################################### # 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 53378 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Amblyomin_X_Kunitz_Domain _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' . . . 53378 1 2 '2D 1H-13C HSQC aliphatic' . . . 53378 1 3 '2D 1H-13C HSQC aromatic' . . . 53378 1 4 '3D CBCA(CO)NH' . . . 53378 1 5 '3D HNCA' . . . 53378 1 6 '3D HNCACB' . . . 53378 1 7 '3D HNCO' . . . 53378 1 8 '3D HN(CA)CO' . . . 53378 1 9 '3D HCCH-TOCSY' . . . 53378 1 10 '3D (H)CCH-TOCSY' . . . 53378 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 . . 53378 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 ALA H H 1 8.181218503 0.001623131856 . . . . . . . 1 ALA H . 53378 1 2 . 1 . 1 1 1 ALA HA H 1 4.27111925 . . . . . . . . 1 ALA HA . 53378 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.360079189 0.0002384261553 . . . . . . . 1 ALA HB# . 53378 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.360079189 0.0002384261553 . . . . . . . 1 ALA HB# . 53378 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.360079189 0.0002384261553 . . . . . . . 1 ALA HB# . 53378 1 6 . 1 . 1 1 1 ALA C C 13 177.1505675 0.001243731719 . . . . . . . 1 ALA C . 53378 1 7 . 1 . 1 1 1 ALA CA C 13 52.75812325 . . . . . . . . 1 ALA CA . 53378 1 8 . 1 . 1 1 1 ALA CB C 13 19.313554 . . . . . . . . 1 ALA CB . 53378 1 9 . 1 . 1 1 1 ALA N N 15 123.7072571 0.02380009044 . . . . . . . 1 ALA N . 53378 1 10 . 1 . 1 2 2 ASN H H 1 8.438044809 0.002169629925 . . . . . . . 2 ASN H . 53378 1 11 . 1 . 1 2 2 ASN HA H 1 4.717392169 0.001765112551 . . . . . . . 2 ASN HA . 53378 1 12 . 1 . 1 2 2 ASN HB2 H 1 2.764252388 0.002359035687 . . . . . . . 2 ASN HB2 . 53378 1 13 . 1 . 1 2 2 ASN HB3 H 1 2.833696485 0.009421294821 . . . . . . . 2 ASN HB3 . 53378 1 14 . 1 . 1 2 2 ASN HD21 H 1 7.773323063 . . . . . . . . 2 ASN HD21 . 53378 1 15 . 1 . 1 2 2 ASN HD22 H 1 7.490856171 . . . . . . . . 2 ASN HD22 . 53378 1 16 . 1 . 1 2 2 ASN C C 13 175.0476654 . . . . . . . . 2 ASN C . 53378 1 17 . 1 . 1 2 2 ASN CA C 13 53.19560152 0.03930994078 . . . . . . . 2 ASN CA . 53378 1 18 . 1 . 1 2 2 ASN CB C 13 38.9846402 0.0255817067 . . . . . . . 2 ASN CB . 53378 1 19 . 1 . 1 2 2 ASN N N 15 117.5893741 0.04347829296 . . . . . . . 2 ASN N . 53378 1 20 . 1 . 1 2 2 ASN ND2 N 15 107.9369723 0.01007208509 . . . . . . . 2 ASN ND2 . 53378 1 21 . 1 . 1 3 3 SER H H 1 8.134948996 0.002629012021 . . . . . . . 3 SER H . 53378 1 22 . 1 . 1 3 3 SER HA H 1 4.407537398 0.001641752012 . . . . . . . 3 SER HA . 53378 1 23 . 1 . 1 3 3 SER HB2 H 1 3.875922573 0.003396370969 . . . . . . . 3 SER HB2 . 53378 1 24 . 1 . 1 3 3 SER HB3 H 1 3.952079146 0.003511035119 . . . . . . . 3 SER HB3 . 53378 1 25 . 1 . 1 3 3 SER C C 13 174.5458184 . . . . . . . . 3 SER C . 53378 1 26 . 1 . 1 3 3 SER CA C 13 58.96682963 0.07680184379 . . . . . . . 3 SER CA . 53378 1 27 . 1 . 1 3 3 SER CB C 13 63.94315252 0.007105435503 . . . . . . . 3 SER CB . 53378 1 28 . 1 . 1 3 3 SER N N 15 116.3203369 0.02438951234 . . . . . . . 3 SER N . 53378 1 29 . 1 . 1 4 4 LYS H H 1 8.360856048 0.002299383485 . . . . . . . 4 LYS H . 53378 1 30 . 1 . 1 4 4 LYS HA H 1 4.095228981 0.0005098011157 . . . . . . . 4 LYS HA . 53378 1 31 . 1 . 1 4 4 LYS HB2 H 1 1.822528824 0.003705878762 . . . . . . . 4 LYS HB2 . 53378 1 32 . 1 . 1 4 4 LYS HB3 H 1 1.796510396 . . . . . . . . 4 LYS HB3 . 53378 1 33 . 1 . 1 4 4 LYS HG2 H 1 1.472796305 . . . . . . . . 4 LYS HG# . 53378 1 34 . 1 . 1 4 4 LYS HG3 H 1 1.472796305 . . . . . . . . 4 LYS HG# . 53378 1 35 . 1 . 1 4 4 LYS HD2 H 1 1.660661527 . . . . . . . . 4 LYS HD2 . 53378 1 36 . 1 . 1 4 4 LYS HD3 H 1 1.670694311 . . . . . . . . 4 LYS HD3 . 53378 1 37 . 1 . 1 4 4 LYS HE2 H 1 2.984203821 . . . . . . . . 4 LYS HE# . 53378 1 38 . 1 . 1 4 4 LYS HE3 H 1 2.984203821 . . . . . . . . 4 LYS HE# . 53378 1 39 . 1 . 1 4 4 LYS C C 13 176.9123176 0.006632312246 . . . . . . . 4 LYS C . 53378 1 40 . 1 . 1 4 4 LYS CA C 13 57.72280962 0.02185034875 . . . . . . . 4 LYS CA . 53378 1 41 . 1 . 1 4 4 LYS CB C 13 32.14572662 0.01338333855 . . . . . . . 4 LYS CB . 53378 1 42 . 1 . 1 4 4 LYS CG C 13 25.17655691 . . . . . . . . 4 LYS CG . 53378 1 43 . 1 . 1 4 4 LYS CD C 13 29.13039332 0.0001030889514 . . . . . . . 4 LYS CD . 53378 1 44 . 1 . 1 4 4 LYS CE C 13 42.17890428 . . . . . . . . 4 LYS CE . 53378 1 45 . 1 . 1 4 4 LYS N N 15 122.174357 0.02365810756 . . . . . . . 4 LYS N . 53378 1 46 . 1 . 1 5 5 ALA H H 1 7.941594366 0.001887833042 . . . . . . . 5 ALA H . 53378 1 47 . 1 . 1 5 5 ALA HA H 1 4.096346176 . . . . . . . . 5 ALA HA . 53378 1 48 . 1 . 1 5 5 ALA HB1 H 1 1.414919028 0.001395888693 . . . . . . . 5 ALA HB# . 53378 1 49 . 1 . 1 5 5 ALA HB2 H 1 1.414919028 0.001395888693 . . . . . . . 5 ALA HB# . 53378 1 50 . 1 . 1 5 5 ALA HB3 H 1 1.414919028 0.001395888693 . . . . . . . 5 ALA HB# . 53378 1 51 . 1 . 1 5 5 ALA C C 13 179.7552746 . . . . . . . . 5 ALA C . 53378 1 52 . 1 . 1 5 5 ALA CA C 13 54.66097269 0.03853572598 . . . . . . . 5 ALA CA . 53378 1 53 . 1 . 1 5 5 ALA CB C 13 18.42096499 0.003936915952 . . . . . . . 5 ALA CB . 53378 1 54 . 1 . 1 5 5 ALA N N 15 122.8493857 0.02372236601 . . . . . . . 5 ALA N . 53378 1 55 . 1 . 1 6 6 VAL H H 1 7.608918245 0.001664289065 . . . . . . . 6 VAL H . 53378 1 56 . 1 . 1 6 6 VAL HA H 1 3.839647605 0.004392452793 . . . . . . . 6 VAL HA . 53378 1 57 . 1 . 1 6 6 VAL HB H 1 2.017176406 0.0002049949426 . . . . . . . 6 VAL HB . 53378 1 58 . 1 . 1 6 6 VAL HG11 H 1 1.000903618 . . . . . . . . 6 VAL HG1# . 53378 1 59 . 1 . 1 6 6 VAL HG12 H 1 1.000903618 . . . . . . . . 6 VAL HG1# . 53378 1 60 . 1 . 1 6 6 VAL HG13 H 1 1.000903618 . . . . . . . . 6 VAL HG1# . 53378 1 61 . 1 . 1 6 6 VAL HG21 H 1 0.9419492995 . . . . . . . . 6 VAL HG2# . 53378 1 62 . 1 . 1 6 6 VAL HG22 H 1 0.9419492995 . . . . . . . . 6 VAL HG2# . 53378 1 63 . 1 . 1 6 6 VAL HG23 H 1 0.9419492995 . . . . . . . . 6 VAL HG2# . 53378 1 64 . 1 . 1 6 6 VAL C C 13 176.0058406 . . . . . . . . 6 VAL C . 53378 1 65 . 1 . 1 6 6 VAL CA C 13 64.28687258 0.06924231836 . . . . . . . 6 VAL CA . 53378 1 66 . 1 . 1 6 6 VAL CB C 13 31.89033799 0.06962323109 . . . . . . . 6 VAL CB . 53378 1 67 . 1 . 1 6 6 VAL CG1 C 13 21.70411301 . . . . . . . . 6 VAL CG1 . 53378 1 68 . 1 . 1 6 6 VAL CG2 C 13 20.68011861 . . . . . . . . 6 VAL CG2 . 53378 1 69 . 1 . 1 6 6 VAL N N 15 113.7418677 0.02647096781 . . . . . . . 6 VAL N . 53378 1 70 . 1 . 1 7 7 CYS H H 1 7.580032618 0.003358936238 . . . . . . . 7 CYS H . 53378 1 71 . 1 . 1 7 7 CYS HA H 1 4.277298589 0.003461142108 . . . . . . . 7 CYS HA . 53378 1 72 . 1 . 1 7 7 CYS HB2 H 1 2.854183482 0.001498585591 . . . . . . . 7 CYS HB2 . 53378 1 73 . 1 . 1 7 7 CYS HB3 H 1 2.833170362 0.00434328053 . . . . . . . 7 CYS HB3 . 53378 1 74 . 1 . 1 7 7 CYS C C 13 173.186697 . . . . . . . . 7 CYS C . 53378 1 75 . 1 . 1 7 7 CYS CA C 13 57.06918655 0.03628550264 . . . . . . . 7 CYS CA . 53378 1 76 . 1 . 1 7 7 CYS CB C 13 39.88105304 0.09310976731 . . . . . . . 7 CYS CB . 53378 1 77 . 1 . 1 7 7 CYS N N 15 115.3983544 0.03779370729 . . . . . . . 7 CYS N . 53378 1 78 . 1 . 1 8 8 ASN H H 1 7.304341748 0.004228834074 . . . . . . . 8 ASN H . 53378 1 79 . 1 . 1 8 8 ASN HA H 1 4.985915176 0.00190081802 . . . . . . . 8 ASN HA . 53378 1 80 . 1 . 1 8 8 ASN HB2 H 1 2.64611354 0.003227233121 . . . . . . . 8 ASN HB2 . 53378 1 81 . 1 . 1 8 8 ASN HB3 H 1 3.018614796 0.003618051259 . . . . . . . 8 ASN HB3 . 53378 1 82 . 1 . 1 8 8 ASN HD21 H 1 7.512814973 0.003645196937 . . . . . . . 8 ASN HD21 . 53378 1 83 . 1 . 1 8 8 ASN HD22 H 1 6.892270749 . . . . . . . . 8 ASN HD22 . 53378 1 84 . 1 . 1 8 8 ASN C C 13 175.4226082 0.004184562937 . . . . . . . 8 ASN C . 53378 1 85 . 1 . 1 8 8 ASN CA C 13 52.56598118 0.02311026517 . . . . . . . 8 ASN CA . 53378 1 86 . 1 . 1 8 8 ASN CB C 13 39.61555252 0.02261551784 . . . . . . . 8 ASN CB . 53378 1 87 . 1 . 1 8 8 ASN N N 15 111.1731176 0.03079564403 . . . . . . . 8 ASN N . 53378 1 88 . 1 . 1 8 8 ASN ND2 N 15 112.2849262 0.004580486325 . . . . . . . 8 ASN ND2 . 53378 1 89 . 1 . 1 9 9 LEU H H 1 7.413542801 0.004119563511 . . . . . . . 9 LEU H . 53378 1 90 . 1 . 1 9 9 LEU HA H 1 4.483901225 . . . . . . . . 9 LEU HA . 53378 1 91 . 1 . 1 9 9 LEU HB2 H 1 1.578454546 . . . . . . . . 9 LEU HB2 . 53378 1 92 . 1 . 1 9 9 LEU HB3 H 1 1.940367536 . . . . . . . . 9 LEU HB3 . 53378 1 93 . 1 . 1 9 9 LEU HG H 1 1.945037336 . . . . . . . . 9 LEU HG . 53378 1 94 . 1 . 1 9 9 LEU HD11 H 1 0.9622561251 . . . . . . . . 9 LEU HD1# . 53378 1 95 . 1 . 1 9 9 LEU HD12 H 1 0.9622561251 . . . . . . . . 9 LEU HD1# . 53378 1 96 . 1 . 1 9 9 LEU HD13 H 1 0.9622561251 . . . . . . . . 9 LEU HD1# . 53378 1 97 . 1 . 1 9 9 LEU HD21 H 1 1.005133918 . . . . . . . . 9 LEU HD2# . 53378 1 98 . 1 . 1 9 9 LEU HD22 H 1 1.005133918 . . . . . . . . 9 LEU HD2# . 53378 1 99 . 1 . 1 9 9 LEU HD23 H 1 1.005133918 . . . . . . . . 9 LEU HD2# . 53378 1 100 . 1 . 1 9 9 LEU C C 13 174.3712276 . . . . . . . . 9 LEU C . 53378 1 101 . 1 . 1 9 9 LEU CA C 13 53.65719539 0.02697668947 . . . . . . . 9 LEU CA . 53378 1 102 . 1 . 1 9 9 LEU CB C 13 41.13802763 0.01543707912 . . . . . . . 9 LEU CB . 53378 1 103 . 1 . 1 9 9 LEU CG C 13 26.73703959 . . . . . . . . 9 LEU CG . 53378 1 104 . 1 . 1 9 9 LEU CD1 C 13 22.0440464 0 . . . . . . . 9 LEU CD# . 53378 1 105 . 1 . 1 9 9 LEU CD2 C 13 22.0440464 0 . . . . . . . 9 LEU CD# . 53378 1 106 . 1 . 1 9 9 LEU N N 15 121.6535983 0.03376672116 . . . . . . . 9 LEU N . 53378 1 107 . 1 . 1 10 10 PRO HA H 1 4.452752493 0.001487121019 . . . . . . . 10 PRO HA . 53378 1 108 . 1 . 1 10 10 PRO HB2 H 1 1.775719633 0.004271950799 . . . . . . . 10 PRO HB2 . 53378 1 109 . 1 . 1 10 10 PRO HB3 H 1 2.23378001 0.003074945973 . . . . . . . 10 PRO HB3 . 53378 1 110 . 1 . 1 10 10 PRO HG2 H 1 2.041679937 . . . . . . . . 10 PRO HG2 . 53378 1 111 . 1 . 1 10 10 PRO HG3 H 1 1.75540368 . . . . . . . . 10 PRO HG3 . 53378 1 112 . 1 . 1 10 10 PRO HD2 H 1 3.760245321 . . . . . . . . 10 PRO HD2 . 53378 1 113 . 1 . 1 10 10 PRO HD3 H 1 3.523859192 . . . . . . . . 10 PRO HD3 . 53378 1 114 . 1 . 1 10 10 PRO C C 13 174.677814 0.006824850027 . . . . . . . 10 PRO C . 53378 1 115 . 1 . 1 10 10 PRO CA C 13 62.13457914 0.02803647065 . . . . . . . 10 PRO CA . 53378 1 116 . 1 . 1 10 10 PRO CB C 13 32.28991148 0.02322182725 . . . . . . . 10 PRO CB . 53378 1 117 . 1 . 1 10 10 PRO CG C 13 27.09109156 0.005544891939 . . . . . . . 10 PRO CG . 53378 1 118 . 1 . 1 10 10 PRO CD C 13 49.90592636 0.00176500448 . . . . . . . 10 PRO CD . 53378 1 119 . 1 . 1 11 11 LYS H H 1 7.895019917 0.001639243718 . . . . . . . 11 LYS H . 53378 1 120 . 1 . 1 11 11 LYS HA H 1 3.576452861 0.002565931966 . . . . . . . 11 LYS HA . 53378 1 121 . 1 . 1 11 11 LYS HB2 H 1 0.8998970333 0.4590322703 . . . . . . . 11 LYS HB2 . 53378 1 122 . 1 . 1 11 11 LYS HB3 H 1 0.8776837864 . . . . . . . . 11 LYS HB3 . 53378 1 123 . 1 . 1 11 11 LYS HG2 H 1 0.09315835794 . . . . . . . . 11 LYS HG2 . 53378 1 124 . 1 . 1 11 11 LYS HG3 H 1 -0.5913560011 . . . . . . . . 11 LYS HG3 . 53378 1 125 . 1 . 1 11 11 LYS HD2 H 1 0.9397623791 . . . . . . . . 11 LYS HD2 . 53378 1 126 . 1 . 1 11 11 LYS HD3 H 1 0.7067735062 . . . . . . . . 11 LYS HD3 . 53378 1 127 . 1 . 1 11 11 LYS HE2 H 1 2.425021466 . . . . . . . . 11 LYS HE2 . 53378 1 128 . 1 . 1 11 11 LYS HE3 H 1 2.533659606 . . . . . . . . 11 LYS HE3 . 53378 1 129 . 1 . 1 11 11 LYS C C 13 176.0482298 0.000984337892 . . . . . . . 11 LYS C . 53378 1 130 . 1 . 1 11 11 LYS CA C 13 56.343241 0.02263732711 . . . . . . . 11 LYS CA . 53378 1 131 . 1 . 1 11 11 LYS CB C 13 31.13590054 0.006199201411 . . . . . . . 11 LYS CB . 53378 1 132 . 1 . 1 11 11 LYS CG C 13 22.77929038 0.0644198578 . . . . . . . 11 LYS CG . 53378 1 133 . 1 . 1 11 11 LYS CD C 13 29.02801039 0.002519339647 . . . . . . . 11 LYS CD . 53378 1 134 . 1 . 1 11 11 LYS CE C 13 41.48408559 0.002995735585 . . . . . . . 11 LYS CE . 53378 1 135 . 1 . 1 11 11 LYS N N 15 119.4716062 0.02685593143 . . . . . . . 11 LYS N . 53378 1 136 . 1 . 1 12 12 LEU H H 1 7.738844399 0.00285571658 . . . . . . . 12 LEU H . 53378 1 137 . 1 . 1 12 12 LEU HA H 1 4.675946497 0.003199681573 . . . . . . . 12 LEU HA . 53378 1 138 . 1 . 1 12 12 LEU HB2 H 1 1.359272769 . . . . . . . . 12 LEU HB2 . 53378 1 139 . 1 . 1 12 12 LEU HB3 H 1 1.619557263 0.002046766437 . . . . . . . 12 LEU HB3 . 53378 1 140 . 1 . 1 12 12 LEU HG H 1 1.47910159 . . . . . . . . 12 LEU HG . 53378 1 141 . 1 . 1 12 12 LEU HD21 H 1 0.9095526253 . . . . . . . . 12 LEU HD2# . 53378 1 142 . 1 . 1 12 12 LEU HD22 H 1 0.9095526253 . . . . . . . . 12 LEU HD2# . 53378 1 143 . 1 . 1 12 12 LEU HD23 H 1 0.9095526253 . . . . . . . . 12 LEU HD2# . 53378 1 144 . 1 . 1 12 12 LEU C C 13 175.1855067 0.001388950604 . . . . . . . 12 LEU C . 53378 1 145 . 1 . 1 12 12 LEU CA C 13 53.51023208 0.03127001773 . . . . . . . 12 LEU CA . 53378 1 146 . 1 . 1 12 12 LEU CB C 13 44.14510786 0.02693578562 . . . . . . . 12 LEU CB . 53378 1 147 . 1 . 1 12 12 LEU CG C 13 27.02030373 . . . . . . . . 12 LEU CG . 53378 1 148 . 1 . 1 12 12 LEU CD1 C 13 24.6151104 . . . . . . . . 12 LEU CD# . 53378 1 149 . 1 . 1 12 12 LEU CD2 C 13 24.6151104 . . . . . . . . 12 LEU CD# . 53378 1 150 . 1 . 1 12 12 LEU N N 15 128.6318076 0.02689191468 . . . . . . . 12 LEU N . 53378 1 151 . 1 . 1 13 13 ALA H H 1 8.837518467 0.003075494922 . . . . . . . 13 ALA H . 53378 1 152 . 1 . 1 13 13 ALA HA H 1 4.53460273 0.002771000911 . . . . . . . 13 ALA HA . 53378 1 153 . 1 . 1 13 13 ALA HB1 H 1 1.614742651 0.0007662810794 . . . . . . . 13 ALA HB# . 53378 1 154 . 1 . 1 13 13 ALA HB2 H 1 1.614742651 0.0007662810794 . . . . . . . 13 ALA HB# . 53378 1 155 . 1 . 1 13 13 ALA HB3 H 1 1.614742651 0.0007662810794 . . . . . . . 13 ALA HB# . 53378 1 156 . 1 . 1 13 13 ALA C C 13 175.9281516 0.004615912948 . . . . . . . 13 ALA C . 53378 1 157 . 1 . 1 13 13 ALA CA C 13 54.65078343 0.02909377803 . . . . . . . 13 ALA CA . 53378 1 158 . 1 . 1 13 13 ALA CB C 13 19.38155011 0.01609535243 . . . . . . . 13 ALA CB . 53378 1 159 . 1 . 1 13 13 ALA N N 15 126.961193 0.02067559645 . . . . . . . 13 ALA N . 53378 1 160 . 1 . 1 14 14 GLY H H 1 7.636187988 0.00157005424 . . . . . . . 14 GLY H . 53378 1 161 . 1 . 1 14 14 GLY HA2 H 1 3.746562537 0.000095 . . . . . . . 14 GLY HA2 . 53378 1 162 . 1 . 1 14 14 GLY HA3 H 1 4.441672948 0.0031641986 . . . . . . . 14 GLY HA3 . 53378 1 163 . 1 . 1 14 14 GLY C C 13 172.8870821 0.0002376620688 . . . . . . . 14 GLY C . 53378 1 164 . 1 . 1 14 14 GLY CA C 13 44.14575668 0.01732935127 . . . . . . . 14 GLY CA . 53378 1 165 . 1 . 1 14 14 GLY N N 15 101.6361896 0.02445742671 . . . . . . . 14 GLY N . 53378 1 166 . 1 . 1 15 15 ASP H H 1 7.824608044 0.002747670301 . . . . . . . 15 ASP H . 53378 1 167 . 1 . 1 15 15 ASP HA H 1 4.643266087 0.0008902433076 . . . . . . . 15 ASP HA . 53378 1 168 . 1 . 1 15 15 ASP HB2 H 1 2.656005705 0.003458319717 . . . . . . . 15 ASP HB2 . 53378 1 169 . 1 . 1 15 15 ASP HB3 H 1 2.625149719 0.00368112479 . . . . . . . 15 ASP HB3 . 53378 1 170 . 1 . 1 15 15 ASP C C 13 174.5119508 0.008124777728 . . . . . . . 15 ASP C . 53378 1 171 . 1 . 1 15 15 ASP CA C 13 53.51397574 0.02044665774 . . . . . . . 15 ASP CA . 53378 1 172 . 1 . 1 15 15 ASP CB C 13 42.74038053 0.03940513592 . . . . . . . 15 ASP CB . 53378 1 173 . 1 . 1 15 15 ASP N N 15 119.2623613 0.02972367497 . . . . . . . 15 ASP N . 53378 1 174 . 1 . 1 16 16 GLU H H 1 8.424828864 0.00223137627 . . . . . . . 16 GLU H . 53378 1 175 . 1 . 1 16 16 GLU HA H 1 4.313060262 0.003423824245 . . . . . . . 16 GLU HA . 53378 1 176 . 1 . 1 16 16 GLU HB2 H 1 2.129620756 0.001775481699 . . . . . . . 16 GLU HB2 . 53378 1 177 . 1 . 1 16 16 GLU HB3 H 1 1.915232711 0.0006421531149 . . . . . . . 16 GLU HB3 . 53378 1 178 . 1 . 1 16 16 GLU HG2 H 1 2.209274221 . . . . . . . . 16 GLU HG# . 53378 1 179 . 1 . 1 16 16 GLU HG3 H 1 2.209274221 . . . . . . . . 16 GLU HG# . 53378 1 180 . 1 . 1 16 16 GLU C C 13 177.2961905 0.001900438188 . . . . . . . 16 GLU C . 53378 1 181 . 1 . 1 16 16 GLU CA C 13 57.03581807 0.02996785748 . . . . . . . 16 GLU CA . 53378 1 182 . 1 . 1 16 16 GLU CB C 13 29.71386241 0.01330320005 . . . . . . . 16 GLU CB . 53378 1 183 . 1 . 1 16 16 GLU CG C 13 36.31179826 . . . . . . . . 16 GLU CG . 53378 1 184 . 1 . 1 16 16 GLU N N 15 117.6694685 0.04571846893 . . . . . . . 16 GLU N . 53378 1 185 . 1 . 1 17 17 THR H H 1 8.180280694 0.00177343837 . . . . . . . 17 THR H . 53378 1 186 . 1 . 1 17 17 THR HA H 1 4.159994987 0.0000289 . . . . . . . 17 THR HA . 53378 1 187 . 1 . 1 17 17 THR HB H 1 4.228434191 0.001535633634 . . . . . . . 17 THR HB . 53378 1 188 . 1 . 1 17 17 THR HG21 H 1 1.137031187 . . . . . . . . 17 THR HG2# . 53378 1 189 . 1 . 1 17 17 THR HG22 H 1 1.137031187 . . . . . . . . 17 THR HG2# . 53378 1 190 . 1 . 1 17 17 THR HG23 H 1 1.137031187 . . . . . . . . 17 THR HG2# . 53378 1 191 . 1 . 1 17 17 THR C C 13 173.8952273 0.003253023214 . . . . . . . 17 THR C . 53378 1 192 . 1 . 1 17 17 THR CA C 13 62.85828071 0.01844295757 . . . . . . . 17 THR CA . 53378 1 193 . 1 . 1 17 17 THR CB C 13 69.27526196 0.01064468036 . . . . . . . 17 THR CB . 53378 1 194 . 1 . 1 17 17 THR CG2 C 13 21.6437964 . . . . . . . . 17 THR CG2 . 53378 1 195 . 1 . 1 17 17 THR N N 15 111.1449802 0.02666944376 . . . . . . . 17 THR N . 53378 1 196 . 1 . 1 18 18 CYS H H 1 8.009163377 0.002708383337 . . . . . . . 18 CYS H . 53378 1 197 . 1 . 1 18 18 CYS HA H 1 4.806303896 0.00187848324 . . . . . . . 18 CYS HA . 53378 1 198 . 1 . 1 18 18 CYS HB2 H 1 3.069323763 0.003108525904 . . . . . . . 18 CYS HB2 . 53378 1 199 . 1 . 1 18 18 CYS HB3 H 1 3.121036351 0.003541090437 . . . . . . . 18 CYS HB3 . 53378 1 200 . 1 . 1 18 18 CYS C C 13 173.5007727 0.01093746468 . . . . . . . 18 CYS C . 53378 1 201 . 1 . 1 18 18 CYS CA C 13 55.70704825 0.0241225309 . . . . . . . 18 CYS CA . 53378 1 202 . 1 . 1 18 18 CYS CB C 13 40.01089028 0.03279982321 . . . . . . . 18 CYS CB . 53378 1 203 . 1 . 1 18 18 CYS N N 15 120.7682267 0.02004351316 . . . . . . . 18 CYS N . 53378 1 204 . 1 . 1 19 19 SER H H 1 8.209520622 0.003201928417 . . . . . . . 19 SER H . 53378 1 205 . 1 . 1 19 19 SER HA H 1 4.397941836 0.002245107413 . . . . . . . 19 SER HA . 53378 1 206 . 1 . 1 19 19 SER HB2 H 1 3.824978255 0.003959080049 . . . . . . . 19 SER HB2 . 53378 1 207 . 1 . 1 19 19 SER HB3 H 1 3.914041426 0.004031169015 . . . . . . . 19 SER HB3 . 53378 1 208 . 1 . 1 19 19 SER C C 13 173.488974 0.000240121482 . . . . . . . 19 SER C . 53378 1 209 . 1 . 1 19 19 SER CA C 13 58.77280724 0.01314605134 . . . . . . . 19 SER CA . 53378 1 210 . 1 . 1 19 19 SER CB C 13 63.5336188 0.03006301788 . . . . . . . 19 SER CB . 53378 1 211 . 1 . 1 19 19 SER N N 15 116.4990713 0.03741334151 . . . . . . . 19 SER N . 53378 1 212 . 1 . 1 20 20 ASN H H 1 7.868392482 0.005718734574 . . . . . . . 20 ASN H . 53378 1 213 . 1 . 1 20 20 ASN HA H 1 4.716799874 0.003393302692 . . . . . . . 20 ASN HA . 53378 1 214 . 1 . 1 20 20 ASN HB2 H 1 2.633654079 0.002823475508 . . . . . . . 20 ASN HB2 . 53378 1 215 . 1 . 1 20 20 ASN HB3 H 1 2.907206773 0.002678506724 . . . . . . . 20 ASN HB3 . 53378 1 216 . 1 . 1 20 20 ASN HD21 H 1 7.468725813 . . . . . . . . 20 ASN HD21 . 53378 1 217 . 1 . 1 20 20 ASN HD22 H 1 6.920339202 . . . . . . . . 20 ASN HD22 . 53378 1 218 . 1 . 1 20 20 ASN C C 13 173.734183 0.0009008664231 . . . . . . . 20 ASN C . 53378 1 219 . 1 . 1 20 20 ASN CA C 13 53.01688433 0.02016436842 . . . . . . . 20 ASN CA . 53378 1 220 . 1 . 1 20 20 ASN CB C 13 39.23678398 0.03277216337 . . . . . . . 20 ASN CB . 53378 1 221 . 1 . 1 20 20 ASN N N 15 120.4933942 0.02897924344 . . . . . . . 20 ASN N . 53378 1 222 . 1 . 1 20 20 ASN ND2 N 15 112.5254967 0.0001062223671 . . . . . . . 20 ASN ND2 . 53378 1 223 . 1 . 1 21 21 LYS H H 1 8.073204874 0.002314491159 . . . . . . . 21 LYS H . 53378 1 224 . 1 . 1 21 21 LYS HA H 1 4.358157466 0.003809584129 . . . . . . . 21 LYS HA . 53378 1 225 . 1 . 1 21 21 LYS HB2 H 1 1.715114591 0.003400244822 . . . . . . . 21 LYS HB2 . 53378 1 226 . 1 . 1 21 21 LYS HB3 H 1 1.837940386 0.002892735045 . . . . . . . 21 LYS HB3 . 53378 1 227 . 1 . 1 21 21 LYS HG2 H 1 1.40964076 . . . . . . . . 21 LYS HG# . 53378 1 228 . 1 . 1 21 21 LYS HG3 H 1 1.40964076 . . . . . . . . 21 LYS HG# . 53378 1 229 . 1 . 1 21 21 LYS HD2 H 1 1.666011265 . . . . . . . . 21 LYS HD2 . 53378 1 230 . 1 . 1 21 21 LYS HD3 H 1 1.683828286 . . . . . . . . 21 LYS HD3 . 53378 1 231 . 1 . 1 21 21 LYS HE2 H 1 2.997466019 . . . . . . . . 21 LYS HE# . 53378 1 232 . 1 . 1 21 21 LYS HE3 H 1 2.997466019 . . . . . . . . 21 LYS HE# . 53378 1 233 . 1 . 1 21 21 LYS C C 13 175.0848083 0.001427507425 . . . . . . . 21 LYS C . 53378 1 234 . 1 . 1 21 21 LYS CA C 13 55.82291828 0.06579591352 . . . . . . . 21 LYS CA . 53378 1 235 . 1 . 1 21 21 LYS CB C 13 33.51028716 0.01562021215 . . . . . . . 21 LYS CB . 53378 1 236 . 1 . 1 21 21 LYS CG C 13 24.46845129 . . . . . . . . 21 LYS CG . 53378 1 237 . 1 . 1 21 21 LYS CD C 13 29.12906837 0 . . . . . . . 21 LYS CD . 53378 1 238 . 1 . 1 21 21 LYS CE C 13 42.18919373 . . . . . . . . 21 LYS CE . 53378 1 239 . 1 . 1 21 21 LYS N N 15 119.6893802 0.02545954047 . . . . . . . 21 LYS N . 53378 1 240 . 1 . 1 22 22 THR H H 1 7.828827913 0.002062039253 . . . . . . . 22 THR H . 53378 1 241 . 1 . 1 22 22 THR HA H 1 4.356671166 0.0003122491079 . . . . . . . 22 THR HA . 53378 1 242 . 1 . 1 22 22 THR HB H 1 3.887979905 0.001890018737 . . . . . . . 22 THR HB . 53378 1 243 . 1 . 1 22 22 THR HG21 H 1 1.011630944 . . . . . . . . 22 THR HG2# . 53378 1 244 . 1 . 1 22 22 THR HG22 H 1 1.011630944 . . . . . . . . 22 THR HG2# . 53378 1 245 . 1 . 1 22 22 THR HG23 H 1 1.011630944 . . . . . . . . 22 THR HG2# . 53378 1 246 . 1 . 1 22 22 THR C C 13 173.8326878 0.0001379106711 . . . . . . . 22 THR C . 53378 1 247 . 1 . 1 22 22 THR CA C 13 62.04455745 0.02990155606 . . . . . . . 22 THR CA . 53378 1 248 . 1 . 1 22 22 THR CB C 13 70.0046672 0.01652230165 . . . . . . . 22 THR CB . 53378 1 249 . 1 . 1 22 22 THR CG2 C 13 21.72392082 . . . . . . . . 22 THR CG2 . 53378 1 250 . 1 . 1 22 22 THR N N 15 115.4402192 0.01887439143 . . . . . . . 22 THR N . 53378 1 251 . 1 . 1 23 23 GLU H H 1 8.621805856 0.001764800658 . . . . . . . 23 GLU H . 53378 1 252 . 1 . 1 23 23 GLU HA H 1 4.642464761 0.002999302421 . . . . . . . 23 GLU HA . 53378 1 253 . 1 . 1 23 23 GLU HB2 H 1 1.76334708 0.0009680677819 . . . . . . . 23 GLU HB2 . 53378 1 254 . 1 . 1 23 23 GLU HB3 H 1 2.134774745 0.003855621058 . . . . . . . 23 GLU HB3 . 53378 1 255 . 1 . 1 23 23 GLU HG2 H 1 2.168482712 . . . . . . . . 23 GLU HG2 . 53378 1 256 . 1 . 1 23 23 GLU HG3 H 1 2.282534531 . . . . . . . . 23 GLU HG3 . 53378 1 257 . 1 . 1 23 23 GLU C C 13 173.7822286 0.01383122761 . . . . . . . 23 GLU C . 53378 1 258 . 1 . 1 23 23 GLU CA C 13 54.91449187 0.02733571857 . . . . . . . 23 GLU CA . 53378 1 259 . 1 . 1 23 23 GLU CB C 13 34.92821687 0.03997306747 . . . . . . . 23 GLU CB . 53378 1 260 . 1 . 1 23 23 GLU CG C 13 36.17918205 0.002805709839 . . . . . . . 23 GLU CG . 53378 1 261 . 1 . 1 23 23 GLU N N 15 122.1663946 0.01955870918 . . . . . . . 23 GLU N . 53378 1 262 . 1 . 1 24 24 ILE H H 1 8.24534523 0.003114489032 . . . . . . . 24 ILE H . 53378 1 263 . 1 . 1 24 24 ILE HA H 1 4.161920249 0.001189761294 . . . . . . . 24 ILE HA . 53378 1 264 . 1 . 1 24 24 ILE HB H 1 1.516329067 . . . . . . . . 24 ILE HB . 53378 1 265 . 1 . 1 24 24 ILE HG12 H 1 1.315802668 . . . . . . . . 24 ILE HG12 . 53378 1 266 . 1 . 1 24 24 ILE HG13 H 1 0.8135586952 . . . . . . . . 24 ILE HG13 . 53378 1 267 . 1 . 1 24 24 ILE HG21 H 1 0.602572075 . . . . . . . . 24 ILE HG2# . 53378 1 268 . 1 . 1 24 24 ILE HG22 H 1 0.602572075 . . . . . . . . 24 ILE HG2# . 53378 1 269 . 1 . 1 24 24 ILE HG23 H 1 0.602572075 . . . . . . . . 24 ILE HG2# . 53378 1 270 . 1 . 1 24 24 ILE HD11 H 1 0.6238148128 . . . . . . . . 24 ILE HD1# . 53378 1 271 . 1 . 1 24 24 ILE HD12 H 1 0.6238148128 . . . . . . . . 24 ILE HD1# . 53378 1 272 . 1 . 1 24 24 ILE HD13 H 1 0.6238148128 . . . . . . . . 24 ILE HD1# . 53378 1 273 . 1 . 1 24 24 ILE C C 13 174.5077792 0.003457449662 . . . . . . . 24 ILE C . 53378 1 274 . 1 . 1 24 24 ILE CA C 13 61.1203278 0.02069099032 . . . . . . . 24 ILE CA . 53378 1 275 . 1 . 1 24 24 ILE CB C 13 37.26648199 0.02701249016 . . . . . . . 24 ILE CB . 53378 1 276 . 1 . 1 24 24 ILE CG1 C 13 27.98963839 0.00811715108 . . . . . . . 24 ILE CG1 . 53378 1 277 . 1 . 1 24 24 ILE CG2 C 13 17.40361023 . . . . . . . . 24 ILE CG2 . 53378 1 278 . 1 . 1 24 24 ILE CD1 C 13 12.47935295 . . . . . . . . 24 ILE CD1 . 53378 1 279 . 1 . 1 24 24 ILE N N 15 122.3515944 0.03472893388 . . . . . . . 24 ILE N . 53378 1 280 . 1 . 1 25 25 ARG H H 1 8.120886729 0.002835714581 . . . . . . . 25 ARG H . 53378 1 281 . 1 . 1 25 25 ARG HA H 1 4.55795472 . . . . . . . . 25 ARG HA . 53378 1 282 . 1 . 1 25 25 ARG HB2 H 1 1.64122462 . . . . . . . . 25 ARG HB2 . 53378 1 283 . 1 . 1 25 25 ARG HB3 H 1 0.5675466897 . . . . . . . . 25 ARG HB3 . 53378 1 284 . 1 . 1 25 25 ARG HG2 H 1 1.181323272 . . . . . . . . 25 ARG HG# . 53378 1 285 . 1 . 1 25 25 ARG HG3 H 1 1.181323272 . . . . . . . . 25 ARG HG# . 53378 1 286 . 1 . 1 25 25 ARG HD2 H 1 2.851811341 . . . . . . . . 25 ARG HD2 . 53378 1 287 . 1 . 1 25 25 ARG HD3 H 1 3.473594836 . . . . . . . . 25 ARG HD3 . 53378 1 288 . 1 . 1 25 25 ARG C C 13 172.3587512 0.0197476832 . . . . . . . 25 ARG C . 53378 1 289 . 1 . 1 25 25 ARG CA C 13 52.0868916 0.05635090454 . . . . . . . 25 ARG CA . 53378 1 290 . 1 . 1 25 25 ARG CB C 13 34.60936869 0.01220258203 . . . . . . . 25 ARG CB . 53378 1 291 . 1 . 1 25 25 ARG CG C 13 28.67976577 . . . . . . . . 25 ARG CG . 53378 1 292 . 1 . 1 25 25 ARG CD C 13 42.88873672 0.05139541626 . . . . . . . 25 ARG CD . 53378 1 293 . 1 . 1 25 25 ARG N N 15 127.1915393 0.04495474237 . . . . . . . 25 ARG N . 53378 1 294 . 1 . 1 26 26 TRP H H 1 9.214058985 0.004028525592 . . . . . . . 26 TRP H . 53378 1 295 . 1 . 1 26 26 TRP HA H 1 5.771642561 . . . . . . . . 26 TRP HA . 53378 1 296 . 1 . 1 26 26 TRP HB2 H 1 3.098308188 . . . . . . . . 26 TRP HB2 . 53378 1 297 . 1 . 1 26 26 TRP HB3 H 1 2.924160971 . . . . . . . . 26 TRP HB3 . 53378 1 298 . 1 . 1 26 26 TRP HD1 H 1 6.566157731 0.003360834781 . . . . . . . 26 TRP HD1 . 53378 1 299 . 1 . 1 26 26 TRP HE1 H 1 10.33272307 . . . . . . . . 26 TRP HE1 . 53378 1 300 . 1 . 1 26 26 TRP HE3 H 1 6.700906897 . . . . . . . . 26 TRP HE3 . 53378 1 301 . 1 . 1 26 26 TRP C C 13 174.7446527 . . . . . . . . 26 TRP C . 53378 1 302 . 1 . 1 26 26 TRP CA C 13 58.71836579 0.04069721532 . . . . . . . 26 TRP CA . 53378 1 303 . 1 . 1 26 26 TRP CB C 13 33.80350285 0.04206105956 . . . . . . . 26 TRP CB . 53378 1 304 . 1 . 1 26 26 TRP CD1 C 13 122.7263642 . . . . . . . . 26 TRP CD1 . 53378 1 305 . 1 . 1 26 26 TRP CE3 C 13 122.7263642 . . . . . . . . 26 TRP CE3 . 53378 1 306 . 1 . 1 26 26 TRP N N 15 118.0920222 0.03869982724 . . . . . . . 26 TRP N . 53378 1 307 . 1 . 1 26 26 TRP NE1 N 15 128.9602599 . . . . . . . . 26 TRP NE1 . 53378 1 308 . 1 . 1 27 27 TYR HA H 1 5.251969426 0.003546903264 . . . . . . . 27 TYR HA . 53378 1 309 . 1 . 1 27 27 TYR HB2 H 1 2.84872987 0.01369771382 . . . . . . . 27 TYR HB# . 53378 1 310 . 1 . 1 27 27 TYR HB3 H 1 2.84872987 0.01369771382 . . . . . . . 27 TYR HB# . 53378 1 311 . 1 . 1 27 27 TYR HD1 H 1 6.979877126 . . . . . . . . 27 TYR HD# . 53378 1 312 . 1 . 1 27 27 TYR HD2 H 1 6.979877126 . . . . . . . . 27 TYR HD# . 53378 1 313 . 1 . 1 27 27 TYR HE1 H 1 6.556828438 . . . . . . . . 27 TYR HE# . 53378 1 314 . 1 . 1 27 27 TYR HE2 H 1 6.556828438 . . . . . . . . 27 TYR HE# . 53378 1 315 . 1 . 1 27 27 TYR CA C 13 54.49919338 0.009228430513 . . . . . . . 27 TYR CA . 53378 1 316 . 1 . 1 27 27 TYR CB C 13 41.67372313 0.008554552297 . . . . . . . 27 TYR CB . 53378 1 317 . 1 . 1 27 27 TYR CD1 C 13 131.640251 . . . . . . . . 27 TYR CD . 53378 1 318 . 1 . 1 27 27 TYR CD2 C 13 131.640251 . . . . . . . . 27 TYR CD . 53378 1 319 . 1 . 1 27 27 TYR CE2 C 13 115.166841 . . . . . . . . 27 TYR CE2 . 53378 1 320 . 1 . 1 28 28 TYR H H 1 10.30441254 0.007518213626 . . . . . . . 28 TYR H . 53378 1 321 . 1 . 1 28 28 TYR HA H 1 4.600599475 0.003963354543 . . . . . . . 28 TYR HA . 53378 1 322 . 1 . 1 28 28 TYR HB2 H 1 3.57235507 0.00603921368 . . . . . . . 28 TYR HB2 . 53378 1 323 . 1 . 1 28 28 TYR HB3 H 1 2.853156188 0.004629116775 . . . . . . . 28 TYR HB3 . 53378 1 324 . 1 . 1 28 28 TYR C C 13 175.4329705 . . . . . . . . 28 TYR C . 53378 1 325 . 1 . 1 28 28 TYR CA C 13 58.25079798 0.04891001686 . . . . . . . 28 TYR CA . 53378 1 326 . 1 . 1 28 28 TYR CB C 13 39.32336445 0.04274204695 . . . . . . . 28 TYR CB . 53378 1 327 . 1 . 1 28 28 TYR N N 15 124.5626072 0.03896341859 . . . . . . . 28 TYR N . 53378 1 328 . 1 . 1 29 29 ASN H H 1 7.876391732 0.004197562768 . . . . . . . 29 ASN H . 53378 1 329 . 1 . 1 29 29 ASN HA H 1 4.345023523 0.000520336324 . . . . . . . 29 ASN HA . 53378 1 330 . 1 . 1 29 29 ASN HB2 H 1 3.347849066 0.0006131860791 . . . . . . . 29 ASN HB2 . 53378 1 331 . 1 . 1 29 29 ASN HB3 H 1 2.065269445 0.001529226507 . . . . . . . 29 ASN HB3 . 53378 1 332 . 1 . 1 29 29 ASN HD21 H 1 7.99174919 . . . . . . . . 29 ASN HD21 . 53378 1 333 . 1 . 1 29 29 ASN HD22 H 1 6.844748821 . . . . . . . . 29 ASN HD22 . 53378 1 334 . 1 . 1 29 29 ASN C C 13 174.8825872 . . . . . . . . 29 ASN C . 53378 1 335 . 1 . 1 29 29 ASN CA C 13 52.5530368 0.04264147563 . . . . . . . 29 ASN CA . 53378 1 336 . 1 . 1 29 29 ASN CB C 13 38.67886608 0.0270162266 . . . . . . . 29 ASN CB . 53378 1 337 . 1 . 1 29 29 ASN N N 15 125.3489068 0.03626632818 . . . . . . . 29 ASN N . 53378 1 338 . 1 . 1 29 29 ASN ND2 N 15 112.0630129 0.00456077869 . . . . . . . 29 ASN ND2 . 53378 1 339 . 1 . 1 30 30 GLY H H 1 5.512039402 0.003055026696 . . . . . . . 30 GLY H . 53378 1 340 . 1 . 1 30 30 GLY HA2 H 1 4.516238179 0.001035550493 . . . . . . . 30 GLY HA2 . 53378 1 341 . 1 . 1 30 30 GLY HA3 H 1 3.475641488 0.0003153199338 . . . . . . . 30 GLY HA3 . 53378 1 342 . 1 . 1 30 30 GLY C C 13 172.8073238 . . . . . . . . 30 GLY C . 53378 1 343 . 1 . 1 30 30 GLY CA C 13 45.00847274 0.01837630601 . . . . . . . 30 GLY CA . 53378 1 344 . 1 . 1 30 30 GLY N N 15 108.2785957 0.04563396862 . . . . . . . 30 GLY N . 53378 1 345 . 1 . 1 31 31 THR H H 1 8.166769416 0.002449137609 . . . . . . . 31 THR H . 53378 1 346 . 1 . 1 31 31 THR HA H 1 4.293366985 0.002321004563 . . . . . . . 31 THR HA . 53378 1 347 . 1 . 1 31 31 THR HB H 1 3.935665318 0.001832988078 . . . . . . . 31 THR HB . 53378 1 348 . 1 . 1 31 31 THR HG21 H 1 1.095528296 . . . . . . . . 31 THR HG2# . 53378 1 349 . 1 . 1 31 31 THR HG22 H 1 1.095528296 . . . . . . . . 31 THR HG2# . 53378 1 350 . 1 . 1 31 31 THR HG23 H 1 1.095528296 . . . . . . . . 31 THR HG2# . 53378 1 351 . 1 . 1 31 31 THR C C 13 172.181939 . . . . . . . . 31 THR C . 53378 1 352 . 1 . 1 31 31 THR CA C 13 63.76419488 0.02456527556 . . . . . . . 31 THR CA . 53378 1 353 . 1 . 1 31 31 THR CB C 13 71.21561948 0.02517018838 . . . . . . . 31 THR CB . 53378 1 354 . 1 . 1 31 31 THR CG2 C 13 21.57916451 . . . . . . . . 31 THR CG2 . 53378 1 355 . 1 . 1 31 31 THR N N 15 114.0529419 0.0296443831 . . . . . . . 31 THR N . 53378 1 356 . 1 . 1 32 32 ALA H H 1 8.156246047 0.003127273375 . . . . . . . 32 ALA H . 53378 1 357 . 1 . 1 32 32 ALA HA H 1 4.540219707 0.002545483058 . . . . . . . 32 ALA HA . 53378 1 358 . 1 . 1 32 32 ALA HB1 H 1 1.282800125 0.00000446 . . . . . . . 32 ALA HB# . 53378 1 359 . 1 . 1 32 32 ALA HB2 H 1 1.282800125 0.00000446 . . . . . . . 32 ALA HB# . 53378 1 360 . 1 . 1 32 32 ALA HB3 H 1 1.282800125 0.00000446 . . . . . . . 32 ALA HB# . 53378 1 361 . 1 . 1 32 32 ALA C C 13 175.4838478 0.06801239387 . . . . . . . 32 ALA C . 53378 1 362 . 1 . 1 32 32 ALA CA C 13 51.43430021 0.03117884321 . . . . . . . 32 ALA CA . 53378 1 363 . 1 . 1 32 32 ALA CB C 13 22.66274549 0.02071262762 . . . . . . . 32 ALA CB . 53378 1 364 . 1 . 1 32 32 ALA N N 15 124.4126874 0.03552504963 . . . . . . . 32 ALA N . 53378 1 365 . 1 . 1 33 33 CYS H H 1 9.375678885 0.002312149865 . . . . . . . 33 CYS H . 53378 1 366 . 1 . 1 33 33 CYS HA H 1 5.162118594 0.000074 . . . . . . . 33 CYS HA . 53378 1 367 . 1 . 1 33 33 CYS HB2 H 1 3.332599864 0.0001608725939 . . . . . . . 33 CYS HB2 . 53378 1 368 . 1 . 1 33 33 CYS HB3 H 1 2.50573059 0.006714249461 . . . . . . . 33 CYS HB3 . 53378 1 369 . 1 . 1 33 33 CYS CA C 13 58.88154616 0.02089831238 . . . . . . . 33 CYS CA . 53378 1 370 . 1 . 1 33 33 CYS CB C 13 47.08521783 0.04413816158 . . . . . . . 33 CYS CB . 53378 1 371 . 1 . 1 33 33 CYS N N 15 119.5351684 0.03277148849 . . . . . . . 33 CYS N . 53378 1 372 . 1 . 1 34 34 GLU H H 1 9.645456177 0.002945060118 . . . . . . . 34 GLU H . 53378 1 373 . 1 . 1 34 34 GLU HA H 1 4.367756299 . . . . . . . . 34 GLU HA . 53378 1 374 . 1 . 1 34 34 GLU HB2 H 1 1.823498546 0.00913060468 . . . . . . . 34 GLU HB# . 53378 1 375 . 1 . 1 34 34 GLU HB3 H 1 1.823498546 0.00913060468 . . . . . . . 34 GLU HB# . 53378 1 376 . 1 . 1 34 34 GLU HG2 H 1 2.431041411 . . . . . . . . 34 GLU HG2 . 53378 1 377 . 1 . 1 34 34 GLU HG3 H 1 2.379150084 . . . . . . . . 34 GLU HG3 . 53378 1 378 . 1 . 1 34 34 GLU C C 13 173.2916532 . . . . . . . . 34 GLU C . 53378 1 379 . 1 . 1 34 34 GLU CA C 13 55.27700627 0.05872988639 . . . . . . . 34 GLU CA . 53378 1 380 . 1 . 1 34 34 GLU CB C 13 33.9798717 0.0428485383 . . . . . . . 34 GLU CB . 53378 1 381 . 1 . 1 34 34 GLU CG C 13 36.41562843 0.004106521606 . . . . . . . 34 GLU CG . 53378 1 382 . 1 . 1 34 34 GLU N N 15 128.0083359 0.04350917563 . . . . . . . 34 GLU N . 53378 1 383 . 1 . 1 35 35 ALA H H 1 8.528634463 0.002915072042 . . . . . . . 35 ALA H . 53378 1 384 . 1 . 1 35 35 ALA HA H 1 4.357910074 . . . . . . . . 35 ALA HA . 53378 1 385 . 1 . 1 35 35 ALA HB1 H 1 0.9514570264 . . . . . . . . 35 ALA HB# . 53378 1 386 . 1 . 1 35 35 ALA HB2 H 1 0.9514570264 . . . . . . . . 35 ALA HB# . 53378 1 387 . 1 . 1 35 35 ALA HB3 H 1 0.9514570264 . . . . . . . . 35 ALA HB# . 53378 1 388 . 1 . 1 35 35 ALA C C 13 177.3649406 0.0006142314142 . . . . . . . 35 ALA C . 53378 1 389 . 1 . 1 35 35 ALA CA C 13 51.40096033 0.04103267392 . . . . . . . 35 ALA CA . 53378 1 390 . 1 . 1 35 35 ALA CB C 13 19.07896468 0.01430290945 . . . . . . . 35 ALA CB . 53378 1 391 . 1 . 1 35 35 ALA N N 15 128.6531806 0.03534524925 . . . . . . . 35 ALA N . 53378 1 392 . 1 . 1 36 36 PHE H H 1 9.66727096 0.001786141849 . . . . . . . 36 PHE H . 53378 1 393 . 1 . 1 36 36 PHE HA H 1 4.795534552 0.003621111766 . . . . . . . 36 PHE HA . 53378 1 394 . 1 . 1 36 36 PHE HB2 H 1 2.893476657 . . . . . . . . 36 PHE HB2 . 53378 1 395 . 1 . 1 36 36 PHE HB3 H 1 3.044661692 . . . . . . . . 36 PHE HB3 . 53378 1 396 . 1 . 1 36 36 PHE HD2 H 1 7.04743664 . . . . . . . . 36 PHE HD2 . 53378 1 397 . 1 . 1 36 36 PHE CA C 13 55.4794617 0.04625710375 . . . . . . . 36 PHE CA . 53378 1 398 . 1 . 1 36 36 PHE CB C 13 42.19278536 0.0255727235 . . . . . . . 36 PHE CB . 53378 1 399 . 1 . 1 36 36 PHE CD2 C 13 130.1505016 . . . . . . . . 36 PHE CD2 . 53378 1 400 . 1 . 1 36 36 PHE N N 15 120.9877562 0.0000030 . . . . . . . 36 PHE N . 53378 1 401 . 1 . 1 37 37 ILE H H 1 8.157034912 0.002407122016 . . . . . . . 37 ILE H . 53378 1 402 . 1 . 1 37 37 ILE HA H 1 3.878839593 0.002969385868 . . . . . . . 37 ILE HA . 53378 1 403 . 1 . 1 37 37 ILE HB H 1 1.734842641 0.003807289963 . . . . . . . 37 ILE HB . 53378 1 404 . 1 . 1 37 37 ILE HG12 H 1 0.9122792371 . . . . . . . . 37 ILE HG12 . 53378 1 405 . 1 . 1 37 37 ILE HG13 H 1 1.435299328 . . . . . . . . 37 ILE HG13 . 53378 1 406 . 1 . 1 37 37 ILE HG21 H 1 0.5866834286 . . . . . . . . 37 ILE HG2# . 53378 1 407 . 1 . 1 37 37 ILE HG22 H 1 0.5866834286 . . . . . . . . 37 ILE HG2# . 53378 1 408 . 1 . 1 37 37 ILE HG23 H 1 0.5866834286 . . . . . . . . 37 ILE HG2# . 53378 1 409 . 1 . 1 37 37 ILE HD11 H 1 0.6552909181 . . . . . . . . 37 ILE HD1# . 53378 1 410 . 1 . 1 37 37 ILE HD12 H 1 0.6552909181 . . . . . . . . 37 ILE HD1# . 53378 1 411 . 1 . 1 37 37 ILE HD13 H 1 0.6552909181 . . . . . . . . 37 ILE HD1# . 53378 1 412 . 1 . 1 37 37 ILE C C 13 173.759534 . . . . . . . . 37 ILE C . 53378 1 413 . 1 . 1 37 37 ILE CA C 13 60.86123085 0.02963344588 . . . . . . . 37 ILE CA . 53378 1 414 . 1 . 1 37 37 ILE CB C 13 36.78253347 0.03901117495 . . . . . . . 37 ILE CB . 53378 1 415 . 1 . 1 37 37 ILE CG1 C 13 27.32025961 0.01824811635 . . . . . . . 37 ILE CG1 . 53378 1 416 . 1 . 1 37 37 ILE CG2 C 13 17.67960657 . . . . . . . . 37 ILE CG2 . 53378 1 417 . 1 . 1 37 37 ILE CD1 C 13 12.14782187 . . . . . . . . 37 ILE CD1 . 53378 1 418 . 1 . 1 37 37 ILE N N 15 119.1873109 0.09317050967 . . . . . . . 37 ILE N . 53378 1 419 . 1 . 1 38 38 PHE H H 1 8.697389125 0.003579181397 . . . . . . . 38 PHE H . 53378 1 420 . 1 . 1 38 38 PHE HA H 1 5.066630776 0.001046347241 . . . . . . . 38 PHE HA . 53378 1 421 . 1 . 1 38 38 PHE HB2 H 1 2.686070225 0.002785624763 . . . . . . . 38 PHE HB2 . 53378 1 422 . 1 . 1 38 38 PHE HB3 H 1 2.27907426 0.003132189141 . . . . . . . 38 PHE HB3 . 53378 1 423 . 1 . 1 38 38 PHE HD1 H 1 7.276 . . . . . . . . 38 PHE HD# . 53378 1 424 . 1 . 1 38 38 PHE HD2 H 1 7.276 . . . . . . . . 38 PHE HD# . 53378 1 425 . 1 . 1 38 38 PHE C C 13 174.784988 . . . . . . . . 38 PHE C . 53378 1 426 . 1 . 1 38 38 PHE CA C 13 54.48487622 0.01831165947 . . . . . . . 38 PHE CA . 53378 1 427 . 1 . 1 38 38 PHE CB C 13 41.43073673 0.03284502513 . . . . . . . 38 PHE CB . 53378 1 428 . 1 . 1 38 38 PHE CD1 C 13 132.116 . . . . . . . . 38 PHE CD1 . 53378 1 429 . 1 . 1 38 38 PHE CD2 C 13 132.116 . . . . . . . . 38 PHE CD2 . 53378 1 430 . 1 . 1 38 38 PHE N N 15 130.1307994 0.03785520891 . . . . . . . 38 PHE N . 53378 1 431 . 1 . 1 39 39 LYS H H 1 8.760227941 0.002690977041 . . . . . . . 39 LYS H . 53378 1 432 . 1 . 1 39 39 LYS HA H 1 3.93877573 . . . . . . . . 39 LYS HA . 53378 1 433 . 1 . 1 39 39 LYS HB2 H 1 1.393006755 . . . . . . . . 39 LYS HB2 . 53378 1 434 . 1 . 1 39 39 LYS HB3 H 1 1.648737831 . . . . . . . . 39 LYS HB3 . 53378 1 435 . 1 . 1 39 39 LYS HG2 H 1 1.264412558 . . . . . . . . 39 LYS HG2 . 53378 1 436 . 1 . 1 39 39 LYS HG3 H 1 1.188303363 . . . . . . . . 39 LYS HG3 . 53378 1 437 . 1 . 1 39 39 LYS HD2 H 1 1.453889655 . . . . . . . . 39 LYS HD2 . 53378 1 438 . 1 . 1 39 39 LYS HD3 H 1 1.386530208 . . . . . . . . 39 LYS HD3 . 53378 1 439 . 1 . 1 39 39 LYS HE2 H 1 2.831437281 . . . . . . . . 39 LYS HE# . 53378 1 440 . 1 . 1 39 39 LYS HE3 H 1 2.831437281 . . . . . . . . 39 LYS HE# . 53378 1 441 . 1 . 1 39 39 LYS C C 13 175.0179674 . . . . . . . . 39 LYS C . 53378 1 442 . 1 . 1 39 39 LYS CA C 13 57.40612569 0.01059954022 . . . . . . . 39 LYS CA . 53378 1 443 . 1 . 1 39 39 LYS CB C 13 32.57190828 0.03483165205 . . . . . . . 39 LYS CB . 53378 1 444 . 1 . 1 39 39 LYS CG C 13 25.69813898 0.00644848279 . . . . . . . 39 LYS CG . 53378 1 445 . 1 . 1 39 39 LYS CD C 13 28.73222964 0.01020340822 . . . . . . . 39 LYS CD . 53378 1 446 . 1 . 1 39 39 LYS CE C 13 42.13108444 . . . . . . . . 39 LYS CE . 53378 1 447 . 1 . 1 39 39 LYS N N 15 125.3169423 0.02913069967 . . . . . . . 39 LYS N . 53378 1 448 . 1 . 1 40 40 GLY HA2 H 1 4.095382345 0.004177953089 . . . . . . . 40 GLY HA2 . 53378 1 449 . 1 . 1 40 40 GLY HA3 H 1 2.97339 0.001566617656 . . . . . . . 40 GLY HA3 . 53378 1 450 . 1 . 1 40 40 GLY C C 13 172.8168632 0.0592768847 . . . . . . . 40 GLY C . 53378 1 451 . 1 . 1 40 40 GLY CA C 13 45.78958184 0.03269069688 . . . . . . . 40 GLY CA . 53378 1 452 . 1 . 1 41 41 CYS H H 1 7.109898091 0.002811017508 . . . . . . . 41 CYS H . 53378 1 453 . 1 . 1 41 41 CYS HA H 1 4.904917661 0.0003454290652 . . . . . . . 41 CYS HA . 53378 1 454 . 1 . 1 41 41 CYS HB2 H 1 3.221472228 0.002765690882 . . . . . . . 41 CYS HB2 . 53378 1 455 . 1 . 1 41 41 CYS HB3 H 1 3.054441808 0.002867323647 . . . . . . . 41 CYS HB3 . 53378 1 456 . 1 . 1 41 41 CYS C C 13 172.8997177 0.0001048347937 . . . . . . . 41 CYS C . 53378 1 457 . 1 . 1 41 41 CYS CA C 13 54.88456989 0.04442575727 . . . . . . . 41 CYS CA . 53378 1 458 . 1 . 1 41 41 CYS CB C 13 42.07847039 0.02289663336 . . . . . . . 41 CYS CB . 53378 1 459 . 1 . 1 41 41 CYS N N 15 117.7722736 0.04607069939 . . . . . . . 41 CYS N . 53378 1 460 . 1 . 1 42 42 GLY H H 1 8.806137094 0.001932866222 . . . . . . . 42 GLY H . 53378 1 461 . 1 . 1 42 42 GLY HA2 H 1 4.015656976 0.001459858733 . . . . . . . 42 GLY HA2 . 53378 1 462 . 1 . 1 42 42 GLY HA3 H 1 3.828932157 0.0003947417446 . . . . . . . 42 GLY HA3 . 53378 1 463 . 1 . 1 42 42 GLY C C 13 174.5184457 . . . . . . . . 42 GLY C . 53378 1 464 . 1 . 1 42 42 GLY CA C 13 46.51936082 0.02009333615 . . . . . . . 42 GLY CA . 53378 1 465 . 1 . 1 42 42 GLY N N 15 110.2114811 0.02739846863 . . . . . . . 42 GLY N . 53378 1 466 . 1 . 1 43 43 GLY H H 1 8.624969399 0.001790766348 . . . . . . . 43 GLY H . 53378 1 467 . 1 . 1 43 43 GLY HA2 H 1 4.038047462 0.003145130501 . . . . . . . 43 GLY HA2 . 53378 1 468 . 1 . 1 43 43 GLY HA3 H 1 4.020729625 0.003335304986 . . . . . . . 43 GLY HA3 . 53378 1 469 . 1 . 1 43 43 GLY C C 13 172.7309759 . . . . . . . . 43 GLY C . 53378 1 470 . 1 . 1 43 43 GLY CA C 13 44.34757518 0.01807499352 . . . . . . . 43 GLY CA . 53378 1 471 . 1 . 1 43 43 GLY N N 15 107.2804686 0.03548870775 . . . . . . . 43 GLY N . 53378 1 472 . 1 . 1 44 44 ASN H H 1 8.56898188 0.002978053202 . . . . . . . 44 ASN H . 53378 1 473 . 1 . 1 44 44 ASN HA H 1 4.846652417 0.003322816705 . . . . . . . 44 ASN HA . 53378 1 474 . 1 . 1 44 44 ASN HB2 H 1 3.296746721 0.0003953529944 . . . . . . . 44 ASN HB2 . 53378 1 475 . 1 . 1 44 44 ASN HB3 H 1 2.769974821 0.004557194447 . . . . . . . 44 ASN HB3 . 53378 1 476 . 1 . 1 44 44 ASN C C 13 175.0818596 . . . . . . . . 44 ASN C . 53378 1 477 . 1 . 1 44 44 ASN CA C 13 51.30275273 0.02569539506 . . . . . . . 44 ASN CA . 53378 1 478 . 1 . 1 44 44 ASN CB C 13 40.0361843 0.01244729432 . . . . . . . 44 ASN CB . 53378 1 479 . 1 . 1 44 44 ASN N N 15 117.7432827 0.02511338342 . . . . . . . 44 ASN N . 53378 1 480 . 1 . 1 45 45 ASP H H 1 7.569003627 0.002354432688 . . . . . . . 45 ASP H . 53378 1 481 . 1 . 1 45 45 ASP HA H 1 4.428444709 0.002803364008 . . . . . . . 45 ASP HA . 53378 1 482 . 1 . 1 45 45 ASP HB2 H 1 2.756902384 0.002617697887 . . . . . . . 45 ASP HB2 . 53378 1 483 . 1 . 1 45 45 ASP HB3 H 1 2.198159595 0.00230522975 . . . . . . . 45 ASP HB3 . 53378 1 484 . 1 . 1 45 45 ASP C C 13 176.1097087 . . . . . . . . 45 ASP C . 53378 1 485 . 1 . 1 45 45 ASP CA C 13 56.06338663 0.01788257521 . . . . . . . 45 ASP CA . 53378 1 486 . 1 . 1 45 45 ASP CB C 13 41.75322435 0.05952398106 . . . . . . . 45 ASP CB . 53378 1 487 . 1 . 1 45 45 ASP N N 15 111.988028 0.04250336451 . . . . . . . 45 ASP N . 53378 1 488 . 1 . 1 46 46 ASN H H 1 7.736964789 0.003164161991 . . . . . . . 46 ASN H . 53378 1 489 . 1 . 1 46 46 ASN HA H 1 4.607456139 . . . . . . . . 46 ASN HA . 53378 1 490 . 1 . 1 46 46 ASN HB2 H 1 2.825679449 0.00175189366 . . . . . . . 46 ASN HB2 . 53378 1 491 . 1 . 1 46 46 ASN HB3 H 1 3.221835195 . . . . . . . . 46 ASN HB3 . 53378 1 492 . 1 . 1 46 46 ASN HD21 H 1 7.804114866 . . . . . . . . 46 ASN HD21 . 53378 1 493 . 1 . 1 46 46 ASN HD22 H 1 7.500154018 . . . . . . . . 46 ASN HD22 . 53378 1 494 . 1 . 1 46 46 ASN C C 13 173.2824673 0.0001723698724 . . . . . . . 46 ASN C . 53378 1 495 . 1 . 1 46 46 ASN CA C 13 50.76383211 0.02090835901 . . . . . . . 46 ASN CA . 53378 1 496 . 1 . 1 46 46 ASN CB C 13 35.52861297 0.04334730184 . . . . . . . 46 ASN CB . 53378 1 497 . 1 . 1 46 46 ASN N N 15 120.9702488 0.03443145982 . . . . . . . 46 ASN N . 53378 1 498 . 1 . 1 46 46 ASN ND2 N 15 107.9727082 0.0009446219926 . . . . . . . 46 ASN ND2 . 53378 1 499 . 1 . 1 47 47 ASN H H 1 6.366562569 0.007295572165 . . . . . . . 47 ASN H . 53378 1 500 . 1 . 1 47 47 ASN HA H 1 4.740100793 . . . . . . . . 47 ASN HA . 53378 1 501 . 1 . 1 47 47 ASN HB2 H 1 2.502885287 . . . . . . . . 47 ASN HB2 . 53378 1 502 . 1 . 1 47 47 ASN HB3 H 1 2.65062591 0.0006389277658 . . . . . . . 47 ASN HB3 . 53378 1 503 . 1 . 1 47 47 ASN HD21 H 1 7.511217328 0.0007012172266 . . . . . . . 47 ASN HD21 . 53378 1 504 . 1 . 1 47 47 ASN HD22 H 1 6.881905079 . . . . . . . . 47 ASN HD22 . 53378 1 505 . 1 . 1 47 47 ASN C C 13 173.412209 0.000987242252 . . . . . . . 47 ASN C . 53378 1 506 . 1 . 1 47 47 ASN CA C 13 53.83691678 0.1430345026 . . . . . . . 47 ASN CA . 53378 1 507 . 1 . 1 47 47 ASN CB C 13 38.42362365 0.0275413906 . . . . . . . 47 ASN CB . 53378 1 508 . 1 . 1 47 47 ASN N N 15 117.7685117 0.04132219757 . . . . . . . 47 ASN N . 53378 1 509 . 1 . 1 47 47 ASN ND2 N 15 112.4755444 0.00453186577 . . . . . . . 47 ASN ND2 . 53378 1 510 . 1 . 1 48 48 PHE H H 1 9.860364102 0.01177644637 . . . . . . . 48 PHE H . 53378 1 511 . 1 . 1 48 48 PHE HA H 1 4.98144612 0.003491889512 . . . . . . . 48 PHE HA . 53378 1 512 . 1 . 1 48 48 PHE HB2 H 1 2.803285531 . . . . . . . . 48 PHE HB2 . 53378 1 513 . 1 . 1 48 48 PHE HB3 H 1 3.450637034 . . . . . . . . 48 PHE HB3 . 53378 1 514 . 1 . 1 48 48 PHE HD1 H 1 7.369137792 . . . . . . . . 48 PHE HD# . 53378 1 515 . 1 . 1 48 48 PHE HD2 H 1 7.369137792 . . . . . . . . 48 PHE HD# . 53378 1 516 . 1 . 1 48 48 PHE HE2 H 1 7.558737291 . . . . . . . . 48 PHE HE2 . 53378 1 517 . 1 . 1 48 48 PHE C C 13 175.5497648 0.01779330567 . . . . . . . 48 PHE C . 53378 1 518 . 1 . 1 48 48 PHE CA C 13 56.32733151 0.1485246392 . . . . . . . 48 PHE CA . 53378 1 519 . 1 . 1 48 48 PHE CB C 13 42.25191706 0.06102062547 . . . . . . . 48 PHE CB . 53378 1 520 . 1 . 1 48 48 PHE CD2 C 13 130.2410644 . . . . . . . . 48 PHE CD2 . 53378 1 521 . 1 . 1 48 48 PHE CE2 C 13 129.0656668 . . . . . . . . 48 PHE CE2 . 53378 1 522 . 1 . 1 48 48 PHE N N 15 124.1303343 0.01325307737 . . . . . . . 48 PHE N . 53378 1 523 . 1 . 1 49 49 ASP H H 1 9.100121438 0.003691540153 . . . . . . . 49 ASP H . 53378 1 524 . 1 . 1 49 49 ASP HA H 1 4.793162278 . . . . . . . . 49 ASP HA . 53378 1 525 . 1 . 1 49 49 ASP HB2 H 1 2.620459489 . . . . . . . . 49 ASP HB2 . 53378 1 526 . 1 . 1 49 49 ASP HB3 H 1 2.661266497 . . . . . . . . 49 ASP HB3 . 53378 1 527 . 1 . 1 49 49 ASP C C 13 174.6387241 0.007456039031 . . . . . . . 49 ASP C . 53378 1 528 . 1 . 1 49 49 ASP CA C 13 55.07290825 0.02888980653 . . . . . . . 49 ASP CA . 53378 1 529 . 1 . 1 49 49 ASP CB C 13 40.6974519 0.07683983675 . . . . . . . 49 ASP CB . 53378 1 530 . 1 . 1 49 49 ASP N N 15 121.8204078 0.03622564533 . . . . . . . 49 ASP N . 53378 1 531 . 1 . 1 50 50 ARG H H 1 7.613573251 0.00293836359 . . . . . . . 50 ARG H . 53378 1 532 . 1 . 1 50 50 ARG HA H 1 4.419065837 0.006863705326 . . . . . . . 50 ARG HA . 53378 1 533 . 1 . 1 50 50 ARG HB2 H 1 1.867276958 . . . . . . . . 50 ARG HB2 . 53378 1 534 . 1 . 1 50 50 ARG HB3 H 1 1.702772549 . . . . . . . . 50 ARG HB3 . 53378 1 535 . 1 . 1 50 50 ARG HG2 H 1 1.654924921 . . . . . . . . 50 ARG HG2 . 53378 1 536 . 1 . 1 50 50 ARG HG3 H 1 1.54838133 . . . . . . . . 50 ARG HG3 . 53378 1 537 . 1 . 1 50 50 ARG HD2 H 1 3.20567005 . . . . . . . . 50 ARG HD# . 53378 1 538 . 1 . 1 50 50 ARG HD3 H 1 3.20567005 . . . . . . . . 50 ARG HD# . 53378 1 539 . 1 . 1 50 50 ARG C C 13 176.2781481 0.01550390492 . . . . . . . 50 ARG C . 53378 1 540 . 1 . 1 50 50 ARG CA C 13 54.40935447 0.0474634648 . . . . . . . 50 ARG CA . 53378 1 541 . 1 . 1 50 50 ARG CB C 13 33.38177106 0.0137448695 . . . . . . . 50 ARG CB . 53378 1 542 . 1 . 1 50 50 ARG CG C 13 26.75374846 0.008347942078 . . . . . . . 50 ARG CG . 53378 1 543 . 1 . 1 50 50 ARG CD C 13 43.46983337 . . . . . . . . 50 ARG CD . 53378 1 544 . 1 . 1 50 50 ARG N N 15 115.2568539 0.03980368419 . . . . . . . 50 ARG N . 53378 1 545 . 1 . 1 51 51 VAL H H 1 7.622814801 0.005321705797 . . . . . . . 51 VAL H . 53378 1 546 . 1 . 1 51 51 VAL HA H 1 2.846261438 . . . . . . . . 51 VAL HA . 53378 1 547 . 1 . 1 51 51 VAL HB H 1 -0.4699725466 . . . . . . . . 51 VAL HB . 53378 1 548 . 1 . 1 51 51 VAL HG11 H 1 0.3835766391 . . . . . . . . 51 VAL HG1# . 53378 1 549 . 1 . 1 51 51 VAL HG12 H 1 0.3835766391 . . . . . . . . 51 VAL HG1# . 53378 1 550 . 1 . 1 51 51 VAL HG13 H 1 0.3835766391 . . . . . . . . 51 VAL HG1# . 53378 1 551 . 1 . 1 51 51 VAL HG21 H 1 0.4185946713 . . . . . . . . 51 VAL HG2# . 53378 1 552 . 1 . 1 51 51 VAL HG22 H 1 0.4185946713 . . . . . . . . 51 VAL HG2# . 53378 1 553 . 1 . 1 51 51 VAL HG23 H 1 0.4185946713 . . . . . . . . 51 VAL HG2# . 53378 1 554 . 1 . 1 51 51 VAL C C 13 175.7248969 0.007438315359 . . . . . . . 51 VAL C . 53378 1 555 . 1 . 1 51 51 VAL CA C 13 64.99781284 0.03465424651 . . . . . . . 51 VAL CA . 53378 1 556 . 1 . 1 51 51 VAL CB C 13 29.61111105 0.1351894974 . . . . . . . 51 VAL CB . 53378 1 557 . 1 . 1 51 51 VAL CG1 C 13 18.35791788 . . . . . . . . 51 VAL CG1 . 53378 1 558 . 1 . 1 51 51 VAL CG2 C 13 22.38334729 . . . . . . . . 51 VAL CG2 . 53378 1 559 . 1 . 1 51 51 VAL N N 15 125.9766454 0.02601231262 . . . . . . . 51 VAL N . 53378 1 560 . 1 . 1 52 52 ASP H H 1 8.417296021 0.005496724887 . . . . . . . 52 ASP H . 53378 1 561 . 1 . 1 52 52 ASP HA H 1 4.17259556 0.001109205864 . . . . . . . 52 ASP HA . 53378 1 562 . 1 . 1 52 52 ASP HB2 H 1 2.481736809 0.0001024782703 . . . . . . . 52 ASP HB2 . 53378 1 563 . 1 . 1 52 52 ASP HB3 H 1 2.29344708 0.0009565464 . . . . . . . 52 ASP HB3 . 53378 1 564 . 1 . 1 52 52 ASP C C 13 177.5415116 . . . . . . . . 52 ASP C . 53378 1 565 . 1 . 1 52 52 ASP CA C 13 55.91108368 0.02537703365 . . . . . . . 52 ASP CA . 53378 1 566 . 1 . 1 52 52 ASP CB C 13 39.60500457 0.03049521199 . . . . . . . 52 ASP CB . 53378 1 567 . 1 . 1 52 52 ASP N N 15 118.1171459 0.03968343335 . . . . . . . 52 ASP N . 53378 1 568 . 1 . 1 53 53 ASP H H 1 6.761824918 0.002198999784 . . . . . . . 53 ASP H . 53378 1 569 . 1 . 1 53 53 ASP HA H 1 4.310804603 0.002478964373 . . . . . . . 53 ASP HA . 53378 1 570 . 1 . 1 53 53 ASP HB2 H 1 2.869607862 0.005547166661 . . . . . . . 53 ASP HB# . 53378 1 571 . 1 . 1 53 53 ASP HB3 H 1 2.869607862 0.005547166661 . . . . . . . 53 ASP HB# . 53378 1 572 . 1 . 1 53 53 ASP C C 13 176.480977 . . . . . . . . 53 ASP C . 53378 1 573 . 1 . 1 53 53 ASP CA C 13 57.018664 0.01808011113 . . . . . . . 53 ASP CA . 53378 1 574 . 1 . 1 53 53 ASP CB C 13 40.87330104 0.005709730903 . . . . . . . 53 ASP CB . 53378 1 575 . 1 . 1 53 53 ASP N N 15 117.6335487 0.02631658209 . . . . . . . 53 ASP N . 53378 1 576 . 1 . 1 54 54 CYS H H 1 6.415313483 0.002857993071 . . . . . . . 54 CYS H . 53378 1 577 . 1 . 1 54 54 CYS HA H 1 2.223452314 . . . . . . . . 54 CYS HA . 53378 1 578 . 1 . 1 54 54 CYS HB2 H 1 3.016741923 . . . . . . . . 54 CYS HB2 . 53378 1 579 . 1 . 1 54 54 CYS HB3 H 1 2.497447899 . . . . . . . . 54 CYS HB3 . 53378 1 580 . 1 . 1 54 54 CYS C C 13 175.1489417 . . . . . . . . 54 CYS C . 53378 1 581 . 1 . 1 54 54 CYS CA C 13 58.88886505 0.02528601364 . . . . . . . 54 CYS CA . 53378 1 582 . 1 . 1 54 54 CYS CB C 13 41.83591199 0.02204441789 . . . . . . . 54 CYS CB . 53378 1 583 . 1 . 1 54 54 CYS N N 15 118.8701113 0.02114221991 . . . . . . . 54 CYS N . 53378 1 584 . 1 . 1 55 55 GLN H H 1 8.438040896 0.001689097625 . . . . . . . 55 GLN H . 53378 1 585 . 1 . 1 55 55 GLN HA H 1 3.477212007 0.0005080727611 . . . . . . . 55 GLN HA . 53378 1 586 . 1 . 1 55 55 GLN HB2 H 1 1.804377899 0.005933696425 . . . . . . . 55 GLN HB2 . 53378 1 587 . 1 . 1 55 55 GLN HB3 H 1 1.958126162 0.003627519259 . . . . . . . 55 GLN HB3 . 53378 1 588 . 1 . 1 55 55 GLN HG2 H 1 2.211215156 0.007806255331 . . . . . . . 55 GLN HG2 . 53378 1 589 . 1 . 1 55 55 GLN HG3 H 1 2.295772961 . . . . . . . . 55 GLN HG3 . 53378 1 590 . 1 . 1 55 55 GLN HE21 H 1 6.464803382 0.01401925652 . . . . . . . 55 GLN HE21 . 53378 1 591 . 1 . 1 55 55 GLN HE22 H 1 7.474726229 0.003514887717 . . . . . . . 55 GLN HE22 . 53378 1 592 . 1 . 1 55 55 GLN C C 13 177.8292654 . . . . . . . . 55 GLN C . 53378 1 593 . 1 . 1 55 55 GLN CA C 13 59.31102686 0.03547000877 . . . . . . . 55 GLN CA . 53378 1 594 . 1 . 1 55 55 GLN CB C 13 28.4982874 0.01707476942 . . . . . . . 55 GLN CB . 53378 1 595 . 1 . 1 55 55 GLN CG C 13 34.27789307 0 . . . . . . . 55 GLN CG . 53378 1 596 . 1 . 1 55 55 GLN N N 15 120.2776733 0.03475942582 . . . . . . . 55 GLN N . 53378 1 597 . 1 . 1 55 55 GLN NE2 N 15 111.3315531 0.0167003138 . . . . . . . 55 GLN NE2 . 53378 1 598 . 1 . 1 56 56 ARG H H 1 7.851485874 0.003184155362 . . . . . . . 56 ARG H . 53378 1 599 . 1 . 1 56 56 ARG HA H 1 3.843441823 0.00103163695 . . . . . . . 56 ARG HA . 53378 1 600 . 1 . 1 56 56 ARG HB2 H 1 1.703696668 0.003823653167 . . . . . . . 56 ARG HB2 . 53378 1 601 . 1 . 1 56 56 ARG HB3 H 1 1.832748923 0.003655243167 . . . . . . . 56 ARG HB3 . 53378 1 602 . 1 . 1 56 56 ARG HG2 H 1 1.657876873 . . . . . . . . 56 ARG HG2 . 53378 1 603 . 1 . 1 56 56 ARG HG3 H 1 1.53273911 . . . . . . . . 56 ARG HG3 . 53378 1 604 . 1 . 1 56 56 ARG HD2 H 1 3.333843708 . . . . . . . . 56 ARG HD2 . 53378 1 605 . 1 . 1 56 56 ARG HD3 H 1 3.156693152 . . . . . . . . 56 ARG HD3 . 53378 1 606 . 1 . 1 56 56 ARG C C 13 176.9498364 . . . . . . . . 56 ARG C . 53378 1 607 . 1 . 1 56 56 ARG CA C 13 58.9408991 0.04205899893 . . . . . . . 56 ARG CA . 53378 1 608 . 1 . 1 56 56 ARG CB C 13 30.39254275 0.02992997424 . . . . . . . 56 ARG CB . 53378 1 609 . 1 . 1 56 56 ARG CG C 13 27.90069231 0 . . . . . . . 56 ARG CG . 53378 1 610 . 1 . 1 56 56 ARG CD C 13 43.25226212 . . . . . . . . 56 ARG CD . 53378 1 611 . 1 . 1 56 56 ARG N N 15 117.3794511 0.03270415556 . . . . . . . 56 ARG N . 53378 1 612 . 1 . 1 57 57 LEU H H 1 6.983561494 0.002560039789 . . . . . . . 57 LEU H . 53378 1 613 . 1 . 1 57 57 LEU HA H 1 4.2125665 0.003893007053 . . . . . . . 57 LEU HA . 53378 1 614 . 1 . 1 57 57 LEU HB2 H 1 1.650428586 0.001572963009 . . . . . . . 57 LEU HB2 . 53378 1 615 . 1 . 1 57 57 LEU HB3 H 1 1.455776229 0.00259327596 . . . . . . . 57 LEU HB3 . 53378 1 616 . 1 . 1 57 57 LEU HG H 1 1.403919867 . . . . . . . . 57 LEU HG . 53378 1 617 . 1 . 1 57 57 LEU HD11 H 1 0.9566062705 . . . . . . . . 57 LEU HD1# . 53378 1 618 . 1 . 1 57 57 LEU HD12 H 1 0.9566062705 . . . . . . . . 57 LEU HD1# . 53378 1 619 . 1 . 1 57 57 LEU HD13 H 1 0.9566062705 . . . . . . . . 57 LEU HD1# . 53378 1 620 . 1 . 1 57 57 LEU HD21 H 1 0.8566097904 . . . . . . . . 57 LEU HD2# . 53378 1 621 . 1 . 1 57 57 LEU HD22 H 1 0.8566097904 . . . . . . . . 57 LEU HD2# . 53378 1 622 . 1 . 1 57 57 LEU HD23 H 1 0.8566097904 . . . . . . . . 57 LEU HD2# . 53378 1 623 . 1 . 1 57 57 LEU C C 13 177.6350143 . . . . . . . . 57 LEU C . 53378 1 624 . 1 . 1 57 57 LEU CA C 13 56.867498 0.02636189045 . . . . . . . 57 LEU CA . 53378 1 625 . 1 . 1 57 57 LEU CB C 13 43.07908584 0.03659848291 . . . . . . . 57 LEU CB . 53378 1 626 . 1 . 1 57 57 LEU CG C 13 27.29921341 . . . . . . . . 57 LEU CG . 53378 1 627 . 1 . 1 57 57 LEU CD1 C 13 25.15056515 . . . . . . . . 57 LEU CD1 . 53378 1 628 . 1 . 1 57 57 LEU CD2 C 13 23.63952813 . . . . . . . . 57 LEU CD2 . 53378 1 629 . 1 . 1 57 57 LEU N N 15 116.0483035 0.04414918411 . . . . . . . 57 LEU N . 53378 1 630 . 1 . 1 58 58 CYS H H 1 7.831972771 0.004790945707 . . . . . . . 58 CYS H . 53378 1 631 . 1 . 1 58 58 CYS HA H 1 4.520233666 0.003302857591 . . . . . . . 58 CYS HA . 53378 1 632 . 1 . 1 58 58 CYS HB2 H 1 2.138754906 0.002055580745 . . . . . . . 58 CYS HB2 . 53378 1 633 . 1 . 1 58 58 CYS HB3 H 1 1.540792403 0.001359542444 . . . . . . . 58 CYS HB3 . 53378 1 634 . 1 . 1 58 58 CYS C C 13 174.6701246 0.008076486879 . . . . . . . 58 CYS C . 53378 1 635 . 1 . 1 58 58 CYS CA C 13 53.57259277 0.04411149715 . . . . . . . 58 CYS CA . 53378 1 636 . 1 . 1 58 58 CYS CB C 13 40.9201393 0.02178281685 . . . . . . . 58 CYS CB . 53378 1 637 . 1 . 1 58 58 CYS N N 15 110.6777882 0.0319542391 . . . . . . . 58 CYS N . 53378 1 638 . 1 . 1 59 59 GLU H H 1 7.558037912 0.002913991428 . . . . . . . 59 GLU H . 53378 1 639 . 1 . 1 59 59 GLU HA H 1 4.377995384 0.00421663203 . . . . . . . 59 GLU HA . 53378 1 640 . 1 . 1 59 59 GLU HB2 H 1 2.125888231 0.003600118993 . . . . . . . 59 GLU HB2 . 53378 1 641 . 1 . 1 59 59 GLU HB3 H 1 2.104801322 0.003653705373 . . . . . . . 59 GLU HB3 . 53378 1 642 . 1 . 1 59 59 GLU HG2 H 1 2.35807778 . . . . . . . . 59 GLU HG# . 53378 1 643 . 1 . 1 59 59 GLU HG3 H 1 2.35807778 . . . . . . . . 59 GLU HG# . 53378 1 644 . 1 . 1 59 59 GLU C C 13 176.1889475 . . . . . . . . 59 GLU C . 53378 1 645 . 1 . 1 59 59 GLU CA C 13 56.853129 0.03279744145 . . . . . . . 59 GLU CA . 53378 1 646 . 1 . 1 59 59 GLU CB C 13 30.41903688 0.03283854193 . . . . . . . 59 GLU CB . 53378 1 647 . 1 . 1 59 59 GLU CG C 13 37.75109981 . . . . . . . . 59 GLU CG . 53378 1 648 . 1 . 1 59 59 GLU N N 15 117.3578087 0.03908254439 . . . . . . . 59 GLU N . 53378 1 649 . 1 . 1 60 60 GLU H H 1 7.901094796 0.008943088922 . . . . . . . 60 GLU H . 53378 1 650 . 1 . 1 60 60 GLU HA H 1 4.162275149 0.0008294463722 . . . . . . . 60 GLU HA . 53378 1 651 . 1 . 1 60 60 GLU HB2 H 1 1.981497719 0.002363282043 . . . . . . . 60 GLU HB2 . 53378 1 652 . 1 . 1 60 60 GLU HB3 H 1 1.926366563 0.004590359594 . . . . . . . 60 GLU HB3 . 53378 1 653 . 1 . 1 60 60 GLU HG2 H 1 2.214576415 . . . . . . . . 60 GLU HG2 . 53378 1 654 . 1 . 1 60 60 GLU HG3 H 1 2.160024098 . . . . . . . . 60 GLU HG3 . 53378 1 655 . 1 . 1 60 60 GLU C C 13 175.8858928 0.00624332402 . . . . . . . 60 GLU C . 53378 1 656 . 1 . 1 60 60 GLU CA C 13 56.72877864 0.02121316745 . . . . . . . 60 GLU CA . 53378 1 657 . 1 . 1 60 60 GLU CB C 13 30.08150434 0.05931319275 . . . . . . . 60 GLU CB . 53378 1 658 . 1 . 1 60 60 GLU CG C 13 36.49894714 0.004108428983 . . . . . . . 60 GLU CG . 53378 1 659 . 1 . 1 60 60 GLU N N 15 120.6343487 0.05983620839 . . . . . . . 60 GLU N . 53378 1 660 . 1 . 1 61 61 GLN H H 1 8.275813324 0.001943157008 . . . . . . . 61 GLN H . 53378 1 661 . 1 . 1 61 61 GLN HA H 1 4.357672563 0.005516306048 . . . . . . . 61 GLN HA . 53378 1 662 . 1 . 1 61 61 GLN HB2 H 1 1.898878914 0.003981202089 . . . . . . . 61 GLN HB2 . 53378 1 663 . 1 . 1 61 61 GLN HB3 H 1 2.052460482 0.0005802812702 . . . . . . . 61 GLN HB3 . 53378 1 664 . 1 . 1 61 61 GLN HG2 H 1 2.302830591 0.006557092448 . . . . . . . 61 GLN HG# . 53378 1 665 . 1 . 1 61 61 GLN HG3 H 1 2.302830591 0.006557092448 . . . . . . . 61 GLN HG# . 53378 1 666 . 1 . 1 61 61 GLN HE21 H 1 7.437507248 . . . . . . . . 61 GLN HE21 . 53378 1 667 . 1 . 1 61 61 GLN HE22 H 1 6.759371074 . . . . . . . . 61 GLN HE22 . 53378 1 668 . 1 . 1 61 61 GLN C C 13 175.5174157 . . . . . . . . 61 GLN C . 53378 1 669 . 1 . 1 61 61 GLN CA C 13 55.64317396 0.01642134608 . . . . . . . 61 GLN CA . 53378 1 670 . 1 . 1 61 61 GLN CB C 13 29.49457308 0.02311638947 . . . . . . . 61 GLN CB . 53378 1 671 . 1 . 1 61 61 GLN CG C 13 33.77087104 . . . . . . . . 61 GLN CG . 53378 1 672 . 1 . 1 61 61 GLN N N 15 121.200082 0.02229353289 . . . . . . . 61 GLN N . 53378 1 673 . 1 . 1 61 61 GLN NE2 N 15 112.7057168 0.003894708298 . . . . . . . 61 GLN NE2 . 53378 1 674 . 1 . 1 62 62 THR H H 1 8.096213594 0.001929856092 . . . . . . . 62 THR H . 53378 1 675 . 1 . 1 62 62 THR HA H 1 4.248799603 . . . . . . . . 62 THR HA . 53378 1 676 . 1 . 1 62 62 THR HB H 1 4.149519942 0.001045319904 . . . . . . . 62 THR HB . 53378 1 677 . 1 . 1 62 62 THR HG21 H 1 1.130 . . . . . . . . 62 THR HG2# . 53378 1 678 . 1 . 1 62 62 THR HG22 H 1 1.130 . . . . . . . . 62 THR HG2# . 53378 1 679 . 1 . 1 62 62 THR HG23 H 1 1.130 . . . . . . . . 62 THR HG2# . 53378 1 680 . 1 . 1 62 62 THR C C 13 173.1513601 0.005306926371 . . . . . . . 62 THR C . 53378 1 681 . 1 . 1 62 62 THR CA C 13 61.90275096 0.03356724916 . . . . . . . 62 THR CA . 53378 1 682 . 1 . 1 62 62 THR CB C 13 69.88730217 0.02295974668 . . . . . . . 62 THR CB . 53378 1 683 . 1 . 1 62 62 THR CG2 C 13 21.448 . . . . . . . . 62 THR CG2 . 53378 1 684 . 1 . 1 62 62 THR N N 15 115.3157368 0.02330050526 . . . . . . . 62 THR N . 53378 1 685 . 1 . 1 63 63 HIS H H 1 8.011537077 0.002289768087 . . . . . . . 63 HIS H . 53378 1 686 . 1 . 1 63 63 HIS HA H 1 4.44632399 . . . . . . . . 63 HIS HA . 53378 1 687 . 1 . 1 63 63 HIS HB2 H 1 3.048185076 . . . . . . . . 63 HIS HB2 . 53378 1 688 . 1 . 1 63 63 HIS HB3 H 1 3.219370914 . . . . . . . . 63 HIS HB3 . 53378 1 689 . 1 . 1 63 63 HIS HD2 H 1 7.167708739 . . . . . . . . 63 HIS HD2 . 53378 1 690 . 1 . 1 63 63 HIS C C 13 178.2859663 . . . . . . . . 63 HIS C . 53378 1 691 . 1 . 1 63 63 HIS CA C 13 56.9377239 0.0190161069 . . . . . . . 63 HIS CA . 53378 1 692 . 1 . 1 63 63 HIS CB C 13 30.07091457 0.04118946787 . . . . . . . 63 HIS CB . 53378 1 693 . 1 . 1 63 63 HIS CD2 C 13 116.8469642 . . . . . . . . 63 HIS CD2 . 53378 1 694 . 1 . 1 63 63 HIS N N 15 125.5550993 0.03125637844 . . . . . . . 63 HIS N . 53378 1 stop_ save_