################################### # 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 51948 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '2D 1H-15N HSQC' . . . 51948 1 2 '3D CBCA(CO)NH' . . . 51948 1 3 '3D CBCANH' . . . 51948 1 4 '3D HNCO' . . . 51948 1 5 '3D HBHA(CO)NH' . . . 51948 1 6 '3D H(CCO)NH' . . . 51948 1 7 '3D C(CO)NH' . . . 51948 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 3 $software_3 . . 51948 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 7 7 HIS HA H 1 4.454 0.006 . . . . . . . 447 HIS HA . 51948 1 2 . 1 . 1 7 7 HIS HB2 H 1 3.000 0.005 . . . . . . . 447 HIS HB2 . 51948 1 3 . 1 . 1 7 7 HIS HB3 H 1 2.914 0.006 . . . . . . . 447 HIS HB3 . 51948 1 4 . 1 . 1 7 7 HIS C C 13 172.603 0.000 . . . . . . . 447 HIS C . 51948 1 5 . 1 . 1 7 7 HIS CA C 13 53.112 0.022 . . . . . . . 447 HIS CA . 51948 1 6 . 1 . 1 7 7 HIS CB C 13 27.160 0.115 . . . . . . . 447 HIS CB . 51948 1 7 . 1 . 1 8 8 GLY H H 1 8.393 0.009 . . . . . . . 448 GLY H . 51948 1 8 . 1 . 1 8 8 GLY HA2 H 1 3.806 0.006 . . . . . . . 448 GLY HA2 . 51948 1 9 . 1 . 1 8 8 GLY C C 13 171.373 0.000 . . . . . . . 448 GLY C . 51948 1 10 . 1 . 1 8 8 GLY CA C 13 42.279 0.017 . . . . . . . 448 GLY CA . 51948 1 11 . 1 . 1 8 8 GLY N N 15 110.553 0.046 . . . . . . . 448 GLY N . 51948 1 12 . 1 . 1 9 9 SER H H 1 8.297 0.006 . . . . . . . 449 SER H . 51948 1 13 . 1 . 1 9 9 SER HA H 1 4.304 0.005 . . . . . . . 449 SER HA . 51948 1 14 . 1 . 1 9 9 SER HB2 H 1 3.703 0.006 . . . . . . . 449 SER HB2 . 51948 1 15 . 1 . 1 9 9 SER C C 13 172.384 0.000 . . . . . . . 449 SER C . 51948 1 16 . 1 . 1 9 9 SER CA C 13 55.517 0.000 . . . . . . . 449 SER CA . 51948 1 17 . 1 . 1 9 9 SER CB C 13 60.924 0.059 . . . . . . . 449 SER CB . 51948 1 18 . 1 . 1 9 9 SER N N 15 115.764 0.041 . . . . . . . 449 SER N . 51948 1 19 . 1 . 1 10 10 GLY H H 1 8.474 0.005 . . . . . . . 450 GLY H . 51948 1 20 . 1 . 1 10 10 GLY HA2 H 1 3.824 0.005 . . . . . . . 450 GLY HA2 . 51948 1 21 . 1 . 1 10 10 GLY C C 13 171.530 0.000 . . . . . . . 450 GLY C . 51948 1 22 . 1 . 1 10 10 GLY CA C 13 42.385 0.013 . . . . . . . 450 GLY CA . 51948 1 23 . 1 . 1 10 10 GLY N N 15 110.930 0.041 . . . . . . . 450 GLY N . 51948 1 24 . 1 . 1 11 11 THR H H 1 8.009 0.004 . . . . . . . 451 THR H . 51948 1 25 . 1 . 1 11 11 THR HA H 1 4.157 0.006 . . . . . . . 451 THR HA . 51948 1 26 . 1 . 1 11 11 THR HB H 1 4.026 0.007 . . . . . . . 451 THR HB . 51948 1 27 . 1 . 1 11 11 THR HG21 H 1 0.967 0.000 . . . . . . . 451 THR HG21 . 51948 1 28 . 1 . 1 11 11 THR HG22 H 1 0.967 0.000 . . . . . . . 451 THR HG21 . 51948 1 29 . 1 . 1 11 11 THR HG23 H 1 0.967 0.000 . . . . . . . 451 THR HG21 . 51948 1 30 . 1 . 1 11 11 THR C C 13 171.597 0.000 . . . . . . . 451 THR C . 51948 1 31 . 1 . 1 11 11 THR CA C 13 58.821 0.043 . . . . . . . 451 THR CA . 51948 1 32 . 1 . 1 11 11 THR CB C 13 66.815 0.097 . . . . . . . 451 THR CB . 51948 1 33 . 1 . 1 11 11 THR CG2 C 13 18.645 0.000 . . . . . . . 451 THR CG2 . 51948 1 34 . 1 . 1 11 11 THR N N 15 113.181 0.032 . . . . . . . 451 THR N . 51948 1 35 . 1 . 1 12 12 ASN H H 1 8.429 0.005 . . . . . . . 452 ASN H . 51948 1 36 . 1 . 1 12 12 ASN HA H 1 4.530 0.005 . . . . . . . 452 ASN HA . 51948 1 37 . 1 . 1 12 12 ASN HB2 H 1 2.625 0.000 . . . . . . . 452 ASN HB2 . 51948 1 38 . 1 . 1 12 12 ASN HB3 H 1 2.561 0.003 . . . . . . . 452 ASN HB3 . 51948 1 39 . 1 . 1 12 12 ASN C C 13 172.348 0.000 . . . . . . . 452 ASN C . 51948 1 40 . 1 . 1 12 12 ASN CA C 13 50.358 0.019 . . . . . . . 452 ASN CA . 51948 1 41 . 1 . 1 12 12 ASN CB C 13 35.691 0.035 . . . . . . . 452 ASN CB . 51948 1 42 . 1 . 1 12 12 ASN N N 15 121.074 0.068 . . . . . . . 452 ASN N . 51948 1 43 . 1 . 1 13 13 VAL H H 1 7.930 0.005 . . . . . . . 453 VAL H . 51948 1 44 . 1 . 1 13 13 VAL HA H 1 3.896 0.003 . . . . . . . 453 VAL HA . 51948 1 45 . 1 . 1 13 13 VAL HB H 1 1.857 0.004 . . . . . . . 453 VAL HB . 51948 1 46 . 1 . 1 13 13 VAL HG11 H 1 0.675 0.000 . . . . . . . 453 VAL HG11 . 51948 1 47 . 1 . 1 13 13 VAL HG12 H 1 0.675 0.000 . . . . . . . 453 VAL HG11 . 51948 1 48 . 1 . 1 13 13 VAL HG13 H 1 0.675 0.000 . . . . . . . 453 VAL HG11 . 51948 1 49 . 1 . 1 13 13 VAL HG21 H 1 0.675 0.000 . . . . . . . 453 VAL HG21 . 51948 1 50 . 1 . 1 13 13 VAL HG22 H 1 0.675 0.000 . . . . . . . 453 VAL HG21 . 51948 1 51 . 1 . 1 13 13 VAL HG23 H 1 0.675 0.000 . . . . . . . 453 VAL HG21 . 51948 1 52 . 1 . 1 13 13 VAL C C 13 172.797 0.000 . . . . . . . 453 VAL C . 51948 1 53 . 1 . 1 13 13 VAL CA C 13 59.271 0.084 . . . . . . . 453 VAL CA . 51948 1 54 . 1 . 1 13 13 VAL CB C 13 29.645 0.150 . . . . . . . 453 VAL CB . 51948 1 55 . 1 . 1 13 13 VAL CG2 C 13 17.891 0.000 . . . . . . . 453 VAL CG2 . 51948 1 56 . 1 . 1 13 13 VAL N N 15 119.662 0.047 . . . . . . . 453 VAL N . 51948 1 57 . 1 . 1 14 14 ASP H H 1 8.269 0.004 . . . . . . . 454 ASP H . 51948 1 58 . 1 . 1 14 14 ASP HA H 1 4.434 0.005 . . . . . . . 454 ASP HA . 51948 1 59 . 1 . 1 14 14 ASP HB2 H 1 2.554 0.001 . . . . . . . 454 ASP HB2 . 51948 1 60 . 1 . 1 14 14 ASP HB3 H 1 2.401 0.004 . . . . . . . 454 ASP HB3 . 51948 1 61 . 1 . 1 14 14 ASP C C 13 173.581 0.000 . . . . . . . 454 ASP C . 51948 1 62 . 1 . 1 14 14 ASP CA C 13 51.252 0.096 . . . . . . . 454 ASP CA . 51948 1 63 . 1 . 1 14 14 ASP CB C 13 38.150 0.008 . . . . . . . 454 ASP CB . 51948 1 64 . 1 . 1 14 14 ASP N N 15 123.609 0.043 . . . . . . . 454 ASP N . 51948 1 65 . 1 . 1 15 15 LEU H H 1 8.211 0.004 . . . . . . . 455 LEU H . 51948 1 66 . 1 . 1 15 15 LEU HA H 1 4.089 0.004 . . . . . . . 455 LEU HA . 51948 1 67 . 1 . 1 15 15 LEU HB2 H 1 1.441 0.000 . . . . . . . 455 LEU HB2 . 51948 1 68 . 1 . 1 15 15 LEU C C 13 175.412 0.000 . . . . . . . 455 LEU C . 51948 1 69 . 1 . 1 15 15 LEU CA C 13 52.583 0.040 . . . . . . . 455 LEU CA . 51948 1 70 . 1 . 1 15 15 LEU CB C 13 39.206 0.028 . . . . . . . 455 LEU CB . 51948 1 71 . 1 . 1 15 15 LEU N N 15 123.431 0.059 . . . . . . . 455 LEU N . 51948 1 72 . 1 . 1 16 16 GLY H H 1 8.402 0.004 . . . . . . . 456 GLY H . 51948 1 73 . 1 . 1 16 16 GLY HA2 H 1 3.776 0.005 . . . . . . . 456 GLY HA2 . 51948 1 74 . 1 . 1 16 16 GLY C C 13 171.809 0.000 . . . . . . . 456 GLY C . 51948 1 75 . 1 . 1 16 16 GLY CA C 13 42.606 0.037 . . . . . . . 456 GLY CA . 51948 1 76 . 1 . 1 16 16 GLY N N 15 108.780 0.046 . . . . . . . 456 GLY N . 51948 1 77 . 1 . 1 17 17 THR H H 1 7.851 0.004 . . . . . . . 457 THR H . 51948 1 78 . 1 . 1 17 17 THR HA H 1 4.135 0.004 . . . . . . . 457 THR HA . 51948 1 79 . 1 . 1 17 17 THR HB H 1 3.860 0.018 . . . . . . . 457 THR HB . 51948 1 80 . 1 . 1 17 17 THR C C 13 171.936 0.000 . . . . . . . 457 THR C . 51948 1 81 . 1 . 1 17 17 THR CA C 13 58.916 0.077 . . . . . . . 457 THR CA . 51948 1 82 . 1 . 1 17 17 THR CB C 13 66.793 0.175 . . . . . . . 457 THR CB . 51948 1 83 . 1 . 1 17 17 THR CG2 C 13 18.568 0.000 . . . . . . . 457 THR CG2 . 51948 1 84 . 1 . 1 17 17 THR N N 15 113.413 0.028 . . . . . . . 457 THR N . 51948 1 85 . 1 . 1 18 18 LEU H H 1 8.172 0.004 . . . . . . . 458 LEU H . 51948 1 86 . 1 . 1 18 18 LEU HA H 1 4.174 0.002 . . . . . . . 458 LEU HA . 51948 1 87 . 1 . 1 18 18 LEU HB2 H 1 1.415 0.009 . . . . . . . 458 LEU HB2 . 51948 1 88 . 1 . 1 18 18 LEU C C 13 174.619 0.000 . . . . . . . 458 LEU C . 51948 1 89 . 1 . 1 18 18 LEU CA C 13 52.249 0.101 . . . . . . . 458 LEU CA . 51948 1 90 . 1 . 1 18 18 LEU CB C 13 39.284 0.012 . . . . . . . 458 LEU CB . 51948 1 91 . 1 . 1 18 18 LEU N N 15 124.318 0.078 . . . . . . . 458 LEU N . 51948 1 92 . 1 . 1 19 19 GLU H H 1 8.281 0.004 . . . . . . . 459 GLU H . 51948 1 93 . 1 . 1 19 19 GLU HA H 1 4.092 0.006 . . . . . . . 459 GLU HA . 51948 1 94 . 1 . 1 19 19 GLU HB2 H 1 1.856 0.005 . . . . . . . 459 GLU HB2 . 51948 1 95 . 1 . 1 19 19 GLU HB3 H 1 1.754 0.005 . . . . . . . 459 GLU HB3 . 51948 1 96 . 1 . 1 19 19 GLU HG2 H 1 2.063 0.000 . . . . . . . 459 GLU HG2 . 51948 1 97 . 1 . 1 19 19 GLU C C 13 174.191 0.000 . . . . . . . 459 GLU C . 51948 1 98 . 1 . 1 19 19 GLU CA C 13 53.787 0.045 . . . . . . . 459 GLU CA . 51948 1 99 . 1 . 1 19 19 GLU CB C 13 27.360 0.060 . . . . . . . 459 GLU CB . 51948 1 100 . 1 . 1 19 19 GLU CG C 13 33.194 0.000 . . . . . . . 459 GLU CG . 51948 1 101 . 1 . 1 19 19 GLU N N 15 121.282 0.053 . . . . . . . 459 GLU N . 51948 1 102 . 1 . 1 20 20 GLY H H 1 8.255 0.005 . . . . . . . 460 GLY H . 51948 1 103 . 1 . 1 20 20 GLY HA2 H 1 3.785 0.006 . . . . . . . 460 GLY HA2 . 51948 1 104 . 1 . 1 20 20 GLY C C 13 171.299 0.000 . . . . . . . 460 GLY C . 51948 1 105 . 1 . 1 20 20 GLY CA C 13 42.374 0.020 . . . . . . . 460 GLY CA . 51948 1 106 . 1 . 1 20 20 GLY N N 15 109.866 0.030 . . . . . . . 460 GLY N . 51948 1 107 . 1 . 1 21 21 ASP H H 1 8.188 0.004 . . . . . . . 461 ASP H . 51948 1 108 . 1 . 1 21 21 ASP HA H 1 4.414 0.005 . . . . . . . 461 ASP HA . 51948 1 109 . 1 . 1 21 21 ASP HB2 H 1 2.507 0.004 . . . . . . . 461 ASP HB2 . 51948 1 110 . 1 . 1 21 21 ASP C C 13 174.306 0.000 . . . . . . . 461 ASP C . 51948 1 111 . 1 . 1 21 21 ASP CA C 13 51.514 0.113 . . . . . . . 461 ASP CA . 51948 1 112 . 1 . 1 21 21 ASP CB C 13 38.275 0.038 . . . . . . . 461 ASP CB . 51948 1 113 . 1 . 1 21 21 ASP N N 15 120.402 0.034 . . . . . . . 461 ASP N . 51948 1 114 . 1 . 1 22 22 GLY H H 1 8.357 0.004 . . . . . . . 462 GLY H . 51948 1 115 . 1 . 1 22 22 GLY HA2 H 1 3.737 0.004 . . . . . . . 462 GLY HA2 . 51948 1 116 . 1 . 1 22 22 GLY C C 13 171.549 0.000 . . . . . . . 462 GLY C . 51948 1 117 . 1 . 1 22 22 GLY CA C 13 42.645 0.029 . . . . . . . 462 GLY CA . 51948 1 118 . 1 . 1 22 22 GLY N N 15 108.989 0.040 . . . . . . . 462 GLY N . 51948 1 119 . 1 . 1 23 23 MET H H 1 8.082 0.003 . . . . . . . 463 MET H . 51948 1 120 . 1 . 1 23 23 MET HA H 1 4.286 0.005 . . . . . . . 463 MET HA . 51948 1 121 . 1 . 1 23 23 MET HB2 H 1 1.833 0.003 . . . . . . . 463 MET HB2 . 51948 1 122 . 1 . 1 23 23 MET HG2 H 1 2.359 0.000 . . . . . . . 463 MET HG2 . 51948 1 123 . 1 . 1 23 23 MET HG3 H 1 2.266 0.000 . . . . . . . 463 MET HG3 . 51948 1 124 . 1 . 1 23 23 MET C C 13 173.151 0.000 . . . . . . . 463 MET C . 51948 1 125 . 1 . 1 23 23 MET CA C 13 52.390 0.056 . . . . . . . 463 MET CA . 51948 1 126 . 1 . 1 23 23 MET CB C 13 29.823 0.033 . . . . . . . 463 MET CB . 51948 1 127 . 1 . 1 23 23 MET CG C 13 28.551 0.000 . . . . . . . 463 MET CG . 51948 1 128 . 1 . 1 23 23 MET N N 15 119.142 0.033 . . . . . . . 463 MET N . 51948 1 129 . 1 . 1 24 24 ASN H H 1 8.432 0.004 . . . . . . . 464 ASN H . 51948 1 130 . 1 . 1 24 24 ASN HA H 1 4.535 0.005 . . . . . . . 464 ASN HA . 51948 1 131 . 1 . 1 24 24 ASN HB2 H 1 2.617 0.004 . . . . . . . 464 ASN HB2 . 51948 1 132 . 1 . 1 24 24 ASN HB3 H 1 2.539 0.005 . . . . . . . 464 ASN HB3 . 51948 1 133 . 1 . 1 24 24 ASN C C 13 172.253 0.000 . . . . . . . 464 ASN C . 51948 1 134 . 1 . 1 24 24 ASN CA C 13 50.120 0.119 . . . . . . . 464 ASN CA . 51948 1 135 . 1 . 1 24 24 ASN CB C 13 35.797 0.042 . . . . . . . 464 ASN CB . 51948 1 136 . 1 . 1 24 24 ASN N N 15 119.993 0.039 . . . . . . . 464 ASN N . 51948 1 137 . 1 . 1 25 25 ILE H H 1 8.098 0.005 . . . . . . . 465 ILE H . 51948 1 138 . 1 . 1 25 25 ILE HA H 1 3.979 0.000 . . . . . . . 465 ILE HA . 51948 1 139 . 1 . 1 25 25 ILE HB H 1 1.667 0.012 . . . . . . . 465 ILE HB . 51948 1 140 . 1 . 1 25 25 ILE HG12 H 1 1.018 0.000 . . . . . . . 465 ILE HG12 . 51948 1 141 . 1 . 1 25 25 ILE HG21 H 1 0.672 0.000 . . . . . . . 465 ILE HG21 . 51948 1 142 . 1 . 1 25 25 ILE HG22 H 1 0.672 0.000 . . . . . . . 465 ILE HG21 . 51948 1 143 . 1 . 1 25 25 ILE HG23 H 1 0.672 0.000 . . . . . . . 465 ILE HG21 . 51948 1 144 . 1 . 1 25 25 ILE HD11 H 1 0.620 0.000 . . . . . . . 465 ILE HD11 . 51948 1 145 . 1 . 1 25 25 ILE HD12 H 1 0.620 0.000 . . . . . . . 465 ILE HD11 . 51948 1 146 . 1 . 1 25 25 ILE HD13 H 1 0.620 0.000 . . . . . . . 465 ILE HD11 . 51948 1 147 . 1 . 1 25 25 ILE C C 13 173.534 0.000 . . . . . . . 465 ILE C . 51948 1 148 . 1 . 1 25 25 ILE CA C 13 58.258 0.119 . . . . . . . 465 ILE CA . 51948 1 149 . 1 . 1 25 25 ILE CB C 13 35.663 0.190 . . . . . . . 465 ILE CB . 51948 1 150 . 1 . 1 25 25 ILE CG1 C 13 24.202 0.000 . . . . . . . 465 ILE CG1 . 51948 1 151 . 1 . 1 25 25 ILE CG2 C 13 14.878 0.000 . . . . . . . 465 ILE CG2 . 51948 1 152 . 1 . 1 25 25 ILE CD1 C 13 10.221 0.000 . . . . . . . 465 ILE CD1 . 51948 1 153 . 1 . 1 25 25 ILE N N 15 121.288 0.058 . . . . . . . 465 ILE N . 51948 1 154 . 1 . 1 26 26 GLU H H 1 8.429 0.004 . . . . . . . 466 GLU H . 51948 1 155 . 1 . 1 26 26 GLU HA H 1 4.098 0.006 . . . . . . . 466 GLU HA . 51948 1 156 . 1 . 1 26 26 GLU HB2 H 1 1.860 0.005 . . . . . . . 466 GLU HB2 . 51948 1 157 . 1 . 1 26 26 GLU HB3 H 1 1.761 0.007 . . . . . . . 466 GLU HB3 . 51948 1 158 . 1 . 1 26 26 GLU HG2 H 1 2.068 0.000 . . . . . . . 466 GLU HG2 . 51948 1 159 . 1 . 1 26 26 GLU C C 13 174.135 0.000 . . . . . . . 466 GLU C . 51948 1 160 . 1 . 1 26 26 GLU CA C 13 53.841 0.050 . . . . . . . 466 GLU CA . 51948 1 161 . 1 . 1 26 26 GLU CB C 13 27.172 0.044 . . . . . . . 466 GLU CB . 51948 1 162 . 1 . 1 26 26 GLU CG C 13 33.204 0.000 . . . . . . . 466 GLU CG . 51948 1 163 . 1 . 1 26 26 GLU N N 15 124.893 0.079 . . . . . . . 466 GLU N . 51948 1 164 . 1 . 1 27 27 GLY H H 1 8.318 0.004 . . . . . . . 467 GLY H . 51948 1 165 . 1 . 1 27 27 GLY HA2 H 1 3.775 0.005 . . . . . . . 467 GLY HA2 . 51948 1 166 . 1 . 1 27 27 GLY C C 13 171.355 0.000 . . . . . . . 467 GLY C . 51948 1 167 . 1 . 1 27 27 GLY CA C 13 42.316 0.003 . . . . . . . 467 GLY CA . 51948 1 168 . 1 . 1 27 27 GLY N N 15 110.197 0.032 . . . . . . . 467 GLY N . 51948 1 169 . 1 . 1 28 28 GLU H H 1 8.137 0.004 . . . . . . . 468 GLU H . 51948 1 170 . 1 . 1 28 28 GLU HA H 1 4.107 0.004 . . . . . . . 468 GLU HA . 51948 1 171 . 1 . 1 28 28 GLU HB2 H 1 1.860 0.002 . . . . . . . 468 GLU HB2 . 51948 1 172 . 1 . 1 28 28 GLU HB3 H 1 1.727 0.006 . . . . . . . 468 GLU HB3 . 51948 1 173 . 1 . 1 28 28 GLU HG2 H 1 2.037 0.000 . . . . . . . 468 GLU HG2 . 51948 1 174 . 1 . 1 28 28 GLU C C 13 173.690 0.000 . . . . . . . 468 GLU C . 51948 1 175 . 1 . 1 28 28 GLU CA C 13 53.468 0.056 . . . . . . . 468 GLU CA . 51948 1 176 . 1 . 1 28 28 GLU CB C 13 27.476 0.146 . . . . . . . 468 GLU CB . 51948 1 177 . 1 . 1 28 28 GLU CG C 13 33.204 0.000 . . . . . . . 468 GLU CG . 51948 1 178 . 1 . 1 28 28 GLU N N 15 120.453 0.046 . . . . . . . 468 GLU N . 51948 1 179 . 1 . 1 29 29 GLU H H 1 8.466 0.005 . . . . . . . 469 GLU H . 51948 1 180 . 1 . 1 29 29 GLU HA H 1 4.069 0.005 . . . . . . . 469 GLU HA . 51948 1 181 . 1 . 1 29 29 GLU HB2 H 1 1.815 0.003 . . . . . . . 469 GLU HB2 . 51948 1 182 . 1 . 1 29 29 GLU HB3 H 1 1.743 0.005 . . . . . . . 469 GLU HB3 . 51948 1 183 . 1 . 1 29 29 GLU HG2 H 1 2.049 0.000 . . . . . . . 469 GLU HG2 . 51948 1 184 . 1 . 1 29 29 GLU C C 13 173.452 0.000 . . . . . . . 469 GLU C . 51948 1 185 . 1 . 1 29 29 GLU CA C 13 53.553 0.062 . . . . . . . 469 GLU CA . 51948 1 186 . 1 . 1 29 29 GLU CB C 13 27.133 0.048 . . . . . . . 469 GLU CB . 51948 1 187 . 1 . 1 29 29 GLU CG C 13 33.181 0.000 . . . . . . . 469 GLU CG . 51948 1 188 . 1 . 1 29 29 GLU N N 15 121.987 0.043 . . . . . . . 469 GLU N . 51948 1 189 . 1 . 1 30 30 LEU H H 1 8.181 0.005 . . . . . . . 470 LEU H . 51948 1 190 . 1 . 1 30 30 LEU HA H 1 4.143 0.000 . . . . . . . 470 LEU HA . 51948 1 191 . 1 . 1 30 30 LEU HB2 H 1 1.386 0.000 . . . . . . . 470 LEU HB2 . 51948 1 192 . 1 . 1 30 30 LEU C C 13 174.313 0.000 . . . . . . . 470 LEU C . 51948 1 193 . 1 . 1 30 30 LEU CA C 13 51.909 0.004 . . . . . . . 470 LEU CA . 51948 1 194 . 1 . 1 30 30 LEU CB C 13 39.388 0.088 . . . . . . . 470 LEU CB . 51948 1 195 . 1 . 1 30 30 LEU N N 15 123.630 0.059 . . . . . . . 470 LEU N . 51948 1 196 . 1 . 1 31 31 MET H H 1 8.269 0.005 . . . . . . . 471 MET H . 51948 1 197 . 1 . 1 31 31 MET CA C 13 53.645 0.000 . . . . . . . 471 MET CA . 51948 1 198 . 1 . 1 31 31 MET CB C 13 29.326 0.000 . . . . . . . 471 MET CB . 51948 1 199 . 1 . 1 31 31 MET N N 15 122.482 0.045 . . . . . . . 471 MET N . 51948 1 200 . 1 . 1 32 32 PRO HA H 1 4.236 0.006 . . . . . . . 472 PRO HA . 51948 1 201 . 1 . 1 32 32 PRO HB2 H 1 2.110 0.005 . . . . . . . 472 PRO HB2 . 51948 1 202 . 1 . 1 32 32 PRO HB3 H 1 1.721 0.002 . . . . . . . 472 PRO HB3 . 51948 1 203 . 1 . 1 32 32 PRO HG2 H 1 1.825 0.000 . . . . . . . 472 PRO HG2 . 51948 1 204 . 1 . 1 32 32 PRO HD2 H 1 3.627 0.000 . . . . . . . 472 PRO HD2 . 51948 1 205 . 1 . 1 32 32 PRO HD3 H 1 3.505 0.000 . . . . . . . 472 PRO HD3 . 51948 1 206 . 1 . 1 32 32 PRO C C 13 174.261 0.000 . . . . . . . 472 PRO C . 51948 1 207 . 1 . 1 32 32 PRO CA C 13 60.389 0.078 . . . . . . . 472 PRO CA . 51948 1 208 . 1 . 1 32 32 PRO CB C 13 29.111 0.102 . . . . . . . 472 PRO CB . 51948 1 209 . 1 . 1 32 32 PRO CG C 13 24.520 0.000 . . . . . . . 472 PRO CG . 51948 1 210 . 1 . 1 32 32 PRO CD C 13 47.816 0.000 . . . . . . . 472 PRO CD . 51948 1 211 . 1 . 1 33 33 SER H H 1 8.321 0.005 . . . . . . . 473 SER H . 51948 1 212 . 1 . 1 33 33 SER HA H 1 4.228 0.004 . . . . . . . 473 SER HA . 51948 1 213 . 1 . 1 33 33 SER HB2 H 1 3.687 0.005 . . . . . . . 473 SER HB2 . 51948 1 214 . 1 . 1 33 33 SER C C 13 172.088 0.000 . . . . . . . 473 SER C . 51948 1 215 . 1 . 1 33 33 SER CA C 13 55.372 0.033 . . . . . . . 473 SER CA . 51948 1 216 . 1 . 1 33 33 SER CB C 13 60.672 0.066 . . . . . . . 473 SER CB . 51948 1 217 . 1 . 1 33 33 SER N N 15 115.853 0.047 . . . . . . . 473 SER N . 51948 1 218 . 1 . 1 34 34 LEU H H 1 8.216 0.004 . . . . . . . 474 LEU H . 51948 1 219 . 1 . 1 34 34 LEU HA H 1 4.165 0.004 . . . . . . . 474 LEU HA . 51948 1 220 . 1 . 1 34 34 LEU HB2 H 1 1.429 0.000 . . . . . . . 474 LEU HB2 . 51948 1 221 . 1 . 1 34 34 LEU C C 13 172.303 0.000 . . . . . . . 474 LEU C . 51948 1 222 . 1 . 1 34 34 LEU CA C 13 52.620 0.000 . . . . . . . 474 LEU CA . 51948 1 223 . 1 . 1 34 34 LEU CB C 13 39.339 0.084 . . . . . . . 474 LEU CB . 51948 1 224 . 1 . 1 34 34 LEU N N 15 124.284 0.060 . . . . . . . 474 LEU N . 51948 1 225 . 1 . 1 35 35 GLN H H 1 8.209 0.008 . . . . . . . 475 GLN H . 51948 1 226 . 1 . 1 35 35 GLN HA H 1 4.090 0.002 . . . . . . . 475 GLN HA . 51948 1 227 . 1 . 1 35 35 GLN HB2 H 1 1.897 0.007 . . . . . . . 475 GLN HB2 . 51948 1 228 . 1 . 1 35 35 GLN HB3 H 1 1.787 0.014 . . . . . . . 475 GLN HB3 . 51948 1 229 . 1 . 1 35 35 GLN HG2 H 1 2.160 0.000 . . . . . . . 475 GLN HG2 . 51948 1 230 . 1 . 1 35 35 GLN HE21 H 1 7.454 0.000 . . . . . . . 475 GLN HE21 . 51948 1 231 . 1 . 1 35 35 GLN C C 13 173.392 0.000 . . . . . . . 475 GLN C . 51948 1 232 . 1 . 1 35 35 GLN CA C 13 53.190 0.049 . . . . . . . 475 GLN CA . 51948 1 233 . 1 . 1 35 35 GLN CB C 13 26.408 0.040 . . . . . . . 475 GLN CB . 51948 1 234 . 1 . 1 35 35 GLN CG C 13 30.775 0.019 . . . . . . . 475 GLN CG . 51948 1 235 . 1 . 1 35 35 GLN N N 15 120.740 0.168 . . . . . . . 475 GLN N . 51948 1 236 . 1 . 1 35 35 GLN NE2 N 15 112.001 0.007 . . . . . . . 475 GLN NE2 . 51948 1 237 . 1 . 1 36 36 GLU H H 1 8.261 0.006 . . . . . . . 476 GLU H . 51948 1 238 . 1 . 1 36 36 GLU HA H 1 4.031 0.000 . . . . . . . 476 GLU HA . 51948 1 239 . 1 . 1 36 36 GLU HB2 H 1 1.846 0.000 . . . . . . . 476 GLU HB2 . 51948 1 240 . 1 . 1 36 36 GLU HB3 H 1 1.756 0.000 . . . . . . . 476 GLU HB3 . 51948 1 241 . 1 . 1 36 36 GLU HG2 H 1 2.059 0.000 . . . . . . . 476 GLU HG2 . 51948 1 242 . 1 . 1 36 36 GLU C C 13 173.536 0.000 . . . . . . . 476 GLU C . 51948 1 243 . 1 . 1 36 36 GLU CA C 13 53.712 0.064 . . . . . . . 476 GLU CA . 51948 1 244 . 1 . 1 36 36 GLU CB C 13 27.297 0.083 . . . . . . . 476 GLU CB . 51948 1 245 . 1 . 1 36 36 GLU CG C 13 33.261 0.000 . . . . . . . 476 GLU CG . 51948 1 246 . 1 . 1 36 36 GLU N N 15 122.071 0.071 . . . . . . . 476 GLU N . 51948 1 247 . 1 . 1 37 37 ALA H H 1 8.191 0.006 . . . . . . . 477 ALA H . 51948 1 248 . 1 . 1 37 37 ALA HA H 1 4.116 0.005 . . . . . . . 477 ALA HA . 51948 1 249 . 1 . 1 37 37 ALA HB1 H 1 1.200 0.006 . . . . . . . 477 ALA HB1 . 51948 1 250 . 1 . 1 37 37 ALA HB2 H 1 1.200 0.006 . . . . . . . 477 ALA HB1 . 51948 1 251 . 1 . 1 37 37 ALA HB3 H 1 1.200 0.006 . . . . . . . 477 ALA HB1 . 51948 1 252 . 1 . 1 37 37 ALA C C 13 174.970 0.000 . . . . . . . 477 ALA C . 51948 1 253 . 1 . 1 37 37 ALA CA C 13 49.561 0.043 . . . . . . . 477 ALA CA . 51948 1 254 . 1 . 1 37 37 ALA CB C 13 16.199 0.033 . . . . . . . 477 ALA CB . 51948 1 255 . 1 . 1 37 37 ALA N N 15 124.828 0.049 . . . . . . . 477 ALA N . 51948 1 256 . 1 . 1 38 38 LEU H H 1 8.121 0.005 . . . . . . . 478 LEU H . 51948 1 257 . 1 . 1 38 38 LEU HA H 1 4.187 0.000 . . . . . . . 478 LEU HA . 51948 1 258 . 1 . 1 38 38 LEU HB2 H 1 1.494 0.000 . . . . . . . 478 LEU HB2 . 51948 1 259 . 1 . 1 38 38 LEU HB3 H 1 1.410 0.000 . . . . . . . 478 LEU HB3 . 51948 1 260 . 1 . 1 38 38 LEU C C 13 174.914 0.000 . . . . . . . 478 LEU C . 51948 1 261 . 1 . 1 38 38 LEU CA C 13 52.086 0.052 . . . . . . . 478 LEU CA . 51948 1 262 . 1 . 1 38 38 LEU CB C 13 39.415 0.074 . . . . . . . 478 LEU CB . 51948 1 263 . 1 . 1 38 38 LEU N N 15 121.270 0.027 . . . . . . . 478 LEU N . 51948 1 264 . 1 . 1 39 39 SER H H 1 8.164 0.009 . . . . . . . 479 SER H . 51948 1 265 . 1 . 1 39 39 SER HA H 1 4.269 0.005 . . . . . . . 479 SER HA . 51948 1 266 . 1 . 1 39 39 SER HB2 H 1 3.720 0.015 . . . . . . . 479 SER HB2 . 51948 1 267 . 1 . 1 39 39 SER C C 13 172.028 0.000 . . . . . . . 479 SER C . 51948 1 268 . 1 . 1 39 39 SER CA C 13 55.350 0.039 . . . . . . . 479 SER CA . 51948 1 269 . 1 . 1 39 39 SER CB C 13 60.853 0.055 . . . . . . . 479 SER CB . 51948 1 270 . 1 . 1 39 39 SER N N 15 116.321 0.074 . . . . . . . 479 SER N . 51948 1 271 . 1 . 1 40 40 SER H H 1 8.258 0.005 . . . . . . . 480 SER H . 51948 1 272 . 1 . 1 40 40 SER HA H 1 4.248 0.005 . . . . . . . 480 SER HA . 51948 1 273 . 1 . 1 40 40 SER HB2 H 1 3.728 0.006 . . . . . . . 480 SER HB2 . 51948 1 274 . 1 . 1 40 40 SER HB3 H 1 3.662 0.005 . . . . . . . 480 SER HB3 . 51948 1 275 . 1 . 1 40 40 SER C C 13 171.644 0.000 . . . . . . . 480 SER C . 51948 1 276 . 1 . 1 40 40 SER CA C 13 55.698 0.045 . . . . . . . 480 SER CA . 51948 1 277 . 1 . 1 40 40 SER CB C 13 60.743 0.027 . . . . . . . 480 SER CB . 51948 1 278 . 1 . 1 40 40 SER N N 15 117.436 0.071 . . . . . . . 480 SER N . 51948 1 279 . 1 . 1 41 41 ASP H H 1 8.237 0.005 . . . . . . . 481 ASP H . 51948 1 280 . 1 . 1 41 41 ASP HA H 1 4.409 0.007 . . . . . . . 481 ASP HA . 51948 1 281 . 1 . 1 41 41 ASP HB2 H 1 2.505 0.004 . . . . . . . 481 ASP HB2 . 51948 1 282 . 1 . 1 41 41 ASP HB3 H 1 2.409 0.005 . . . . . . . 481 ASP HB3 . 51948 1 283 . 1 . 1 41 41 ASP C C 13 173.548 0.000 . . . . . . . 481 ASP C . 51948 1 284 . 1 . 1 41 41 ASP CA C 13 51.816 0.027 . . . . . . . 481 ASP CA . 51948 1 285 . 1 . 1 41 41 ASP CB C 13 37.927 0.017 . . . . . . . 481 ASP CB . 51948 1 286 . 1 . 1 41 41 ASP N N 15 122.228 0.046 . . . . . . . 481 ASP N . 51948 1 287 . 1 . 1 42 42 ILE H H 1 7.831 0.008 . . . . . . . 482 ILE H . 51948 1 288 . 1 . 1 42 42 ILE HA H 1 3.917 0.000 . . . . . . . 482 ILE HA . 51948 1 289 . 1 . 1 42 42 ILE HB H 1 1.699 0.005 . . . . . . . 482 ILE HB . 51948 1 290 . 1 . 1 42 42 ILE C C 13 173.679 0.000 . . . . . . . 482 ILE C . 51948 1 291 . 1 . 1 42 42 ILE CA C 13 58.687 0.106 . . . . . . . 482 ILE CA . 51948 1 292 . 1 . 1 42 42 ILE CB C 13 35.527 0.116 . . . . . . . 482 ILE CB . 51948 1 293 . 1 . 1 42 42 ILE CG1 C 13 29.496 0.000 . . . . . . . 482 ILE CG1 . 51948 1 294 . 1 . 1 42 42 ILE CG2 C 13 18.299 0.000 . . . . . . . 482 ILE CG2 . 51948 1 295 . 1 . 1 42 42 ILE CD1 C 13 14.279 0.000 . . . . . . . 482 ILE CD1 . 51948 1 296 . 1 . 1 42 42 ILE N N 15 120.272 0.040 . . . . . . . 482 ILE N . 51948 1 297 . 1 . 1 43 43 LEU H H 1 8.105 0.009 . . . . . . . 483 LEU H . 51948 1 298 . 1 . 1 43 43 LEU HA H 1 4.146 0.006 . . . . . . . 483 LEU HA . 51948 1 299 . 1 . 1 43 43 LEU HB2 H 1 1.473 0.000 . . . . . . . 483 LEU HB2 . 51948 1 300 . 1 . 1 43 43 LEU HB3 H 1 1.377 0.000 . . . . . . . 483 LEU HB3 . 51948 1 301 . 1 . 1 43 43 LEU HD11 H 1 0.695 0.000 . . . . . . . 483 LEU HD11 . 51948 1 302 . 1 . 1 43 43 LEU HD12 H 1 0.695 0.000 . . . . . . . 483 LEU HD11 . 51948 1 303 . 1 . 1 43 43 LEU HD13 H 1 0.695 0.000 . . . . . . . 483 LEU HD11 . 51948 1 304 . 1 . 1 43 43 LEU C C 13 174.466 0.000 . . . . . . . 483 LEU C . 51948 1 305 . 1 . 1 43 43 LEU CA C 13 52.450 0.079 . . . . . . . 483 LEU CA . 51948 1 306 . 1 . 1 43 43 LEU CB C 13 39.128 0.030 . . . . . . . 483 LEU CB . 51948 1 307 . 1 . 1 43 43 LEU N N 15 124.966 0.159 . . . . . . . 483 LEU N . 51948 1 308 . 1 . 1 44 44 ASN H H 1 8.221 0.008 . . . . . . . 484 ASN H . 51948 1 309 . 1 . 1 44 44 ASN HA H 1 4.631 0.000 . . . . . . . 484 ASN HA . 51948 1 310 . 1 . 1 44 44 ASN HB2 H 1 2.665 0.000 . . . . . . . 484 ASN HB2 . 51948 1 311 . 1 . 1 44 44 ASN HB3 H 1 2.577 0.000 . . . . . . . 484 ASN HB3 . 51948 1 312 . 1 . 1 44 44 ASN C C 13 172.383 0.000 . . . . . . . 484 ASN C . 51948 1 313 . 1 . 1 44 44 ASN CA C 13 50.474 0.012 . . . . . . . 484 ASN CA . 51948 1 314 . 1 . 1 44 44 ASN CB C 13 35.981 0.077 . . . . . . . 484 ASN CB . 51948 1 315 . 1 . 1 44 44 ASN N N 15 119.211 0.068 . . . . . . . 484 ASN N . 51948 1 316 . 1 . 1 45 45 ASP H H 1 8.167 0.011 . . . . . . . 485 ASP H . 51948 1 317 . 1 . 1 45 45 ASP HA H 1 4.395 0.000 . . . . . . . 485 ASP HA . 51948 1 318 . 1 . 1 45 45 ASP HB2 H 1 2.627 0.000 . . . . . . . 485 ASP HB2 . 51948 1 319 . 1 . 1 45 45 ASP HB3 H 1 2.521 0.004 . . . . . . . 485 ASP HB3 . 51948 1 320 . 1 . 1 45 45 ASP C C 13 173.908 0.000 . . . . . . . 485 ASP C . 51948 1 321 . 1 . 1 45 45 ASP CA C 13 51.614 0.000 . . . . . . . 485 ASP CA . 51948 1 322 . 1 . 1 45 45 ASP CB C 13 37.898 0.000 . . . . . . . 485 ASP CB . 51948 1 323 . 1 . 1 45 45 ASP N N 15 120.642 0.099 . . . . . . . 485 ASP N . 51948 1 324 . 1 . 1 46 46 MET H H 1 8.225 0.003 . . . . . . . 486 MET H . 51948 1 325 . 1 . 1 46 46 MET HA H 1 4.215 0.000 . . . . . . . 486 MET HA . 51948 1 326 . 1 . 1 46 46 MET HB2 H 1 2.093 0.257 . . . . . . . 486 MET HB2 . 51948 1 327 . 1 . 1 46 46 MET HG3 H 1 2.363 0.000 . . . . . . . 486 MET HG3 . 51948 1 328 . 1 . 1 46 46 MET C C 13 174.304 0.000 . . . . . . . 486 MET C . 51948 1 329 . 1 . 1 46 46 MET CA C 13 53.490 0.033 . . . . . . . 486 MET CA . 51948 1 330 . 1 . 1 46 46 MET CB C 13 29.499 0.056 . . . . . . . 486 MET CB . 51948 1 331 . 1 . 1 46 46 MET N N 15 120.312 0.073 . . . . . . . 486 MET N . 51948 1 332 . 1 . 1 47 47 GLU H H 1 8.292 0.007 . . . . . . . 487 GLU H . 51948 1 333 . 1 . 1 47 47 GLU HA H 1 4.014 0.002 . . . . . . . 487 GLU HA . 51948 1 334 . 1 . 1 47 47 GLU HB2 H 1 1.864 0.000 . . . . . . . 487 GLU HB2 . 51948 1 335 . 1 . 1 47 47 GLU HG2 H 1 2.090 0.000 . . . . . . . 487 GLU HG2 . 51948 1 336 . 1 . 1 47 47 GLU C C 13 174.767 0.000 . . . . . . . 487 GLU C . 51948 1 337 . 1 . 1 47 47 GLU CA C 13 54.856 0.105 . . . . . . . 487 GLU CA . 51948 1 338 . 1 . 1 47 47 GLU CB C 13 26.886 0.120 . . . . . . . 487 GLU CB . 51948 1 339 . 1 . 1 47 47 GLU CG C 13 33.353 0.000 . . . . . . . 487 GLU CG . 51948 1 340 . 1 . 1 47 47 GLU N N 15 120.549 0.100 . . . . . . . 487 GLU N . 51948 1 341 . 1 . 1 48 48 SER H H 1 8.116 0.008 . . . . . . . 488 SER H . 51948 1 342 . 1 . 1 48 48 SER HA H 1 4.198 0.006 . . . . . . . 488 SER HA . 51948 1 343 . 1 . 1 48 48 SER HB2 H 1 3.705 0.005 . . . . . . . 488 SER HB2 . 51948 1 344 . 1 . 1 48 48 SER C C 13 172.641 0.000 . . . . . . . 488 SER C . 51948 1 345 . 1 . 1 48 48 SER CA C 13 56.459 0.054 . . . . . . . 488 SER CA . 51948 1 346 . 1 . 1 48 48 SER CB C 13 60.347 0.045 . . . . . . . 488 SER CB . 51948 1 347 . 1 . 1 48 48 SER N N 15 116.051 0.058 . . . . . . . 488 SER N . 51948 1 348 . 1 . 1 49 49 VAL H H 1 7.881 0.009 . . . . . . . 489 VAL H . 51948 1 349 . 1 . 1 49 49 VAL HA H 1 3.843 0.001 . . . . . . . 489 VAL HA . 51948 1 350 . 1 . 1 49 49 VAL HB H 1 1.948 0.004 . . . . . . . 489 VAL HB . 51948 1 351 . 1 . 1 49 49 VAL HG11 H 1 0.755 0.000 . . . . . . . 489 VAL HG11 . 51948 1 352 . 1 . 1 49 49 VAL HG12 H 1 0.755 0.000 . . . . . . . 489 VAL HG11 . 51948 1 353 . 1 . 1 49 49 VAL HG13 H 1 0.755 0.000 . . . . . . . 489 VAL HG11 . 51948 1 354 . 1 . 1 49 49 VAL HG21 H 1 0.755 0.000 . . . . . . . 489 VAL HG21 . 51948 1 355 . 1 . 1 49 49 VAL HG22 H 1 0.755 0.000 . . . . . . . 489 VAL HG21 . 51948 1 356 . 1 . 1 49 49 VAL HG23 H 1 0.755 0.000 . . . . . . . 489 VAL HG21 . 51948 1 357 . 1 . 1 49 49 VAL C C 13 171.823 0.000 . . . . . . . 489 VAL C . 51948 1 358 . 1 . 1 49 49 VAL CA C 13 60.654 0.060 . . . . . . . 489 VAL CA . 51948 1 359 . 1 . 1 49 49 VAL CB C 13 29.332 0.096 . . . . . . . 489 VAL CB . 51948 1 360 . 1 . 1 49 49 VAL CG2 C 13 18.226 0.000 . . . . . . . 489 VAL CG2 . 51948 1 361 . 1 . 1 49 49 VAL N N 15 122.096 0.093 . . . . . . . 489 VAL N . 51948 1 362 . 1 . 1 50 50 LEU H H 1 8.066 0.005 . . . . . . . 490 LEU H . 51948 1 363 . 1 . 1 50 50 LEU HA H 1 4.082 0.006 . . . . . . . 490 LEU HA . 51948 1 364 . 1 . 1 50 50 LEU HB2 H 1 1.482 0.011 . . . . . . . 490 LEU HB2 . 51948 1 365 . 1 . 1 50 50 LEU HB3 H 1 1.389 0.001 . . . . . . . 490 LEU HB3 . 51948 1 366 . 1 . 1 50 50 LEU HD11 H 1 0.698 0.000 . . . . . . . 490 LEU HD11 . 51948 1 367 . 1 . 1 50 50 LEU HD12 H 1 0.698 0.000 . . . . . . . 490 LEU HD11 . 51948 1 368 . 1 . 1 50 50 LEU HD13 H 1 0.698 0.000 . . . . . . . 490 LEU HD11 . 51948 1 369 . 1 . 1 50 50 LEU C C 13 175.088 0.000 . . . . . . . 490 LEU C . 51948 1 370 . 1 . 1 50 50 LEU CA C 13 52.900 0.077 . . . . . . . 490 LEU CA . 51948 1 371 . 1 . 1 50 50 LEU CB C 13 39.002 0.069 . . . . . . . 490 LEU CB . 51948 1 372 . 1 . 1 50 50 LEU N N 15 123.774 0.189 . . . . . . . 490 LEU N . 51948 1 373 . 1 . 1 51 51 ALA H H 1 8.002 0.010 . . . . . . . 491 ALA H . 51948 1 374 . 1 . 1 51 51 ALA HA H 1 4.053 0.000 . . . . . . . 491 ALA HA . 51948 1 375 . 1 . 1 51 51 ALA HB1 H 1 1.228 0.006 . . . . . . . 491 ALA HB1 . 51948 1 376 . 1 . 1 51 51 ALA HB2 H 1 1.228 0.006 . . . . . . . 491 ALA HB1 . 51948 1 377 . 1 . 1 51 51 ALA HB3 H 1 1.228 0.006 . . . . . . . 491 ALA HB1 . 51948 1 378 . 1 . 1 51 51 ALA C C 13 175.226 0.000 . . . . . . . 491 ALA C . 51948 1 379 . 1 . 1 51 51 ALA CA C 13 50.187 0.081 . . . . . . . 491 ALA CA . 51948 1 380 . 1 . 1 51 51 ALA CB C 13 15.896 0.002 . . . . . . . 491 ALA CB . 51948 1 381 . 1 . 1 51 51 ALA N N 15 123.666 0.137 . . . . . . . 491 ALA N . 51948 1 382 . 1 . 1 52 52 ALA H H 1 7.946 0.014 . . . . . . . 492 ALA H . 51948 1 383 . 1 . 1 52 52 ALA HA H 1 4.131 0.005 . . . . . . . 492 ALA HA . 51948 1 384 . 1 . 1 52 52 ALA HB1 H 1 1.249 0.005 . . . . . . . 492 ALA HB1 . 51948 1 385 . 1 . 1 52 52 ALA HB2 H 1 1.249 0.005 . . . . . . . 492 ALA HB1 . 51948 1 386 . 1 . 1 52 52 ALA HB3 H 1 1.249 0.005 . . . . . . . 492 ALA HB1 . 51948 1 387 . 1 . 1 52 52 ALA C C 13 175.543 0.000 . . . . . . . 492 ALA C . 51948 1 388 . 1 . 1 52 52 ALA CA C 13 50.016 0.025 . . . . . . . 492 ALA CA . 51948 1 389 . 1 . 1 52 52 ALA CB C 13 16.128 0.020 . . . . . . . 492 ALA CB . 51948 1 390 . 1 . 1 52 52 ALA N N 15 121.898 0.118 . . . . . . . 492 ALA N . 51948 1 391 . 1 . 1 53 53 THR H H 1 7.904 0.007 . . . . . . . 493 THR H . 51948 1 392 . 1 . 1 53 53 THR CA C 13 59.450 0.017 . . . . . . . 493 THR CA . 51948 1 393 . 1 . 1 53 53 THR CB C 13 66.799 0.028 . . . . . . . 493 THR CB . 51948 1 394 . 1 . 1 53 53 THR CG2 C 13 18.218 0.000 . . . . . . . 493 THR CG2 . 51948 1 395 . 1 . 1 53 53 THR N N 15 112.723 0.145 . . . . . . . 493 THR N . 51948 1 396 . 1 . 1 54 54 LYS H H 1 8.046 0.020 . . . . . . . 494 LYS H . 51948 1 397 . 1 . 1 54 54 LYS HA H 1 4.143 0.000 . . . . . . . 494 LYS HA . 51948 1 398 . 1 . 1 54 54 LYS HB2 H 1 1.667 0.000 . . . . . . . 494 LYS HB2 . 51948 1 399 . 1 . 1 54 54 LYS HB3 H 1 1.579 0.008 . . . . . . . 494 LYS HB3 . 51948 1 400 . 1 . 1 54 54 LYS HG2 H 1 1.211 0.000 . . . . . . . 494 LYS HG2 . 51948 1 401 . 1 . 1 54 54 LYS HD2 H 1 1.480 0.000 . . . . . . . 494 LYS HD2 . 51948 1 402 . 1 . 1 54 54 LYS HE2 H 1 2.797 0.000 . . . . . . . 494 LYS HE2 . 51948 1 403 . 1 . 1 54 54 LYS C C 13 173.689 0.000 . . . . . . . 494 LYS C . 51948 1 404 . 1 . 1 54 54 LYS CA C 13 53.474 0.000 . . . . . . . 494 LYS CA . 51948 1 405 . 1 . 1 54 54 LYS CB C 13 29.864 0.000 . . . . . . . 494 LYS CB . 51948 1 406 . 1 . 1 54 54 LYS N N 15 123.360 0.128 . . . . . . . 494 LYS N . 51948 1 407 . 1 . 1 55 55 LEU H H 1 8.054 0.004 . . . . . . . 495 LEU H . 51948 1 408 . 1 . 1 55 55 LEU C C 13 174.396 0.000 . . . . . . . 495 LEU C . 51948 1 409 . 1 . 1 55 55 LEU CA C 13 52.209 0.075 . . . . . . . 495 LEU CA . 51948 1 410 . 1 . 1 55 55 LEU CB C 13 39.274 0.074 . . . . . . . 495 LEU CB . 51948 1 411 . 1 . 1 55 55 LEU N N 15 122.911 0.040 . . . . . . . 495 LEU N . 51948 1 412 . 1 . 1 56 56 ASP H H 1 8.202 0.004 . . . . . . . 496 ASP H . 51948 1 413 . 1 . 1 56 56 ASP HA H 1 4.386 0.000 . . . . . . . 496 ASP HA . 51948 1 414 . 1 . 1 56 56 ASP HB3 H 1 2.453 0.000 . . . . . . . 496 ASP HB3 . 51948 1 415 . 1 . 1 56 56 ASP C C 13 173.692 0.000 . . . . . . . 496 ASP C . 51948 1 416 . 1 . 1 56 56 ASP CA C 13 51.400 0.016 . . . . . . . 496 ASP CA . 51948 1 417 . 1 . 1 56 56 ASP CB C 13 38.138 0.000 . . . . . . . 496 ASP CB . 51948 1 418 . 1 . 1 56 56 ASP N N 15 121.082 0.064 . . . . . . . 496 ASP N . 51948 1 419 . 1 . 1 57 57 LYS H H 1 8.143 0.009 . . . . . . . 497 LYS H . 51948 1 420 . 1 . 1 57 57 LYS HA H 1 4.059 0.002 . . . . . . . 497 LYS HA . 51948 1 421 . 1 . 1 57 57 LYS HB2 H 1 1.643 0.006 . . . . . . . 497 LYS HB2 . 51948 1 422 . 1 . 1 57 57 LYS HG2 H 1 1.226 0.000 . . . . . . . 497 LYS HG2 . 51948 1 423 . 1 . 1 57 57 LYS HD2 H 1 1.479 0.000 . . . . . . . 497 LYS HD2 . 51948 1 424 . 1 . 1 57 57 LYS HE2 H 1 2.807 0.000 . . . . . . . 497 LYS HE2 . 51948 1 425 . 1 . 1 57 57 LYS C C 13 174.064 0.000 . . . . . . . 497 LYS C . 51948 1 426 . 1 . 1 57 57 LYS CA C 13 53.921 0.013 . . . . . . . 497 LYS CA . 51948 1 427 . 1 . 1 57 57 LYS CB C 13 29.820 0.025 . . . . . . . 497 LYS CB . 51948 1 428 . 1 . 1 57 57 LYS N N 15 121.139 0.139 . . . . . . . 497 LYS N . 51948 1 429 . 1 . 1 58 58 GLU H H 1 8.320 0.007 . . . . . . . 498 GLU H . 51948 1 430 . 1 . 1 58 58 GLU HA H 1 4.033 0.005 . . . . . . . 498 GLU HA . 51948 1 431 . 1 . 1 58 58 GLU HB2 H 1 1.788 0.000 . . . . . . . 498 GLU HB2 . 51948 1 432 . 1 . 1 58 58 GLU HG2 H 1 2.038 0.000 . . . . . . . 498 GLU HG2 . 51948 1 433 . 1 . 1 58 58 GLU C C 13 174.046 0.000 . . . . . . . 498 GLU C . 51948 1 434 . 1 . 1 58 58 GLU CA C 13 54.130 0.038 . . . . . . . 498 GLU CA . 51948 1 435 . 1 . 1 58 58 GLU CB C 13 26.869 0.018 . . . . . . . 498 GLU CB . 51948 1 436 . 1 . 1 58 58 GLU CG C 13 33.353 0.000 . . . . . . . 498 GLU CG . 51948 1 437 . 1 . 1 58 58 GLU N N 15 120.515 0.120 . . . . . . . 498 GLU N . 51948 1 438 . 1 . 1 59 59 SER H H 1 8.042 0.006 . . . . . . . 499 SER H . 51948 1 439 . 1 . 1 59 59 SER HA H 1 4.261 0.005 . . . . . . . 499 SER HA . 51948 1 440 . 1 . 1 59 59 SER HB2 H 1 3.660 0.006 . . . . . . . 499 SER HB2 . 51948 1 441 . 1 . 1 59 59 SER C C 13 171.519 0.000 . . . . . . . 499 SER C . 51948 1 442 . 1 . 1 59 59 SER CA C 13 55.708 0.022 . . . . . . . 499 SER CA . 51948 1 443 . 1 . 1 59 59 SER CB C 13 60.716 0.014 . . . . . . . 499 SER CB . 51948 1 444 . 1 . 1 59 59 SER N N 15 115.920 0.100 . . . . . . . 499 SER N . 51948 1 445 . 1 . 1 60 60 PHE H H 1 7.938 0.003 . . . . . . . 500 PHE H . 51948 1 446 . 1 . 1 60 60 PHE CA C 13 54.757 0.038 . . . . . . . 500 PHE CA . 51948 1 447 . 1 . 1 60 60 PHE CB C 13 36.143 0.019 . . . . . . . 500 PHE CB . 51948 1 448 . 1 . 1 60 60 PHE N N 15 121.325 0.006 . . . . . . . 500 PHE N . 51948 1 449 . 1 . 1 61 61 LEU H H 1 7.867 0.002 . . . . . . . 501 LEU H . 51948 1 450 . 1 . 1 61 61 LEU HA H 1 4.035 0.000 . . . . . . . 501 LEU HA . 51948 1 451 . 1 . 1 61 61 LEU C C 13 174.425 0.000 . . . . . . . 501 LEU C . 51948 1 452 . 1 . 1 61 61 LEU CA C 13 52.285 0.038 . . . . . . . 501 LEU CA . 51948 1 453 . 1 . 1 61 61 LEU CB C 13 39.179 0.059 . . . . . . . 501 LEU CB . 51948 1 454 . 1 . 1 61 61 LEU N N 15 122.405 0.017 . . . . . . . 501 LEU N . 51948 1 455 . 1 . 1 62 62 THR H H 1 7.740 0.003 . . . . . . . 502 THR H . 51948 1 456 . 1 . 1 62 62 THR HA H 1 4.034 0.000 . . . . . . . 502 THR HA . 51948 1 457 . 1 . 1 62 62 THR HB H 1 3.916 0.000 . . . . . . . 502 THR HB . 51948 1 458 . 1 . 1 62 62 THR HG21 H 1 0.895 0.000 . . . . . . . 502 THR HG21 . 51948 1 459 . 1 . 1 62 62 THR HG22 H 1 0.895 0.000 . . . . . . . 502 THR HG21 . 51948 1 460 . 1 . 1 62 62 THR HG23 H 1 0.895 0.000 . . . . . . . 502 THR HG21 . 51948 1 461 . 1 . 1 62 62 THR C C 13 171.054 0.000 . . . . . . . 502 THR C . 51948 1 462 . 1 . 1 62 62 THR CA C 13 58.879 0.037 . . . . . . . 502 THR CA . 51948 1 463 . 1 . 1 62 62 THR CB C 13 66.735 0.005 . . . . . . . 502 THR CB . 51948 1 464 . 1 . 1 62 62 THR CG2 C 13 18.305 0.000 . . . . . . . 502 THR CG2 . 51948 1 465 . 1 . 1 62 62 THR N N 15 113.488 0.052 . . . . . . . 502 THR N . 51948 1 466 . 1 . 1 63 63 TRP H H 1 7.825 0.006 . . . . . . . 503 TRP H . 51948 1 467 . 1 . 1 63 63 TRP HA H 1 4.560 0.008 . . . . . . . 503 TRP HA . 51948 1 468 . 1 . 1 63 63 TRP HB2 H 1 3.151 0.004 . . . . . . . 503 TRP HB2 . 51948 1 469 . 1 . 1 63 63 TRP HB3 H 1 3.042 0.006 . . . . . . . 503 TRP HB3 . 51948 1 470 . 1 . 1 63 63 TRP C C 13 172.131 0.000 . . . . . . . 503 TRP C . 51948 1 471 . 1 . 1 63 63 TRP CA C 13 53.779 0.021 . . . . . . . 503 TRP CA . 51948 1 472 . 1 . 1 63 63 TRP CB C 13 26.535 0.013 . . . . . . . 503 TRP CB . 51948 1 473 . 1 . 1 63 63 TRP N N 15 122.796 0.025 . . . . . . . 503 TRP N . 51948 1 474 . 1 . 1 64 64 LEU H H 1 7.525 0.007 . . . . . . . 504 LEU H . 51948 1 475 . 1 . 1 64 64 LEU CB C 13 40.519 0.000 . . . . . . . 504 LEU CB . 51948 1 476 . 1 . 1 64 64 LEU N N 15 128.815 0.044 . . . . . . . 504 LEU N . 51948 1 stop_ save_