################################### # 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 53521 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_WGR _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 HNCO' . . . 53521 1 2 '3D HN(CO)CA' . . . 53521 1 3 '3D HNCA' . . . 53521 1 4 '3D hahbcbcaconnh' . . . 53521 1 5 '3D HNN' . . . 53521 1 6 '3D CBCA(CO)NH' . . . 53521 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 . . 53521 1 2 $software_2 . . 53521 1 3 $software_3 . . 53521 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.693547726 . . 2 . . . . . 90 GLY HA2 . 53521 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.62233901 . . 2 . . . . . 90 GLY HA3 . 53521 1 3 . 1 . 1 1 1 GLY C C 13 169.5360368 . . 1 . . . . . 90 GLY C . 53521 1 4 . 1 . 1 1 1 GLY CA C 13 43.09401105 0.01995252501 . 1 . . . . . 90 GLY CA . 53521 1 5 . 1 . 1 2 2 LYS H H 1 8.379736276 0.001213983426 . 1 . . . . . 91 LYS H . 53521 1 6 . 1 . 1 2 2 LYS HA H 1 4.132790434 . . 1 . . . . . 91 LYS HA . 53521 1 7 . 1 . 1 2 2 LYS HB2 H 1 1.485248089 . . 2 . . . . . 91 LYS HB2 . 53521 1 8 . 1 . 1 2 2 LYS HB3 H 1 1.475727797 . . 2 . . . . . 91 LYS HB3 . 53521 1 9 . 1 . 1 2 2 LYS C C 13 175.5372568 0.002861720954 . 1 . . . . . 91 LYS C . 53521 1 10 . 1 . 1 2 2 LYS CA C 13 55.66042362 0.02201920051 . 1 . . . . . 91 LYS CA . 53521 1 11 . 1 . 1 2 2 LYS CB C 13 33.40509033 . . 1 . . . . . 91 LYS CB . 53521 1 12 . 1 . 1 2 2 LYS N N 15 120.2024593 0.004878933118 . 1 . . . . . 91 LYS N . 53521 1 13 . 1 . 1 3 3 ALA H H 1 8.320447048 0.000773194696 . 1 . . . . . 92 ALA H . 53521 1 14 . 1 . 1 3 3 ALA C C 13 174.008817 . . 1 . . . . . 92 ALA C . 53521 1 15 . 1 . 1 3 3 ALA CA C 13 49.61765498 . . 1 . . . . . 92 ALA CA . 53521 1 16 . 1 . 1 3 3 ALA N N 15 127.657842 0.007771754439 . 1 . . . . . 92 ALA N . 53521 1 17 . 1 . 1 4 4 PRO HA H 1 4.346546442 . . 1 . . . . . 93 PRO HA . 53521 1 18 . 1 . 1 4 4 PRO HB2 H 1 1.635917684 . . 2 . . . . . 93 PRO HB# . 53521 1 19 . 1 . 1 4 4 PRO HB3 H 1 1.635917684 . . 2 . . . . . 93 PRO HB# . 53521 1 20 . 1 . 1 4 4 PRO C C 13 177.4180167 0.007881050303 . 1 . . . . . 93 PRO C . 53521 1 21 . 1 . 1 4 4 PRO CA C 13 61.66124061 0.055312125 . 1 . . . . . 93 PRO CA . 53521 1 22 . 1 . 1 4 4 PRO CB C 13 31.51099586 . . 1 . . . . . 93 PRO CB . 53521 1 23 . 1 . 1 5 5 VAL H H 1 8.193740942 0.002289452782 . 1 . . . . . 94 VAL H . 53521 1 24 . 1 . 1 5 5 VAL HA H 1 3.295855181 . . 1 . . . . . 94 VAL HA . 53521 1 25 . 1 . 1 5 5 VAL HB H 1 1.524715185 . . 1 . . . . . 94 VAL HB . 53521 1 26 . 1 . 1 5 5 VAL C C 13 174.8332543 0.009686649883 . 1 . . . . . 94 VAL C . 53521 1 27 . 1 . 1 5 5 VAL CA C 13 63.0151611 0.0512517907 . 1 . . . . . 94 VAL CA . 53521 1 28 . 1 . 1 5 5 VAL CB C 13 32.12143985 . . 1 . . . . . 94 VAL CB . 53521 1 29 . 1 . 1 5 5 VAL N N 15 123.0857109 0.01810948414 . 1 . . . . . 94 VAL N . 53521 1 30 . 1 . 1 6 6 ASP H H 1 9.132173322 0.003064101061 . 1 . . . . . 95 ASP H . 53521 1 31 . 1 . 1 6 6 ASP C C 13 175.7720415 . . 1 . . . . . 95 ASP C . 53521 1 32 . 1 . 1 6 6 ASP CA C 13 51.63178933 . . 1 . . . . . 95 ASP CA . 53521 1 33 . 1 . 1 6 6 ASP N N 15 129.202047 0.01235543595 . 1 . . . . . 95 ASP N . 53521 1 34 . 1 . 1 7 7 PRO HA H 1 3.754335315 . . 1 . . . . . 96 PRO HA . 53521 1 35 . 1 . 1 7 7 PRO HB2 H 1 2.074816129 . . 2 . . . . . 96 PRO HB2 . 53521 1 36 . 1 . 1 7 7 PRO HB3 H 1 1.647515169 . . 2 . . . . . 96 PRO HB3 . 53521 1 37 . 1 . 1 7 7 PRO C C 13 177.5184936 0.001281753892 . 1 . . . . . 96 PRO C . 53521 1 38 . 1 . 1 7 7 PRO CA C 13 63.95692898 0.01230694001 . 1 . . . . . 96 PRO CA . 53521 1 39 . 1 . 1 7 7 PRO CB C 13 31.89853748 . . 1 . . . . . 96 PRO CB . 53521 1 40 . 1 . 1 8 8 GLU H H 1 6.979240531 0.002687689581 . 1 . . . . . 97 GLU H . 53521 1 41 . 1 . 1 8 8 GLU HA H 1 3.903666554 . . 1 . . . . . 97 GLU HA . 53521 1 42 . 1 . 1 8 8 GLU HB2 H 1 2.126999378 . . 2 . . . . . 97 GLU HB2 . 53521 1 43 . 1 . 1 8 8 GLU HB3 H 1 1.773520947 . . 2 . . . . . 97 GLU HB3 . 53521 1 44 . 1 . 1 8 8 GLU C C 13 176.5727648 0.001978481438 . 1 . . . . . 97 GLU C . 53521 1 45 . 1 . 1 8 8 GLU CA C 13 56.11952497 0.008909500909 . 1 . . . . . 97 GLU CA . 53521 1 46 . 1 . 1 8 8 GLU CB C 13 28.69235639 . . 1 . . . . . 97 GLU CB . 53521 1 47 . 1 . 1 8 8 GLU N N 15 111.2271175 0.01027503322 . 1 . . . . . 97 GLU N . 53521 1 48 . 1 . 1 9 9 CYS H H 1 8.0650204 0.001638137193 . 1 . . . . . 98 CYS H . 53521 1 49 . 1 . 1 9 9 CYS HA H 1 3.230219328 . . 1 . . . . . 98 CYS HA . 53521 1 50 . 1 . 1 9 9 CYS C C 13 175.078653 0.005674665106 . 1 . . . . . 98 CYS C . 53521 1 51 . 1 . 1 9 9 CYS CA C 13 56.60016632 0.03768711219 . 1 . . . . . 98 CYS CA . 53521 1 52 . 1 . 1 9 9 CYS CB C 13 22.20562467 . . 1 . . . . . 98 CYS CB . 53521 1 53 . 1 . 1 9 9 CYS N N 15 123.1329407 0.007875108977 . 1 . . . . . 98 CYS N . 53521 1 54 . 1 . 1 10 10 THR H H 1 7.508070567 0.001106882397 . 1 . . . . . 99 THR H . 53521 1 55 . 1 . 1 10 10 THR HA H 1 3.805407524 . . 1 . . . . . 99 THR HA . 53521 1 56 . 1 . 1 10 10 THR HB H 1 3.36980772 . . 1 . . . . . 99 THR HB . 53521 1 57 . 1 . 1 10 10 THR C C 13 175.8468648 0.006585042084 . 1 . . . . . 99 THR C . 53521 1 58 . 1 . 1 10 10 THR CA C 13 65.12222475 0.05136431452 . 1 . . . . . 99 THR CA . 53521 1 59 . 1 . 1 10 10 THR CB C 13 68.16264131 . . 1 . . . . . 99 THR CB . 53521 1 60 . 1 . 1 10 10 THR N N 15 118.2548064 0.01050650871 . 1 . . . . . 99 THR N . 53521 1 61 . 1 . 1 11 11 ALA H H 1 8.250528989 0.001310455764 . 1 . . . . . 100 ALA H . 53521 1 62 . 1 . 1 11 11 ALA HA H 1 3.909315 . . 1 . . . . . 100 ALA HA . 53521 1 63 . 1 . 1 11 11 ALA HB1 H 1 1.045733637 . . 1 . . . . . 100 ALA HB# . 53521 1 64 . 1 . 1 11 11 ALA HB2 H 1 1.045733637 . . 1 . . . . . 100 ALA HB# . 53521 1 65 . 1 . 1 11 11 ALA HB3 H 1 1.045733637 . . 1 . . . . . 100 ALA HB# . 53521 1 66 . 1 . 1 11 11 ALA C C 13 178.0933016 0.006963177641 . 1 . . . . . 100 ALA C . 53521 1 67 . 1 . 1 11 11 ALA CA C 13 53.79815398 0.05682205848 . 1 . . . . . 100 ALA CA . 53521 1 68 . 1 . 1 11 11 ALA CB C 13 19.23045119 . . 1 . . . . . 100 ALA CB . 53521 1 69 . 1 . 1 11 11 ALA N N 15 120.3340647 0.005963939417 . 1 . . . . . 100 ALA N . 53521 1 70 . 1 . 1 12 12 LYS H H 1 6.843503396 0.001262572681 . 1 . . . . . 101 LYS H . 53521 1 71 . 1 . 1 12 12 LYS HA H 1 4.23650323 . . 1 . . . . . 101 LYS HA . 53521 1 72 . 1 . 1 12 12 LYS HB2 H 1 1.417526484 . . 2 . . . . . 101 LYS HB2 . 53521 1 73 . 1 . 1 12 12 LYS HB3 H 1 1.32838285 . . 2 . . . . . 101 LYS HB3 . 53521 1 74 . 1 . 1 12 12 LYS C C 13 176.2811048 0.006393345272 . 1 . . . . . 101 LYS C . 53521 1 75 . 1 . 1 12 12 LYS CA C 13 53.21216329 0.04176759766 . 1 . . . . . 101 LYS CA . 53521 1 76 . 1 . 1 12 12 LYS CB C 13 34.20050812 . . 1 . . . . . 101 LYS CB . 53521 1 77 . 1 . 1 12 12 LYS N N 15 110.2607262 0.005862225706 . 1 . . . . . 101 LYS N . 53521 1 78 . 1 . 1 13 13 VAL H H 1 7.307204289 0.001087581661 . 1 . . . . . 102 VAL H . 53521 1 79 . 1 . 1 13 13 VAL HA H 1 3.390177838 . . 1 . . . . . 102 VAL HA . 53521 1 80 . 1 . 1 13 13 VAL HB H 1 1.572059979 . . 1 . . . . . 102 VAL HB . 53521 1 81 . 1 . 1 13 13 VAL C C 13 176.9984039 0.002240490922 . 1 . . . . . 102 VAL C . 53521 1 82 . 1 . 1 13 13 VAL CA C 13 64.81109619 0.01337285763 . 1 . . . . . 102 VAL CA . 53521 1 83 . 1 . 1 13 13 VAL CB C 13 30.98611259 . . 1 . . . . . 102 VAL CB . 53521 1 84 . 1 . 1 13 13 VAL N N 15 121.6299324 0.008652832388 . 1 . . . . . 102 VAL N . 53521 1 85 . 1 . 1 14 14 GLY H H 1 9.198413623 0.002106127309 . 1 . . . . . 103 GLY H . 53521 1 86 . 1 . 1 14 14 GLY HA2 H 1 4.018065489 . . 2 . . . . . 103 GLY HA2 . 53521 1 87 . 1 . 1 14 14 GLY HA3 H 1 3.628586505 . . 2 . . . . . 103 GLY HA3 . 53521 1 88 . 1 . 1 14 14 GLY C C 13 174.3513027 0.05215122467 . 1 . . . . . 103 GLY C . 53521 1 89 . 1 . 1 14 14 GLY CA C 13 45.3423839 0.03044740837 . 1 . . . . . 103 GLY CA . 53521 1 90 . 1 . 1 14 14 GLY N N 15 116.2790311 0.00746706089 . 1 . . . . . 103 GLY N . 53521 1 91 . 1 . 1 15 15 LYS H H 1 7.862551345 0.001565098599 . 1 . . . . . 104 LYS H . 53521 1 92 . 1 . 1 15 15 LYS HA H 1 4.477254798 . . 1 . . . . . 104 LYS HA . 53521 1 93 . 1 . 1 15 15 LYS HB2 H 1 1.742904303 . . 2 . . . . . 104 LYS HB2 . 53521 1 94 . 1 . 1 15 15 LYS HB3 H 1 1.310183267 . . 2 . . . . . 104 LYS HB3 . 53521 1 95 . 1 . 1 15 15 LYS C C 13 174.7649643 0.00473165798 . 1 . . . . . 104 LYS C . 53521 1 96 . 1 . 1 15 15 LYS CA C 13 55.04327393 0.04798098137 . 1 . . . . . 104 LYS CA . 53521 1 97 . 1 . 1 15 15 LYS CB C 13 34.69108369 . . 1 . . . . . 104 LYS CB . 53521 1 98 . 1 . 1 15 15 LYS N N 15 116.334072 0.005899332504 . 1 . . . . . 104 LYS N . 53521 1 99 . 1 . 1 16 16 ALA H H 1 7.485503148 0.002059761058 . 1 . . . . . 105 ALA H . 53521 1 100 . 1 . 1 16 16 ALA HA H 1 4.728847544 . . 1 . . . . . 105 ALA HA . 53521 1 101 . 1 . 1 16 16 ALA HB1 H 1 0.9900755882 . . 1 . . . . . 105 ALA HB# . 53521 1 102 . 1 . 1 16 16 ALA HB2 H 1 0.9900755882 . . 1 . . . . . 105 ALA HB# . 53521 1 103 . 1 . 1 16 16 ALA HB3 H 1 0.9900755882 . . 1 . . . . . 105 ALA HB# . 53521 1 104 . 1 . 1 16 16 ALA C C 13 173.4964549 0.01579632133 . 1 . . . . . 105 ALA C . 53521 1 105 . 1 . 1 16 16 ALA CA C 13 50.76066994 0.0147718664 . 1 . . . . . 105 ALA CA . 53521 1 106 . 1 . 1 16 16 ALA CB C 13 24.05930206 . . 1 . . . . . 105 ALA CB . 53521 1 107 . 1 . 1 16 16 ALA N N 15 123.160386 0.006991849706 . 1 . . . . . 105 ALA N . 53521 1 108 . 1 . 1 17 17 HIS H H 1 8.168435267 0.00195659771 . 1 . . . . . 106 HIS H . 53521 1 109 . 1 . 1 17 17 HIS HA H 1 4.824201157 . . 1 . . . . . 106 HIS HA . 53521 1 110 . 1 . 1 17 17 HIS HB2 H 1 3.195408583 . . 2 . . . . . 106 HIS HB2 . 53521 1 111 . 1 . 1 17 17 HIS HB3 H 1 3.098631859 . . 2 . . . . . 106 HIS HB3 . 53521 1 112 . 1 . 1 17 17 HIS C C 13 172.555461 0.003258587777 . 1 . . . . . 106 HIS C . 53521 1 113 . 1 . 1 17 17 HIS CA C 13 53.12260468 0.03686375248 . 1 . . . . . 106 HIS CA . 53521 1 114 . 1 . 1 17 17 HIS CB C 13 31.17640005 . . 1 . . . . . 106 HIS CB . 53521 1 115 . 1 . 1 17 17 HIS N N 15 112.3201389 0.01414532768 . 1 . . . . . 106 HIS N . 53521 1 116 . 1 . 1 18 18 VAL H H 1 8.954800434 0.001598325098 . 1 . . . . . 107 VAL H . 53521 1 117 . 1 . 1 18 18 VAL HA H 1 3.801832991 . . 1 . . . . . 107 VAL HA . 53521 1 118 . 1 . 1 18 18 VAL HB H 1 1.730317362 . . 1 . . . . . 107 VAL HB . 53521 1 119 . 1 . 1 18 18 VAL C C 13 176.3137938 0.003265822572 . 1 . . . . . 107 VAL C . 53521 1 120 . 1 . 1 18 18 VAL CA C 13 63.95406891 0.04593303458 . 1 . . . . . 107 VAL CA . 53521 1 121 . 1 . 1 18 18 VAL CB C 13 31.82954382 . . 1 . . . . . 107 VAL CB . 53521 1 122 . 1 . 1 18 18 VAL N N 15 122.604947 0.006014198254 . 1 . . . . . 107 VAL N . 53521 1 123 . 1 . 1 19 19 TYR H H 1 9.51048484 0.001635591585 . 1 . . . . . 108 TYR H . 53521 1 124 . 1 . 1 19 19 TYR HA H 1 4.325866965 . . 1 . . . . . 108 TYR HA . 53521 1 125 . 1 . 1 19 19 TYR HB2 H 1 2.550925255 . . 2 . . . . . 108 TYR HB2 . 53521 1 126 . 1 . 1 19 19 TYR HB3 H 1 2.533622742 . . 2 . . . . . 108 TYR HB3 . 53521 1 127 . 1 . 1 19 19 TYR C C 13 173.0559185 0.00376440175 . 1 . . . . . 108 TYR C . 53521 1 128 . 1 . 1 19 19 TYR CA C 13 59.97148641 0.01816758858 . 1 . . . . . 108 TYR CA . 53521 1 129 . 1 . 1 19 19 TYR CB C 13 40.6541748 . . 1 . . . . . 108 TYR CB . 53521 1 130 . 1 . 1 19 19 TYR N N 15 131.4267974 0.01583057667 . 1 . . . . . 108 TYR N . 53521 1 131 . 1 . 1 20 20 CYS H H 1 7.544490836 0.001121928784 . 1 . . . . . 109 CYS H . 53521 1 132 . 1 . 1 20 20 CYS HA H 1 5.043970429 . . 1 . . . . . 109 CYS HA . 53521 1 133 . 1 . 1 20 20 CYS HB2 H 1 2.508763075 . . 2 . . . . . 109 CYS HB2 . 53521 1 134 . 1 . 1 20 20 CYS HB3 H 1 2.516012192 . . 2 . . . . . 109 CYS HB3 . 53521 1 135 . 1 . 1 20 20 CYS C C 13 172.6370392 0.0003238788059 . 1 . . . . . 109 CYS C . 53521 1 136 . 1 . 1 20 20 CYS CA C 13 55.92923864 0.01526837919 . 1 . . . . . 109 CYS CA . 53521 1 137 . 1 . 1 20 20 CYS CB C 13 30.8256073 . . 1 . . . . . 109 CYS CB . 53521 1 138 . 1 . 1 20 20 CYS N N 15 123.73866 0.00564875861 . 1 . . . . . 109 CYS N . 53521 1 139 . 1 . 1 21 21 GLU H H 1 8.384826511 0.000742348656 . 1 . . . . . 110 GLU H . 53521 1 140 . 1 . 1 21 21 GLU HA H 1 4.110210397 . . 1 . . . . . 110 GLU HA . 53521 1 141 . 1 . 1 21 21 GLU HB2 H 1 1.960548759 . . 2 . . . . . 110 GLU HB2 . 53521 1 142 . 1 . 1 21 21 GLU HB3 H 1 1.943608165 . . 2 . . . . . 110 GLU HB3 . 53521 1 143 . 1 . 1 21 21 GLU C C 13 175.558719 0.001325051445 . 1 . . . . . 110 GLU C . 53521 1 144 . 1 . 1 21 21 GLU CA C 13 54.9620293 0.03847383119 . 1 . . . . . 110 GLU CA . 53521 1 145 . 1 . 1 21 21 GLU CB C 13 31.86535667 . . 1 . . . . . 110 GLU CB . 53521 1 146 . 1 . 1 21 21 GLU N N 15 123.021175 0.02239867132 . 1 . . . . . 110 GLU N . 53521 1 147 . 1 . 1 22 22 GLY H H 1 8.896312723 0.001437898433 . 1 . . . . . 111 GLY H . 53521 1 148 . 1 . 1 22 22 GLY HA2 H 1 3.765096128 . . 2 . . . . . 111 GLY HA2 . 53521 1 149 . 1 . 1 22 22 GLY HA3 H 1 3.423883976 . . 2 . . . . . 111 GLY HA3 . 53521 1 150 . 1 . 1 22 22 GLY C C 13 174.9602445 0.007238269951 . 1 . . . . . 111 GLY C . 53521 1 151 . 1 . 1 22 22 GLY CA C 13 46.92460378 0.01537388742 . 1 . . . . . 111 GLY CA . 53521 1 152 . 1 . 1 22 22 GLY N N 15 117.3218733 0.004885167619 . 1 . . . . . 111 GLY N . 53521 1 153 . 1 . 1 23 23 ASN H H 1 8.989958299 0.00107567773 . 1 . . . . . 112 ASN H . 53521 1 154 . 1 . 1 23 23 ASN HA H 1 4.511367798 . . 1 . . . . . 112 ASN HA . 53521 1 155 . 1 . 1 23 23 ASN HB2 H 1 2.751404828 . . 2 . . . . . 112 ASN HB2 . 53521 1 156 . 1 . 1 23 23 ASN HB3 H 1 2.466331005 . . 2 . . . . . 112 ASN HB3 . 53521 1 157 . 1 . 1 23 23 ASN C C 13 174.5635615 0.004364401293 . 1 . . . . . 112 ASN C . 53521 1 158 . 1 . 1 23 23 ASN CA C 13 53.11442459 0.03561478788 . 1 . . . . . 112 ASN CA . 53521 1 159 . 1 . 1 23 23 ASN CB C 13 38.53499081 . . 1 . . . . . 112 ASN CB . 53521 1 160 . 1 . 1 23 23 ASN N N 15 125.694482 0.007929553798 . 1 . . . . . 112 ASN N . 53521 1 161 . 1 . 1 24 24 ASP H H 1 8.354080274 0.001633747887 . 1 . . . . . 113 ASP H . 53521 1 162 . 1 . 1 24 24 ASP HA H 1 4.262044232 . . 1 . . . . . 113 ASP HA . 53521 1 163 . 1 . 1 24 24 ASP HB2 H 1 2.993848801 . . 2 . . . . . 113 ASP HB2 . 53521 1 164 . 1 . 1 24 24 ASP HB3 H 1 2.21191144 . . 2 . . . . . 113 ASP HB3 . 53521 1 165 . 1 . 1 24 24 ASP C C 13 173.9039233 0.003936797149 . 1 . . . . . 113 ASP C . 53521 1 166 . 1 . 1 24 24 ASP CA C 13 54.42081933 0.04660831149 . 1 . . . . . 113 ASP CA . 53521 1 167 . 1 . 1 24 24 ASP CB C 13 41.50533351 . . 1 . . . . . 113 ASP CB . 53521 1 168 . 1 . 1 24 24 ASP N N 15 121.0357302 0.004690163307 . 1 . . . . . 113 ASP N . 53521 1 169 . 1 . 1 25 25 VAL H H 1 8.157976824 0.002762227308 . 1 . . . . . 114 VAL H . 53521 1 170 . 1 . 1 25 25 VAL HA H 1 4.245562516 . . 1 . . . . . 114 VAL HA . 53521 1 171 . 1 . 1 25 25 VAL HB H 1 2.08192427 . . 1 . . . . . 114 VAL HB . 53521 1 172 . 1 . 1 25 25 VAL C C 13 177.3946204 0.005173247446 . 1 . . . . . 114 VAL C . 53521 1 173 . 1 . 1 25 25 VAL CA C 13 61.60069979 0.01116531162 . 1 . . . . . 114 VAL CA . 53521 1 174 . 1 . 1 25 25 VAL CB C 13 33.22929397 . . 1 . . . . . 114 VAL CB . 53521 1 175 . 1 . 1 25 25 VAL N N 15 125.7825421 0.01400896848 . 1 . . . . . 114 VAL N . 53521 1 176 . 1 . 1 26 26 TYR H H 1 8.299241504 0.00431036507 . 1 . . . . . 115 TYR H . 53521 1 177 . 1 . 1 26 26 TYR HA H 1 3.79393363 . . 1 . . . . . 115 TYR HA . 53521 1 178 . 1 . 1 26 26 TYR HB2 H 1 2.996807125 . . 2 . . . . . 115 TYR HB2 . 53521 1 179 . 1 . 1 26 26 TYR HB3 H 1 2.061262131 . . 2 . . . . . 115 TYR HB3 . 53521 1 180 . 1 . 1 26 26 TYR C C 13 173.3145488 0.01765328431 . 1 . . . . . 115 TYR C . 53521 1 181 . 1 . 1 26 26 TYR CA C 13 58.72226079 0.03073396862 . 1 . . . . . 115 TYR CA . 53521 1 182 . 1 . 1 26 26 TYR CB C 13 36.52453955 . . 1 . . . . . 115 TYR CB . 53521 1 183 . 1 . 1 26 26 TYR N N 15 129.1578454 0.04299569369 . 1 . . . . . 115 TYR N . 53521 1 184 . 1 . 1 27 27 ASP H H 1 8.046883249 0.002697011537 . 1 . . . . . 116 ASP H . 53521 1 185 . 1 . 1 27 27 ASP HA H 1 5.46949529 . . 1 . . . . . 116 ASP HA . 53521 1 186 . 1 . 1 27 27 ASP HB2 H 1 2.550400972 . . 2 . . . . . 116 ASP HB2 . 53521 1 187 . 1 . 1 27 27 ASP HB3 H 1 2.521458149 . . 2 . . . . . 116 ASP HB3 . 53521 1 188 . 1 . 1 27 27 ASP C C 13 174.1867451 0.00381364951 . 1 . . . . . 116 ASP C . 53521 1 189 . 1 . 1 27 27 ASP CA C 13 53.75861928 0.04992444343 . 1 . . . . . 116 ASP CA . 53521 1 190 . 1 . 1 27 27 ASP CB C 13 45.10780094 . . 1 . . . . . 116 ASP CB . 53521 1 191 . 1 . 1 27 27 ASP N N 15 122.5180999 0.02498899197 . 1 . . . . . 116 ASP N . 53521 1 192 . 1 . 1 28 28 VAL H H 1 9.024235411 0.003031414238 . 1 . . . . . 117 VAL H . 53521 1 193 . 1 . 1 28 28 VAL C C 13 171.7577015 0.005887899964 . 1 . . . . . 117 VAL C . 53521 1 194 . 1 . 1 28 28 VAL CA C 13 60.47359848 0.01147075809 . 1 . . . . . 117 VAL CA . 53521 1 195 . 1 . 1 28 28 VAL N N 15 123.1156347 0.02581580341 . 1 . . . . . 117 VAL N . 53521 1 196 . 1 . 1 29 29 MET H H 1 8.899182785 0.00105361642 . 1 . . . . . 118 MET H . 53521 1 197 . 1 . 1 29 29 MET C C 13 173.0098112 0.009414899868 . 1 . . . . . 118 MET C . 53521 1 198 . 1 . 1 29 29 MET CA C 13 53.97428513 0.0029440812 . 1 . . . . . 118 MET CA . 53521 1 199 . 1 . 1 29 29 MET N N 15 127.9722137 0.0000013 . 1 . . . . . 118 MET N . 53521 1 200 . 1 . 1 30 30 LEU H H 1 9.142244638 0.002117284353 . 1 . . . . . 119 LEU H . 53521 1 201 . 1 . 1 30 30 LEU HA H 1 5.454637457 . . 1 . . . . . 119 LEU HA . 53521 1 202 . 1 . 1 30 30 LEU C C 13 177.5485696 0.01659612817 . 1 . . . . . 119 LEU C . 53521 1 203 . 1 . 1 30 30 LEU CA C 13 51.95207596 0.04507634914 . 1 . . . . . 119 LEU CA . 53521 1 204 . 1 . 1 30 30 LEU CB C 13 43.09900665 . . 1 . . . . . 119 LEU CB . 53521 1 205 . 1 . 1 30 30 LEU N N 15 126.2057932 0.01527516654 . 1 . . . . . 119 LEU N . 53521 1 206 . 1 . 1 31 31 ASN H H 1 9.033004526 0.002750497911 . 1 . . . . . 120 ASN H . 53521 1 207 . 1 . 1 31 31 ASN HA H 1 5.629460897 . . 1 . . . . . 120 ASN HA . 53521 1 208 . 1 . 1 31 31 ASN HB2 H 1 2.522613764 . . 2 . . . . . 120 ASN HB2 . 53521 1 209 . 1 . 1 31 31 ASN HB3 H 1 2.522613764 . . 2 . . . . . 120 ASN HB3 . 53521 1 210 . 1 . 1 31 31 ASN C C 13 173.0351142 0.001662100852 . 1 . . . . . 120 ASN C . 53521 1 211 . 1 . 1 31 31 ASN CA C 13 52.50057348 0.04845348389 . 1 . . . . . 120 ASN CA . 53521 1 212 . 1 . 1 31 31 ASN CB C 13 44.17751688 . . 1 . . . . . 120 ASN CB . 53521 1 213 . 1 . 1 31 31 ASN N N 15 119.6518577 0.007679098586 . 1 . . . . . 120 ASN N . 53521 1 214 . 1 . 1 32 32 GLN H H 1 8.875361115 0.001779471593 . 1 . . . . . 121 GLN H . 53521 1 215 . 1 . 1 32 32 GLN HA H 1 4.395946503 . . 1 . . . . . 121 GLN HA . 53521 1 216 . 1 . 1 32 32 GLN C C 13 174.3919863 0.003406049924 . 1 . . . . . 121 GLN C . 53521 1 217 . 1 . 1 32 32 GLN CA C 13 55.09279175 0.04215334408 . 1 . . . . . 121 GLN CA . 53521 1 218 . 1 . 1 32 32 GLN CB C 13 30.97175059 . . 1 . . . . . 121 GLN CB . 53521 1 219 . 1 . 1 32 32 GLN N N 15 125.295741 0.01251260267 . 1 . . . . . 121 GLN N . 53521 1 220 . 1 . 1 33 33 THR H H 1 8.510289053 0.001674887625 . 1 . . . . . 122 THR H . 53521 1 221 . 1 . 1 33 33 THR HA H 1 4.334691525 . . 1 . . . . . 122 THR HA . 53521 1 222 . 1 . 1 33 33 THR HB H 1 3.929094698 . . 1 . . . . . 122 THR HB . 53521 1 223 . 1 . 1 33 33 THR C C 13 173.5686414 0.02274314248 . 1 . . . . . 122 THR C . 53521 1 224 . 1 . 1 33 33 THR CA C 13 61.29725778 0.04670789454 . 1 . . . . . 122 THR CA . 53521 1 225 . 1 . 1 33 33 THR CB C 13 69.95406405 . . 1 . . . . . 122 THR CB . 53521 1 226 . 1 . 1 33 33 THR N N 15 121.7454338 0.0127330142 . 1 . . . . . 122 THR N . 53521 1 227 . 1 . 1 34 34 ASN H H 1 8.433421952 0.0020217045 . 1 . . . . . 123 ASN H . 53521 1 228 . 1 . 1 34 34 ASN HA H 1 4.666441799 . . 1 . . . . . 123 ASN HA . 53521 1 229 . 1 . 1 34 34 ASN HB2 H 1 2.628494263 . . 2 . . . . . 123 ASN HB2 . 53521 1 230 . 1 . 1 34 34 ASN HB3 H 1 2.611553669 . . 2 . . . . . 123 ASN HB3 . 53521 1 231 . 1 . 1 34 34 ASN C C 13 174.6969898 0.005789544625 . 1 . . . . . 123 ASN C . 53521 1 232 . 1 . 1 34 34 ASN CA C 13 52.39370473 0.04380922612 . 1 . . . . . 123 ASN CA . 53521 1 233 . 1 . 1 34 34 ASN CB C 13 40.59668732 . . 1 . . . . . 123 ASN CB . 53521 1 234 . 1 . 1 34 34 ASN N N 15 122.8954986 0.01379008887 . 1 . . . . . 123 ASN N . 53521 1 235 . 1 . 1 35 35 LEU H H 1 8.373525776 0.0005738522976 . 1 . . . . . 124 LEU H . 53521 1 236 . 1 . 1 35 35 LEU HA H 1 3.964038746 . . 1 . . . . . 124 LEU HA . 53521 1 237 . 1 . 1 35 35 LEU HB2 H 1 1.442855358 . . 2 . . . . . 124 LEU HB2 . 53521 1 238 . 1 . 1 35 35 LEU HB3 H 1 1.445266962 . . 2 . . . . . 124 LEU HB3 . 53521 1 239 . 1 . 1 35 35 LEU C C 13 178.1166715 0.001547950614 . 1 . . . . . 124 LEU C . 53521 1 240 . 1 . 1 35 35 LEU CA C 13 56.6057078 0.03468494527 . 1 . . . . . 124 LEU CA . 53521 1 241 . 1 . 1 35 35 LEU CB C 13 41.76422119 . . 1 . . . . . 124 LEU CB . 53521 1 242 . 1 . 1 35 35 LEU N N 15 122.1140589 0.01120602571 . 1 . . . . . 124 LEU N . 53521 1 243 . 1 . 1 36 36 GLN H H 1 8.033812979 0.000897545535 . 1 . . . . . 125 GLN H . 53521 1 244 . 1 . 1 36 36 GLN HA H 1 3.96544075 . . 1 . . . . . 125 GLN HA . 53521 1 245 . 1 . 1 36 36 GLN HB2 H 1 1.717728853 . . 2 . . . . . 125 GLN HB2 . 53521 1 246 . 1 . 1 36 36 GLN HB3 H 1 1.715027928 . . 2 . . . . . 125 GLN HB3 . 53521 1 247 . 1 . 1 36 36 GLN C C 13 175.8880107 0.006840999892 . 1 . . . . . 125 GLN C . 53521 1 248 . 1 . 1 36 36 GLN CA C 13 56.31515503 0.09686513638 . 1 . . . . . 125 GLN CA . 53521 1 249 . 1 . 1 36 36 GLN CB C 13 28.3279171 . . 1 . . . . . 125 GLN CB . 53521 1 250 . 1 . 1 36 36 GLN N N 15 117.7465245 0.003848502101 . 1 . . . . . 125 GLN N . 53521 1 251 . 1 . 1 37 37 PHE H H 1 7.927411985 0.002332822343 . 1 . . . . . 126 PHE H . 53521 1 252 . 1 . 1 37 37 PHE HA H 1 4.308809729 . . 1 . . . . . 126 PHE HA . 53521 1 253 . 1 . 1 37 37 PHE HB2 H 1 2.930548191 . . 2 . . . . . 126 PHE HB2 . 53521 1 254 . 1 . 1 37 37 PHE HB3 H 1 2.935698032 . . 2 . . . . . 126 PHE HB3 . 53521 1 255 . 1 . 1 37 37 PHE C C 13 175.6231339 0.008294667989 . 1 . . . . . 126 PHE C . 53521 1 256 . 1 . 1 37 37 PHE CA C 13 57.95735804 0.04778566368 . 1 . . . . . 126 PHE CA . 53521 1 257 . 1 . 1 37 37 PHE CB C 13 38.70255661 . . 1 . . . . . 126 PHE CB . 53521 1 258 . 1 . 1 37 37 PHE N N 15 119.5611015 0.003269764151 . 1 . . . . . 126 PHE N . 53521 1 259 . 1 . 1 38 38 ASN H H 1 8.172351931 0.000740909624 . 1 . . . . . 127 ASN H . 53521 1 260 . 1 . 1 38 38 ASN HA H 1 4.277914822 . . 1 . . . . . 127 ASN HA . 53521 1 261 . 1 . 1 38 38 ASN HB2 H 1 2.695565665 . . 2 . . . . . 127 ASN HB2 . 53521 1 262 . 1 . 1 38 38 ASN HB3 H 1 2.448910664 . . 2 . . . . . 127 ASN HB3 . 53521 1 263 . 1 . 1 38 38 ASN C C 13 174.5244425 0.003835781007 . 1 . . . . . 127 ASN C . 53521 1 264 . 1 . 1 38 38 ASN CA C 13 53.59524549 0.05689413488 . 1 . . . . . 127 ASN CA . 53521 1 265 . 1 . 1 38 38 ASN CB C 13 37.48199173 . . 1 . . . . . 127 ASN CB . 53521 1 266 . 1 . 1 38 38 ASN N N 15 117.466554 0.01465640373 . 1 . . . . . 127 ASN N . 53521 1 267 . 1 . 1 39 39 ASN H H 1 7.93662096 0.001121006303 . 1 . . . . . 128 ASN H . 53521 1 268 . 1 . 1 39 39 ASN HA H 1 4.730366187 . . 1 . . . . . 128 ASN HA . 53521 1 269 . 1 . 1 39 39 ASN HB2 H 1 2.645971515 . . 2 . . . . . 128 ASN HB2 . 53521 1 270 . 1 . 1 39 39 ASN HB3 H 1 2.3699385 . . 2 . . . . . 128 ASN HB3 . 53521 1 271 . 1 . 1 39 39 ASN C C 13 174.1547385 0.008256662849 . 1 . . . . . 128 ASN C . 53521 1 272 . 1 . 1 39 39 ASN CA C 13 52.22223791 0.05090732161 . 1 . . . . . 128 ASN CA . 53521 1 273 . 1 . 1 39 39 ASN CB C 13 39.36164856 . . 1 . . . . . 128 ASN CB . 53521 1 274 . 1 . 1 39 39 ASN N N 15 116.6900208 0.009361048488 . 1 . . . . . 128 ASN N . 53521 1 275 . 1 . 1 40 40 ASN H H 1 8.134958685 0.000933692505 . 1 . . . . . 129 ASN H . 53521 1 276 . 1 . 1 40 40 ASN HA H 1 4.81337423 . . 1 . . . . . 129 ASN HA . 53521 1 277 . 1 . 1 40 40 ASN HB2 H 1 2.657083988 . . 2 . . . . . 129 ASN HB2 . 53521 1 278 . 1 . 1 40 40 ASN HB3 H 1 2.649849176 . . 2 . . . . . 129 ASN HB3 . 53521 1 279 . 1 . 1 40 40 ASN C C 13 174.9774968 0.03007988822 . 1 . . . . . 129 ASN C . 53521 1 280 . 1 . 1 40 40 ASN CA C 13 53.49907282 0.05712965522 . 1 . . . . . 129 ASN CA . 53521 1 281 . 1 . 1 40 40 ASN CB C 13 38.58838198 . . 1 . . . . . 129 ASN CB . 53521 1 282 . 1 . 1 40 40 ASN N N 15 120.8528067 0.005677997322 . 1 . . . . . 129 ASN N . 53521 1 283 . 1 . 1 41 41 LYS H H 1 8.410231381 0.002619809512 . 1 . . . . . 130 LYS H . 53521 1 284 . 1 . 1 41 41 LYS HA H 1 5.151397359 . . 1 . . . . . 130 LYS HA . 53521 1 285 . 1 . 1 41 41 LYS HB2 H 1 2.056077957 . . 2 . . . . . 130 LYS HB2 . 53521 1 286 . 1 . 1 41 41 LYS HB3 H 1 1.446623227 . . 2 . . . . . 130 LYS HB3 . 53521 1 287 . 1 . 1 41 41 LYS C C 13 175.1844946 0.01792452856 . 1 . . . . . 130 LYS C . 53521 1 288 . 1 . 1 41 41 LYS CA C 13 55.3028539 0.06809867781 . 1 . . . . . 130 LYS CA . 53521 1 289 . 1 . 1 41 41 LYS CB C 13 36.76669238 . . 1 . . . . . 130 LYS CB . 53521 1 290 . 1 . 1 41 41 LYS N N 15 120.7382593 0.01390442397 . 1 . . . . . 130 LYS N . 53521 1 291 . 1 . 1 42 42 TYR H H 1 8.944055688 0.003666436814 . 1 . . . . . 131 TYR H . 53521 1 292 . 1 . 1 42 42 TYR HA H 1 5.912429093 . . 1 . . . . . 131 TYR HA . 53521 1 293 . 1 . 1 42 42 TYR HB2 H 1 3.368237816 . . 2 . . . . . 131 TYR HB# . 53521 1 294 . 1 . 1 42 42 TYR HB3 H 1 3.368237816 . . 2 . . . . . 131 TYR HB# . 53521 1 295 . 1 . 1 42 42 TYR C C 13 174.3855653 0.005978499631 . 1 . . . . . 131 TYR C . 53521 1 296 . 1 . 1 42 42 TYR CA C 13 55.53867913 0.050920485 . 1 . . . . . 131 TYR CA . 53521 1 297 . 1 . 1 42 42 TYR CB C 13 42.63975807 . . 1 . . . . . 131 TYR CB . 53521 1 298 . 1 . 1 42 42 TYR N N 15 117.3335729 0.0271115089 . 1 . . . . . 131 TYR N . 53521 1 299 . 1 . 1 43 43 TYR H H 1 8.800874322 0.002882597376 . 1 . . . . . 132 TYR H . 53521 1 300 . 1 . 1 43 43 TYR HA H 1 4.487893627 . . 1 . . . . . 132 TYR HA . 53521 1 301 . 1 . 1 43 43 TYR C C 13 172.6656392 0.02819201972 . 1 . . . . . 132 TYR C . 53521 1 302 . 1 . 1 43 43 TYR CA C 13 58.69465256 0.02714977422 . 1 . . . . . 132 TYR CA . 53521 1 303 . 1 . 1 43 43 TYR CB C 13 42.94650908 . . 1 . . . . . 132 TYR CB . 53521 1 304 . 1 . 1 43 43 TYR N N 15 126.6424568 0.03558951997 . 1 . . . . . 132 TYR N . 53521 1 305 . 1 . 1 44 44 LEU H H 1 9.751146903 0.003952131352 . 1 . . . . . 133 LEU H . 53521 1 306 . 1 . 1 44 44 LEU HA H 1 5.433880094 . . 1 . . . . . 133 LEU HA . 53521 1 307 . 1 . 1 44 44 LEU HB2 H 1 1.82897079 . . 2 . . . . . 133 LEU HB2 . 53521 1 308 . 1 . 1 44 44 LEU HB3 H 1 1.822840333 . . 2 . . . . . 133 LEU HB3 . 53521 1 309 . 1 . 1 44 44 LEU C C 13 174.6459045 0.0267334 . 1 . . . . . 133 LEU C . 53521 1 310 . 1 . 1 44 44 LEU CA C 13 53.98049164 0.02974640343 . 1 . . . . . 133 LEU CA . 53521 1 311 . 1 . 1 44 44 LEU N N 15 132.6074274 0.0115000721 . 1 . . . . . 133 LEU N . 53521 1 312 . 1 . 1 45 45 ILE H H 1 8.295468865 0.00243371873 . 1 . . . . . 134 ILE H . 53521 1 313 . 1 . 1 45 45 ILE HA H 1 5.138368775 . . 1 . . . . . 134 ILE HA . 53521 1 314 . 1 . 1 45 45 ILE HB H 1 1.09936738 . . 1 . . . . . 134 ILE HB . 53521 1 315 . 1 . 1 45 45 ILE C C 13 175.2648883 0.01656534989 . 1 . . . . . 134 ILE C . 53521 1 316 . 1 . 1 45 45 ILE CA C 13 59.69312413 0.02704640749 . 1 . . . . . 134 ILE CA . 53521 1 317 . 1 . 1 45 45 ILE CB C 13 39.98875809 . . 1 . . . . . 134 ILE CB . 53521 1 318 . 1 . 1 45 45 ILE N N 15 120.4471043 0.0307059091 . 1 . . . . . 134 ILE N . 53521 1 319 . 1 . 1 46 46 GLN H H 1 9.59071057 0.002927871168 . 1 . . . . . 135 GLN H . 53521 1 320 . 1 . 1 46 46 GLN HA H 1 5.694843587 . . 1 . . . . . 135 GLN HA . 53521 1 321 . 1 . 1 46 46 GLN C C 13 174.3251531 0.001565521967 . 1 . . . . . 135 GLN C . 53521 1 322 . 1 . 1 46 46 GLN CA C 13 54.86120269 0.04066319074 . 1 . . . . . 135 GLN CA . 53521 1 323 . 1 . 1 46 46 GLN CB C 13 34.48327637 . . 1 . . . . . 135 GLN CB . 53521 1 324 . 1 . 1 46 46 GLN N N 15 121.3790129 0.005126118237 . 1 . . . . . 135 GLN N . 53521 1 325 . 1 . 1 47 47 LEU H H 1 8.7739898 0.004683198796 . 1 . . . . . 136 LEU H . 53521 1 326 . 1 . 1 47 47 LEU HA H 1 5.114770178 . . 1 . . . . . 136 LEU HA . 53521 1 327 . 1 . 1 47 47 LEU HB2 H 1 1.665750119 . . 2 . . . . . 136 LEU HB2 . 53521 1 328 . 1 . 1 47 47 LEU HB3 H 1 1.248396722 . . 2 . . . . . 136 LEU HB3 . 53521 1 329 . 1 . 1 47 47 LEU C C 13 174.7924885 0.00619656769 . 1 . . . . . 136 LEU C . 53521 1 330 . 1 . 1 47 47 LEU CA C 13 55.61332575 0.04830101059 . 1 . . . . . 136 LEU CA . 53521 1 331 . 1 . 1 47 47 LEU CB C 13 44.88367917 . . 1 . . . . . 136 LEU CB . 53521 1 332 . 1 . 1 47 47 LEU N N 15 127.8271726 0.03373320588 . 1 . . . . . 136 LEU N . 53521 1 333 . 1 . 1 48 48 LEU H H 1 9.204958751 0.003340421256 . 1 . . . . . 137 LEU H . 53521 1 334 . 1 . 1 48 48 LEU HA H 1 4.879151466 . . 1 . . . . . 137 LEU HA . 53521 1 335 . 1 . 1 48 48 LEU HB2 H 1 1.603438578 . . 2 . . . . . 137 LEU HB2 . 53521 1 336 . 1 . 1 48 48 LEU HB3 H 1 0.6226773262 . . 2 . . . . . 137 LEU HB3 . 53521 1 337 . 1 . 1 48 48 LEU C C 13 175.1882047 0.001712018326 . 1 . . . . . 137 LEU C . 53521 1 338 . 1 . 1 48 48 LEU CA C 13 52.73872481 0.05651961 . 1 . . . . . 137 LEU CA . 53521 1 339 . 1 . 1 48 48 LEU CB C 13 44.39606389 . . 1 . . . . . 137 LEU CB . 53521 1 340 . 1 . 1 48 48 LEU N N 15 124.7848991 0.0179220548 . 1 . . . . . 137 LEU N . 53521 1 341 . 1 . 1 49 49 GLU H H 1 8.825637017 0.003393292061 . 1 . . . . . 138 GLU H . 53521 1 342 . 1 . 1 49 49 GLU HA H 1 4.616412312 . . 1 . . . . . 138 GLU HA . 53521 1 343 . 1 . 1 49 49 GLU HB2 H 1 1.642803669 . . 2 . . . . . 138 GLU HB2 . 53521 1 344 . 1 . 1 49 49 GLU HB3 H 1 1.221362591 . . 2 . . . . . 138 GLU HB3 . 53521 1 345 . 1 . 1 49 49 GLU C C 13 174.5472914 0.001062233945 . 1 . . . . . 138 GLU C . 53521 1 346 . 1 . 1 49 49 GLU CA C 13 52.94247564 0.04619222304 . 1 . . . . . 138 GLU CA . 53521 1 347 . 1 . 1 49 49 GLU CB C 13 33.27724679 . . 1 . . . . . 138 GLU CB . 53521 1 348 . 1 . 1 49 49 GLU N N 15 124.8659804 0.01657196822 . 1 . . . . . 138 GLU N . 53521 1 349 . 1 . 1 50 50 ASP H H 1 8.012364426 0.001058284804 . 1 . . . . . 139 ASP H . 53521 1 350 . 1 . 1 50 50 ASP HA H 1 4.352457708 . . 1 . . . . . 139 ASP HA . 53521 1 351 . 1 . 1 50 50 ASP HB2 H 1 2.928532798 . . 2 . . . . . 139 ASP HB2 . 53521 1 352 . 1 . 1 50 50 ASP HB3 H 1 2.702730425 . . 2 . . . . . 139 ASP HB3 . 53521 1 353 . 1 . 1 50 50 ASP C C 13 174.7181736 0.001567799969 . 1 . . . . . 139 ASP C . 53521 1 354 . 1 . 1 50 50 ASP CA C 13 54.92801639 0.06068414359 . 1 . . . . . 139 ASP CA . 53521 1 355 . 1 . 1 50 50 ASP CB C 13 40.05194805 . . 1 . . . . . 139 ASP CB . 53521 1 356 . 1 . 1 50 50 ASP N N 15 127.5003554 0.00499128083 . 1 . . . . . 139 ASP N . 53521 1 357 . 1 . 1 51 51 ASP H H 1 8.400032965 0.001808665078 . 1 . . . . . 140 ASP H . 53521 1 358 . 1 . 1 51 51 ASP HA H 1 4.279256505 . . 1 . . . . . 140 ASP HA . 53521 1 359 . 1 . 1 51 51 ASP HB2 H 1 2.445087378 . . 2 . . . . . 140 ASP HB2 . 53521 1 360 . 1 . 1 51 51 ASP HB3 H 1 2.225138187 . . 2 . . . . . 140 ASP HB3 . 53521 1 361 . 1 . 1 51 51 ASP C C 13 178.4201397 0.002821990467 . 1 . . . . . 140 ASP C . 53521 1 362 . 1 . 1 51 51 ASP CA C 13 56.72988747 0.06091658354 . 1 . . . . . 140 ASP CA . 53521 1 363 . 1 . 1 51 51 ASP CB C 13 39.73962922 . . 1 . . . . . 140 ASP CB . 53521 1 364 . 1 . 1 51 51 ASP N N 15 119.2462448 0.02101836294 . 1 . . . . . 140 ASP N . 53521 1 365 . 1 . 1 52 52 ALA H H 1 8.227620442 0.00147707581 . 1 . . . . . 141 ALA H . 53521 1 366 . 1 . 1 52 52 ALA HA H 1 4.139732963 . . 1 . . . . . 141 ALA HA . 53521 1 367 . 1 . 1 52 52 ALA HB1 H 1 1.208279976 . . 1 . . . . . 141 ALA HB# . 53521 1 368 . 1 . 1 52 52 ALA HB2 H 1 1.208279976 . . 1 . . . . . 141 ALA HB# . 53521 1 369 . 1 . 1 52 52 ALA HB3 H 1 1.208279976 . . 1 . . . . . 141 ALA HB# . 53521 1 370 . 1 . 1 52 52 ALA C C 13 176.6417751 0.002875603082 . 1 . . . . . 141 ALA C . 53521 1 371 . 1 . 1 52 52 ALA CA C 13 52.85667512 0.02516653713 . 1 . . . . . 141 ALA CA . 53521 1 372 . 1 . 1 52 52 ALA CB C 13 19.57496071 . . 1 . . . . . 141 ALA CB . 53521 1 373 . 1 . 1 52 52 ALA N N 15 118.1039644 0.01164613128 . 1 . . . . . 141 ALA N . 53521 1 374 . 1 . 1 53 53 GLN H H 1 6.859683258 0.001642134538 . 1 . . . . . 142 GLN H . 53521 1 375 . 1 . 1 53 53 GLN HA H 1 4.236453432 . . 1 . . . . . 142 GLN HA . 53521 1 376 . 1 . 1 53 53 GLN HB2 H 1 1.809348106 . . 2 . . . . . 142 GLN HB2 . 53521 1 377 . 1 . 1 53 53 GLN HB3 H 1 1.664775806 . . 2 . . . . . 142 GLN HB3 . 53521 1 378 . 1 . 1 53 53 GLN C C 13 173.8685476 0.002143892105 . 1 . . . . . 142 GLN C . 53521 1 379 . 1 . 1 53 53 GLN CA C 13 53.88732174 0.02661550688 . 1 . . . . . 142 GLN CA . 53521 1 380 . 1 . 1 53 53 GLN CB C 13 31.07406758 . . 1 . . . . . 142 GLN CB . 53521 1 381 . 1 . 1 53 53 GLN N N 15 111.9372333 0.004274878074 . 1 . . . . . 142 GLN N . 53521 1 382 . 1 . 1 54 54 ARG H H 1 8.407667024 0.001646599598 . 1 . . . . . 143 ARG H . 53521 1 383 . 1 . 1 54 54 ARG HA H 1 3.892384471 . . 1 . . . . . 143 ARG HA . 53521 1 384 . 1 . 1 54 54 ARG HB2 H 1 1.545887589 . . 2 . . . . . 143 ARG HB2 . 53521 1 385 . 1 . 1 54 54 ARG HB3 H 1 1.540413857 . . 2 . . . . . 143 ARG HB3 . 53521 1 386 . 1 . 1 54 54 ARG C C 13 173.1785328 0.01107252385 . 1 . . . . . 143 ARG C . 53521 1 387 . 1 . 1 54 54 ARG CA C 13 55.65990754 0.05168627346 . 1 . . . . . 143 ARG CA . 53521 1 388 . 1 . 1 54 54 ARG CB C 13 27.74574465 . . 1 . . . . . 143 ARG CB . 53521 1 389 . 1 . 1 54 54 ARG N N 15 122.159924 0.02226786194 . 1 . . . . . 143 ARG N . 53521 1 390 . 1 . 1 55 55 ASN H H 1 6.951606752 0.001190413069 . 1 . . . . . 144 ASN H . 53521 1 391 . 1 . 1 55 55 ASN HA H 1 4.35489823 . . 1 . . . . . 144 ASN HA . 53521 1 392 . 1 . 1 55 55 ASN HB2 H 1 2.07490325 . . 2 . . . . . 144 ASN HB2 . 53521 1 393 . 1 . 1 55 55 ASN HB3 H 1 2.080234528 . . 2 . . . . . 144 ASN HB3 . 53521 1 394 . 1 . 1 55 55 ASN C C 13 172.9344709 0.0140665997 . 1 . . . . . 144 ASN C . 53521 1 395 . 1 . 1 55 55 ASN CA C 13 51.25277507 0.02875192521 . 1 . . . . . 144 ASN CA . 53521 1 396 . 1 . 1 55 55 ASN CB C 13 41.16159459 . . 1 . . . . . 144 ASN CB . 53521 1 397 . 1 . 1 55 55 ASN N N 15 124.9121591 0.003419728763 . 1 . . . . . 144 ASN N . 53521 1 398 . 1 . 1 56 56 PHE H H 1 8.983380214 0.001419105306 . 1 . . . . . 145 PHE H . 53521 1 399 . 1 . 1 56 56 PHE HA H 1 5.33305317 . . 1 . . . . . 145 PHE HA . 53521 1 400 . 1 . 1 56 56 PHE HB2 H 1 2.446155931 . . 2 . . . . . 145 PHE HB2 . 53521 1 401 . 1 . 1 56 56 PHE HB3 H 1 2.143515489 . . 2 . . . . . 145 PHE HB3 . 53521 1 402 . 1 . 1 56 56 PHE C C 13 174.7598776 0.006523719839 . 1 . . . . . 145 PHE C . 53521 1 403 . 1 . 1 56 56 PHE CA C 13 56.85549117 0.03809309499 . 1 . . . . . 145 PHE CA . 53521 1 404 . 1 . 1 56 56 PHE CB C 13 42.25371552 . . 1 . . . . . 145 PHE CB . 53521 1 405 . 1 . 1 56 56 PHE N N 15 123.0690859 0.002445728603 . 1 . . . . . 145 PHE N . 53521 1 406 . 1 . 1 57 57 SER H H 1 8.994169187 0.002155843432 . 1 . . . . . 146 SER H . 53521 1 407 . 1 . 1 57 57 SER HA H 1 5.251281254 . . 1 . . . . . 146 SER HA . 53521 1 408 . 1 . 1 57 57 SER HB2 H 1 3.66508902 . . 2 . . . . . 146 SER HB2 . 53521 1 409 . 1 . 1 57 57 SER HB3 H 1 3.224717617 . . 2 . . . . . 146 SER HB3 . 53521 1 410 . 1 . 1 57 57 SER C C 13 172.0074096 0.001240312021 . 1 . . . . . 146 SER C . 53521 1 411 . 1 . 1 57 57 SER CA C 13 56.81559753 0.0229726237 . 1 . . . . . 146 SER CA . 53521 1 412 . 1 . 1 57 57 SER CB C 13 66.64120147 . . 1 . . . . . 146 SER CB . 53521 1 413 . 1 . 1 57 57 SER N N 15 115.3238771 0.006318367934 . 1 . . . . . 146 SER N . 53521 1 414 . 1 . 1 58 58 VAL H H 1 8.965421739 0.001554946603 . 1 . . . . . 147 VAL H . 53521 1 415 . 1 . 1 58 58 VAL HA H 1 4.992282973 . . 1 . . . . . 147 VAL HA . 53521 1 416 . 1 . 1 58 58 VAL HB H 1 1.770218814 . . 1 . . . . . 147 VAL HB . 53521 1 417 . 1 . 1 58 58 VAL C C 13 173.6809668 0.003075026969 . 1 . . . . . 147 VAL C . 53521 1 418 . 1 . 1 58 58 VAL CA C 13 61.65607033 0.03690044508 . 1 . . . . . 147 VAL CA . 53521 1 419 . 1 . 1 58 58 VAL CB C 13 33.49669279 . . 1 . . . . . 147 VAL CB . 53521 1 420 . 1 . 1 58 58 VAL N N 15 121.9896787 0.01411609504 . 1 . . . . . 147 VAL N . 53521 1 421 . 1 . 1 59 59 TRP H H 1 9.65548666 0.003228375062 . 1 . . . . . 148 TRP H . 53521 1 422 . 1 . 1 59 59 TRP HA H 1 5.671732957 . . 1 . . . . . 148 TRP HA . 53521 1 423 . 1 . 1 59 59 TRP HB2 H 1 2.88830781 . . 2 . . . . . 148 TRP HB2 . 53521 1 424 . 1 . 1 59 59 TRP HB3 H 1 2.897954226 . . 2 . . . . . 148 TRP HB3 . 53521 1 425 . 1 . 1 59 59 TRP C C 13 173.3440145 0.02498825531 . 1 . . . . . 148 TRP C . 53521 1 426 . 1 . 1 59 59 TRP CA C 13 54.78791247 0.04001935932 . 1 . . . . . 148 TRP CA . 53521 1 427 . 1 . 1 59 59 TRP CB C 13 33.65374583 . . 1 . . . . . 148 TRP CB . 53521 1 428 . 1 . 1 59 59 TRP N N 15 130.4633623 0.01064512427 . 1 . . . . . 148 TRP N . 53521 1 429 . 1 . 1 60 60 MET H H 1 8.202300867 0.001270736594 . 1 . . . . . 149 MET H . 53521 1 430 . 1 . 1 60 60 MET HA H 1 5.149031156 . . 1 . . . . . 149 MET HA . 53521 1 431 . 1 . 1 60 60 MET HB2 H 1 1.873194123 . . 2 . . . . . 149 MET HB# . 53521 1 432 . 1 . 1 60 60 MET HB3 H 1 1.873194123 . . 2 . . . . . 149 MET HB# . 53521 1 433 . 1 . 1 60 60 MET C C 13 173.3468786 0.03925415155 . 1 . . . . . 149 MET C . 53521 1 434 . 1 . 1 60 60 MET CA C 13 52.94945272 0.04708351588 . 1 . . . . . 149 MET CA . 53521 1 435 . 1 . 1 60 60 MET CB C 13 37.68848801 . . 1 . . . . . 149 MET CB . 53521 1 436 . 1 . 1 60 60 MET N N 15 124.6780163 0.009180799404 . 1 . . . . . 149 MET N . 53521 1 437 . 1 . 1 61 61 ARG H H 1 7.957163988 0.001842260818 . 1 . . . . . 150 ARG H . 53521 1 438 . 1 . 1 61 61 ARG HA H 1 4.56018854 . . 1 . . . . . 150 ARG HA . 53521 1 439 . 1 . 1 61 61 ARG HB2 H 1 1.554344418 . . 2 . . . . . 150 ARG HB2 . 53521 1 440 . 1 . 1 61 61 ARG HB3 H 1 0.9302492142 . . 2 . . . . . 150 ARG HB3 . 53521 1 441 . 1 . 1 61 61 ARG C C 13 172.5964038 0.005824144878 . 1 . . . . . 150 ARG C . 53521 1 442 . 1 . 1 61 61 ARG CA C 13 55.06459809 0.045265195 . 1 . . . . . 150 ARG CA . 53521 1 443 . 1 . 1 61 61 ARG CB C 13 33.41003799 . . 1 . . . . . 150 ARG CB . 53521 1 444 . 1 . 1 61 61 ARG N N 15 120.4254953 0.03136283374 . 1 . . . . . 150 ARG N . 53521 1 445 . 1 . 1 62 62 TRP H H 1 8.143732193 0.002496170251 . 1 . . . . . 151 TRP H . 53521 1 446 . 1 . 1 62 62 TRP HA H 1 4.407783985 . . 1 . . . . . 151 TRP HA . 53521 1 447 . 1 . 1 62 62 TRP HB2 H 1 2.742720604 . . 2 . . . . . 151 TRP HB2 . 53521 1 448 . 1 . 1 62 62 TRP HB3 H 1 2.138527449 . . 2 . . . . . 151 TRP HB3 . 53521 1 449 . 1 . 1 62 62 TRP C C 13 172.9038341 0.04774900678 . 1 . . . . . 151 TRP C . 53521 1 450 . 1 . 1 62 62 TRP CA C 13 55.8859851 0.05216184609 . 1 . . . . . 151 TRP CA . 53521 1 451 . 1 . 1 62 62 TRP CB C 13 32.8272672 . . 1 . . . . . 151 TRP CB . 53521 1 452 . 1 . 1 62 62 TRP N N 15 124.0388724 0.02187645215 . 1 . . . . . 151 TRP N . 53521 1 453 . 1 . 1 63 63 GLY H H 1 6.432305419 0.002680711535 . 1 . . . . . 152 GLY H . 53521 1 454 . 1 . 1 63 63 GLY HA2 H 1 3.800911188 . . 2 . . . . . 152 GLY HA2 . 53521 1 455 . 1 . 1 63 63 GLY HA3 H 1 3.701570272 . . 2 . . . . . 152 GLY HA3 . 53521 1 456 . 1 . 1 63 63 GLY C C 13 170.9452637 0.01206426522 . 1 . . . . . 152 GLY C . 53521 1 457 . 1 . 1 63 63 GLY CA C 13 44.90233371 0.008506309158 . 1 . . . . . 152 GLY CA . 53521 1 458 . 1 . 1 63 63 GLY N N 15 103.8250745 0.0113577021 . 1 . . . . . 152 GLY N . 53521 1 459 . 1 . 1 64 64 ARG H H 1 8.21979397 0.002579506407 . 1 . . . . . 153 ARG H . 53521 1 460 . 1 . 1 64 64 ARG HA H 1 4.711721483 . . 1 . . . . . 153 ARG HA . 53521 1 461 . 1 . 1 64 64 ARG HB2 H 1 1.61014533 . . 2 . . . . . 153 ARG HB2 . 53521 1 462 . 1 . 1 64 64 ARG HB3 H 1 1.504395485 . . 2 . . . . . 153 ARG HB3 . 53521 1 463 . 1 . 1 64 64 ARG C C 13 176.7997469 0.01157114235 . 1 . . . . . 153 ARG C . 53521 1 464 . 1 . 1 64 64 ARG CA C 13 54.69687271 0.01207129809 . 1 . . . . . 153 ARG CA . 53521 1 465 . 1 . 1 64 64 ARG CB C 13 31.28746253 . . 1 . . . . . 153 ARG CB . 53521 1 466 . 1 . 1 64 64 ARG N N 15 120.0622798 0.002553528474 . 1 . . . . . 153 ARG N . 53521 1 467 . 1 . 1 65 65 VAL H H 1 8.298505352 0.001403834595 . 1 . . . . . 154 VAL H . 53521 1 468 . 1 . 1 65 65 VAL HA H 1 3.678267873 . . 1 . . . . . 154 VAL HA . 53521 1 469 . 1 . 1 65 65 VAL HB H 1 1.792184066 . . 1 . . . . . 154 VAL HB . 53521 1 470 . 1 . 1 65 65 VAL C C 13 177.0221032 0.03171103333 . 1 . . . . . 154 VAL C . 53521 1 471 . 1 . 1 65 65 VAL CA C 13 65.18525764 0.02333960983 . 1 . . . . . 154 VAL CA . 53521 1 472 . 1 . 1 65 65 VAL CB C 13 31.71219144 . . 1 . . . . . 154 VAL CB . 53521 1 473 . 1 . 1 65 65 VAL N N 15 122.6867695 0.01740563653 . 1 . . . . . 154 VAL N . 53521 1 474 . 1 . 1 66 66 GLY H H 1 8.838319058 0.004372799509 . 1 . . . . . 155 GLY H . 53521 1 475 . 1 . 1 66 66 GLY HA2 H 1 4.110635788 . . 2 . . . . . 155 GLY HA2 . 53521 1 476 . 1 . 1 66 66 GLY HA3 H 1 3.492332912 . . 2 . . . . . 155 GLY HA3 . 53521 1 477 . 1 . 1 66 66 GLY C C 13 173.7871675 0.01078609969 . 1 . . . . . 155 GLY C . 53521 1 478 . 1 . 1 66 66 GLY CA C 13 44.77802438 0.04631034686 . 1 . . . . . 155 GLY CA . 53521 1 479 . 1 . 1 66 66 GLY N N 15 114.8850141 0.01652178624 . 1 . . . . . 155 GLY N . 53521 1 480 . 1 . 1 67 67 LYS H H 1 8.021048503 0.001325749898 . 1 . . . . . 156 LYS H . 53521 1 481 . 1 . 1 67 67 LYS HA H 1 4.63636446 . . 1 . . . . . 156 LYS HA . 53521 1 482 . 1 . 1 67 67 LYS HB2 H 1 1.826676488 . . 2 . . . . . 156 LYS HB2 . 53521 1 483 . 1 . 1 67 67 LYS HB3 H 1 1.830521584 . . 2 . . . . . 156 LYS HB3 . 53521 1 484 . 1 . 1 67 67 LYS C C 13 177.1250091 0.0090895365 . 1 . . . . . 156 LYS C . 53521 1 485 . 1 . 1 67 67 LYS CA C 13 53.020832 0.03728942249 . 1 . . . . . 156 LYS CA . 53521 1 486 . 1 . 1 67 67 LYS CB C 13 34.09236446 . . 1 . . . . . 156 LYS CB . 53521 1 487 . 1 . 1 67 67 LYS N N 15 118.8213998 0.01295458695 . 1 . . . . . 156 LYS N . 53521 1 488 . 1 . 1 68 68 MET H H 1 8.727759546 0.001389187246 . 1 . . . . . 157 MET H . 53521 1 489 . 1 . 1 68 68 MET HA H 1 4.106455638 . . 1 . . . . . 157 MET HA . 53521 1 490 . 1 . 1 68 68 MET HB2 H 1 1.891328574 . . 2 . . . . . 157 MET HB2 . 53521 1 491 . 1 . 1 68 68 MET C C 13 176.8961194 0.007888048449 . 1 . . . . . 157 MET C . 53521 1 492 . 1 . 1 68 68 MET CA C 13 56.68768192 0.0839246416 . 1 . . . . . 157 MET CA . 53521 1 493 . 1 . 1 68 68 MET CB C 13 31.88973815 . . 1 . . . . . 157 MET CB . 53521 1 494 . 1 . 1 68 68 MET N N 15 122.7274833 0.001833245338 . 1 . . . . . 157 MET N . 53521 1 495 . 1 . 1 69 69 GLY H H 1 8.305007902 0.003036277789 . 1 . . . . . 158 GLY H . 53521 1 496 . 1 . 1 69 69 GLY HA2 H 1 3.914659397 . . 2 . . . . . 158 GLY HA2 . 53521 1 497 . 1 . 1 69 69 GLY HA3 H 1 3.622845877 . . 2 . . . . . 158 GLY HA3 . 53521 1 498 . 1 . 1 69 69 GLY C C 13 173.8494622 0.01524499997 . 1 . . . . . 158 GLY C . 53521 1 499 . 1 . 1 69 69 GLY CA C 13 45.03490951 0.03948522162 . 1 . . . . . 158 GLY CA . 53521 1 500 . 1 . 1 69 69 GLY N N 15 110.2607394 0.01683935614 . 1 . . . . . 158 GLY N . 53521 1 501 . 1 . 1 70 70 GLN H H 1 7.80090141 0.001760784386 . 1 . . . . . 159 GLN H . 53521 1 502 . 1 . 1 70 70 GLN HA H 1 3.830605208 . . 1 . . . . . 159 GLN HA . 53521 1 503 . 1 . 1 70 70 GLN C C 13 172.3677072 0.007179734795 . 1 . . . . . 159 GLN C . 53521 1 504 . 1 . 1 70 70 GLN CA C 13 53.63153201 0.03506976 . 1 . . . . . 159 GLN CA . 53521 1 505 . 1 . 1 70 70 GLN CB C 13 31.80569504 . . 1 . . . . . 159 GLN CB . 53521 1 506 . 1 . 1 70 70 GLN N N 15 120.0562149 0.01875326622 . 1 . . . . . 159 GLN N . 53521 1 507 . 1 . 1 71 71 HIS H H 1 7.530963709 0.002044120524 . 1 . . . . . 160 HIS H . 53521 1 508 . 1 . 1 71 71 HIS HA H 1 4.629650593 . . 1 . . . . . 160 HIS HA . 53521 1 509 . 1 . 1 71 71 HIS HB2 H 1 2.059975147 . . 2 . . . . . 160 HIS HB2 . 53521 1 510 . 1 . 1 71 71 HIS HB3 H 1 2.055152178 . . 2 . . . . . 160 HIS HB3 . 53521 1 511 . 1 . 1 71 71 HIS C C 13 173.7293021 0.004986801574 . 1 . . . . . 160 HIS C . 53521 1 512 . 1 . 1 71 71 HIS CA C 13 54.17559369 0.04659236398 . 1 . . . . . 160 HIS CA . 53521 1 513 . 1 . 1 71 71 HIS CB C 13 32.96049638 . . 1 . . . . . 160 HIS CB . 53521 1 514 . 1 . 1 71 71 HIS N N 15 112.0504505 0.02000997533 . 1 . . . . . 160 HIS N . 53521 1 515 . 1 . 1 72 72 SER H H 1 8.464586868 0.001584866106 . 1 . . . . . 161 SER H . 53521 1 516 . 1 . 1 72 72 SER HA H 1 4.437069908 . . 1 . . . . . 161 SER HA . 53521 1 517 . 1 . 1 72 72 SER HB2 H 1 3.658212662 . . 2 . . . . . 161 SER HB2 . 53521 1 518 . 1 . 1 72 72 SER HB3 H 1 3.649137259 . . 2 . . . . . 161 SER HB3 . 53521 1 519 . 1 . 1 72 72 SER C C 13 171.014521 0.01221356441 . 1 . . . . . 161 SER C . 53521 1 520 . 1 . 1 72 72 SER CA C 13 57.52847672 0.03014559134 . 1 . . . . . 161 SER CA . 53521 1 521 . 1 . 1 72 72 SER CB C 13 65.51829477 . . 1 . . . . . 161 SER CB . 53521 1 522 . 1 . 1 72 72 SER N N 15 113.5222572 0.004718003714 . 1 . . . . . 161 SER N . 53521 1 523 . 1 . 1 73 73 LEU H H 1 8.479897022 0.002090983926 . 1 . . . . . 162 LEU H . 53521 1 524 . 1 . 1 73 73 LEU HA H 1 5.484583393 . . 1 . . . . . 162 LEU HA . 53521 1 525 . 1 . 1 73 73 LEU HB2 H 1 2.064278042 . . 2 . . . . . 162 LEU HB2 . 53521 1 526 . 1 . 1 73 73 LEU HB3 H 1 1.608259245 . . 2 . . . . . 162 LEU HB3 . 53521 1 527 . 1 . 1 73 73 LEU C C 13 175.7835083 0.0087144941 . 1 . . . . . 162 LEU C . 53521 1 528 . 1 . 1 73 73 LEU CA C 13 53.48440153 0.05251181436 . 1 . . . . . 162 LEU CA . 53521 1 529 . 1 . 1 73 73 LEU CB C 13 44.19374678 . . 1 . . . . . 162 LEU CB . 53521 1 530 . 1 . 1 73 73 LEU N N 15 127.5483986 0.01432804444 . 1 . . . . . 162 LEU N . 53521 1 531 . 1 . 1 74 74 VAL H H 1 9.605290637 0.0023454382 . 1 . . . . . 163 VAL H . 53521 1 532 . 1 . 1 74 74 VAL HA H 1 4.117662546 . . 1 . . . . . 163 VAL HA . 53521 1 533 . 1 . 1 74 74 VAL HB H 1 1.854290843 . . 1 . . . . . 163 VAL HB . 53521 1 534 . 1 . 1 74 74 VAL C C 13 175.3448643 0.004266700096 . 1 . . . . . 163 VAL C . 53521 1 535 . 1 . 1 74 74 VAL CA C 13 61.64692293 0.00384239335 . 1 . . . . . 163 VAL CA . 53521 1 536 . 1 . 1 74 74 VAL CB C 13 33.17768027 . . 1 . . . . . 163 VAL CB . 53521 1 537 . 1 . 1 74 74 VAL N N 15 129.6819249 0.01728793455 . 1 . . . . . 163 VAL N . 53521 1 538 . 1 . 1 75 75 ALA H H 1 8.888123838 0.00144076695 . 1 . . . . . 164 ALA H . 53521 1 539 . 1 . 1 75 75 ALA HA H 1 4.302747534 . . 1 . . . . . 164 ALA HA . 53521 1 540 . 1 . 1 75 75 ALA HB1 H 1 1.318761869 . . 1 . . . . . 164 ALA HB# . 53521 1 541 . 1 . 1 75 75 ALA HB2 H 1 1.318761869 . . 1 . . . . . 164 ALA HB# . 53521 1 542 . 1 . 1 75 75 ALA HB3 H 1 1.318761869 . . 1 . . . . . 164 ALA HB# . 53521 1 543 . 1 . 1 75 75 ALA C C 13 178.3298967 0.004766607721 . 1 . . . . . 164 ALA C . 53521 1 544 . 1 . 1 75 75 ALA CA C 13 52.838 0.011285785 . 1 . . . . . 164 ALA CA . 53521 1 545 . 1 . 1 75 75 ALA CB C 13 18.95135117 . . 1 . . . . . 164 ALA CB . 53521 1 546 . 1 . 1 75 75 ALA N N 15 132.4129243 0.008011514319 . 1 . . . . . 164 ALA N . 53521 1 547 . 1 . 1 76 76 CYS H H 1 8.50471744 0.00193617244 . 1 . . . . . 165 CYS H . 53521 1 548 . 1 . 1 76 76 CYS HA H 1 4.552391514 . . 1 . . . . . 165 CYS HA . 53521 1 549 . 1 . 1 76 76 CYS HB2 H 1 2.958052299 . . 2 . . . . . 165 CYS HB2 . 53521 1 550 . 1 . 1 76 76 CYS HB3 H 1 2.306979195 . . 2 . . . . . 165 CYS HB3 . 53521 1 551 . 1 . 1 76 76 CYS C C 13 174.1129075 0.02440099993 . 1 . . . . . 165 CYS C . 53521 1 552 . 1 . 1 76 76 CYS CA C 13 58.76948547 0.003993498987 . 1 . . . . . 165 CYS CA . 53521 1 553 . 1 . 1 76 76 CYS CB C 13 29.0358696 . . 1 . . . . . 165 CYS CB . 53521 1 554 . 1 . 1 76 76 CYS N N 15 119.4187716 0.009900099096 . 1 . . . . . 165 CYS N . 53521 1 555 . 1 . 1 77 77 SER H H 1 8.795839639 0.001020079449 . 1 . . . . . 166 SER H . 53521 1 556 . 1 . 1 77 77 SER HA H 1 4.071094513 . . 1 . . . . . 166 SER HA . 53521 1 557 . 1 . 1 77 77 SER HB2 H 1 3.796179295 . . 2 . . . . . 166 SER HB2 . 53521 1 558 . 1 . 1 77 77 SER HB3 H 1 3.743921995 . . 2 . . . . . 166 SER HB3 . 53521 1 559 . 1 . 1 77 77 SER C C 13 174.2134213 0.003446350449 . 1 . . . . . 166 SER C . 53521 1 560 . 1 . 1 77 77 SER CA C 13 58.2789272 0.04662673006 . 1 . . . . . 166 SER CA . 53521 1 561 . 1 . 1 77 77 SER CB C 13 60.96247604 . . 1 . . . . . 166 SER CB . 53521 1 562 . 1 . 1 77 77 SER N N 15 118.4156239 0.0165761698 . 1 . . . . . 166 SER N . 53521 1 563 . 1 . 1 78 78 GLY H H 1 8.356523932 0.002093802512 . 1 . . . . . 167 GLY H . 53521 1 564 . 1 . 1 78 78 GLY HA2 H 1 4.463149502 . . 2 . . . . . 167 GLY HA2 . 53521 1 565 . 1 . 1 78 78 GLY HA3 H 1 3.679447663 . . 2 . . . . . 167 GLY HA3 . 53521 1 566 . 1 . 1 78 78 GLY C C 13 173.8884735 0.02809139997 . 1 . . . . . 167 GLY C . 53521 1 567 . 1 . 1 78 78 GLY CA C 13 45.70500504 0.0135524032 . 1 . . . . . 167 GLY CA . 53521 1 568 . 1 . 1 78 78 GLY N N 15 111.114797 0.0168130113 . 1 . . . . . 167 GLY N . 53521 1 569 . 1 . 1 79 79 ASN H H 1 7.903215251 0.002268259724 . 1 . . . . . 168 ASN H . 53521 1 570 . 1 . 1 79 79 ASN HA H 1 4.615044599 . . 1 . . . . . 168 ASN HA . 53521 1 571 . 1 . 1 79 79 ASN HB2 H 1 3.216479986 . . 2 . . . . . 168 ASN HB2 . 53521 1 572 . 1 . 1 79 79 ASN HB3 H 1 2.533341014 . . 2 . . . . . 168 ASN HB3 . 53521 1 573 . 1 . 1 79 79 ASN C C 13 173.5026455 0.008949887295 . 1 . . . . . 168 ASN C . 53521 1 574 . 1 . 1 79 79 ASN CA C 13 51.43690557 0.03068089467 . 1 . . . . . 168 ASN CA . 53521 1 575 . 1 . 1 79 79 ASN CB C 13 37.18901221 . . 1 . . . . . 168 ASN CB . 53521 1 576 . 1 . 1 79 79 ASN N N 15 119.540858 0.01114062311 . 1 . . . . . 168 ASN N . 53521 1 577 . 1 . 1 80 80 LEU H H 1 7.35943314 0.001324423118 . 1 . . . . . 169 LEU H . 53521 1 578 . 1 . 1 80 80 LEU HB2 H 1 1.004291246 . . 2 . . . . . 169 LEU HB2 . 53521 1 579 . 1 . 1 80 80 LEU C C 13 177.3158556 0.007272996705 . 1 . . . . . 169 LEU C . 53521 1 580 . 1 . 1 80 80 LEU CA C 13 56.55274182 0.04936502874 . 1 . . . . . 169 LEU CA . 53521 1 581 . 1 . 1 80 80 LEU CB C 13 40.3681609 . . 1 . . . . . 169 LEU CB . 53521 1 582 . 1 . 1 80 80 LEU N N 15 126.800392 0.006790955636 . 1 . . . . . 169 LEU N . 53521 1 583 . 1 . 1 81 81 ASN H H 1 8.217604481 0.001576955769 . 1 . . . . . 170 ASN H . 53521 1 584 . 1 . 1 81 81 ASN HA H 1 3.921217419 . . 1 . . . . . 170 ASN HA . 53521 1 585 . 1 . 1 81 81 ASN HB2 H 1 2.594338179 . . 2 . . . . . 170 ASN HB2 . 53521 1 586 . 1 . 1 81 81 ASN HB3 H 1 2.577456951 . . 2 . . . . . 170 ASN HB3 . 53521 1 587 . 1 . 1 81 81 ASN C C 13 177.7760667 0.002714025075 . 1 . . . . . 170 ASN C . 53521 1 588 . 1 . 1 81 81 ASN CA C 13 56.06207021 0.01552628852 . 1 . . . . . 170 ASN CA . 53521 1 589 . 1 . 1 81 81 ASN CB C 13 36.83572336 . . 1 . . . . . 170 ASN CB . 53521 1 590 . 1 . 1 81 81 ASN N N 15 116.4000469 0.0109755962 . 1 . . . . . 170 ASN N . 53521 1 591 . 1 . 1 82 82 LYS H H 1 7.261945345 0.001129402974 . 1 . . . . . 171 LYS H . 53521 1 592 . 1 . 1 82 82 LYS HA H 1 3.845990338 . . 1 . . . . . 171 LYS HA . 53521 1 593 . 1 . 1 82 82 LYS HB2 H 1 1.557853341 . . 2 . . . . . 171 LYS HB2 . 53521 1 594 . 1 . 1 82 82 LYS HB3 H 1 1.557853341 . . 2 . . . . . 171 LYS HB3 . 53521 1 595 . 1 . 1 82 82 LYS C C 13 177.1028656 0.008217259028 . 1 . . . . . 171 LYS C . 53521 1 596 . 1 . 1 82 82 LYS CA C 13 57.77539051 0.0278976809 . 1 . . . . . 171 LYS CA . 53521 1 597 . 1 . 1 82 82 LYS CB C 13 32.04287281 . . 1 . . . . . 171 LYS CB . 53521 1 598 . 1 . 1 82 82 LYS N N 15 121.6556526 0.004930735828 . 1 . . . . . 171 LYS N . 53521 1 599 . 1 . 1 83 83 ALA H H 1 7.063505334 0.001522512042 . 1 . . . . . 172 ALA H . 53521 1 600 . 1 . 1 83 83 ALA HA H 1 3.830856293 . . 1 . . . . . 172 ALA HA . 53521 1 601 . 1 . 1 83 83 ALA HB1 H 1 0.9111592751 . . 1 . . . . . 172 ALA HB# . 53521 1 602 . 1 . 1 83 83 ALA HB2 H 1 0.9111592751 . . 1 . . . . . 172 ALA HB# . 53521 1 603 . 1 . 1 83 83 ALA HB3 H 1 0.9111592751 . . 1 . . . . . 172 ALA HB# . 53521 1 604 . 1 . 1 83 83 ALA C C 13 178.6064327 0.00977782776 . 1 . . . . . 172 ALA C . 53521 1 605 . 1 . 1 83 83 ALA CA C 13 55.1102545 0.03568904183 . 1 . . . . . 172 ALA CA . 53521 1 606 . 1 . 1 83 83 ALA CB C 13 17.48398399 . . 1 . . . . . 172 ALA CB . 53521 1 607 . 1 . 1 83 83 ALA N N 15 120.9969478 0.006952875868 . 1 . . . . . 172 ALA N . 53521 1 608 . 1 . 1 84 84 LYS H H 1 8.330415422 0.0009629084521 . 1 . . . . . 173 LYS H . 53521 1 609 . 1 . 1 84 84 LYS HA H 1 3.202989522 . . 1 . . . . . 173 LYS HA . 53521 1 610 . 1 . 1 84 84 LYS HB2 H 1 1.493788958 . . 2 . . . . . 173 LYS HB2 . 53521 1 611 . 1 . 1 84 84 LYS HB3 H 1 1.49893856 . . 2 . . . . . 173 LYS HB3 . 53521 1 612 . 1 . 1 84 84 LYS C C 13 178.1605948 0.00302127696 . 1 . . . . . 173 LYS C . 53521 1 613 . 1 . 1 84 84 LYS CA C 13 60.40868809 0.02136012415 . 1 . . . . . 173 LYS CA . 53521 1 614 . 1 . 1 84 84 LYS CB C 13 32.87961068 . . 1 . . . . . 173 LYS CB . 53521 1 615 . 1 . 1 84 84 LYS N N 15 116.5428203 0.01180999731 . 1 . . . . . 173 LYS N . 53521 1 616 . 1 . 1 85 85 GLU H H 1 7.828096808 0.001916360188 . 1 . . . . . 174 GLU H . 53521 1 617 . 1 . 1 85 85 GLU HA H 1 3.786218239 . . 1 . . . . . 174 GLU HA . 53521 1 618 . 1 . 1 85 85 GLU HB2 H 1 1.991054058 . . 2 . . . . . 174 GLU HB2 . 53521 1 619 . 1 . 1 85 85 GLU HB3 H 1 1.993207216 . . 2 . . . . . 174 GLU HB3 . 53521 1 620 . 1 . 1 85 85 GLU C C 13 178.8450671 0.004275248674 . 1 . . . . . 174 GLU C . 53521 1 621 . 1 . 1 85 85 GLU CA C 13 59.51390203 0.04873218845 . 1 . . . . . 174 GLU CA . 53521 1 622 . 1 . 1 85 85 GLU CB C 13 29.36177063 . . 1 . . . . . 174 GLU CB . 53521 1 623 . 1 . 1 85 85 GLU N N 15 119.7852665 0.01147138956 . 1 . . . . . 174 GLU N . 53521 1 624 . 1 . 1 86 86 ILE H H 1 8.153684486 0.01240343588 . 1 . . . . . 175 ILE H . 53521 1 625 . 1 . 1 86 86 ILE HA H 1 4.21811676 . . 1 . . . . . 175 ILE HA . 53521 1 626 . 1 . 1 86 86 ILE HB H 1 2.762083054 . . 1 . . . . . 175 ILE HB . 53521 1 627 . 1 . 1 86 86 ILE C C 13 178.6137 0.01319210508 . 1 . . . . . 175 ILE C . 53521 1 628 . 1 . 1 86 86 ILE CA C 13 65.17220454 0.03634303595 . 1 . . . . . 175 ILE CA . 53521 1 629 . 1 . 1 86 86 ILE CB C 13 38.0305481 . . 1 . . . . . 175 ILE CB . 53521 1 630 . 1 . 1 86 86 ILE N N 15 119.8659762 0.0110220102 . 1 . . . . . 175 ILE N . 53521 1 631 . 1 . 1 87 87 PHE H H 1 8.114429659 0.005424428888 . 1 . . . . . 176 PHE H . 53521 1 632 . 1 . 1 87 87 PHE HA H 1 3.554068011 . . 1 . . . . . 176 PHE HA . 53521 1 633 . 1 . 1 87 87 PHE C C 13 176.5066188 0.01847990876 . 1 . . . . . 176 PHE C . 53521 1 634 . 1 . 1 87 87 PHE CA C 13 61.65729772 0.04106623545 . 1 . . . . . 176 PHE CA . 53521 1 635 . 1 . 1 87 87 PHE CB C 13 40.34708676 . . 1 . . . . . 176 PHE CB . 53521 1 636 . 1 . 1 87 87 PHE N N 15 120.2136982 0.01981587675 . 1 . . . . . 176 PHE N . 53521 1 637 . 1 . 1 88 88 GLN H H 1 9.057007623 0.003405883998 . 1 . . . . . 177 GLN H . 53521 1 638 . 1 . 1 88 88 GLN HA H 1 3.611158426 . . 1 . . . . . 177 GLN HA . 53521 1 639 . 1 . 1 88 88 GLN HB2 H 1 2.23158884 . . 2 . . . . . 177 GLN HB2 . 53521 1 640 . 1 . 1 88 88 GLN C C 13 179.9402337 0.02346880382 . 1 . . . . . 177 GLN C . 53521 1 641 . 1 . 1 88 88 GLN CA C 13 59.7670074 0.04271289915 . 1 . . . . . 177 GLN CA . 53521 1 642 . 1 . 1 88 88 GLN CB C 13 27.93927913 . . 1 . . . . . 177 GLN CB . 53521 1 643 . 1 . 1 88 88 GLN N N 15 116.4012149 0.01289531716 . 1 . . . . . 177 GLN N . 53521 1 644 . 1 . 1 89 89 LYS H H 1 8.798044688 0.004144679098 . 1 . . . . . 178 LYS H . 53521 1 645 . 1 . 1 89 89 LYS HA H 1 4.01730092 . . 1 . . . . . 178 LYS HA . 53521 1 646 . 1 . 1 89 89 LYS HB2 H 1 1.751767039 . . 2 . . . . . 178 LYS HB2 . 53521 1 647 . 1 . 1 89 89 LYS HB3 H 1 1.756073475 . . 2 . . . . . 178 LYS HB3 . 53521 1 648 . 1 . 1 89 89 LYS C C 13 178.5394407 0.004722200017 . 1 . . . . . 178 LYS C . 53521 1 649 . 1 . 1 89 89 LYS CA C 13 59.15552204 0.02028826815 . 1 . . . . . 178 LYS CA . 53521 1 650 . 1 . 1 89 89 LYS CB C 13 31.77964975 . . 1 . . . . . 178 LYS CB . 53521 1 651 . 1 . 1 89 89 LYS N N 15 122.2101664 0.01105170682 . 1 . . . . . 178 LYS N . 53521 1 652 . 1 . 1 90 90 LYS H H 1 7.691332232 0.002553119407 . 1 . . . . . 179 LYS H . 53521 1 653 . 1 . 1 90 90 LYS HA H 1 3.869318008 . . 1 . . . . . 179 LYS HA . 53521 1 654 . 1 . 1 90 90 LYS HB2 H 1 1.595713854 . . 2 . . . . . 179 LYS HB2 . 53521 1 655 . 1 . 1 90 90 LYS C C 13 177.3960717 0.009665931961 . 1 . . . . . 179 LYS C . 53521 1 656 . 1 . 1 90 90 LYS CA C 13 56.57982193 0.01757968134 . 1 . . . . . 179 LYS CA . 53521 1 657 . 1 . 1 90 90 LYS CB C 13 28.43993678 . . 1 . . . . . 179 LYS CB . 53521 1 658 . 1 . 1 90 90 LYS N N 15 120.3375055 0.002964405148 . 1 . . . . . 179 LYS N . 53521 1 659 . 1 . 1 91 91 PHE H H 1 7.852277733 0.003040549754 . 1 . . . . . 180 PHE H . 53521 1 660 . 1 . 1 91 91 PHE HA H 1 5.672303677 . . 1 . . . . . 180 PHE HA . 53521 1 661 . 1 . 1 91 91 PHE HB2 H 1 3.396350384 . . 2 . . . . . 180 PHE HB2 . 53521 1 662 . 1 . 1 91 91 PHE HB3 H 1 2.997140646 . . 2 . . . . . 180 PHE HB3 . 53521 1 663 . 1 . 1 91 91 PHE C C 13 178.3741365 0.005496994643 . 1 . . . . . 180 PHE C . 53521 1 664 . 1 . 1 91 91 PHE CA C 13 62.72713435 0.03056410796 . 1 . . . . . 180 PHE CA . 53521 1 665 . 1 . 1 91 91 PHE CB C 13 39.5337931 . . 1 . . . . . 180 PHE CB . 53521 1 666 . 1 . 1 91 91 PHE N N 15 118.828507 0.01584107182 . 1 . . . . . 180 PHE N . 53521 1 667 . 1 . 1 92 92 LEU H H 1 8.209945061 0.001518680026 . 1 . . . . . 181 LEU H . 53521 1 668 . 1 . 1 92 92 LEU HA H 1 4.418441027 . . 1 . . . . . 181 LEU HA . 53521 1 669 . 1 . 1 92 92 LEU HB2 H 1 1.807380676 . . 2 . . . . . 181 LEU HB2 . 53521 1 670 . 1 . 1 92 92 LEU C C 13 180.0983637 0.01313839902 . 1 . . . . . 181 LEU C . 53521 1 671 . 1 . 1 92 92 LEU CA C 13 57.63814036 0.03298180581 . 1 . . . . . 181 LEU CA . 53521 1 672 . 1 . 1 92 92 LEU CB C 13 41.72021484 . . 1 . . . . . 181 LEU CB . 53521 1 673 . 1 . 1 92 92 LEU N N 15 124.1997599 0.02042913668 . 1 . . . . . 181 LEU N . 53521 1 674 . 1 . 1 93 93 ASP H H 1 8.529464278 0.001066701029 . 1 . . . . . 182 ASP H . 53521 1 675 . 1 . 1 93 93 ASP HA H 1 4.051190376 . . 1 . . . . . 182 ASP HA . 53521 1 676 . 1 . 1 93 93 ASP HB2 H 1 2.524578333 . . 2 . . . . . 182 ASP HB2 . 53521 1 677 . 1 . 1 93 93 ASP HB3 H 1 2.512520313 . . 2 . . . . . 182 ASP HB3 . 53521 1 678 . 1 . 1 93 93 ASP C C 13 178.0763151 0.004066000709 . 1 . . . . . 182 ASP C . 53521 1 679 . 1 . 1 93 93 ASP CA C 13 57.16890581 0.0156991993 . 1 . . . . . 182 ASP CA . 53521 1 680 . 1 . 1 93 93 ASP CB C 13 41.29375388 . . 1 . . . . . 182 ASP CB . 53521 1 681 . 1 . 1 93 93 ASP N N 15 121.3629452 0.01215968135 . 1 . . . . . 182 ASP N . 53521 1 682 . 1 . 1 94 94 LYS H H 1 7.473239205 0.001099840863 . 1 . . . . . 183 LYS H . 53521 1 683 . 1 . 1 94 94 LYS HA H 1 3.972011462 . . 1 . . . . . 183 LYS HA . 53521 1 684 . 1 . 1 94 94 LYS HB2 H 1 1.021326303 . . 2 . . . . . 183 LYS HB2 . 53521 1 685 . 1 . 1 94 94 LYS C C 13 177.8101708 0.004774336327 . 1 . . . . . 183 LYS C . 53521 1 686 . 1 . 1 94 94 LYS CA C 13 55.27923711 0.04812804323 . 1 . . . . . 183 LYS CA . 53521 1 687 . 1 . 1 94 94 LYS CB C 13 31.5895399 . . 1 . . . . . 183 LYS CB . 53521 1 688 . 1 . 1 94 94 LYS N N 15 110.819546 0.005785128953 . 1 . . . . . 183 LYS N . 53521 1 689 . 1 . 1 95 95 THR H H 1 7.730785513 0.00175354878 . 1 . . . . . 184 THR H . 53521 1 690 . 1 . 1 95 95 THR HA H 1 5.243560314 . . 1 . . . . . 184 THR HA . 53521 1 691 . 1 . 1 95 95 THR HB H 1 4.717720509 . . 1 . . . . . 184 THR HB . 53521 1 692 . 1 . 1 95 95 THR C C 13 176.3318728 . . 1 . . . . . 184 THR C . 53521 1 693 . 1 . 1 95 95 THR CA C 13 62.05969047 0.05746269501 . 1 . . . . . 184 THR CA . 53521 1 694 . 1 . 1 95 95 THR CB C 13 72.13475037 . . 1 . . . . . 184 THR CB . 53521 1 695 . 1 . 1 95 95 THR N N 15 106.1735835 0.0136944023 . 1 . . . . . 184 THR N . 53521 1 696 . 1 . 1 96 96 LYS H H 1 8.942558152 0.001498840783 . 1 . . . . . 185 LYS H . 53521 1 697 . 1 . 1 96 96 LYS HA H 1 3.642321348 . . 1 . . . . . 185 LYS HA . 53521 1 698 . 1 . 1 96 96 LYS HB2 H 1 2.149850607 . . 2 . . . . . 185 LYS HB2 . 53521 1 699 . 1 . 1 96 96 LYS HB3 H 1 1.568225861 . . 2 . . . . . 185 LYS HB3 . 53521 1 700 . 1 . 1 96 96 LYS C C 13 174.334414 0.01305737566 . 1 . . . . . 185 LYS C . 53521 1 701 . 1 . 1 96 96 LYS CA C 13 58.0218121 0.05656399 . 1 . . . . . 185 LYS CA . 53521 1 702 . 1 . 1 96 96 LYS CB C 13 32.26073888 . . 1 . . . . . 185 LYS CB . 53521 1 703 . 1 . 1 96 96 LYS N N 15 121.9921722 0.0000013 . 1 . . . . . 185 LYS N . 53521 1 704 . 1 . 1 97 97 ASN H H 1 8.411095045 0.001209913514 . 1 . . . . . 186 ASN H . 53521 1 705 . 1 . 1 97 97 ASN HA H 1 4.562054967 . . 1 . . . . . 186 ASN HA . 53521 1 706 . 1 . 1 97 97 ASN HB2 H 1 2.524932623 . . 2 . . . . . 186 ASN HB2 . 53521 1 707 . 1 . 1 97 97 ASN HB3 H 1 2.124071121 . . 2 . . . . . 186 ASN HB3 . 53521 1 708 . 1 . 1 97 97 ASN C C 13 171.9674156 0.00277255021 . 1 . . . . . 186 ASN C . 53521 1 709 . 1 . 1 97 97 ASN CA C 13 51.43748474 0.01446985334 . 1 . . . . . 186 ASN CA . 53521 1 710 . 1 . 1 97 97 ASN CB C 13 42.4021849 . . 1 . . . . . 186 ASN CB . 53521 1 711 . 1 . 1 97 97 ASN N N 15 117.883011 0.003369458361 . 1 . . . . . 186 ASN N . 53521 1 712 . 1 . 1 98 98 ASN H H 1 8.826145544 0.00223751842 . 1 . . . . . 187 ASN H . 53521 1 713 . 1 . 1 98 98 ASN HA H 1 4.853738785 . . 1 . . . . . 187 ASN HA . 53521 1 714 . 1 . 1 98 98 ASN HB2 H 1 2.621097326 . . 2 . . . . . 187 ASN HB2 . 53521 1 715 . 1 . 1 98 98 ASN C C 13 177.8936394 0.007569250027 . 1 . . . . . 187 ASN C . 53521 1 716 . 1 . 1 98 98 ASN CA C 13 52.64413834 0.03498952057 . 1 . . . . . 187 ASN CA . 53521 1 717 . 1 . 1 98 98 ASN CB C 13 38.54195406 . . 1 . . . . . 187 ASN CB . 53521 1 718 . 1 . 1 98 98 ASN N N 15 116.3701336 0.009703756842 . 1 . . . . . 187 ASN N . 53521 1 719 . 1 . 1 99 99 TRP H H 1 10.22820801 0.001361859994 . 1 . . . . . 188 TRP H . 53521 1 720 . 1 . 1 99 99 TRP C C 13 178.7456517 . . 1 . . . . . 188 TRP C . 53521 1 721 . 1 . 1 99 99 TRP CA C 13 60.00173889 0.0491678298 . 1 . . . . . 188 TRP CA . 53521 1 722 . 1 . 1 99 99 TRP N N 15 128.0210463 0.0103574015 . 1 . . . . . 188 TRP N . 53521 1 723 . 1 . 1 100 100 GLU H H 1 9.600790511 0.004821145475 . 1 . . . . . 189 GLU H . 53521 1 724 . 1 . 1 100 100 GLU HA H 1 3.684664087 . . 1 . . . . . 189 GLU HA . 53521 1 725 . 1 . 1 100 100 GLU HB2 H 1 1.865579128 . . 2 . . . . . 189 GLU HB2 . 53521 1 726 . 1 . 1 100 100 GLU HB3 H 1 1.841827989 . . 2 . . . . . 189 GLU HB3 . 53521 1 727 . 1 . 1 100 100 GLU C C 13 176.5756991 0.01310394986 . 1 . . . . . 189 GLU C . 53521 1 728 . 1 . 1 100 100 GLU CA C 13 58.03609467 0.05670269961 . 1 . . . . . 189 GLU CA . 53521 1 729 . 1 . 1 100 100 GLU CB C 13 28.21614075 . . 1 . . . . . 189 GLU CB . 53521 1 730 . 1 . 1 100 100 GLU N N 15 116.6594076 0.01783714807 . 1 . . . . . 189 GLU N . 53521 1 731 . 1 . 1 101 101 ASP H H 1 7.429726697 0.001322404908 . 1 . . . . . 190 ASP H . 53521 1 732 . 1 . 1 101 101 ASP HA H 1 4.805948734 . . 1 . . . . . 190 ASP HA . 53521 1 733 . 1 . 1 101 101 ASP HB2 H 1 2.953489022 . . 2 . . . . . 190 ASP HB2 . 53521 1 734 . 1 . 1 101 101 ASP HB3 H 1 2.506357908 . . 2 . . . . . 190 ASP HB3 . 53521 1 735 . 1 . 1 101 101 ASP C C 13 177.6286462 0.008034138702 . 1 . . . . . 190 ASP C . 53521 1 736 . 1 . 1 101 101 ASP CA C 13 53.75978746 0.05766825539 . 1 . . . . . 190 ASP CA . 53521 1 737 . 1 . 1 101 101 ASP CB C 13 41.58587063 . . 1 . . . . . 190 ASP CB . 53521 1 738 . 1 . 1 101 101 ASP N N 15 118.6620804 0.00734831403 . 1 . . . . . 190 ASP N . 53521 1 739 . 1 . 1 102 102 ARG H H 1 7.122553977 0.00186354243 . 1 . . . . . 191 ARG H . 53521 1 740 . 1 . 1 102 102 ARG HA H 1 4.645938396 . . 1 . . . . . 191 ARG HA . 53521 1 741 . 1 . 1 102 102 ARG HB2 H 1 1.818871737 . . 2 . . . . . 191 ARG HB2 . 53521 1 742 . 1 . 1 102 102 ARG HB3 H 1 1.007281303 . . 2 . . . . . 191 ARG HB3 . 53521 1 743 . 1 . 1 102 102 ARG C C 13 176.4476444 0.006182549893 . 1 . . . . . 191 ARG C . 53521 1 744 . 1 . 1 102 102 ARG CA C 13 59.23800277 0.01078347218 . 1 . . . . . 191 ARG CA . 53521 1 745 . 1 . 1 102 102 ARG CB C 13 28.37582779 . . 1 . . . . . 191 ARG CB . 53521 1 746 . 1 . 1 102 102 ARG N N 15 119.0054005 0.02896291424 . 1 . . . . . 191 ARG N . 53521 1 747 . 1 . 1 103 103 GLU H H 1 8.692190086 0.001058852852 . 1 . . . . . 192 GLU H . 53521 1 748 . 1 . 1 103 103 GLU HA H 1 4.016911507 . . 1 . . . . . 192 GLU HA . 53521 1 749 . 1 . 1 103 103 GLU HB2 H 1 1.803047657 . . 2 . . . . . 192 GLU HB2 . 53521 1 750 . 1 . 1 103 103 GLU HB3 H 1 1.78949523 . . 2 . . . . . 192 GLU HB3 . 53521 1 751 . 1 . 1 103 103 GLU C C 13 176.6630898 0.02114193991 . 1 . . . . . 192 GLU C . 53521 1 752 . 1 . 1 103 103 GLU CA C 13 58.43009695 0.04663663774 . 1 . . . . . 192 GLU CA . 53521 1 753 . 1 . 1 103 103 GLU CB C 13 28.58888626 . . 1 . . . . . 192 GLU CB . 53521 1 754 . 1 . 1 103 103 GLU N N 15 122.3587547 0.004211844289 . 1 . . . . . 192 GLU N . 53521 1 755 . 1 . 1 104 104 LYS H H 1 7.928696418 0.001040845187 . 1 . . . . . 193 LYS H . 53521 1 756 . 1 . 1 104 104 LYS HA H 1 4.477029316 . . 1 . . . . . 193 LYS HA . 53521 1 757 . 1 . 1 104 104 LYS HB2 H 1 1.767874171 . . 2 . . . . . 193 LYS HB2 . 53521 1 758 . 1 . 1 104 104 LYS HB3 H 1 1.523992447 . . 2 . . . . . 193 LYS HB3 . 53521 1 759 . 1 . 1 104 104 LYS C C 13 174.8506886 0.04014175001 . 1 . . . . . 193 LYS C . 53521 1 760 . 1 . 1 104 104 LYS CA C 13 53.90013087 0.02909372122 . 1 . . . . . 193 LYS CA . 53521 1 761 . 1 . 1 104 104 LYS CB C 13 31.29294363 . . 1 . . . . . 193 LYS CB . 53521 1 762 . 1 . 1 104 104 LYS N N 15 119.9273683 0.007931196889 . 1 . . . . . 193 LYS N . 53521 1 763 . 1 . 1 105 105 PHE H H 1 6.881423615 0.003569191842 . 1 . . . . . 194 PHE H . 53521 1 764 . 1 . 1 105 105 PHE HA H 1 3.753669317 . . 1 . . . . . 194 PHE HA . 53521 1 765 . 1 . 1 105 105 PHE HB2 H 1 2.834031105 . . 2 . . . . . 194 PHE HB2 . 53521 1 766 . 1 . 1 105 105 PHE C C 13 175.0527252 0.01563104975 . 1 . . . . . 194 PHE C . 53521 1 767 . 1 . 1 105 105 PHE CA C 13 59.34598668 0.0493558899 . 1 . . . . . 194 PHE CA . 53521 1 768 . 1 . 1 105 105 PHE CB C 13 40.23544212 . . 1 . . . . . 194 PHE CB . 53521 1 769 . 1 . 1 105 105 PHE N N 15 121.1512552 0.01134730498 . 1 . . . . . 194 PHE N . 53521 1 770 . 1 . 1 106 106 GLU H H 1 8.113703433 0.002489390546 . 1 . . . . . 195 GLU H . 53521 1 771 . 1 . 1 106 106 GLU HA H 1 4.377230586 . . 1 . . . . . 195 GLU HA . 53521 1 772 . 1 . 1 106 106 GLU HB2 H 1 1.640858173 . . 2 . . . . . 195 GLU HB2 . 53521 1 773 . 1 . 1 106 106 GLU HB3 H 1 1.640858173 . . 2 . . . . . 195 GLU HB3 . 53521 1 774 . 1 . 1 106 106 GLU C C 13 174.1146481 0.008957213798 . 1 . . . . . 195 GLU C . 53521 1 775 . 1 . 1 106 106 GLU CA C 13 54.39506531 0.05686211651 . 1 . . . . . 195 GLU CA . 53521 1 776 . 1 . 1 106 106 GLU CB C 13 31.45500755 . . 1 . . . . . 195 GLU CB . 53521 1 777 . 1 . 1 106 106 GLU N N 15 129.6966317 0.01507694405 . 1 . . . . . 195 GLU N . 53521 1 778 . 1 . 1 107 107 LYS H H 1 8.568923489 0.001432103761 . 1 . . . . . 196 LYS H . 53521 1 779 . 1 . 1 107 107 LYS HA H 1 4.129058828 . . 1 . . . . . 196 LYS HA . 53521 1 780 . 1 . 1 107 107 LYS HB2 H 1 1.699307799 . . 2 . . . . . 196 LYS HB2 . 53521 1 781 . 1 . 1 107 107 LYS HB3 H 1 1.692441702 . . 2 . . . . . 196 LYS HB3 . 53521 1 782 . 1 . 1 107 107 LYS C C 13 176.0683005 0.008413049966 . 1 . . . . . 196 LYS C . 53521 1 783 . 1 . 1 107 107 LYS CA C 13 56.14646854 0.02584017766 . 1 . . . . . 196 LYS CA . 53521 1 784 . 1 . 1 107 107 LYS CB C 13 32.17987475 . . 1 . . . . . 196 LYS CB . 53521 1 785 . 1 . 1 107 107 LYS N N 15 127.183459 0.00850592254 . 1 . . . . . 196 LYS N . 53521 1 786 . 1 . 1 108 108 VAL H H 1 9.236095744 0.001884869538 . 1 . . . . . 197 VAL H . 53521 1 787 . 1 . 1 108 108 VAL C C 13 174.347702 . . 1 . . . . . 197 VAL C . 53521 1 788 . 1 . 1 108 108 VAL CA C 13 58.82482147 . . 1 . . . . . 197 VAL CA . 53521 1 789 . 1 . 1 108 108 VAL N N 15 129.6653795 0.02216212594 . 1 . . . . . 197 VAL N . 53521 1 790 . 1 . 1 109 109 PRO HA H 1 4.07587943 . . 1 . . . . . 198 PRO HA . 53521 1 791 . 1 . 1 109 109 PRO HB2 H 1 1.725147085 . . 2 . . . . . 198 PRO HB2 . 53521 1 792 . 1 . 1 109 109 PRO HB3 H 1 2.120195641 . . 2 . . . . . 198 PRO HB3 . 53521 1 793 . 1 . 1 109 109 PRO C C 13 177.2836926 0.01204159994 . 1 . . . . . 198 PRO C . 53521 1 794 . 1 . 1 109 109 PRO CA C 13 64.06981278 0.02770614499 . 1 . . . . . 198 PRO CA . 53521 1 795 . 1 . 1 109 109 PRO CB C 13 31.5869106 . . 1 . . . . . 198 PRO CB . 53521 1 796 . 1 . 1 110 110 GLY H H 1 8.673810136 0.001942949672 . 1 . . . . . 199 GLY H . 53521 1 797 . 1 . 1 110 110 GLY HA2 H 1 4.026672413 . . 2 . . . . . 199 GLY HA2 . 53521 1 798 . 1 . 1 110 110 GLY HA3 H 1 3.502332117 . . 2 . . . . . 199 GLY HA3 . 53521 1 799 . 1 . 1 110 110 GLY C C 13 174.2084553 . . 1 . . . . . 199 GLY C . 53521 1 800 . 1 . 1 110 110 GLY CA C 13 45.02857999 0.01675373351 . 1 . . . . . 199 GLY CA . 53521 1 801 . 1 . 1 110 110 GLY N N 15 112.2584445 0.03864818847 . 1 . . . . . 199 GLY N . 53521 1 802 . 1 . 1 111 111 LYS H H 1 7.735288418 0.001547016354 . 1 . . . . . 200 LYS H . 53521 1 803 . 1 . 1 111 111 LYS HA H 1 4.633232992 . . 1 . . . . . 200 LYS HA . 53521 1 804 . 1 . 1 111 111 LYS C C 13 175.6003085 0.002114349944 . 1 . . . . . 200 LYS C . 53521 1 805 . 1 . 1 111 111 LYS CA C 13 52.26848856 0.06062696954 . 1 . . . . . 200 LYS CA . 53521 1 806 . 1 . 1 111 111 LYS CB C 13 30.84275436 . . 1 . . . . . 200 LYS CB . 53521 1 807 . 1 . 1 111 111 LYS N N 15 118.9998307 0.003002925229 . 1 . . . . . 200 LYS N . 53521 1 808 . 1 . 1 112 112 TYR H H 1 8.267073249 0.002872836642 . 1 . . . . . 201 TYR H . 53521 1 809 . 1 . 1 112 112 TYR HA H 1 4.191236128 . . 1 . . . . . 201 TYR HA . 53521 1 810 . 1 . 1 112 112 TYR C C 13 175.0907947 0.01941867568 . 1 . . . . . 201 TYR C . 53521 1 811 . 1 . 1 112 112 TYR CA C 13 58.78869327 0.0412133972 . 1 . . . . . 201 TYR CA . 53521 1 812 . 1 . 1 112 112 TYR CB C 13 39.11287308 . . 1 . . . . . 201 TYR CB . 53521 1 813 . 1 . 1 112 112 TYR N N 15 117.2648437 0.007469083607 . 1 . . . . . 201 TYR N . 53521 1 814 . 1 . 1 113 113 ASP H H 1 9.124109806 0.004434982532 . 1 . . . . . 202 ASP H . 53521 1 815 . 1 . 1 113 113 ASP HA H 1 4.991059634 . . 1 . . . . . 202 ASP HA . 53521 1 816 . 1 . 1 113 113 ASP HB2 H 1 2.522693157 . . 2 . . . . . 202 ASP HB2 . 53521 1 817 . 1 . 1 113 113 ASP HB3 H 1 2.515916824 . . 2 . . . . . 202 ASP HB3 . 53521 1 818 . 1 . 1 113 113 ASP C C 13 175.0441979 . . 1 . . . . . 202 ASP C . 53521 1 819 . 1 . 1 113 113 ASP CA C 13 51.70537186 0.03264746795 . 1 . . . . . 202 ASP CA . 53521 1 820 . 1 . 1 113 113 ASP CB C 13 43.15361277 . . 1 . . . . . 202 ASP CB . 53521 1 821 . 1 . 1 113 113 ASP N N 15 120.4654259 0.005128279334 . 1 . . . . . 202 ASP N . 53521 1 822 . 1 . 1 114 114 MET H H 1 7.401074942 0.002775490354 . 1 . . . . . 203 MET H . 53521 1 823 . 1 . 1 114 114 MET HA H 1 4.492769419 . . 1 . . . . . 203 MET HA . 53521 1 824 . 1 . 1 114 114 MET HB2 H 1 0.9722899199 . . 2 . . . . . 203 MET HB2 . 53521 1 825 . 1 . 1 114 114 MET HB3 H 1 0.9722899199 . . 2 . . . . . 203 MET HB3 . 53521 1 826 . 1 . 1 114 114 MET C C 13 174.6911667 0.01128694968 . 1 . . . . . 203 MET C . 53521 1 827 . 1 . 1 114 114 MET CA C 13 54.84272384 0.042785645 . 1 . . . . . 203 MET CA . 53521 1 828 . 1 . 1 114 114 MET CB C 13 34.67483139 . . 1 . . . . . 203 MET CB . 53521 1 829 . 1 . 1 114 114 MET N N 15 121.4613294 0.03164630556 . 1 . . . . . 203 MET N . 53521 1 830 . 1 . 1 115 115 LEU H H 1 8.395137709 0.0009354743598 . 1 . . . . . 204 LEU H . 53521 1 831 . 1 . 1 115 115 LEU HA H 1 4.192104816 . . 1 . . . . . 204 LEU HA . 53521 1 832 . 1 . 1 115 115 LEU HB2 H 1 1.378595114 . . 2 . . . . . 204 LEU HB2 . 53521 1 833 . 1 . 1 115 115 LEU HB3 H 1 1.376672626 . . 2 . . . . . 204 LEU HB3 . 53521 1 834 . 1 . 1 115 115 LEU C C 13 176.2823375 0.004588800566 . 1 . . . . . 204 LEU C . 53521 1 835 . 1 . 1 115 115 LEU CA C 13 54.6568806 0.05156147709 . 1 . . . . . 204 LEU CA . 53521 1 836 . 1 . 1 115 115 LEU CB C 13 42.33003115 . . 1 . . . . . 204 LEU CB . 53521 1 837 . 1 . 1 115 115 LEU N N 15 127.1463927 0.01979882206 . 1 . . . . . 204 LEU N . 53521 1 838 . 1 . 1 116 116 GLN H H 1 8.391174938 0.002864191479 . 1 . . . . . 205 GLN H . 53521 1 839 . 1 . 1 116 116 GLN HA H 1 4.143115407 . . 1 . . . . . 205 GLN HA . 53521 1 840 . 1 . 1 116 116 GLN HB2 H 1 1.835575819 . . 2 . . . . . 205 GLN HB2 . 53521 1 841 . 1 . 1 116 116 GLN HB3 H 1 1.830815792 . . 2 . . . . . 205 GLN HB3 . 53521 1 842 . 1 . 1 116 116 GLN C C 13 175.5218766 0.0116741479 . 1 . . . . . 205 GLN C . 53521 1 843 . 1 . 1 116 116 GLN CA C 13 55.57020187 0.02637828982 . 1 . . . . . 205 GLN CA . 53521 1 844 . 1 . 1 116 116 GLN CB C 13 29.03029823 . . 1 . . . . . 205 GLN CB . 53521 1 845 . 1 . 1 116 116 GLN N N 15 122.7097097 0.03501820156 . 1 . . . . . 205 GLN N . 53521 1 846 . 1 . 1 117 117 MET H H 1 8.33158442 0.001155915579 . 1 . . . . . 206 MET H . 53521 1 847 . 1 . 1 117 117 MET HA H 1 4.151765823 . . 1 . . . . . 206 MET HA . 53521 1 848 . 1 . 1 117 117 MET HB2 H 1 1.564200044 . . 2 . . . . . 206 MET HB2 . 53521 1 849 . 1 . 1 117 117 MET HB3 H 1 1.504699111 . . 2 . . . . . 206 MET HB3 . 53521 1 850 . 1 . 1 117 117 MET C C 13 175.2999588 0.005869125905 . 1 . . . . . 206 MET C . 53521 1 851 . 1 . 1 117 117 MET CA C 13 54.32584 0.04048099208 . 1 . . . . . 206 MET CA . 53521 1 852 . 1 . 1 117 117 MET CB C 13 32.75315694 . . 1 . . . . . 206 MET CB . 53521 1 853 . 1 . 1 117 117 MET N N 15 123.7777615 0.006631981204 . 1 . . . . . 206 MET N . 53521 1 854 . 1 . 1 118 118 ASP H H 1 8.24985988 0.00136238181 . 1 . . . . . 207 ASP H . 53521 1 855 . 1 . 1 118 118 ASP HA H 1 4.383196897 . . 1 . . . . . 207 ASP HA . 53521 1 856 . 1 . 1 118 118 ASP HB2 H 1 2.45937252 . . 2 . . . . . 207 ASP HB2 . 53521 1 857 . 1 . 1 118 118 ASP HB3 H 1 2.42155838 . . 2 . . . . . 207 ASP HB3 . 53521 1 858 . 1 . 1 118 118 ASP C C 13 175.7751807 0.02175711005 . 1 . . . . . 207 ASP C . 53521 1 859 . 1 . 1 118 118 ASP CA C 13 53.38574219 0.05087484853 . 1 . . . . . 207 ASP CA . 53521 1 860 . 1 . 1 118 118 ASP CB C 13 40.97128677 . . 1 . . . . . 207 ASP CB . 53521 1 861 . 1 . 1 118 118 ASP N N 15 121.672969 0.003691925177 . 1 . . . . . 207 ASP N . 53521 1 862 . 1 . 1 119 119 TYR H H 1 7.966469141 0.0008364355119 . 1 . . . . . 208 TYR H . 53521 1 863 . 1 . 1 119 119 TYR HA H 1 4.413621971 . . 1 . . . . . 208 TYR HA . 53521 1 864 . 1 . 1 119 119 TYR HB2 H 1 2.978776452 . . 2 . . . . . 208 TYR HB2 . 53521 1 865 . 1 . 1 119 119 TYR HB3 H 1 2.639155805 . . 2 . . . . . 208 TYR HB3 . 53521 1 866 . 1 . 1 119 119 TYR C C 13 175.8785312 0.02452411019 . 1 . . . . . 208 TYR C . 53521 1 867 . 1 . 1 119 119 TYR CA C 13 57.34172567 0.00390064244 . 1 . . . . . 208 TYR CA . 53521 1 868 . 1 . 1 119 119 TYR CB C 13 38.06388855 . . 1 . . . . . 208 TYR CB . 53521 1 869 . 1 . 1 119 119 TYR N N 15 120.8423855 0.00714380619 . 1 . . . . . 208 TYR N . 53521 1 870 . 1 . 1 120 120 ALA H H 1 8.045125676 0.001290007462 . 1 . . . . . 209 ALA H . 53521 1 871 . 1 . 1 120 120 ALA HA H 1 4.169099084 . . 1 . . . . . 209 ALA HA . 53521 1 872 . 1 . 1 120 120 ALA HB1 H 1 1.211560282 . . 1 . . . . . 209 ALA HB# . 53521 1 873 . 1 . 1 120 120 ALA HB2 H 1 1.211560282 . . 1 . . . . . 209 ALA HB# . 53521 1 874 . 1 . 1 120 120 ALA HB3 H 1 1.211560282 . . 1 . . . . . 209 ALA HB# . 53521 1 875 . 1 . 1 120 120 ALA C C 13 177.8799151 0.002698899663 . 1 . . . . . 209 ALA C . 53521 1 876 . 1 . 1 120 120 ALA CA C 13 52.62765576 0.02971267403 . 1 . . . . . 209 ALA CA . 53521 1 877 . 1 . 1 120 120 ALA CB C 13 19.12250645 . . 1 . . . . . 209 ALA CB . 53521 1 878 . 1 . 1 120 120 ALA N N 15 124.2263479 0.008441375365 . 1 . . . . . 209 ALA N . 53521 1 879 . 1 . 1 121 121 THR H H 1 7.900140412 0.001431875763 . 1 . . . . . 210 THR H . 53521 1 880 . 1 . 1 121 121 THR HA H 1 4.263534069 . . 1 . . . . . 210 THR HA . 53521 1 881 . 1 . 1 121 121 THR HB H 1 3.978931427 . . 1 . . . . . 210 THR HB . 53521 1 882 . 1 . 1 121 121 THR C C 13 174.2171657 0.004319621259 . 1 . . . . . 210 THR C . 53521 1 883 . 1 . 1 121 121 THR CA C 13 61.58699493 0.03191976157 . 1 . . . . . 210 THR CA . 53521 1 884 . 1 . 1 121 121 THR CB C 13 69.5589927 . . 1 . . . . . 210 THR CB . 53521 1 885 . 1 . 1 121 121 THR N N 15 112.0337285 0.00250790562 . 1 . . . . . 210 THR N . 53521 1 886 . 1 . 1 122 122 ASN H H 1 8.244008663 0.001536371627 . 1 . . . . . 211 ASN H . 53521 1 887 . 1 . 1 122 122 ASN HA H 1 4.610184193 . . 1 . . . . . 211 ASN HA . 53521 1 888 . 1 . 1 122 122 ASN HB2 H 1 2.620807171 . . 2 . . . . . 211 ASN HB2 . 53521 1 889 . 1 . 1 122 122 ASN HB3 H 1 2.589333773 . . 2 . . . . . 211 ASN HB3 . 53521 1 890 . 1 . 1 122 122 ASN C C 13 174.3119284 0.007986262784 . 1 . . . . . 211 ASN C . 53521 1 891 . 1 . 1 122 122 ASN CA C 13 53.20323818 0.01327003884 . 1 . . . . . 211 ASN CA . 53521 1 892 . 1 . 1 122 122 ASN CB C 13 38.81327209 . . 1 . . . . . 211 ASN CB . 53521 1 893 . 1 . 1 122 122 ASN N N 15 121.1639972 0.003718786444 . 1 . . . . . 211 ASN N . 53521 1 894 . 1 . 1 123 123 THR H H 1 7.6334084 0.001314630187 . 1 . . . . . 212 THR H . 53521 1 895 . 1 . 1 123 123 THR C C 13 179.0033467 . . 1 . . . . . 212 THR C . 53521 1 896 . 1 . 1 123 123 THR CA C 13 63.04764938 . . 1 . . . . . 212 THR CA . 53521 1 897 . 1 . 1 123 123 THR N N 15 118.8544855 0.003401996234 . 1 . . . . . 212 THR N . 53521 1 stop_ save_