . . . . . . . 86 PHE N . 53021 1 803 . 1 . 1 87 87 LEU H H 1 9.425774617 0.006185527742 . . . . . . . 87 LEU H . 53021 1 804 . 1 . 1 87 87 LEU HA H 1 5.23737985 0.003560564774 . . . . . . . 87 LEU HA . 53021 1 805 . 1 . 1 87 87 LEU HB2 H 1 1.682498683 0.005444774198 . . . . . . . 87 LEU HB# . 53021 1 806 . 1 . 1 87 87 LEU HB3 H 1 1.682498683 0.005444774198 . . . . . . . 87 LEU HB# . 53021 1 807 . 1 . 1 87 87 LEU HG H 1 1.382970567 0.002362522946 . . . . . . . 87 LEU HG . 53021 1 808 . 1 . 1 87 87 LEU HD11 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 809 . 1 . 1 87 87 LEU HD12 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 810 . 1 . 1 87 87 LEU HD13 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 811 . 1 . 1 87 87 LEU HD21 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 812 . 1 . 1 87 87 LEU HD22 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 813 . 1 . 1 87 87 LEU HD23 H 1 0.6062287435 0.01205969232 . . . . . . . 87 LEU HD# . 53021 1 814 . 1 . 1 87 87 LEU C C 13 175.4366742 0.01748437966 . . . . . . . 87 LEU C . 53021 1 815 . 1 . 1 87 87 LEU CA C 13 53.77885503 0.1853113696 . . . . . . . 87 LEU CA . 53021 1 816 . 1 . 1 87 87 LEU CB C 13 46.34038694 0.03918705586 . . . . . . . 87 LEU CB . 53021 1 817 . 1 . 1 87 87 LEU CG C 13 28.19225875 0.2493512914 . . . . . . . 87 LEU CG . 53021 1 818 . 1 . 1 87 87 LEU N N 15 123.6671288 0.04109506809 . . . . . . . 87 LEU N . 53021 1 819 . 1 . 1 88 88 TYR H H 1 9.018688118 0.003245185059 . . . . . . . 88 TYR H . 53021 1 820 . 1 . 1 88 88 TYR HA H 1 5.08004145 0.006827595636 . . . . . . . 88 TYR HA . 53021 1 821 . 1 . 1 88 88 TYR HB2 H 1 2.812433848 0.01212256029 . . . . . . . 88 TYR HB2 . 53021 1 822 . 1 . 1 88 88 TYR HB3 H 1 2.79261236 0.01624744407 . . . . . . . 88 TYR HB3 . 53021 1 823 . 1 . 1 88 88 TYR C C 13 174.8095493 0.003021450951 . . . . . . . 88 TYR C . 53021 1 824 . 1 . 1 88 88 TYR CA C 13 56.09253021 0.07700772224 . . . . . . . 88 TYR CA . 53021 1 825 . 1 . 1 88 88 TYR CB C 13 41.37696378 0.03099418177 . . . . . . . 88 TYR CB . 53021 1 826 . 1 . 1 88 88 TYR N N 15 121.0685354 0.02291562776 . . . . . . . 88 TYR N . 53021 1 827 . 1 . 1 89 89 ASP H H 1 9.151124884 0.004301279068 . . . . . . . 89 ASP H . 53021 1 828 . 1 . 1 89 89 ASP HA H 1 4.050611331 0.002826544506 . . . . . . . 89 ASP HA . 53021 1 829 . 1 . 1 89 89 ASP HB2 H 1 2.840231949 0.003875875438 . . . . . . . 89 ASP HB2 . 53021 1 830 . 1 . 1 89 89 ASP HB3 H 1 1.983303317 0.00780946093 . . . . . . . 89 ASP HB3 . 53021 1 831 . 1 . 1 89 89 ASP CA C 13 54.0132998 0.008313164411 . . . . . . . 89 ASP CA . 53021 1 832 . 1 . 1 89 89 ASP CB C 13 37.20203603 0.04662856172 . . . . . . . 89 ASP CB . 53021 1 833 . 1 . 1 89 89 ASP N N 15 128.2731149 0.1019408052 . . . . . . . 89 ASP N . 53021 1 834 . 1 . 1 90 90 GLY H H 1 8.680128956 0.007519283451 . . . . . . . 90 GLY H . 53021 1 835 . 1 . 1 90 90 GLY HA2 H 1 4.101331154 0.00548013384 . . . . . . . 90 GLY HA2 . 53021 1 836 . 1 . 1 90 90 GLY HA3 H 1 3.456508811 0.004396307726 . . . . . . . 90 GLY HA3 . 53021 1 837 . 1 . 1 90 90 GLY CA C 13 45.38155631 0.04863165971 . . . . . . . 90 GLY CA . 53021 1 838 . 1 . 1 91 91 ILE H H 1 7.940923357 0.002642647267 . . . . . . . 91 ILE H . 53021 1 839 . 1 . 1 91 91 ILE HA H 1 4.288401545 0.002221324919 . . . . . . . 91 ILE HA . 53021 1 840 . 1 . 1 91 91 ILE HB H 1 2.070336989 0.002857001887 . . . . . . . 91 ILE HB . 53021 1 841 . 1 . 1 91 91 ILE HG12 H 1 1.492609087 0.003342260239 . . . . . . . 91 ILE HG12 . 53021 1 842 . 1 . 1 91 91 ILE HG13 H 1 1.12949996 0.04810947343 . . . . . . . 91 ILE HG13 . 53021 1 843 . 1 . 1 91 91 ILE HG21 H 1 0.9579601911 0.007700357601 . . . . . . . 91 ILE HG2# . 53021 1 844 . 1 . 1 91 91 ILE HG22 H 1 0.9579601911 0.007700357601 . . . . . . . 91 ILE HG2# . 53021 1 845 . 1 . 1 91 91 ILE HG23 H 1 0.9579601911 0.007700357601 . . . . . . . 91 ILE HG2# . 53021 1 846 . 1 . 1 91 91 ILE HD11 H 1 0.8452179422 0.002179664101 . . . . . . . 91 ILE HD1# . 53021 1 847 . 1 . 1 91 91 ILE HD12 H 1 0.8452179422 0.002179664101 . . . . . . . 91 ILE HD1# . 53021 1 848 . 1 . 1 91 91 ILE HD13 H 1 0.8452179422 0.002179664101 . . . . . . . 91 ILE HD1# . 53021 1 849 . 1 . 1 91 91 ILE C C 13 175.4254603 0.02949604442 . . . . . . . 91 ILE C . 53021 1 850 . 1 . 1 91 91 ILE CA C 13 59.5593261 0.02516568004 . . . . . . . 91 ILE CA . 53021 1 851 . 1 . 1 91 91 ILE CB C 13 39.9817542 0.1065841164 . . . . . . . 91 ILE CB . 53021 1 852 . 1 . 1 91 91 ILE CG1 C 13 27.7 0.0000004768 . . . . . . . 91 ILE CG1 . 53021 1 853 . 1 . 1 91 91 ILE CG2 C 13 17.47908466 0.05464959486 . . . . . . . 91 ILE CG2 . 53021 1 854 . 1 . 1 91 91 ILE CD1 C 13 12.15170428 0 . . . . . . . 91 ILE CD1 . 53021 1 855 . 1 . 1 91 91 ILE N N 15 122.1903187 0.01893795964 . . . . . . . 91 ILE N . 53021 1 856 . 1 . 1 92 92 ARG H H 1 8.671480233 0.004033316478 . . . . . . . 92 ARG H . 53021 1 857 . 1 . 1 92 92 ARG HA H 1 4.604397729 0.00688245304 . . . . . . . 92 ARG HA . 53021 1 858 . 1 . 1 92 92 ARG HB2 H 1 1.826608555 0.003288309507 . . . . . . . 92 ARG HB# . 53021 1 859 . 1 . 1 92 92 ARG HB3 H 1 1.826608555 0.003288309507 . . . . . . . 92 ARG HB# . 53021 1 860 . 1 . 1 92 92 ARG HG2 H 1 1.709317407 0.007834688198 . . . . . . . 92 ARG HG# . 53021 1 861 . 1 . 1 92 92 ARG HG3 H 1 1.709317407 0.007834688198 . . . . . . . 92 ARG HG# . 53021 1 862 . 1 . 1 92 92 ARG HD2 H 1 3.194040108 0.002596783993 . . . . . . . 92 ARG HD# . 53021 1 863 . 1 . 1 92 92 ARG HD3 H 1 3.194040108 0.002596783993 . . . . . . . 92 ARG HD# . 53021 1 864 . 1 . 1 92 92 ARG C C 13 176.4189882 0.02145732032 . . . . . . . 92 ARG C . 53021 1 865 . 1 . 1 92 92 ARG CA C 13 57.01954406 0.07738464425 . . . . . . . 92 ARG CA . 53021 1 866 . 1 . 1 92 92 ARG CB C 13 30.27004494 0.1086826432 . . . . . . . 92 ARG CB . 53021 1 867 . 1 . 1 92 92 ARG CG C 13 28.44829572 0 . . . . . . . 92 ARG CG . 53021 1 868 . 1 . 1 92 92 ARG CD C 13 43.72414786 0 . . . . . . . 92 ARG CD . 53021 1 869 . 1 . 1 92 92 ARG N N 15 127.1460825 0.03358332061 . . . . . . . 92 ARG N . 53021 1 870 . 1 . 1 93 93 ILE H H 1 8.619277671 0.005569757606 . . . . . . . 93 ILE H . 53021 1 871 . 1 . 1 93 93 ILE HA H 1 4.314789705 0.002361620843 . . . . . . . 93 ILE HA . 53021 1 872 . 1 . 1 93 93 ILE HB H 1 1.658268897 0.007138299803 . . . . . . . 93 ILE HB . 53021 1 873 . 1 . 1 93 93 ILE HG12 H 1 1.500502496 0.002769417735 . . . . . . . 93 ILE HG1# . 53021 1 874 . 1 . 1 93 93 ILE HG13 H 1 1.500502496 0.002769417735 . . . . . . . 93 ILE HG1# . 53021 1 875 . 1 . 1 93 93 ILE HG21 H 1 0.8660101839 0.00698221321 . . . . . . . 93 ILE HG2# . 53021 1 876 . 1 . 1 93 93 ILE HG22 H 1 0.8660101839 0.00698221321 . . . . . . . 93 ILE HG2# . 53021 1 877 . 1 . 1 93 93 ILE HG23 H 1 0.8660101839 0.00698221321 . . . . . . . 93 ILE HG2# . 53021 1 878 . 1 . 1 93 93 ILE HD11 H 1 0.6103675249 0.008896752239 . . . . . . . 93 ILE HD1# . 53021 1 879 . 1 . 1 93 93 ILE HD12 H 1 0.6103675249 0.008896752239 . . . . . . . 93 ILE HD1# . 53021 1 880 . 1 . 1 93 93 ILE HD13 H 1 0.6103675249 0.008896752239 . . . . . . . 93 ILE HD1# . 53021 1 881 . 1 . 1 93 93 ILE CA C 13 61.32643798 0.02896919295 . . . . . . . 93 ILE CA . 53021 1 882 . 1 . 1 93 93 ILE CB C 13 39.73390868 0.2727243755 . . . . . . . 93 ILE CB . 53021 1 883 . 1 . 1 93 93 ILE CG1 C 13 27.07585214 0 . . . . . . . 93 ILE CG1 . 53021 1 884 . 1 . 1 93 93 ILE CG2 C 13 19.37244358 0 . . . . . . . 93 ILE CG2 . 53021 1 885 . 1 . 1 93 93 ILE CD1 C 13 15.27244358 0 . . . . . . . 93 ILE CD1 . 53021 1 886 . 1 . 1 93 93 ILE N N 15 125.8269882 0.07984449146 . . . . . . . 93 ILE N . 53021 1 887 . 1 . 1 94 94 GLN H H 1 8.395155843 0.004183020786 . . . . . . . 94 GLN H . 53021 1 888 . 1 . 1 94 94 GLN HA H 1 4.620458161 0.007703173286 . . . . . . . 94 GLN HA . 53021 1 889 . 1 . 1 94 94 GLN HB2 H 1 1.75302968 0.0187172753 . . . . . . . 94 GLN HB# . 53021 1 890 . 1 . 1 94 94 GLN HB3 H 1 1.75302968 0.0187172753 . . . . . . . 94 GLN HB# . 53021 1 891 . 1 . 1 94 94 GLN HG2 H 1 2.347064643 0.01764799282 . . . . . . . 94 GLN HG# . 53021 1 892 . 1 . 1 94 94 GLN HG3 H 1 2.347064643 0.01764799282 . . . . . . . 94 GLN HG# . 53021 1 893 . 1 . 1 94 94 GLN C C 13 176.3828509 0.01206085391 . . . . . . . 94 GLN C . 53021 1 894 . 1 . 1 94 94 GLN CA C 13 54.31207041 0.2696259691 . . . . . . . 94 GLN CA . 53021 1 895 . 1 . 1 94 94 GLN CB C 13 32.13000285 1.230361769 . . . . . . . 94 GLN CB . 53021 1 896 . 1 . 1 94 94 GLN CG C 13 30.50340856 0 . . . . . . . 94 GLN CG . 53021 1 897 . 1 . 1 94 94 GLN N N 15 122.6738029 0.107378612 . . . . . . . 94 GLN N . 53021 1 898 . 1 . 1 95 95 ALA H H 1 8.533369683 0.00596380864 . . . . . . . 95 ALA H . 53021 1 899 . 1 . 1 95 95 ALA HA H 1 3.73845984 0.003244101306 . . . . . . . 95 ALA HA . 53021 1 900 . 1 . 1 95 95 ALA HB1 H 1 1.295996599 0.00161995961 . . . . . . . 95 ALA HB# . 53021 1 901 . 1 . 1 95 95 ALA HB2 H 1 1.295996599 0.00161995961 . . . . . . . 95 ALA HB# . 53021 1 902 . 1 . 1 95 95 ALA HB3 H 1 1.295996599 0.00161995961 . . . . . . . 95 ALA HB# . 53021 1 903 . 1 . 1 95 95 ALA C C 13 175.8511174 0.6469756945 . . . . . . . 95 ALA C . 53021 1 904 . 1 . 1 95 95 ALA CA C 13 54.84501736 0.06691749876 . . . . . . . 95 ALA CA . 53021 1 905 . 1 . 1 95 95 ALA CB C 13 19.05287399 0.1035694176 . . . . . . . 95 ALA CB . 53021 1 906 . 1 . 1 95 95 ALA N N 15 122.5105213 0.02399619123 . . . . . . . 95 ALA N . 53021 1 907 . 1 . 1 96 96 ASP H H 1 7.972627181 0.005001433224 . . . . . . . 96 ASP H . 53021 1 908 . 1 . 1 96 96 ASP HA H 1 4.652621844 0.004921958268 . . . . . . . 96 ASP HA . 53021 1 909 . 1 . 1 96 96 ASP HB2 H 1 2.723466556 0.002860868549 . . . . . . . 96 ASP HB# . 53021 1 910 . 1 . 1 96 96 ASP HB3 H 1 2.723466556 0.002860868549 . . . . . . . 96 ASP HB# . 53021 1 911 . 1 . 1 96 96 ASP C C 13 176.9737814 0.01507322042 . . . . . . . 96 ASP C . 53021 1 912 . 1 . 1 96 96 ASP CA C 13 54.0692439 0.05253567968 . . . . . . . 96 ASP CA . 53021 1 913 . 1 . 1 96 96 ASP CB C 13 40.50348475 0.09186548565 . . . . . . . 96 ASP CB . 53021 1 914 . 1 . 1 96 96 ASP N N 15 110.1499999 0.03260212015 . . . . . . . 96 ASP N . 53021 1 915 . 1 . 1 97 97 GLN H H 1 7.721636085 0.006729219195 . . . . . . . 97 GLN H . 53021 1 916 . 1 . 1 97 97 GLN HA H 1 4.450518881 0.003641852895 . . . . . . . 97 GLN HA . 53021 1 917 . 1 . 1 97 97 GLN HB2 H 1 1.785463745 0.007454211011 . . . . . . . 97 GLN HB# . 53021 1 918 . 1 . 1 97 97 GLN HB3 H 1 1.785463745 0.007454211011 . . . . . . . 97 GLN HB# . 53021 1 919 . 1 . 1 97 97 GLN HG2 H 1 2.407858444 0.008303655314 . . . . . . . 97 GLN HG# . 53021 1 920 . 1 . 1 97 97 GLN HG3 H 1 2.407858444 0.008303655314 . . . . . . . 97 GLN HG# . 53021 1 921 . 1 . 1 97 97 GLN C C 13 174.6339518 0.01251820415 . . . . . . . 97 GLN C . 53021 1 922 . 1 . 1 97 97 GLN CA C 13 56.27415813 0.05368799729 . . . . . . . 97 GLN CA . 53021 1 923 . 1 . 1 97 97 GLN CB C 13 30.72658079 0.1187715042 . . . . . . . 97 GLN CB . 53021 1 924 . 1 . 1 97 97 GLN CG C 13 36.41955382 0.01382663934 . . . . . . . 97 GLN CG . 53021 1 925 . 1 . 1 97 97 GLN N N 15 119.1812957 0.01371530597 . . . . . . . 97 GLN N . 53021 1 926 . 1 . 1 98 98 THR H H 1 8.535668879 0.01309564209 . . . . . . . 98 THR H . 53021 1 927 . 1 . 1 98 98 THR HA H 1 4.956786722 0.004299870381 . . . . . . . 98 THR HA . 53021 1 928 . 1 . 1 98 98 THR HB H 1 4.462436152 0.01133543572 . . . . . . . 98 THR HB . 53021 1 929 . 1 . 1 98 98 THR HG21 H 1 0.9115259231 0.002972894493 . . . . . . . 98 THR HG2# . 53021 1 930 . 1 . 1 98 98 THR HG22 H 1 0.9115259231 0.002972894493 . . . . . . . 98 THR HG2# . 53021 1 931 . 1 . 1 98 98 THR HG23 H 1 0.9115259231 0.002972894493 . . . . . . . 98 THR HG2# . 53021 1 932 . 1 . 1 98 98 THR C C 13 173.7195373 . . . . . . . . 98 THR C . 53021 1 933 . 1 . 1 98 98 THR CA C 13 58.55231853 0.7661588276 . . . . . . . 98 THR CA . 53021 1 934 . 1 . 1 98 98 THR CB C 13 64.18438253 0 . . . . . . . 98 THR CB . 53021 1 935 . 1 . 1 98 98 THR CG2 C 13 21 . . . . . . . . 98 THR CG2 . 53021 1 936 . 1 . 1 98 98 THR N N 15 111.0568493 0.1243513691 . . . . . . . 98 THR N . 53021 1 937 . 1 . 1 100 100 GLU H H 1 8.087418408 0.002309817002 . . . . . . . 100 GLU H . 53021 1 938 . 1 . 1 100 100 GLU HA H 1 4.150975894 0.003070222154 . . . . . . . 100 GLU HA . 53021 1 939 . 1 . 1 100 100 GLU HB2 H 1 1.88697938 0.01180771634 . . . . . . . 100 GLU HB# . 53021 1 940 . 1 . 1 100 100 GLU HB3 H 1 1.88697938 0.01180771634 . . . . . . . 100 GLU HB# . 53021 1 941 . 1 . 1 100 100 GLU HG2 H 1 2.288150867 0.008900890111 . . . . . . . 100 GLU HG# . 53021 1 942 . 1 . 1 100 100 GLU HG3 H 1 2.288150867 0.008900890111 . . . . . . . 100 GLU HG# . 53021 1 943 . 1 . 1 100 100 GLU C C 13 178.7044187 0.4083115424 . . . . . . . 100 GLU C . 53021 1 944 . 1 . 1 100 100 GLU CA C 13 58.74727046 0.05064575497 . . . . . . . 100 GLU CA . 53021 1 945 . 1 . 1 100 100 GLU CB C 13 29.19555311 0.1108992341 . . . . . . . 100 GLU CB . 53021 1 946 . 1 . 1 100 100 GLU CG C 13 34.22755642 0 . . . . . . . 100 GLU CG . 53021 1 947 . 1 . 1 100 100 GLU N N 15 115.5910423 0.01320135515 . . . . . . . 100 GLU N . 53021 1 948 . 1 . 1 101 101 ASP H H 1 7.987599703 0.003691869988 . . . . . . . 101 ASP H . 53021 1 949 . 1 . 1 101 101 ASP HA H 1 4.304142978 0.004651143444 . . . . . . . 101 ASP HA . 53021 1 950 . 1 . 1 101 101 ASP HB2 H 1 3.14885897 0.003771059963 . . . . . . . 101 ASP HB2 . 53021 1 951 . 1 . 1 101 101 ASP HB3 H 1 2.792689566 0.00408536818 . . . . . . . 101 ASP HB3 . 53021 1 952 . 1 . 1 101 101 ASP C C 13 177.2759358 0.02764840585 . . . . . . . 101 ASP C . 53021 1 953 . 1 . 1 101 101 ASP CA C 13 57.21103719 0.02031557564 . . . . . . . 101 ASP CA . 53021 1 954 . 1 . 1 101 101 ASP CB C 13 40.40532726 0.05946209283 . . . . . . . 101 ASP CB . 53021 1 955 . 1 . 1 101 101 ASP N N 15 120.8949474 0.02880063385 . . . . . . . 101 ASP N . 53021 1 956 . 1 . 1 102 102 LEU H H 1 7.013130123 0.005789756156 . . . . . . . 102 LEU H . 53021 1 957 . 1 . 1 102 102 LEU HA H 1 4.38260963 0.006765039045 . . . . . . . 102 LEU HA . 53021 1 958 . 1 . 1 102 102 LEU HB2 H 1 1.753151919 0.008528545947 . . . . . . . 102 LEU HB2 . 53021 1 959 . 1 . 1 102 102 LEU HB3 H 1 1.381429474 0.009584980868 . . . . . . . 102 LEU HB3 . 53021 1 960 . 1 . 1 102 102 LEU HG H 1 1.51205728 0.0016299879 . . . . . . . 102 LEU HG . 53021 1 961 . 1 . 1 102 102 LEU HD11 H 1 0.8894109959 0.004155157762 . . . . . . . 102 LEU HD1# . 53021 1 962 . 1 . 1 102 102 LEU HD12 H 1 0.8894109959 0.004155157762 . . . . . . . 102 LEU HD1# . 53021 1 963 . 1 . 1 102 102 LEU HD13 H 1 0.8894109959 0.004155157762 . . . . . . . 102 LEU HD1# . 53021 1 964 . 1 . 1 102 102 LEU HD21 H 1 0.7309856242 0.001595330743 . . . . . . . 102 LEU HD2# . 53021 1 965 . 1 . 1 102 102 LEU HD22 H 1 0.7309856242 0.001595330743 . . . . . . . 102 LEU HD2# . 53021 1 966 . 1 . 1 102 102 LEU HD23 H 1 0.7309856242 0.001595330743 . . . . . . . 102 LEU HD2# . 53021 1 967 . 1 . 1 102 102 LEU C C 13 174.9361995 0.05642337766 . . . . . . . 102 LEU C . 53021 1 968 . 1 . 1 102 102 LEU CA C 13 54.10863785 0.1016192041 . . . . . . . 102 LEU CA . 53021 1 969 . 1 . 1 102 102 LEU CB C 13 43.20115255 0.03981983878 . . . . . . . 102 LEU CB . 53021 1 970 . 1 . 1 102 102 LEU CG C 13 27.32012322 0.2326061735 . . . . . . . 102 LEU CG . 53021 1 971 . 1 . 1 102 102 LEU CD1 C 13 22.72820234 0.0257450923 . . . . . . . 102 LEU CD1 . 53021 1 972 . 1 . 1 102 102 LEU CD2 C 13 25.86129385 0.03969085644 . . . . . . . 102 LEU CD2 . 53021 1 973 . 1 . 1 102 102 LEU N N 15 116.6889762 0.02807385238 . . . . . . . 102 LEU N . 53021 1 974 . 1 . 1 103 103 ASP H H 1 7.842941063 0.003219820321 . . . . . . . 103 ASP H . 53021 1 975 . 1 . 1 103 103 ASP HA H 1 4.393846717 0.003845682209 . . . . . . . 103 ASP HA . 53021 1 976 . 1 . 1 103 103 ASP HB2 H 1 3.163952728 0.008229920698 . . . . . . . 103 ASP HB2 . 53021 1 977 . 1 . 1 103 103 ASP HB3 H 1 2.727753469 0.01602945357 . . . . . . . 103 ASP HB3 . 53021 1 978 . 1 . 1 103 103 ASP C C 13 174.7183904 0.03365568997 . . . . . . . 103 ASP C . 53021 1 979 . 1 . 1 103 103 ASP CA C 13 54.66062926 0.1513211692 . . . . . . . 103 ASP CA . 53021 1 980 . 1 . 1 103 103 ASP CB C 13 38.27483048 0.04601917166 . . . . . . . 103 ASP CB . 53021 1 981 . 1 . 1 103 103 ASP N N 15 116.9275549 0.02843194801 . . . . . . . 103 ASP N . 53021 1 982 . 1 . 1 104 104 MET H H 1 7.563232957 0.005024843807 . . . . . . . 104 MET H . 53021 1 983 . 1 . 1 104 104 MET HA H 1 4.328004087 0.003932225281 . . . . . . . 104 MET HA . 53021 1 984 . 1 . 1 104 104 MET HB2 H 1 1.845366599 0.006392630327 . . . . . . . 104 MET HB2 . 53021 1 985 . 1 . 1 104 104 MET HB3 H 1 1.325170025 0.003788987852 . . . . . . . 104 MET HB3 . 53021 1 986 . 1 . 1 104 104 MET HG2 H 1 2.287420185 0.006525281176 . . . . . . . 104 MET HG2 . 53021 1 987 . 1 . 1 104 104 MET HG3 H 1 1.521044522 0.004326432941 . . . . . . . 104 MET HG3 . 53021 1 988 . 1 . 1 104 104 MET C C 13 175.5599083 0.02568153404 . . . . . . . 104 MET C . 53021 1 989 . 1 . 1 104 104 MET CA C 13 57.44440939 0.06873000437 . . . . . . . 104 MET CA . 53021 1 990 . 1 . 1 104 104 MET CB C 13 35.01570613 0.2787617456 . . . . . . . 104 MET CB . 53021 1 991 . 1 . 1 104 104 MET CG C 13 34.37585214 0.000000674 . . . . . . . 104 MET CG . 53021 1 992 . 1 . 1 104 104 MET N N 15 114.5828318 0.01339693527 . . . . . . . 104 MET N . 53021 1 993 . 1 . 1 105 105 GLU H H 1 8.682120843 0.005983179671 . . . . . . . 105 GLU H . 53021 1 994 . 1 . 1 105 105 GLU HA H 1 4.58963291 0.006721565613 . . . . . . . 105 GLU HA . 53021 1 995 . 1 . 1 105 105 GLU HB2 H 1 1.810394262 0.01085637854 . . . . . . . 105 GLU HB# . 53021 1 996 . 1 . 1 105 105 GLU HB3 H 1 1.810394262 0.01085637854 . . . . . . . 105 GLU HB# . 53021 1 997 . 1 . 1 105 105 GLU HG2 H 1 2.318936462 0.01422736019 . . . . . . . 105 GLU HG# . 53021 1 998 . 1 . 1 105 105 GLU HG3 H 1 2.318936462 0.01422736019 . . . . . . . 105 GLU HG# . 53021 1 999 . 1 . 1 105 105 GLU C C 13 174.4651769 0.01113697518 . . . . . . . 105 GLU C . 53021 1 1000 . 1 . 1 105 105 GLU CA C 13 53.56137855 0.05659229744 . . . . . . . 105 GLU CA . 53021 1 1001 . 1 . 1 105 105 GLU CB C 13 32.82234711 0.2763390222 . . . . . . . 105 GLU CB . 53021 1 1002 . 1 . 1 105 105 GLU CG C 13 35.37585214 0 . . . . . . . 105 GLU CG . 53021 1 1003 . 1 . 1 105 105 GLU N N 15 119.1662154 0.008566025767 . . . . . . . 105 GLU N . 53021 1 1004 . 1 . 1 106 106 ASP H H 1 8.391777149 0.01703804232 . . . . . . . 106 ASP H . 53021 1 1005 . 1 . 1 106 106 ASP HA H 1 4.587907241 0.002903599584 . . . . . . . 106 ASP HA . 53021 1 1006 . 1 . 1 106 106 ASP HB2 H 1 2.647141515 0.003651271823 . . . . . . . 106 ASP HB# . 53021 1 1007 . 1 . 1 106 106 ASP HB3 H 1 2.647141515 0.003651271823 . . . . . . . 106 ASP HB# . 53021 1 1008 . 1 . 1 106 106 ASP C C 13 177.3651749 0.007003741586 . . . . . . . 106 ASP C . 53021 1 1009 . 1 . 1 106 106 ASP CA C 13 56.48415538 0.02985919876 . . . . . . . 106 ASP CA . 53021 1 1010 . 1 . 1 106 106 ASP CB C 13 41.62310189 0.04109096362 . . . . . . . 106 ASP CB . 53021 1 1011 . 1 . 1 106 106 ASP N N 15 117.8764467 0.002871484069 . . . . . . . 106 ASP N . 53021 1 1012 . 1 . 1 107 107 ASN H H 1 9.657067464 0.007251858094 . . . . . . . 107 ASN H . 53021 1 1013 . 1 . 1 107 107 ASN HA H 1 4.234777079 0.007866056942 . . . . . . . 107 ASN HA . 53021 1 1014 . 1 . 1 107 107 ASN HB2 H 1 3.28876043 0.004769510614 . . . . . . . 107 ASN HB2 . 53021 1 1015 . 1 . 1 107 107 ASN HB3 H 1 3.049313472 0.001584807033 . . . . . . . 107 ASN HB3 . 53021 1 1016 . 1 . 1 107 107 ASN C C 13 174.4193865 0.03546652295 . . . . . . . 107 ASN C . 53021 1 1017 . 1 . 1 107 107 ASN CA C 13 55.45659851 0.06436669989 . . . . . . . 107 ASN CA . 53021 1 1018 . 1 . 1 107 107 ASN CB C 13 36.99442933 0.03952533965 . . . . . . . 107 ASN CB . 53021 1 1019 . 1 . 1 107 107 ASN N N 15 116.5412317 0.03633408741 . . . . . . . 107 ASN N . 53021 1 1020 . 1 . 1 108 108 ASP H H 1 7.953881193 0.009012863044 . . . . . . . 108 ASP H . 53021 1 1021 . 1 . 1 108 108 ASP HA H 1 4.8754414 0.00783983521 . . . . . . . 108 ASP HA . 53021 1 1022 . 1 . 1 108 108 ASP HB2 H 1 3.090408114 0.009197852358 . . . . . . . 108 ASP HB2 . 53021 1 1023 . 1 . 1 108 108 ASP HB3 H 1 2.774330423 0.005634340237 . . . . . . . 108 ASP HB3 . 53021 1 1024 . 1 . 1 108 108 ASP C C 13 173.6611094 0.009225683662 . . . . . . . 108 ASP C . 53021 1 1025 . 1 . 1 108 108 ASP CA C 13 55.29453236 0.03437791048 . . . . . . . 108 ASP CA . 53021 1 1026 . 1 . 1 108 108 ASP CB C 13 42.55779647 0.1485177625 . . . . . . . 108 ASP CB . 53021 1 1027 . 1 . 1 108 108 ASP N N 15 120.3146141 0.02214781046 . . . . . . . 108 ASP N . 53021 1 1028 . 1 . 1 109 109 ILE H H 1 8.184662288 0.004478846561 . . . . . . . 109 ILE H . 53021 1 1029 . 1 . 1 109 109 ILE HA H 1 4.990194627 0.01566441339 . . . . . . . 109 ILE HA . 53021 1 1030 . 1 . 1 109 109 ILE HB H 1 1.71990472 0.003824232421 . . . . . . . 109 ILE HB . 53021 1 1031 . 1 . 1 109 109 ILE HG12 H 1 0.917337078 0.01272857455 . . . . . . . 109 ILE HG1# . 53021 1 1032 . 1 . 1 109 109 ILE HG13 H 1 0.917337078 0.01272857455 . . . . . . . 109 ILE HG1# . 53021 1 1033 . 1 . 1 109 109 ILE HG21 H 1 0.8784186213 0.01312815293 . . . . . . . 109 ILE HG2# . 53021 1 1034 . 1 . 1 109 109 ILE HG22 H 1 0.8784186213 0.01312815293 . . . . . . . 109 ILE HG2# . 53021 1 1035 . 1 . 1 109 109 ILE HG23 H 1 0.8784186213 0.01312815293 . . . . . . . 109 ILE HG2# . 53021 1 1036 . 1 . 1 109 109 ILE HD11 H 1 0.9063608479 0.02719758491 . . . . . . . 109 ILE HD1# . 53021 1 1037 . 1 . 1 109 109 ILE HD12 H 1 0.9063608479 0.02719758491 . . . . . . . 109 ILE HD1# . 53021 1 1038 . 1 . 1 109 109 ILE HD13 H 1 0.9063608479 0.02719758491 . . . . . . . 109 ILE HD1# . 53021 1 1039 . 1 . 1 109 109 ILE C C 13 175.6485979 0.01642479639 . . . . . . . 109 ILE C . 53021 1 1040 . 1 . 1 109 109 ILE CA C 13 59.90883372 0.07328796589 . . . . . . . 109 ILE CA . 53021 1 1041 . 1 . 1 109 109 ILE CB C 13 42.27098529 0.2057467356 . . . . . . . 109 ILE CB . 53021 1 1042 . 1 . 1 109 109 ILE CG1 C 13 28.94829572 0 . . . . . . . 109 ILE CG1 . 53021 1 1043 . 1 . 1 109 109 ILE CG2 C 13 17.5 0 . . . . . . . 109 ILE CG2 . 53021 1 1044 . 1 . 1 109 109 ILE CD1 C 13 13.755 0 . . . . . . . 109 ILE CD1 . 53021 1 1045 . 1 . 1 109 109 ILE N N 15 116.3987617 0.0235334597 . . . . . . . 109 ILE N . 53021 1 1046 . 1 . 1 110 110 ILE H H 1 9.16462677 0.01264153557 . . . . . . . 110 ILE H . 53021 1 1047 . 1 . 1 110 110 ILE HA H 1 4.66795918 0.003095501843 . . . . . . . 110 ILE HA . 53021 1 1048 . 1 . 1 110 110 ILE HB H 1 1.72723207 0.004014944771 . . . . . . . 110 ILE HB . 53021 1 1049 . 1 . 1 110 110 ILE HG12 H 1 1.57761988 0.00225015847 . . . . . . . 110 ILE HG1# . 53021 1 1050 . 1 . 1 110 110 ILE HG13 H 1 1.57761988 0.00225015847 . . . . . . . 110 ILE HG1# . 53021 1 1051 . 1 . 1 110 110 ILE HG21 H 1 0.8607612508 0.01505938445 . . . . . . . 110 ILE HG2# . 53021 1 1052 . 1 . 1 110 110 ILE HG22 H 1 0.8607612508 0.01505938445 . . . . . . . 110 ILE HG2# . 53021 1 1053 . 1 . 1 110 110 ILE HG23 H 1 0.8607612508 0.01505938445 . . . . . . . 110 ILE HG2# . 53021 1 1054 . 1 . 1 110 110 ILE HD11 H 1 0.7603424817 0.1050746721 . . . . . . . 110 ILE HD1# . 53021 1 1055 . 1 . 1 110 110 ILE HD12 H 1 0.7603424817 0.1050746721 . . . . . . . 110 ILE HD1# . 53021 1 1056 . 1 . 1 110 110 ILE HD13 H 1 0.7603424817 0.1050746721 . . . . . . . 110 ILE HD1# . 53021 1 1057 . 1 . 1 110 110 ILE C C 13 174.8802197 0.008857591104 . . . . . . . 110 ILE C . 53021 1 1058 . 1 . 1 110 110 ILE CA C 13 59.23207349 1.14990207 . . . . . . . 110 ILE CA . 53021 1 1059 . 1 . 1 110 110 ILE CB C 13 40.94007403 0.1377999733 . . . . . . . 110 ILE CB . 53021 1 1060 . 1 . 1 110 110 ILE CG1 C 13 28.32414786 0.0000004768 . . . . . . . 110 ILE CG1 . 53021 1 1061 . 1 . 1 110 110 ILE CD1 C 13 14.64829572 0 . . . . . . . 110 ILE CD1 . 53021 1 1062 . 1 . 1 110 110 ILE N N 15 127.3764356 0.06201200045 . . . . . . . 110 ILE N . 53021 1 1063 . 1 . 1 111 111 GLU H H 1 9.010941264 0.006545291484 . . . . . . . 111 GLU H . 53021 1 1064 . 1 . 1 111 111 GLU HA H 1 4.980612843 0.00532642549 . . . . . . . 111 GLU HA . 53021 1 1065 . 1 . 1 111 111 GLU HB2 H 1 1.942683618 0.009528002256 . . . . . . . 111 GLU HB# . 53021 1 1066 . 1 . 1 111 111 GLU HB3 H 1 1.942683618 0.009528002256 . . . . . . . 111 GLU HB# . 53021 1 1067 . 1 . 1 111 111 GLU HG2 H 1 2.403392793 0.004540027072 . . . . . . . 111 GLU HG2 . 53021 1 1068 . 1 . 1 111 111 GLU HG3 H 1 2.233472785 0.003681128744 . . . . . . . 111 GLU HG3 . 53021 1 1069 . 1 . 1 111 111 GLU C C 13 175.0908905 0.06220371702 . . . . . . . 111 GLU C . 53021 1 1070 . 1 . 1 111 111 GLU CA C 13 54.51047582 0.07662626909 . . . . . . . 111 GLU CA . 53021 1 1071 . 1 . 1 111 111 GLU CB C 13 31.62256802 0.1357484818 . . . . . . . 111 GLU CB . 53021 1 1072 . 1 . 1 111 111 GLU CG C 13 34.85170428 0.000000674 . . . . . . . 111 GLU CG . 53021 1 1073 . 1 . 1 111 111 GLU N N 15 125.7671761 0.1012445209 . . . . . . . 111 GLU N . 53021 1 1074 . 1 . 1 112 112 ALA H H 1 8.51392515 0.004906233358 . . . . . . . 112 ALA H . 53021 1 1075 . 1 . 1 112 112 ALA HA H 1 4.773131996 0.01028707498 . . . . . . . 112 ALA HA . 53021 1 1076 . 1 . 1 112 112 ALA HB1 H 1 0.5410574102 0.006379962836 . . . . . . . 112 ALA HB# . 53021 1 1077 . 1 . 1 112 112 ALA HB2 H 1 0.5410574102 0.006379962836 . . . . . . . 112 ALA HB# . 53021 1 1078 . 1 . 1 112 112 ALA HB3 H 1 0.5410574102 0.006379962836 . . . . . . . 112 ALA HB# . 53021 1 1079 . 1 . 1 112 112 ALA C C 13 176.2153735 0.02964251643 . . . . . . . 112 ALA C . 53021 1 1080 . 1 . 1 112 112 ALA CA C 13 49.9270715 0.06473589572 . . . . . . . 112 ALA CA . 53021 1 1081 . 1 . 1 112 112 ALA CB C 13 21.94477142 0.4237698343 . . . . . . . 112 ALA CB . 53021 1 1082 . 1 . 1 112 112 ALA N N 15 126.4869848 0.1025866316 . . . . . . . 112 ALA N . 53021 1 1083 . 1 . 1 113 113 HIS H H 1 8.732060369 0.003074161994 . . . . . . . 113 HIS H . 53021 1 1084 . 1 . 1 113 113 HIS HA H 1 4.824316478 0.007162307289 . . . . . . . 113 HIS HA . 53021 1 1085 . 1 . 1 113 113 HIS HB2 H 1 3.207930065 0.005417670829 . . . . . . . 113 HIS HB2 . 53021 1 1086 . 1 . 1 113 113 HIS HB3 H 1 2.807830829 0.007752148879 . . . . . . . 113 HIS HB3 . 53021 1 1087 . 1 . 1 113 113 HIS C C 13 173.5979432 0.02972391578 . . . . . . . 113 HIS C . 53021 1 1088 . 1 . 1 113 113 HIS CA C 13 53.66406144 0.07688131628 . . . . . . . 113 HIS CA . 53021 1 1089 . 1 . 1 113 113 HIS CB C 13 32.07258478 0.05623893507 . . . . . . . 113 HIS CB . 53021 1 1090 . 1 . 1 113 113 HIS N N 15 118.7040028 0.03607105374 . . . . . . . 113 HIS N . 53021 1 1091 . 1 . 1 114 114 ARG H H 1 8.827864064 0.005883429072 . . . . . . . 114 ARG H . 53021 1 1092 . 1 . 1 114 114 ARG HA H 1 4.453066917 0.01049452141 . . . . . . . 114 ARG HA . 53021 1 1093 . 1 . 1 114 114 ARG HB2 H 1 1.861603524 0.002432099299 . . . . . . . 114 ARG HB# . 53021 1 1094 . 1 . 1 114 114 ARG HB3 H 1 1.861603524 0.002432099299 . . . . . . . 114 ARG HB# . 53021 1 1095 . 1 . 1 114 114 ARG HG2 H 1 1.74288278 0.003312482153 . . . . . . . 114 ARG HG# . 53021 1 1096 . 1 . 1 114 114 ARG HG3 H 1 1.74288278 0.003312482153 . . . . . . . 114 ARG HG# . 53021 1 1097 . 1 . 1 114 114 ARG HD2 H 1 3.219005337 0.001171616404 . . . . . . . 114 ARG HD# . 53021 1 1098 . 1 . 1 114 114 ARG HD3 H 1 3.219005337 0.001171616404 . . . . . . . 114 ARG HD# . 53021 1 1099 . 1 . 1 114 114 ARG C C 13 176.2619144 0.03345668678 . . . . . . . 114 ARG C . 53021 1 1100 . 1 . 1 114 114 ARG CA C 13 56.73207132 0.04120223096 . . . . . . . 114 ARG CA . 53021 1 1101 . 1 . 1 114 114 ARG CB C 13 30.88371143 0.1146082419 . . . . . . . 114 ARG CB . 53021 1 1102 . 1 . 1 114 114 ARG CG C 13 27.82414786 0 . . . . . . . 114 ARG CG . 53021 1 1103 . 1 . 1 114 114 ARG N N 15 123.1023151 0.002763433221 . . . . . . . 114 ARG N . 53021 1 1104 . 1 . 1 115 115 GLU H H 1 8.424219662 0.005983350525 . . . . . . . 115 GLU H . 53021 1 1105 . 1 . 1 115 115 GLU HA H 1 4.349668957 0.00503641736 . . . . . . . 115 GLU HA . 53021 1 1106 . 1 . 1 115 115 GLU HB2 H 1 1.932637677 0.007378252788 . . . . . . . 115 GLU HB# . 53021 1 1107 . 1 . 1 115 115 GLU HB3 H 1 1.932637677 0.007378252788 . . . . . . . 115 GLU HB# . 53021 1 1108 . 1 . 1 115 115 GLU HG2 H 1 2.259684273 0.006107929688 . . . . . . . 115 GLU HG# . 53021 1 1109 . 1 . 1 115 115 GLU HG3 H 1 2.259684273 0.006107929688 . . . . . . . 115 GLU HG# . 53021 1 1110 . 1 . 1 115 115 GLU C C 13 175.5433492 0.02075465602 . . . . . . . 115 GLU C . 53021 1 1111 . 1 . 1 115 115 GLU CA C 13 56.3705978 0.5925455391 . . . . . . . 115 GLU CA . 53021 1 1112 . 1 . 1 115 115 GLU CB C 13 30.06087616 0.09022330159 . . . . . . . 115 GLU CB . 53021 1 1113 . 1 . 1 115 115 GLU CG C 13 34.85170428 0 . . . . . . . 115 GLU CG . 53021 1 1114 . 1 . 1 115 115 GLU N N 15 124.1659508 0.01917579558 . . . . . . . 115 GLU N . 53021 1 1115 . 1 . 1 116 116 GLN H H 1 8.506218263 0.004896032795 . . . . . . . 116 GLN H . 53021 1 1116 . 1 . 1 116 116 GLN HA H 1 4.393887981 0.004101054726 . . . . . . . 116 GLN HA . 53021 1 1117 . 1 . 1 116 116 GLN HB2 H 1 1.988067641 0.003008874515 . . . . . . . 116 GLN HB# . 53021 1 1118 . 1 . 1 116 116 GLN HB3 H 1 1.988067641 0.003008874515 . . . . . . . 116 GLN HB# . 53021 1 1119 . 1 . 1 116 116 GLN HG2 H 1 2.310149304 0.003225544987 . . . . . . . 116 GLN HG# . 53021 1 1120 . 1 . 1 116 116 GLN HG3 H 1 2.310149304 0.003225544987 . . . . . . . 116 GLN HG# . 53021 1 1121 . 1 . 1 116 116 GLN CA C 13 55.54484005 0.07327112203 . . . . . . . 116 GLN CA . 53021 1 1122 . 1 . 1 116 116 GLN CB C 13 29.86583992 0.04027730051 . . . . . . . 116 GLN CB . 53021 1 1123 . 1 . 1 116 116 GLN CG C 13 33.73450666 0.8298635366 . . . . . . . 116 GLN CG . 53021 1 1124 . 1 . 1 116 116 GLN N N 15 122.8060044 0.01757329077 . . . . . . . 116 GLN N . 53021 1 1125 . 1 . 1 117 117 ILE H H 1 8.335613861 0.004633728636 . . . . . . . 117 ILE H . 53021 1 1126 . 1 . 1 117 117 ILE HA H 1 4.148518573 0.005597830926 . . . . . . . 117 ILE HA . 53021 1 1127 . 1 . 1 117 117 ILE HB H 1 1.849804648 0.003212701734 . . . . . . . 117 ILE HB . 53021 1 1128 . 1 . 1 117 117 ILE HG12 H 1 1.480037443 0.004871016592 . . . . . . . 117 ILE HG12 . 53021 1 1129 . 1 . 1 117 117 ILE HG13 H 1 1.189779663 0.003299231217 . . . . . . . 117 ILE HG13 . 53021 1 1130 . 1 . 1 117 117 ILE HG21 H 1 0.9024949892 0.002146439269 . . . . . . . 117 ILE HG2# . 53021 1 1131 . 1 . 1 117 117 ILE HG22 H 1 0.9024949892 0.002146439269 . . . . . . . 117 ILE HG2# . 53021 1 1132 . 1 . 1 117 117 ILE HG23 H 1 0.9024949892 0.002146439269 . . . . . . . 117 ILE HG2# . 53021 1 1133 . 1 . 1 117 117 ILE HD11 H 1 0.8460877559 0.00694339732 . . . . . . . 117 ILE HD1# . 53021 1 1134 . 1 . 1 117 117 ILE HD12 H 1 0.8460877559 0.00694339732 . . . . . . . 117 ILE HD1# . 53021 1 1135 . 1 . 1 117 117 ILE HD13 H 1 0.8460877559 0.00694339732 . . . . . . . 117 ILE HD1# . 53021 1 1136 . 1 . 1 117 117 ILE C C 13 176.7481735 0.01382692015 . . . . . . . 117 ILE C . 53021 1 1137 . 1 . 1 117 117 ILE CA C 13 61.56601841 0.01561066192 . . . . . . . 117 ILE CA . 53021 1 1138 . 1 . 1 117 117 ILE CB C 13 38.5823537 0.0408325713 . . . . . . . 117 ILE CB . 53021 1 1139 . 1 . 1 117 117 ILE CG1 C 13 27.7 0.0000004768 . . . . . . . 117 ILE CG1 . 53021 1 1140 . 1 . 1 117 117 ILE CG2 C 13 17.5 0 . . . . . . . 117 ILE CG2 . 53021 1 1141 . 1 . 1 117 117 ILE CD1 C 13 12.77585214 0 . . . . . . . 117 ILE CD1 . 53021 1 1142 . 1 . 1 117 117 ILE N N 15 123.3535164 0.01948456661 . . . . . . . 117 ILE N . 53021 1 1143 . 1 . 1 118 118 GLY H H 1 8.556516123 0.00585835083 . . . . . . . 118 GLY H . 53021 1 1144 . 1 . 1 118 118 GLY HA2 H 1 4.040444873 0.005520468859 . . . . . . . 118 GLY HA2 . 53021 1 1145 . 1 . 1 118 118 GLY HA3 H 1 3.898817992 0.006347059712 . . . . . . . 118 GLY HA3 . 53021 1 1146 . 1 . 1 118 118 GLY C C 13 173.6838747 0.02202475435 . . . . . . . 118 GLY C . 53021 1 1147 . 1 . 1 118 118 GLY CA C 13 45.36510303 0.1557428529 . . . . . . . 118 GLY CA . 53021 1 1148 . 1 . 1 118 118 GLY N N 15 114.0330085 0.001654120542 . . . . . . . 118 GLY N . 53021 1 1149 . 1 . 1 119 119 GLY H H 1 7.981589033 0.002638836206 . . . . . . . 119 GLY H . 53021 1 1150 . 1 . 1 119 119 GLY HA2 H 1 3.786436296 0.002497869308 . . . . . . . 119 GLY HA# . 53021 1 1151 . 1 . 1 119 119 GLY HA3 H 1 3.786436296 0.002497869308 . . . . . . . 119 GLY HA# . 53021 1 1152 . 1 . 1 119 119 GLY C C 13 178.8131117 0 . . . . . . . 119 GLY C . 53021 1 1153 . 1 . 1 119 119 GLY CA C 13 45.93391738 0.2942261224 . . . . . . . 119 GLY CA . 53021 1 1154 . 1 . 1 119 119 GLY N N 15 114.5878722 0.008125896164 . . . . . . . 119 GLY N . 53021 1 stop_ save_