################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25950 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 25950 1 2 '3D HNCACB' . . . 25950 1 3 '3D CBCA(CO)NH' . . . 25950 1 4 '3D HNCO' . . . 25950 1 5 '2D (HB)CB(CGCD)HD' . . . 25950 1 6 '3D 1H-15N NOESY' . . . 25950 1 7 '3D 1H-13C NOESY' . . . 25950 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 SER CA C 13 57.62206 0.4 . . . . . . 1 SER CA . 25950 1 2 . 1 1 1 1 SER CB C 13 63.22367 0.4 . . . . . . 1 SER CB . 25950 1 3 . 1 1 2 2 SER H H 1 8.64964 0.04 . . . . . . 2 SER H . 25950 1 4 . 1 1 2 2 SER C C 13 174.23489 0.4 . . . . . . 2 SER C . 25950 1 5 . 1 1 2 2 SER CA C 13 58.26525 0.4 . . . . . . 2 SER CA . 25950 1 6 . 1 1 2 2 SER CB C 13 65.39989 0.4 . . . . . . 2 SER CB . 25950 1 7 . 1 1 2 2 SER N N 15 116.84762 0.2 . . . . . . 2 SER N . 25950 1 8 . 1 1 3 3 VAL H H 1 7.94019 0.04 . . . . . . 3 VAL H . 25950 1 9 . 1 1 3 3 VAL C C 13 173.60271 0.4 . . . . . . 3 VAL C . 25950 1 10 . 1 1 3 3 VAL CA C 13 61.88877 0.4 . . . . . . 3 VAL CA . 25950 1 11 . 1 1 3 3 VAL CB C 13 32.593635 0.4 . . . . . . 3 VAL CB . 25950 1 12 . 1 1 3 3 VAL N N 15 116.03946 0.2 . . . . . . 3 VAL N . 25950 1 13 . 1 1 4 4 GLN H H 1 7.56956 0.04 . . . . . . 4 GLN H . 25950 1 14 . 1 1 4 4 GLN HE21 H 1 6.97954 0.04 . . . . . . 4 GLN HE21 . 25950 1 15 . 1 1 4 4 GLN HE22 H 1 7.54448 0.04 . . . . . . 4 GLN HE22 . 25950 1 16 . 1 1 4 4 GLN C C 13 175.3826 0.4 . . . . . . 4 GLN C . 25950 1 17 . 1 1 4 4 GLN CA C 13 54.722175 0.4 . . . . . . 4 GLN CA . 25950 1 18 . 1 1 4 4 GLN CB C 13 31.32261 0.4 . . . . . . 4 GLN CB . 25950 1 19 . 1 1 4 4 GLN CG C 13 33.6732 0.4 . . . . . . 4 GLN CG . 25950 1 20 . 1 1 4 4 GLN N N 15 120.3766 0.2 . . . . . . 4 GLN N . 25950 1 21 . 1 1 4 4 GLN NE2 N 15 111.458655 0.2 . . . . . . 4 GLN NE2 . 25950 1 22 . 1 1 5 5 THR H H 1 8.08282 0.04 . . . . . . 5 THR H . 25950 1 23 . 1 1 5 5 THR C C 13 173.98283 0.4 . . . . . . 5 THR C . 25950 1 24 . 1 1 5 5 THR CA C 13 59.40955 0.4 . . . . . . 5 THR CA . 25950 1 25 . 1 1 5 5 THR CB C 13 73.661525 0.4 . . . . . . 5 THR CB . 25950 1 26 . 1 1 5 5 THR N N 15 111.99282 0.2 . . . . . . 5 THR N . 25950 1 27 . 1 1 6 6 ALA H H 1 8.81581 0.04 . . . . . . 6 ALA H . 25950 1 28 . 1 1 6 6 ALA C C 13 174.1389 0.4 . . . . . . 6 ALA C . 25950 1 29 . 1 1 6 6 ALA CA C 13 51.7703 0.4 . . . . . . 6 ALA CA . 25950 1 30 . 1 1 6 6 ALA CB C 13 24.37831 0.4 . . . . . . 6 ALA CB . 25950 1 31 . 1 1 6 6 ALA N N 15 120.88232 0.2 . . . . . . 6 ALA N . 25950 1 32 . 1 1 7 7 ALA H H 1 8.94378 0.04 . . . . . . 7 ALA H . 25950 1 33 . 1 1 7 7 ALA C C 13 175.91889 0.4 . . . . . . 7 ALA C . 25950 1 34 . 1 1 7 7 ALA CA C 13 51.115585 0.4 . . . . . . 7 ALA CA . 25950 1 35 . 1 1 7 7 ALA CB C 13 23.786865 0.4 . . . . . . 7 ALA CB . 25950 1 36 . 1 1 7 7 ALA N N 15 123.31156 0.2 . . . . . . 7 ALA N . 25950 1 37 . 1 1 8 8 THR H H 1 8.97647 0.04 . . . . . . 8 THR H . 25950 1 38 . 1 1 8 8 THR C C 13 170.19491 0.4 . . . . . . 8 THR C . 25950 1 39 . 1 1 8 8 THR CA C 13 60.53063 0.4 . . . . . . 8 THR CA . 25950 1 40 . 1 1 8 8 THR CB C 13 70.288865 0.4 . . . . . . 8 THR CB . 25950 1 41 . 1 1 8 8 THR N N 15 114.50555 0.2 . . . . . . 8 THR N . 25950 1 42 . 1 1 9 9 SER H H 1 8.17162 0.04 . . . . . . 9 SER H . 25950 1 43 . 1 1 9 9 SER C C 13 173.79865 0.4 . . . . . . 9 SER C . 25950 1 44 . 1 1 9 9 SER CA C 13 57.42483 0.4 . . . . . . 9 SER CA . 25950 1 45 . 1 1 9 9 SER CB C 13 67.347315 0.4 . . . . . . 9 SER CB . 25950 1 46 . 1 1 9 9 SER N N 15 116.72914 0.2 . . . . . . 9 SER N . 25950 1 47 . 1 1 10 10 TRP H H 1 8.52767 0.04 . . . . . . 10 TRP H . 25950 1 48 . 1 1 10 10 TRP HD1 H 1 7.0023 0.04 . . . . . . 10 TRP HD1 . 25950 1 49 . 1 1 10 10 TRP HE1 H 1 9.87461 0.04 . . . . . . 10 TRP HE1 . 25950 1 50 . 1 1 10 10 TRP C C 13 174.81539 0.4 . . . . . . 10 TRP C . 25950 1 51 . 1 1 10 10 TRP CA C 13 57.67893 0.4 . . . . . . 10 TRP CA . 25950 1 52 . 1 1 10 10 TRP CB C 13 32.16315 0.4 . . . . . . 10 TRP CB . 25950 1 53 . 1 1 10 10 TRP N N 15 116.32753 0.2 . . . . . . 10 TRP N . 25950 1 54 . 1 1 10 10 TRP NE1 N 15 128.88473 0.2 . . . . . . 10 TRP NE1 . 25950 1 55 . 1 1 11 11 GLY H H 1 8.82813 0.04 . . . . . . 11 GLY H . 25950 1 56 . 1 1 11 11 GLY C C 13 173.55627 0.4 . . . . . . 11 GLY C . 25950 1 57 . 1 1 11 11 GLY CA C 13 44.645805 0.4 . . . . . . 11 GLY CA . 25950 1 58 . 1 1 11 11 GLY N N 15 105.82905 0.2 . . . . . . 11 GLY N . 25950 1 59 . 1 1 12 12 THR H H 1 8.1368 0.04 . . . . . . 12 THR H . 25950 1 60 . 1 1 12 12 THR C C 13 175.41945 0.4 . . . . . . 12 THR C . 25950 1 61 . 1 1 12 12 THR CA C 13 61.564195 0.4 . . . . . . 12 THR CA . 25950 1 62 . 1 1 12 12 THR CB C 13 69.83715 0.4 . . . . . . 12 THR CB . 25950 1 63 . 1 1 12 12 THR N N 15 105.51868 0.2 . . . . . . 12 THR N . 25950 1 64 . 1 1 13 13 VAL H H 1 7.96687 0.04 . . . . . . 13 VAL H . 25950 1 65 . 1 1 13 13 VAL CA C 13 67.93557 0.4 . . . . . . 13 VAL CA . 25950 1 66 . 1 1 13 13 VAL CB C 13 29.95618 0.4 . . . . . . 13 VAL CB . 25950 1 67 . 1 1 13 13 VAL N N 15 124.01278 0.2 . . . . . . 13 VAL N . 25950 1 68 . 1 1 14 14 PRO C C 13 174.94573 0.4 . . . . . . 14 PRO C . 25950 1 69 . 1 1 14 14 PRO CA C 13 62.47452 0.4 . . . . . . 14 PRO CA . 25950 1 70 . 1 1 14 14 PRO CB C 13 32.58256 0.4 . . . . . . 14 PRO CB . 25950 1 71 . 1 1 15 15 SER H H 1 7.12156 0.04 . . . . . . 15 SER H . 25950 1 72 . 1 1 15 15 SER C C 13 173.16689 0.4 . . . . . . 15 SER C . 25950 1 73 . 1 1 15 15 SER CA C 13 58.828125 0.4 . . . . . . 15 SER CA . 25950 1 74 . 1 1 15 15 SER CB C 13 63.936965 0.4 . . . . . . 15 SER CB . 25950 1 75 . 1 1 15 15 SER N N 15 110.13592 0.2 . . . . . . 15 SER N . 25950 1 76 . 1 1 16 16 ILE H H 1 8.75834 0.04 . . . . . . 16 ILE H . 25950 1 77 . 1 1 16 16 ILE C C 13 177.41735 0.4 . . . . . . 16 ILE C . 25950 1 78 . 1 1 16 16 ILE CA C 13 59.97912 0.4 . . . . . . 16 ILE CA . 25950 1 79 . 1 1 16 16 ILE CB C 13 42.238365 0.4 . . . . . . 16 ILE CB . 25950 1 80 . 1 1 16 16 ILE N N 15 118.98945 0.2 . . . . . . 16 ILE N . 25950 1 81 . 1 1 17 17 ARG H H 1 8.89084 0.04 . . . . . . 17 ARG H . 25950 1 82 . 1 1 17 17 ARG C C 13 174.02505 0.4 . . . . . . 17 ARG C . 25950 1 83 . 1 1 17 17 ARG CA C 13 53.66125 0.4 . . . . . . 17 ARG CA . 25950 1 84 . 1 1 17 17 ARG CB C 13 33.9618 0.4 . . . . . . 17 ARG CB . 25950 1 85 . 1 1 17 17 ARG N N 15 128.19741 0.2 . . . . . . 17 ARG N . 25950 1 86 . 1 1 18 18 VAL H H 1 8.61475 0.04 . . . . . . 18 VAL H . 25950 1 87 . 1 1 18 18 VAL C C 13 175.92772 0.4 . . . . . . 18 VAL C . 25950 1 88 . 1 1 18 18 VAL CA C 13 60.857315 0.4 . . . . . . 18 VAL CA . 25950 1 89 . 1 1 18 18 VAL CB C 13 34.50656 0.4 . . . . . . 18 VAL CB . 25950 1 90 . 1 1 18 18 VAL N N 15 120.90555 0.2 . . . . . . 18 VAL N . 25950 1 91 . 1 1 19 19 TYR H H 1 9.67841 0.04 . . . . . . 19 TYR H . 25950 1 92 . 1 1 19 19 TYR C C 13 174.92297 0.4 . . . . . . 19 TYR C . 25950 1 93 . 1 1 19 19 TYR CA C 13 56.97441 0.4 . . . . . . 19 TYR CA . 25950 1 94 . 1 1 19 19 TYR CB C 13 41.17093 0.4 . . . . . . 19 TYR CB . 25950 1 95 . 1 1 19 19 TYR N N 15 132.64665 0.2 . . . . . . 19 TYR N . 25950 1 96 . 1 1 20 20 THR H H 1 8.6732 0.04 . . . . . . 20 THR H . 25950 1 97 . 1 1 20 20 THR C C 13 172.83074 0.4 . . . . . . 20 THR C . 25950 1 98 . 1 1 20 20 THR CA C 13 61.66001 0.4 . . . . . . 20 THR CA . 25950 1 99 . 1 1 20 20 THR CB C 13 71.00831 0.4 . . . . . . 20 THR CB . 25950 1 100 . 1 1 20 20 THR N N 15 117.05568 0.2 . . . . . . 20 THR N . 25950 1 101 . 1 1 21 21 ALA H H 1 9.49063 0.04 . . . . . . 21 ALA H . 25950 1 102 . 1 1 21 21 ALA C C 13 176.1185 0.4 . . . . . . 21 ALA C . 25950 1 103 . 1 1 21 21 ALA CA C 13 50.811535 0.4 . . . . . . 21 ALA CA . 25950 1 104 . 1 1 21 21 ALA CB C 13 19.42288 0.4 . . . . . . 21 ALA CB . 25950 1 105 . 1 1 21 21 ALA N N 15 131.7884 0.2 . . . . . . 21 ALA N . 25950 1 106 . 1 1 22 22 ASN H H 1 8.98898 0.04 . . . . . . 22 ASN H . 25950 1 107 . 1 1 22 22 ASN HD21 H 1 6.51681 0.04 . . . . . . 22 ASN HD21 . 25950 1 108 . 1 1 22 22 ASN HD22 H 1 7.48892 0.04 . . . . . . 22 ASN HD22 . 25950 1 109 . 1 1 22 22 ASN C C 13 175.27923 0.4 . . . . . . 22 ASN C . 25950 1 110 . 1 1 22 22 ASN CA C 13 52.45485 0.4 . . . . . . 22 ASN CA . 25950 1 111 . 1 1 22 22 ASN CB C 13 41.16657 0.4 . . . . . . 22 ASN CB . 25950 1 112 . 1 1 22 22 ASN CG C 13 175.4032 0.4 . . . . . . 22 ASN CG . 25950 1 113 . 1 1 22 22 ASN N N 15 121.97303 0.2 . . . . . . 22 ASN N . 25950 1 114 . 1 1 22 22 ASN ND2 N 15 109.84692 0.2 . . . . . . 22 ASN ND2 . 25950 1 115 . 1 1 23 23 ASN H H 1 9.26301 0.04 . . . . . . 23 ASN H . 25950 1 116 . 1 1 23 23 ASN HD21 H 1 6.73566 0.04 . . . . . . 23 ASN HD21 . 25950 1 117 . 1 1 23 23 ASN HD22 H 1 7.49842 0.04 . . . . . . 23 ASN HD22 . 25950 1 118 . 1 1 23 23 ASN C C 13 175.24196 0.4 . . . . . . 23 ASN C . 25950 1 119 . 1 1 23 23 ASN CA C 13 54.213735 0.4 . . . . . . 23 ASN CA . 25950 1 120 . 1 1 23 23 ASN CB C 13 37.28659 0.4 . . . . . . 23 ASN CB . 25950 1 121 . 1 1 23 23 ASN CG C 13 178.2572 0.4 . . . . . . 23 ASN CG . 25950 1 122 . 1 1 23 23 ASN N N 15 125.46896 0.2 . . . . . . 23 ASN N . 25950 1 123 . 1 1 23 23 ASN ND2 N 15 112.220535 0.2 . . . . . . 23 ASN ND2 . 25950 1 124 . 1 1 24 24 GLY H H 1 8.86649 0.04 . . . . . . 24 GLY H . 25950 1 125 . 1 1 24 24 GLY C C 13 175.35048 0.4 . . . . . . 24 GLY C . 25950 1 126 . 1 1 24 24 GLY CA C 13 45.79359 0.4 . . . . . . 24 GLY CA . 25950 1 127 . 1 1 24 24 GLY N N 15 104.07452 0.2 . . . . . . 24 GLY N . 25950 1 128 . 1 1 25 25 LYS H H 1 7.79717 0.04 . . . . . . 25 LYS H . 25950 1 129 . 1 1 25 25 LYS C C 13 174.0992 0.4 . . . . . . 25 LYS C . 25950 1 130 . 1 1 25 25 LYS CA C 13 55.16495 0.4 . . . . . . 25 LYS CA . 25950 1 131 . 1 1 25 25 LYS CB C 13 35.65586 0.4 . . . . . . 25 LYS CB . 25950 1 132 . 1 1 25 25 LYS N N 15 122.85712 0.2 . . . . . . 25 LYS N . 25950 1 133 . 1 1 26 26 ILE H H 1 8.96844 0.04 . . . . . . 26 ILE H . 25950 1 134 . 1 1 26 26 ILE C C 13 175.49577 0.4 . . . . . . 26 ILE C . 25950 1 135 . 1 1 26 26 ILE CA C 13 59.404555 0.4 . . . . . . 26 ILE CA . 25950 1 136 . 1 1 26 26 ILE CB C 13 39.47796 0.4 . . . . . . 26 ILE CB . 25950 1 137 . 1 1 26 26 ILE N N 15 123.93406 0.2 . . . . . . 26 ILE N . 25950 1 138 . 1 1 27 27 THR H H 1 8.14615 0.04 . . . . . . 27 THR H . 25950 1 139 . 1 1 27 27 THR C C 13 172.99763 0.4 . . . . . . 27 THR C . 25950 1 140 . 1 1 27 27 THR CA C 13 60.06108 0.4 . . . . . . 27 THR CA . 25950 1 141 . 1 1 27 27 THR CB C 13 71.698775 0.4 . . . . . . 27 THR CB . 25950 1 142 . 1 1 27 27 THR N N 15 114.9364 0.2 . . . . . . 27 THR N . 25950 1 143 . 1 1 28 28 GLU H H 1 8.78623 0.04 . . . . . . 28 GLU H . 25950 1 144 . 1 1 28 28 GLU C C 13 175.54457 0.4 . . . . . . 28 GLU C . 25950 1 145 . 1 1 28 28 GLU CA C 13 54.998075 0.4 . . . . . . 28 GLU CA . 25950 1 146 . 1 1 28 28 GLU CB C 13 37.709715 0.4 . . . . . . 28 GLU CB . 25950 1 147 . 1 1 28 28 GLU N N 15 122.7121 0.2 . . . . . . 28 GLU N . 25950 1 148 . 1 1 29 29 ARG H H 1 8.88348 0.04 . . . . . . 29 ARG H . 25950 1 149 . 1 1 29 29 ARG C C 13 175.13363 0.4 . . . . . . 29 ARG C . 25950 1 150 . 1 1 29 29 ARG CA C 13 52.72418 0.4 . . . . . . 29 ARG CA . 25950 1 151 . 1 1 29 29 ARG CB C 13 33.495345 0.4 . . . . . . 29 ARG CB . 25950 1 152 . 1 1 29 29 ARG N N 15 127.38922 0.2 . . . . . . 29 ARG N . 25950 1 153 . 1 1 30 30 CYS H H 1 9.23347 0.04 . . . . . . 30 CYS H . 25950 1 154 . 1 1 30 30 CYS C C 13 171.06298 0.4 . . . . . . 30 CYS C . 25950 1 155 . 1 1 30 30 CYS CA C 13 56.47705 0.4 . . . . . . 30 CYS CA . 25950 1 156 . 1 1 30 30 CYS CB C 13 30.124595 0.4 . . . . . . 30 CYS CB . 25950 1 157 . 1 1 30 30 CYS N N 15 119.15395 0.2 . . . . . . 30 CYS N . 25950 1 158 . 1 1 31 31 TRP H H 1 7.97856 0.04 . . . . . . 31 TRP H . 25950 1 159 . 1 1 31 31 TRP HD1 H 1 6.9127 0.04 . . . . . . 31 TRP HD1 . 25950 1 160 . 1 1 31 31 TRP HE1 H 1 10.16167 0.04 . . . . . . 31 TRP HE1 . 25950 1 161 . 1 1 31 31 TRP C C 13 175.01972 0.4 . . . . . . 31 TRP C . 25950 1 162 . 1 1 31 31 TRP CA C 13 56.364825 0.4 . . . . . . 31 TRP CA . 25950 1 163 . 1 1 31 31 TRP CB C 13 30.339675 0.4 . . . . . . 31 TRP CB . 25950 1 164 . 1 1 31 31 TRP N N 15 121.79703 0.2 . . . . . . 31 TRP N . 25950 1 165 . 1 1 31 31 TRP NE1 N 15 129.22416 0.2 . . . . . . 31 TRP NE1 . 25950 1 166 . 1 1 32 32 ASP H H 1 8.70299 0.04 . . . . . . 32 ASP H . 25950 1 167 . 1 1 32 32 ASP CA C 13 52.66338 0.4 . . . . . . 32 ASP CA . 25950 1 168 . 1 1 32 32 ASP CB C 13 42.76604 0.4 . . . . . . 32 ASP CB . 25950 1 169 . 1 1 32 32 ASP N N 15 126.31106 0.2 . . . . . . 32 ASP N . 25950 1 170 . 1 1 33 33 GLY C C 13 174.32227 0.4 . . . . . . 33 GLY C . 25950 1 171 . 1 1 33 33 GLY CA C 13 45.6586 0.4 . . . . . . 33 GLY CA . 25950 1 172 . 1 1 34 34 LYS H H 1 7.42354 0.04 . . . . . . 34 LYS H . 25950 1 173 . 1 1 34 34 LYS CA C 13 54.76835 0.4 . . . . . . 34 LYS CA . 25950 1 174 . 1 1 34 34 LYS CB C 13 33.21858 0.4 . . . . . . 34 LYS CB . 25950 1 175 . 1 1 34 34 LYS N N 15 119.18786 0.2 . . . . . . 34 LYS N . 25950 1 176 . 1 1 35 35 GLY C C 13 173.82058 0.4 . . . . . . 35 GLY C . 25950 1 177 . 1 1 35 35 GLY CA C 13 44.19042 0.4 . . . . . . 35 GLY CA . 25950 1 178 . 1 1 36 36 TRP H H 1 8.90853 0.04 . . . . . . 36 TRP H . 25950 1 179 . 1 1 36 36 TRP HD1 H 1 7.2326 0.04 . . . . . . 36 TRP HD1 . 25950 1 180 . 1 1 36 36 TRP HE1 H 1 11.12621 0.04 . . . . . . 36 TRP HE1 . 25950 1 181 . 1 1 36 36 TRP C C 13 177.42117 0.4 . . . . . . 36 TRP C . 25950 1 182 . 1 1 36 36 TRP CA C 13 57.828075 0.4 . . . . . . 36 TRP CA . 25950 1 183 . 1 1 36 36 TRP CB C 13 30.07307 0.4 . . . . . . 36 TRP CB . 25950 1 184 . 1 1 36 36 TRP N N 15 122.81711 0.2 . . . . . . 36 TRP N . 25950 1 185 . 1 1 36 36 TRP NE1 N 15 133.08634 0.2 . . . . . . 36 TRP NE1 . 25950 1 186 . 1 1 37 37 TYR H H 1 9.27747 0.04 . . . . . . 37 TYR H . 25950 1 187 . 1 1 37 37 TYR C C 13 174.35998 0.4 . . . . . . 37 TYR C . 25950 1 188 . 1 1 37 37 TYR CA C 13 56.408235 0.4 . . . . . . 37 TYR CA . 25950 1 189 . 1 1 37 37 TYR CB C 13 40.30954 0.4 . . . . . . 37 TYR CB . 25950 1 190 . 1 1 37 37 TYR N N 15 119.17927 0.2 . . . . . . 37 TYR N . 25950 1 191 . 1 1 38 38 THR H H 1 9.2553 0.04 . . . . . . 38 THR H . 25950 1 192 . 1 1 38 38 THR C C 13 174.87187 0.4 . . . . . . 38 THR C . 25950 1 193 . 1 1 38 38 THR CA C 13 64.513835 0.4 . . . . . . 38 THR CA . 25950 1 194 . 1 1 38 38 THR CB C 13 69.35728 0.4 . . . . . . 38 THR CB . 25950 1 195 . 1 1 38 38 THR N N 15 121.49922 0.2 . . . . . . 38 THR N . 25950 1 196 . 1 1 39 39 GLY H H 1 8.50823 0.04 . . . . . . 39 GLY H . 25950 1 197 . 1 1 39 39 GLY C C 13 174.1402 0.4 . . . . . . 39 GLY C . 25950 1 198 . 1 1 39 39 GLY CA C 13 44.52477 0.4 . . . . . . 39 GLY CA . 25950 1 199 . 1 1 39 39 GLY N N 15 115.72087 0.2 . . . . . . 39 GLY N . 25950 1 200 . 1 1 40 40 ALA H H 1 8.71637 0.04 . . . . . . 40 ALA H . 25950 1 201 . 1 1 40 40 ALA C C 13 178.59889 0.4 . . . . . . 40 ALA C . 25950 1 202 . 1 1 40 40 ALA CA C 13 53.35277 0.4 . . . . . . 40 ALA CA . 25950 1 203 . 1 1 40 40 ALA CB C 13 19.56322 0.4 . . . . . . 40 ALA CB . 25950 1 204 . 1 1 40 40 ALA N N 15 120.33113 0.2 . . . . . . 40 ALA N . 25950 1 205 . 1 1 41 41 PHE H H 1 7.68319 0.04 . . . . . . 41 PHE H . 25950 1 206 . 1 1 41 41 PHE C C 13 175.26616 0.4 . . . . . . 41 PHE C . 25950 1 207 . 1 1 41 41 PHE CA C 13 60.483365 0.4 . . . . . . 41 PHE CA . 25950 1 208 . 1 1 41 41 PHE CB C 13 38.70267 0.4 . . . . . . 41 PHE CB . 25950 1 209 . 1 1 41 41 PHE N N 15 118.2637 0.2 . . . . . . 41 PHE N . 25950 1 210 . 1 1 42 42 ASN H H 1 7.52585 0.04 . . . . . . 42 ASN H . 25950 1 211 . 1 1 42 42 ASN HD21 H 1 6.45271 0.04 . . . . . . 42 ASN HD21 . 25950 1 212 . 1 1 42 42 ASN HD22 H 1 7.21756 0.04 . . . . . . 42 ASN HD22 . 25950 1 213 . 1 1 42 42 ASN C C 13 173.44773 0.4 . . . . . . 42 ASN C . 25950 1 214 . 1 1 42 42 ASN CA C 13 52.823715 0.4 . . . . . . 42 ASN CA . 25950 1 215 . 1 1 42 42 ASN CB C 13 39.40639 0.4 . . . . . . 42 ASN CB . 25950 1 216 . 1 1 42 42 ASN N N 15 128.47805 0.2 . . . . . . 42 ASN N . 25950 1 217 . 1 1 42 42 ASN ND2 N 15 110.91967 0.2 . . . . . . 42 ASN ND2 . 25950 1 218 . 1 1 43 43 GLU H H 1 7.37423 0.04 . . . . . . 43 GLU H . 25950 1 219 . 1 1 43 43 GLU C C 13 175.26616 0.4 . . . . . . 43 GLU C . 25950 1 220 . 1 1 43 43 GLU CA C 13 51.93797 0.4 . . . . . . 43 GLU CA . 25950 1 221 . 1 1 43 43 GLU CB C 13 29.95818 0.4 . . . . . . 43 GLU CB . 25950 1 222 . 1 1 43 43 GLU N N 15 121.02896 0.2 . . . . . . 43 GLU N . 25950 1 223 . 1 1 44 44 PRO C C 13 176.47219 0.4 . . . . . . 44 PRO C . 25950 1 224 . 1 1 44 44 PRO CA C 13 62.29199 0.4 . . . . . . 44 PRO CA . 25950 1 225 . 1 1 44 44 PRO CB C 13 32.80415 0.4 . . . . . . 44 PRO CB . 25950 1 226 . 1 1 45 45 GLY H H 1 7.72358 0.04 . . . . . . 45 GLY H . 25950 1 227 . 1 1 45 45 GLY C C 13 170.145 0.4 . . . . . . 45 GLY C . 25950 1 228 . 1 1 45 45 GLY CA C 13 46.191645 0.4 . . . . . . 45 GLY CA . 25950 1 229 . 1 1 45 45 GLY N N 15 107.89203 0.2 . . . . . . 45 GLY N . 25950 1 230 . 1 1 46 46 ASP H H 1 8.51319 0.04 . . . . . . 46 ASP H . 25950 1 231 . 1 1 46 46 ASP C C 13 175.73765 0.4 . . . . . . 46 ASP C . 25950 1 232 . 1 1 46 46 ASP CA C 13 54.389465 0.4 . . . . . . 46 ASP CA . 25950 1 233 . 1 1 46 46 ASP CB C 13 43.71323 0.4 . . . . . . 46 ASP CB . 25950 1 234 . 1 1 46 46 ASP N N 15 117.29844 0.2 . . . . . . 46 ASP N . 25950 1 235 . 1 1 47 47 ASN H H 1 7.8668 0.04 . . . . . . 47 ASN H . 25950 1 236 . 1 1 47 47 ASN HD21 H 1 7.72911 0.04 . . . . . . 47 ASN HD21 . 25950 1 237 . 1 1 47 47 ASN HD22 H 1 7.99931 0.04 . . . . . . 47 ASN HD22 . 25950 1 238 . 1 1 47 47 ASN C C 13 172.74645 0.4 . . . . . . 47 ASN C . 25950 1 239 . 1 1 47 47 ASN CA C 13 52.565555 0.4 . . . . . . 47 ASN CA . 25950 1 240 . 1 1 47 47 ASN CB C 13 44.432285 0.4 . . . . . . 47 ASN CB . 25950 1 241 . 1 1 47 47 ASN N N 15 116.70442 0.2 . . . . . . 47 ASN N . 25950 1 242 . 1 1 47 47 ASN ND2 N 15 114.818085 0.2 . . . . . . 47 ASN ND2 . 25950 1 243 . 1 1 48 48 VAL H H 1 9.88902 0.04 . . . . . . 48 VAL H . 25950 1 244 . 1 1 48 48 VAL C C 13 172.78605 0.4 . . . . . . 48 VAL C . 25950 1 245 . 1 1 48 48 VAL CA C 13 59.146395 0.4 . . . . . . 48 VAL CA . 25950 1 246 . 1 1 48 48 VAL CB C 13 36.517445 0.4 . . . . . . 48 VAL CB . 25950 1 247 . 1 1 48 48 VAL N N 15 125.13838 0.2 . . . . . . 48 VAL N . 25950 1 248 . 1 1 49 49 SER H H 1 8.35228 0.04 . . . . . . 49 SER H . 25950 1 249 . 1 1 49 49 SER C C 13 172.03157 0.4 . . . . . . 49 SER C . 25950 1 250 . 1 1 49 49 SER CA C 13 58.56345 0.4 . . . . . . 49 SER CA . 25950 1 251 . 1 1 49 49 SER CB C 13 67.329995 0.4 . . . . . . 49 SER CB . 25950 1 252 . 1 1 49 49 SER N N 15 121.60093 0.2 . . . . . . 49 SER N . 25950 1 253 . 1 1 50 50 VAL H H 1 8.54513 0.04 . . . . . . 50 VAL H . 25950 1 254 . 1 1 50 50 VAL C C 13 176.78212 0.4 . . . . . . 50 VAL C . 25950 1 255 . 1 1 50 50 VAL CA C 13 59.1777 0.4 . . . . . . 50 VAL CA . 25950 1 256 . 1 1 50 50 VAL CB C 13 35.235495 0.4 . . . . . . 50 VAL CB . 25950 1 257 . 1 1 50 50 VAL N N 15 116.15023 0.2 . . . . . . 50 VAL N . 25950 1 258 . 1 1 51 51 THR H H 1 8.92636 0.04 . . . . . . 51 THR H . 25950 1 259 . 1 1 51 51 THR C C 13 170.11596 0.4 . . . . . . 51 THR C . 25950 1 260 . 1 1 51 51 THR CA C 13 61.047055 0.4 . . . . . . 51 THR CA . 25950 1 261 . 1 1 51 51 THR CB C 13 69.91274 0.4 . . . . . . 51 THR CB . 25950 1 262 . 1 1 51 51 THR N N 15 118.82407 0.2 . . . . . . 51 THR N . 25950 1 263 . 1 1 52 52 SER H H 1 8.26926 0.04 . . . . . . 52 SER H . 25950 1 264 . 1 1 52 52 SER C C 13 172.16252 0.4 . . . . . . 52 SER C . 25950 1 265 . 1 1 52 52 SER CA C 13 57.794865 0.4 . . . . . . 52 SER CA . 25950 1 266 . 1 1 52 52 SER CB C 13 67.26962 0.4 . . . . . . 52 SER CB . 25950 1 267 . 1 1 52 52 SER N N 15 118.51428 0.2 . . . . . . 52 SER N . 25950 1 268 . 1 1 53 53 TRP H H 1 8.64591 0.04 . . . . . . 53 TRP H . 25950 1 269 . 1 1 53 53 TRP HD1 H 1 6.6211 0.04 . . . . . . 53 TRP HD1 . 25950 1 270 . 1 1 53 53 TRP HE1 H 1 9.42957 0.04 . . . . . . 53 TRP HE1 . 25950 1 271 . 1 1 53 53 TRP C C 13 172.23152 0.4 . . . . . . 53 TRP C . 25950 1 272 . 1 1 53 53 TRP CA C 13 57.72372 0.4 . . . . . . 53 TRP CA . 25950 1 273 . 1 1 53 53 TRP CB C 13 31.772485 0.4 . . . . . . 53 TRP CB . 25950 1 274 . 1 1 53 53 TRP N N 15 118.39433 0.2 . . . . . . 53 TRP N . 25950 1 275 . 1 1 53 53 TRP NE1 N 15 128.04434 0.2 . . . . . . 53 TRP NE1 . 25950 1 276 . 1 1 54 54 LEU H H 1 8.52688 0.04 . . . . . . 54 LEU H . 25950 1 277 . 1 1 54 54 LEU C C 13 178.31131 0.4 . . . . . . 54 LEU C . 25950 1 278 . 1 1 54 54 LEU CA C 13 53.54404 0.4 . . . . . . 54 LEU CA . 25950 1 279 . 1 1 54 54 LEU CB C 13 45.424175 0.4 . . . . . . 54 LEU CB . 25950 1 280 . 1 1 54 54 LEU N N 15 122.12461 0.2 . . . . . . 54 LEU N . 25950 1 281 . 1 1 55 55 VAL H H 1 8.6543 0.04 . . . . . . 55 VAL H . 25950 1 282 . 1 1 55 55 VAL C C 13 177.33163 0.4 . . . . . . 55 VAL C . 25950 1 283 . 1 1 55 55 VAL CA C 13 62.405405 0.4 . . . . . . 55 VAL CA . 25950 1 284 . 1 1 55 55 VAL CB C 13 32.470255 0.4 . . . . . . 55 VAL CB . 25950 1 285 . 1 1 55 55 VAL N N 15 123.01032 0.2 . . . . . . 55 VAL N . 25950 1 286 . 1 1 56 56 GLY H H 1 9.1675 0.04 . . . . . . 56 GLY H . 25950 1 287 . 1 1 56 56 GLY C C 13 174.47123 0.4 . . . . . . 56 GLY C . 25950 1 288 . 1 1 56 56 GLY CA C 13 47.31988 0.4 . . . . . . 56 GLY CA . 25950 1 289 . 1 1 56 56 GLY N N 15 119.15676 0.2 . . . . . . 56 GLY N . 25950 1 290 . 1 1 57 57 SER H H 1 8.90489 0.04 . . . . . . 57 SER H . 25950 1 291 . 1 1 57 57 SER C C 13 173.51317 0.4 . . . . . . 57 SER C . 25950 1 292 . 1 1 57 57 SER CA C 13 58.106225 0.4 . . . . . . 57 SER CA . 25950 1 293 . 1 1 57 57 SER CB C 13 64.028075 0.4 . . . . . . 57 SER CB . 25950 1 294 . 1 1 57 57 SER N N 15 122.0988 0.2 . . . . . . 57 SER N . 25950 1 295 . 1 1 58 58 ALA H H 1 8.12143 0.04 . . . . . . 58 ALA H . 25950 1 296 . 1 1 58 58 ALA C C 13 174.96615 0.4 . . . . . . 58 ALA C . 25950 1 297 . 1 1 58 58 ALA CA C 13 51.767815 0.4 . . . . . . 58 ALA CA . 25950 1 298 . 1 1 58 58 ALA CB C 13 20.127435 0.4 . . . . . . 58 ALA CB . 25950 1 299 . 1 1 58 58 ALA N N 15 127.18936 0.2 . . . . . . 58 ALA N . 25950 1 300 . 1 1 59 59 ILE H H 1 7.51556 0.04 . . . . . . 59 ILE H . 25950 1 301 . 1 1 59 59 ILE C C 13 172.25305 0.4 . . . . . . 59 ILE C . 25950 1 302 . 1 1 59 59 ILE CA C 13 56.314445 0.4 . . . . . . 59 ILE CA . 25950 1 303 . 1 1 59 59 ILE CB C 13 39.883485 0.4 . . . . . . 59 ILE CB . 25950 1 304 . 1 1 59 59 ILE N N 15 123.81027 0.2 . . . . . . 59 ILE N . 25950 1 305 . 1 1 60 60 HIS H H 1 7.54347 0.04 . . . . . . 60 HIS H . 25950 1 306 . 1 1 60 60 HIS HD2 H 1 6.7224 0.04 . . . . . . 60 HIS HD2 . 25950 1 307 . 1 1 60 60 HIS C C 13 172.60347 0.4 . . . . . . 60 HIS C . 25950 1 308 . 1 1 60 60 HIS CA C 13 53.135445 0.4 . . . . . . 60 HIS CA . 25950 1 309 . 1 1 60 60 HIS CB C 13 29.88654 0.4 . . . . . . 60 HIS CB . 25950 1 310 . 1 1 60 60 HIS N N 15 123.14607 0.2 . . . . . . 60 HIS N . 25950 1 311 . 1 1 61 61 ILE H H 1 8.59381 0.04 . . . . . . 61 ILE H . 25950 1 312 . 1 1 61 61 ILE C C 13 176.98707 0.4 . . . . . . 61 ILE C . 25950 1 313 . 1 1 61 61 ILE CA C 13 60.44933 0.4 . . . . . . 61 ILE CA . 25950 1 314 . 1 1 61 61 ILE CB C 13 41.41217 0.4 . . . . . . 61 ILE CB . 25950 1 315 . 1 1 61 61 ILE N N 15 119.31422 0.2 . . . . . . 61 ILE N . 25950 1 316 . 1 1 62 62 ARG H H 1 9.17544 0.04 . . . . . . 62 ARG H . 25950 1 317 . 1 1 62 62 ARG C C 13 172.87915 0.4 . . . . . . 62 ARG C . 25950 1 318 . 1 1 62 62 ARG CA C 13 53.359325 0.4 . . . . . . 62 ARG CA . 25950 1 319 . 1 1 62 62 ARG CB C 13 32.59882 0.4 . . . . . . 62 ARG CB . 25950 1 320 . 1 1 62 62 ARG N N 15 129.91731 0.2 . . . . . . 62 ARG N . 25950 1 321 . 1 1 63 63 VAL H H 1 8.86836 0.04 . . . . . . 63 VAL H . 25950 1 322 . 1 1 63 63 VAL C C 13 174.1183 0.4 . . . . . . 63 VAL C . 25950 1 323 . 1 1 63 63 VAL CA C 13 60.221985 0.4 . . . . . . 63 VAL CA . 25950 1 324 . 1 1 63 63 VAL CB C 13 34.1058 0.4 . . . . . . 63 VAL CB . 25950 1 325 . 1 1 63 63 VAL N N 15 123.46055 0.2 . . . . . . 63 VAL N . 25950 1 326 . 1 1 64 64 TYR H H 1 8.63302 0.04 . . . . . . 64 TYR H . 25950 1 327 . 1 1 64 64 TYR C C 13 175.24313 0.4 . . . . . . 64 TYR C . 25950 1 328 . 1 1 64 64 TYR CA C 13 57.869375 0.4 . . . . . . 64 TYR CA . 25950 1 329 . 1 1 64 64 TYR CB C 13 36.846465 0.4 . . . . . . 64 TYR CB . 25950 1 330 . 1 1 64 64 TYR N N 15 125.40504 0.2 . . . . . . 64 TYR N . 25950 1 331 . 1 1 65 65 ALA H H 1 9.28586 0.04 . . . . . . 65 ALA H . 25950 1 332 . 1 1 65 65 ALA C C 13 172.53152 0.4 . . . . . . 65 ALA C . 25950 1 333 . 1 1 65 65 ALA CA C 13 50.50465 0.4 . . . . . . 65 ALA CA . 25950 1 334 . 1 1 65 65 ALA CB C 13 22.40667 0.4 . . . . . . 65 ALA CB . 25950 1 335 . 1 1 65 65 ALA N N 15 132.15496 0.2 . . . . . . 65 ALA N . 25950 1 336 . 1 1 66 66 SER H H 1 8.90513 0.04 . . . . . . 66 SER H . 25950 1 337 . 1 1 66 66 SER C C 13 173.29414 0.4 . . . . . . 66 SER C . 25950 1 338 . 1 1 66 66 SER CA C 13 58.119975 0.4 . . . . . . 66 SER CA . 25950 1 339 . 1 1 66 66 SER CB C 13 65.199235 0.4 . . . . . . 66 SER CB . 25950 1 340 . 1 1 66 66 SER N N 15 118.68443 0.2 . . . . . . 66 SER N . 25950 1 341 . 1 1 67 67 THR H H 1 8.54262 0.04 . . . . . . 67 THR H . 25950 1 342 . 1 1 67 67 THR C C 13 174.63668 0.4 . . . . . . 67 THR C . 25950 1 343 . 1 1 67 67 THR CA C 13 62.12828 0.4 . . . . . . 67 THR CA . 25950 1 344 . 1 1 67 67 THR CB C 13 71.052435 0.4 . . . . . . 67 THR CB . 25950 1 345 . 1 1 67 67 THR N N 15 121.54971 0.2 . . . . . . 67 THR N . 25950 1 346 . 1 1 68 68 GLY H H 1 9.40147 0.04 . . . . . . 68 GLY H . 25950 1 347 . 1 1 68 68 GLY CA C 13 47.285465 0.4 . . . . . . 68 GLY CA . 25950 1 348 . 1 1 68 68 GLY N N 15 118.23208 0.2 . . . . . . 68 GLY N . 25950 1 349 . 1 1 69 69 THR H H 1 8.57853 0.04 . . . . . . 69 THR H . 25950 1 350 . 1 1 69 69 THR C C 13 174.52655 0.4 . . . . . . 69 THR C . 25950 1 351 . 1 1 69 69 THR CA C 13 61.157335 0.4 . . . . . . 69 THR CA . 25950 1 352 . 1 1 69 69 THR CB C 13 68.51747 0.4 . . . . . . 69 THR CB . 25950 1 353 . 1 1 69 69 THR N N 15 115.66409 0.2 . . . . . . 69 THR N . 25950 1 354 . 1 1 70 70 THR H H 1 8.34935 0.04 . . . . . . 70 THR H . 25950 1 355 . 1 1 70 70 THR C C 13 173.81285 0.4 . . . . . . 70 THR C . 25950 1 356 . 1 1 70 70 THR CA C 13 62.406235 0.4 . . . . . . 70 THR CA . 25950 1 357 . 1 1 70 70 THR CB C 13 70.441275 0.4 . . . . . . 70 THR CB . 25950 1 358 . 1 1 70 70 THR N N 15 119.39102 0.2 . . . . . . 70 THR N . 25950 1 359 . 1 1 71 71 THR H H 1 8.83535 0.04 . . . . . . 71 THR H . 25950 1 360 . 1 1 71 71 THR C C 13 172.78093 0.4 . . . . . . 71 THR C . 25950 1 361 . 1 1 71 71 THR CA C 13 61.684375 0.4 . . . . . . 71 THR CA . 25950 1 362 . 1 1 71 71 THR CB C 13 70.548075 0.4 . . . . . . 71 THR CB . 25950 1 363 . 1 1 71 71 THR N N 15 126.29549 0.2 . . . . . . 71 THR N . 25950 1 364 . 1 1 72 72 THR H H 1 9.44906 0.04 . . . . . . 72 THR H . 25950 1 365 . 1 1 72 72 THR C C 13 171.31903 0.4 . . . . . . 72 THR C . 25950 1 366 . 1 1 72 72 THR CA C 13 62.00958 0.4 . . . . . . 72 THR CA . 25950 1 367 . 1 1 72 72 THR CB C 13 70.95388 0.4 . . . . . . 72 THR CB . 25950 1 368 . 1 1 72 72 THR N N 15 125.17024 0.2 . . . . . . 72 THR N . 25950 1 369 . 1 1 73 73 GLU H H 1 8.59524 0.04 . . . . . . 73 GLU H . 25950 1 370 . 1 1 73 73 GLU C C 13 173.35111 0.4 . . . . . . 73 GLU C . 25950 1 371 . 1 1 73 73 GLU CA C 13 53.818225 0.4 . . . . . . 73 GLU CA . 25950 1 372 . 1 1 73 73 GLU CB C 13 34.853135 0.4 . . . . . . 73 GLU CB . 25950 1 373 . 1 1 73 73 GLU N N 15 128.77799 0.2 . . . . . . 73 GLU N . 25950 1 374 . 1 1 74 74 TRP H H 1 9.54876 0.04 . . . . . . 74 TRP H . 25950 1 375 . 1 1 74 74 TRP HD1 H 1 6.742 0.04 . . . . . . 74 TRP HD1 . 25950 1 376 . 1 1 74 74 TRP HE1 H 1 10.49764 0.04 . . . . . . 74 TRP HE1 . 25950 1 377 . 1 1 74 74 TRP C C 13 176.31367 0.4 . . . . . . 74 TRP C . 25950 1 378 . 1 1 74 74 TRP CA C 13 55.4489 0.4 . . . . . . 74 TRP CA . 25950 1 379 . 1 1 74 74 TRP CB C 13 33.697835 0.4 . . . . . . 74 TRP CB . 25950 1 380 . 1 1 74 74 TRP N N 15 129.32799 0.2 . . . . . . 74 TRP N . 25950 1 381 . 1 1 74 74 TRP NE1 N 15 128.07764 0.2 . . . . . . 74 TRP NE1 . 25950 1 382 . 1 1 75 75 CYS H H 1 10.14431 0.04 . . . . . . 75 CYS H . 25950 1 383 . 1 1 75 75 CYS C C 13 173.44805 0.4 . . . . . . 75 CYS C . 25950 1 384 . 1 1 75 75 CYS CA C 13 57.42972 0.4 . . . . . . 75 CYS CA . 25950 1 385 . 1 1 75 75 CYS CB C 13 29.501935 0.4 . . . . . . 75 CYS CB . 25950 1 386 . 1 1 75 75 CYS N N 15 120.56172 0.2 . . . . . . 75 CYS N . 25950 1 387 . 1 1 76 76 TRP H H 1 8.64457 0.04 . . . . . . 76 TRP H . 25950 1 388 . 1 1 76 76 TRP HD1 H 1 6.3234 0.04 . . . . . . 76 TRP HD1 . 25950 1 389 . 1 1 76 76 TRP HE1 H 1 10.08418 0.04 . . . . . . 76 TRP HE1 . 25950 1 390 . 1 1 76 76 TRP C C 13 175.54976 0.4 . . . . . . 76 TRP C . 25950 1 391 . 1 1 76 76 TRP CA C 13 56.74094 0.4 . . . . . . 76 TRP CA . 25950 1 392 . 1 1 76 76 TRP CB C 13 28.43942 0.4 . . . . . . 76 TRP CB . 25950 1 393 . 1 1 76 76 TRP N N 15 124.742 0.2 . . . . . . 76 TRP N . 25950 1 394 . 1 1 76 76 TRP NE1 N 15 127.90712 0.2 . . . . . . 76 TRP NE1 . 25950 1 395 . 1 1 77 77 ASP H H 1 8.09716 0.04 . . . . . . 77 ASP H . 25950 1 396 . 1 1 77 77 ASP CA C 13 52.29328 0.4 . . . . . . 77 ASP CA . 25950 1 397 . 1 1 77 77 ASP CB C 13 42.76651 0.4 . . . . . . 77 ASP CB . 25950 1 398 . 1 1 77 77 ASP N N 15 126.56255 0.2 . . . . . . 77 ASP N . 25950 1 399 . 1 1 78 78 GLY C C 13 174.107 0.4 . . . . . . 78 GLY C . 25950 1 400 . 1 1 78 78 GLY CA C 13 45.72885 0.4 . . . . . . 78 GLY CA . 25950 1 401 . 1 1 79 79 ASN H H 1 7.88241 0.04 . . . . . . 79 ASN H . 25950 1 402 . 1 1 79 79 ASN HD21 H 1 6.65462 0.04 . . . . . . 79 ASN HD21 . 25950 1 403 . 1 1 79 79 ASN HD22 H 1 7.32294 0.04 . . . . . . 79 ASN HD22 . 25950 1 404 . 1 1 79 79 ASN CA C 13 52.52844 0.4 . . . . . . 79 ASN CA . 25950 1 405 . 1 1 79 79 ASN CB C 13 39.3827 0.4 . . . . . . 79 ASN CB . 25950 1 406 . 1 1 79 79 ASN CG C 13 177.68 0.4 . . . . . . 79 ASN CG . 25950 1 407 . 1 1 79 79 ASN N N 15 118.19476 0.2 . . . . . . 79 ASN N . 25950 1 408 . 1 1 79 79 ASN ND2 N 15 112.176145 0.2 . . . . . . 79 ASN ND2 . 25950 1 409 . 1 1 80 80 GLY C C 13 172.83512 0.4 . . . . . . 80 GLY C . 25950 1 410 . 1 1 80 80 GLY CA C 13 44.19188 0.4 . . . . . . 80 GLY CA . 25950 1 411 . 1 1 81 81 TRP H H 1 8.68998 0.04 . . . . . . 81 TRP H . 25950 1 412 . 1 1 81 81 TRP HD1 H 1 7.4015 0.04 . . . . . . 81 TRP HD1 . 25950 1 413 . 1 1 81 81 TRP HE1 H 1 11.28515 0.04 . . . . . . 81 TRP HE1 . 25950 1 414 . 1 1 81 81 TRP C C 13 178.15023 0.4 . . . . . . 81 TRP C . 25950 1 415 . 1 1 81 81 TRP CA C 13 57.40688 0.4 . . . . . . 81 TRP CA . 25950 1 416 . 1 1 81 81 TRP CB C 13 30.19702 0.4 . . . . . . 81 TRP CB . 25950 1 417 . 1 1 81 81 TRP N N 15 121.68885 0.2 . . . . . . 81 TRP N . 25950 1 418 . 1 1 81 81 TRP NE1 N 15 132.02791 0.2 . . . . . . 81 TRP NE1 . 25950 1 419 . 1 1 82 82 THR H H 1 9.64006 0.04 . . . . . . 82 THR H . 25950 1 420 . 1 1 82 82 THR C C 13 173.48877 0.4 . . . . . . 82 THR C . 25950 1 421 . 1 1 82 82 THR CA C 13 60.11603 0.4 . . . . . . 82 THR CA . 25950 1 422 . 1 1 82 82 THR CB C 13 72.15173 0.4 . . . . . . 82 THR CB . 25950 1 423 . 1 1 82 82 THR N N 15 116.56578 0.2 . . . . . . 82 THR N . 25950 1 424 . 1 1 83 83 LYS H H 1 8.81437 0.04 . . . . . . 83 LYS H . 25950 1 425 . 1 1 83 83 LYS C C 13 178.13944 0.4 . . . . . . 83 LYS C . 25950 1 426 . 1 1 83 83 LYS CA C 13 57.42627 0.4 . . . . . . 83 LYS CA . 25950 1 427 . 1 1 83 83 LYS CB C 13 32.58761 0.4 . . . . . . 83 LYS CB . 25950 1 428 . 1 1 83 83 LYS N N 15 125.57722 0.2 . . . . . . 83 LYS N . 25950 1 429 . 1 1 84 84 GLY H H 1 9.05461 0.04 . . . . . . 84 GLY H . 25950 1 430 . 1 1 84 84 GLY C C 13 174.58081 0.4 . . . . . . 84 GLY C . 25950 1 431 . 1 1 84 84 GLY CA C 13 44.27271 0.4 . . . . . . 84 GLY CA . 25950 1 432 . 1 1 84 84 GLY N N 15 115.28676 0.2 . . . . . . 84 GLY N . 25950 1 433 . 1 1 85 85 ALA H H 1 8.43668 0.04 . . . . . . 85 ALA H . 25950 1 434 . 1 1 85 85 ALA C C 13 176.91597 0.4 . . . . . . 85 ALA C . 25950 1 435 . 1 1 85 85 ALA CA C 13 52.50288 0.4 . . . . . . 85 ALA CA . 25950 1 436 . 1 1 85 85 ALA CB C 13 19.3588 0.4 . . . . . . 85 ALA CB . 25950 1 437 . 1 1 85 85 ALA N N 15 120.4748 0.2 . . . . . . 85 ALA N . 25950 1 438 . 1 1 86 86 TYR H H 1 7.2862 0.04 . . . . . . 86 TYR H . 25950 1 439 . 1 1 86 86 TYR C C 13 175.03759 0.4 . . . . . . 86 TYR C . 25950 1 440 . 1 1 86 86 TYR CA C 13 61.576345 0.4 . . . . . . 86 TYR CA . 25950 1 441 . 1 1 86 86 TYR CB C 13 40.089185 0.4 . . . . . . 86 TYR CB . 25950 1 442 . 1 1 86 86 TYR N N 15 119.19931 0.2 . . . . . . 86 TYR N . 25950 1 443 . 1 1 87 87 THR H H 1 5.33271 0.04 . . . . . . 87 THR H . 25950 1 444 . 1 1 87 87 THR C C 13 172.95262 0.4 . . . . . . 87 THR C . 25950 1 445 . 1 1 87 87 THR CA C 13 58.55586 0.4 . . . . . . 87 THR CA . 25950 1 446 . 1 1 87 87 THR CB C 13 72.49475 0.4 . . . . . . 87 THR CB . 25950 1 447 . 1 1 87 87 THR N N 15 115.28628 0.2 . . . . . . 87 THR N . 25950 1 448 . 1 1 88 88 ALA H H 1 8.35526 0.04 . . . . . . 88 ALA H . 25950 1 449 . 1 1 88 88 ALA C C 13 176.5239 0.4 . . . . . . 88 ALA C . 25950 1 450 . 1 1 88 88 ALA CA C 13 52.870845 0.4 . . . . . . 88 ALA CA . 25950 1 451 . 1 1 88 88 ALA CB C 13 20.643665 0.4 . . . . . . 88 ALA CB . 25950 1 452 . 1 1 88 88 ALA N N 15 123.99041 0.2 . . . . . . 88 ALA N . 25950 1 453 . 1 1 89 89 THR H H 1 7.63625 0.04 . . . . . . 89 THR H . 25950 1 454 . 1 1 89 89 THR C C 13 172.97959 0.4 . . . . . . 89 THR C . 25950 1 455 . 1 1 89 89 THR CA C 13 60.676355 0.4 . . . . . . 89 THR CA . 25950 1 456 . 1 1 89 89 THR CB C 13 70.526005 0.4 . . . . . . 89 THR CB . 25950 1 457 . 1 1 89 89 THR N N 15 109.21159 0.2 . . . . . . 89 THR N . 25950 1 458 . 1 1 90 90 ASN H H 1 8.0904 0.04 . . . . . . 90 ASN H . 25950 1 459 . 1 1 90 90 ASN HD21 H 1 6.88486 0.04 . . . . . . 90 ASN HD21 . 25950 1 460 . 1 1 90 90 ASN HD22 H 1 7.50447 0.04 . . . . . . 90 ASN HD22 . 25950 1 461 . 1 1 90 90 ASN CA C 13 55.25332 0.4 . . . . . . 90 ASN CA . 25950 1 462 . 1 1 90 90 ASN CB C 13 39.93805 0.4 . . . . . . 90 ASN CB . 25950 1 463 . 1 1 90 90 ASN CG C 13 178.42 0.4 . . . . . . 90 ASN CG . 25950 1 464 . 1 1 90 90 ASN N N 15 125.1652 0.2 . . . . . . 90 ASN N . 25950 1 465 . 1 1 90 90 ASN ND2 N 15 112.969495 0.2 . . . . . . 90 ASN ND2 . 25950 1 stop_ save_