################################### # 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 16780 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 16780 1 2 '3D CBCA(CO)NH' . . . 16780 1 3 '3D HNCO' . . . 16780 1 4 '3D HNCACB' . . . 16780 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 175.93265 0 . 1 . . . . . 2 Gln C . 16780 1 2 . 1 1 3 3 THR H H 1 7.95281 0.00432 . 1 . . . . . 3 Thr H . 16780 1 3 . 1 1 3 3 THR C C 13 174.40301 0 . 1 . . . . . 3 Thr C . 16780 1 4 . 1 1 3 3 THR CA C 13 61.75094 0 . 1 . . . . . 3 Thr CA . 16780 1 5 . 1 1 3 3 THR CB C 13 69.78416 0.06166 . 1 . . . . . 3 Thr CB . 16780 1 6 . 1 1 3 3 THR N N 15 115.48575 0.04851 . 1 . . . . . 3 Thr N . 16780 1 7 . 1 1 4 4 VAL H H 1 7.89329 0.00914 . 1 . . . . . 4 Val H . 16780 1 8 . 1 1 4 4 VAL HA H 1 4.64390 0 . 1 . . . . . 4 Val HA . 16780 1 9 . 1 1 4 4 VAL C C 13 174.90155 0 . 1 . . . . . 4 Val C . 16780 1 10 . 1 1 4 4 VAL CA C 13 62.24386 0.05539 . 1 . . . . . 4 Val CA . 16780 1 11 . 1 1 4 4 VAL CB C 13 32.94473 0.00725 . 1 . . . . . 4 Val CB . 16780 1 12 . 1 1 4 4 VAL N N 15 121.58031 0.01941 . 1 . . . . . 4 Val N . 16780 1 13 . 1 1 5 5 ASN H H 1 7.76616 0.00671 . 1 . . . . . 5 Asn H . 16780 1 14 . 1 1 5 5 ASN CA C 13 54.86545 0 . 1 . . . . . 5 Asn CA . 16780 1 15 . 1 1 5 5 ASN CB C 13 40.80533 0 . 1 . . . . . 5 Asn CB . 16780 1 16 . 1 1 5 5 ASN N N 15 127.12711 0.00702 . 1 . . . . . 5 Asn N . 16780 1 17 . 1 1 6 6 ASN H H 1 6.54108 0.00326 . 1 . . . . . 6 Asn H . 16780 1 18 . 1 1 6 6 ASN C C 13 175.13614 0 . 1 . . . . . 6 Asn C . 16780 1 19 . 1 1 6 6 ASN CA C 13 53.63949 0.04252 . 1 . . . . . 6 Asn CA . 16780 1 20 . 1 1 6 6 ASN CB C 13 39.05886 0.00140 . 1 . . . . . 6 Asn CB . 16780 1 21 . 1 1 6 6 ASN N N 15 111.19602 0.09355 . 1 . . . . . 6 Asn N . 16780 1 22 . 1 1 7 7 ILE H H 1 7.86991 0.00610 . 1 . . . . . 7 Ile H . 16780 1 23 . 1 1 7 7 ILE C C 13 176.69296 0 . 1 . . . . . 7 Ile C . 16780 1 24 . 1 1 7 7 ILE CA C 13 61.52847 0.05115 . 1 . . . . . 7 Ile CA . 16780 1 25 . 1 1 7 7 ILE CB C 13 38.88493 0 . 1 . . . . . 7 Ile CB . 16780 1 26 . 1 1 7 7 ILE N N 15 120.47170 0.05046 . 1 . . . . . 7 Ile N . 16780 1 27 . 1 1 8 8 ILE H H 1 8.00503 0.00509 . 1 . . . . . 8 Ile H . 16780 1 28 . 1 1 8 8 ILE CA C 13 61.14003 0 . 1 . . . . . 8 Ile CA . 16780 1 29 . 1 1 8 8 ILE CB C 13 38.80747 0 . 1 . . . . . 8 Ile CB . 16780 1 30 . 1 1 8 8 ILE N N 15 123.82744 0.03305 . 1 . . . . . 8 Ile N . 16780 1 31 . 1 1 9 9 SER H H 1 8.02244 0.00415 . 1 . . . . . 9 Ser H . 16780 1 32 . 1 1 9 9 SER N N 15 118.38249 0.00683 . 1 . . . . . 9 Ser N . 16780 1 33 . 1 1 10 10 SER H H 1 7.99014 0.00196 . 1 . . . . . 10 Ser H . 16780 1 34 . 1 1 10 10 SER C C 13 172.30432 0 . 1 . . . . . 10 Ser C . 16780 1 35 . 1 1 10 10 SER CA C 13 58.35405 0.03242 . 1 . . . . . 10 Ser CA . 16780 1 36 . 1 1 10 10 SER CB C 13 64.08675 0.08107 . 1 . . . . . 10 Ser CB . 16780 1 37 . 1 1 10 10 SER N N 15 116.42093 0.00141 . 1 . . . . . 10 Ser N . 16780 1 38 . 1 1 11 11 VAL H H 1 7.64476 0.02942 . 1 . . . . . 11 Val H . 16780 1 39 . 1 1 11 11 VAL C C 13 175.63383 0 . 1 . . . . . 11 Val C . 16780 1 40 . 1 1 11 11 VAL CA C 13 61.84504 0.09416 . 1 . . . . . 11 Val CA . 16780 1 41 . 1 1 11 11 VAL CB C 13 32.89523 0.02382 . 1 . . . . . 11 Val CB . 16780 1 42 . 1 1 11 11 VAL N N 15 119.62483 0.02767 . 1 . . . . . 11 Val N . 16780 1 43 . 1 1 12 12 SER H H 1 8.15542 0.00747 . 1 . . . . . 12 Ser H . 16780 1 44 . 1 1 12 12 SER C C 13 174.36234 0 . 1 . . . . . 12 Ser C . 16780 1 45 . 1 1 12 12 SER CA C 13 57.87578 0.03454 . 1 . . . . . 12 Ser CA . 16780 1 46 . 1 1 12 12 SER CB C 13 64.15657 0.05833 . 1 . . . . . 12 Ser CB . 16780 1 47 . 1 1 12 12 SER N N 15 118.89601 0.00592 . 1 . . . . . 12 Ser N . 16780 1 48 . 1 1 13 13 THR H H 1 7.73832 0.00634 . 1 . . . . . 13 Thr H . 16780 1 49 . 1 1 13 13 THR CA C 13 61.47383 0 . 1 . . . . . 13 Thr CA . 16780 1 50 . 1 1 13 13 THR CB C 13 70.23425 0 . 1 . . . . . 13 Thr CB . 16780 1 51 . 1 1 13 13 THR N N 15 112.75673 0.02877 . 1 . . . . . 13 Thr N . 16780 1 52 . 1 1 14 14 VAL CB C 13 38.31531 0 . 1 . . . . . 14 Val CB . 16780 1 53 . 1 1 16 16 SER C C 13 176.14336 0 . 1 . . . . . 16 Ser C . 16780 1 54 . 1 1 16 16 SER CB C 13 63.53583 0 . 1 . . . . . 16 Ser CB . 16780 1 55 . 1 1 17 17 LYS H H 1 8.42621 0.00703 . 1 . . . . . 17 Lys H . 16780 1 56 . 1 1 17 17 LYS C C 13 177.99610 0 . 1 . . . . . 17 Lys C . 16780 1 57 . 1 1 17 17 LYS CA C 13 60.00241 0.02071 . 1 . . . . . 17 Lys CA . 16780 1 58 . 1 1 17 17 LYS CB C 13 31.71487 0.04057 . 1 . . . . . 17 Lys CB . 16780 1 59 . 1 1 17 17 LYS N N 15 120.11276 0.03782 . 1 . . . . . 17 Lys N . 16780 1 60 . 1 1 18 18 ALA H H 1 6.87331 0.00600 . 1 . . . . . 18 Ala H . 16780 1 61 . 1 1 18 18 ALA HA H 1 4.03065 0 . 1 . . . . . 18 Ala HA . 16780 1 62 . 1 1 18 18 ALA C C 13 180.34124 0 . 1 . . . . . 18 Ala C . 16780 1 63 . 1 1 18 18 ALA CA C 13 54.80078 0.01622 . 1 . . . . . 18 Ala CA . 16780 1 64 . 1 1 18 18 ALA CB C 13 18.12779 0.05996 . 1 . . . . . 18 Ala CB . 16780 1 65 . 1 1 18 18 ALA N N 15 121.09287 0.03173 . 1 . . . . . 18 Ala N . 16780 1 66 . 1 1 19 19 TYR H H 1 7.91289 0.00670 . 1 . . . . . 19 Tyr H . 16780 1 67 . 1 1 19 19 TYR HA H 1 4.11461 0 . 1 . . . . . 19 Tyr HA . 16780 1 68 . 1 1 19 19 TYR CA C 13 61.18065 0 . 1 . . . . . 19 Tyr CA . 16780 1 69 . 1 1 19 19 TYR CB C 13 38.31531 0 . 1 . . . . . 19 Tyr CB . 16780 1 70 . 1 1 19 19 TYR N N 15 118.81394 0.02823 . 1 . . . . . 19 Tyr N . 16780 1 71 . 1 1 20 20 ARG C C 13 178.44397 0 . 1 . . . . . 20 Arg C . 16780 1 72 . 1 1 20 20 ARG CA C 13 60.76037 0 . 1 . . . . . 20 Arg CA . 16780 1 73 . 1 1 20 20 ARG CB C 13 29.60760 3.33136e-04 . 1 . . . . . 20 Arg CB . 16780 1 74 . 1 1 21 21 ASP H H 1 8.14963 0.00772 . 1 . . . . . 21 Asp H . 16780 1 75 . 1 1 21 21 ASP C C 13 180.32535 0 . 1 . . . . . 21 Asp C . 16780 1 76 . 1 1 21 21 ASP CA C 13 58.01245 0.07229 . 1 . . . . . 21 Asp CA . 16780 1 77 . 1 1 21 21 ASP CB C 13 39.69352 0.09361 . 1 . . . . . 21 Asp CB . 16780 1 78 . 1 1 21 21 ASP N N 15 118.37321 0.03788 . 1 . . . . . 21 Asp N . 16780 1 79 . 1 1 22 22 ALA H H 1 7.79525 0.00944 . 1 . . . . . 22 Ala H . 16780 1 80 . 1 1 22 22 ALA HA H 1 3.85309 0 . 1 . . . . . 22 Ala HA . 16780 1 81 . 1 1 22 22 ALA CA C 13 55.92359 0.00676 . 1 . . . . . 22 Ala CA . 16780 1 82 . 1 1 22 22 ALA CB C 13 18.92096 0.16518 . 1 . . . . . 22 Ala CB . 16780 1 83 . 1 1 22 22 ALA N N 15 125.76279 0.03597 . 1 . . . . . 22 Ala N . 16780 1 84 . 1 1 23 23 MET H H 1 8.63531 0.00871 . 1 . . . . . 23 Met H . 16780 1 85 . 1 1 23 23 MET C C 13 179.79727 0 . 1 . . . . . 23 Met C . 16780 1 86 . 1 1 23 23 MET CA C 13 56.84778 0.09824 . 1 . . . . . 23 Met CA . 16780 1 87 . 1 1 23 23 MET CB C 13 31.30251 0.03606 . 1 . . . . . 23 Met CB . 16780 1 88 . 1 1 23 23 MET N N 15 119.05396 0.01815 . 1 . . . . . 23 Met N . 16780 1 89 . 1 1 24 24 SER H H 1 7.99929 0.00692 . 1 . . . . . 24 Ser H . 16780 1 90 . 1 1 24 24 SER HA H 1 5.09174 0 . 1 . . . . . 24 Ser HA . 16780 1 91 . 1 1 24 24 SER C C 13 176.71549 0 . 1 . . . . . 24 Ser C . 16780 1 92 . 1 1 24 24 SER CA C 13 61.02177 0 . 1 . . . . . 24 Ser CA . 16780 1 93 . 1 1 24 24 SER CB C 13 63.17730 0.01323 . 1 . . . . . 24 Ser CB . 16780 1 94 . 1 1 24 24 SER N N 15 117.23338 0.12103 . 1 . . . . . 24 Ser N . 16780 1 95 . 1 1 25 25 HIS H H 1 8.10746 0.00950 . 1 . . . . . 25 His H . 16780 1 96 . 1 1 25 25 HIS C C 13 171.02227 0 . 1 . . . . . 25 His C . 16780 1 97 . 1 1 25 25 HIS CA C 13 54.15798 0.06947 . 1 . . . . . 25 His CA . 16780 1 98 . 1 1 25 25 HIS CB C 13 28.95397 0.09556 . 1 . . . . . 25 His CB . 16780 1 99 . 1 1 25 25 HIS N N 15 119.07038 0.07812 . 1 . . . . . 25 His N . 16780 1 100 . 1 1 26 26 TYR H H 1 7.84354 0.01834 . 1 . . . . . 26 Tyr H . 16780 1 101 . 1 1 26 26 TYR HA H 1 4.64078 0 . 1 . . . . . 26 Tyr HA . 16780 1 102 . 1 1 26 26 TYR C C 13 174.62950 0 . 1 . . . . . 26 Tyr C . 16780 1 103 . 1 1 26 26 TYR CA C 13 55.60402 0.06548 . 1 . . . . . 26 Tyr CA . 16780 1 104 . 1 1 26 26 TYR CB C 13 41.00106 0.00952 . 1 . . . . . 26 Tyr CB . 16780 1 105 . 1 1 26 26 TYR N N 15 125.20910 0.09558 . 1 . . . . . 26 Tyr N . 16780 1 106 . 1 1 27 27 ALA H H 1 9.29881 0.00713 . 1 . . . . . 27 Ala H . 16780 1 107 . 1 1 27 27 ALA C C 13 176.21696 0 . 1 . . . . . 27 Ala C . 16780 1 108 . 1 1 27 27 ALA CA C 13 52.42412 0.03640 . 1 . . . . . 27 Ala CA . 16780 1 109 . 1 1 27 27 ALA CB C 13 20.70568 0.09313 . 1 . . . . . 27 Ala CB . 16780 1 110 . 1 1 27 27 ALA N N 15 129.89029 0.07301 . 1 . . . . . 27 Ala N . 16780 1 111 . 1 1 28 28 GLY H H 1 8.54635 0.01127 . 1 . . . . . 28 Gly H . 16780 1 112 . 1 1 28 28 GLY C C 13 173.07684 0 . 1 . . . . . 28 Gly C . 16780 1 113 . 1 1 28 28 GLY CA C 13 44.94352 0.05460 . 1 . . . . . 28 Gly CA . 16780 1 114 . 1 1 28 28 GLY N N 15 105.06318 0.04301 . 1 . . . . . 28 Gly N . 16780 1 115 . 1 1 29 29 ALA H H 1 9.59062 0.02281 . 1 . . . . . 29 Ala H . 16780 1 116 . 1 1 29 29 ALA C C 13 177.39160 0 . 1 . . . . . 29 Ala C . 16780 1 117 . 1 1 29 29 ALA CA C 13 52.85272 0.04327 . 1 . . . . . 29 Ala CA . 16780 1 118 . 1 1 29 29 ALA CB C 13 18.18024 0.09909 . 1 . . . . . 29 Ala CB . 16780 1 119 . 1 1 29 29 ALA N N 15 129.73063 0.08763 . 1 . . . . . 29 Ala N . 16780 1 120 . 1 1 30 30 VAL H H 1 7.97555 0.00837 . 1 . . . . . 30 Val H . 16780 1 121 . 1 1 30 30 VAL HA H 1 3.59369 0 . 1 . . . . . 30 Val HA . 16780 1 122 . 1 1 30 30 VAL C C 13 172.56972 0 . 1 . . . . . 30 Val C . 16780 1 123 . 1 1 30 30 VAL CA C 13 64.70724 0.02936 . 1 . . . . . 30 Val CA . 16780 1 124 . 1 1 30 30 VAL CB C 13 31.55010 0 . 1 . . . . . 30 Val CB . 16780 1 125 . 1 1 30 30 VAL N N 15 124.65530 0.02831 . 1 . . . . . 30 Val N . 16780 1 126 . 1 1 31 31 GLN H H 1 8.04013 0.00961 . 1 . . . . . 31 Gln H . 16780 1 127 . 1 1 31 31 GLN HA H 1 5.43567 0 . 1 . . . . . 31 Gln HA . 16780 1 128 . 1 1 31 31 GLN C C 13 178.07882 0 . 1 . . . . . 31 Gln C . 16780 1 129 . 1 1 31 31 GLN CA C 13 50.86657 0.08415 . 1 . . . . . 31 Gln CA . 16780 1 130 . 1 1 31 31 GLN CB C 13 30.94692 0 . 1 . . . . . 31 Gln CB . 16780 1 131 . 1 1 31 31 GLN N N 15 122.79696 0.04601 . 1 . . . . . 31 Gln N . 16780 1 132 . 1 1 32 32 ILE H H 1 8.88654 0.00843 . 1 . . . . . 32 Ile H . 16780 1 133 . 1 1 32 32 ILE HA H 1 4.48404 0 . 1 . . . . . 32 Ile HA . 16780 1 134 . 1 1 32 32 ILE C C 13 177.47333 0 . 1 . . . . . 32 Ile C . 16780 1 135 . 1 1 32 32 ILE CA C 13 61.43646 0.00826 . 1 . . . . . 32 Ile CA . 16780 1 136 . 1 1 32 32 ILE CB C 13 40.79722 0 . 1 . . . . . 32 Ile CB . 16780 1 137 . 1 1 32 32 ILE N N 15 119.03875 0.01997 . 1 . . . . . 32 Ile N . 16780 1 138 . 1 1 33 33 VAL H H 1 8.96867 0.01113 . 1 . . . . . 33 Val H . 16780 1 139 . 1 1 33 33 VAL HA H 1 5.75348 0 . 1 . . . . . 33 Val HA . 16780 1 140 . 1 1 33 33 VAL C C 13 175.15418 0 . 1 . . . . . 33 Val C . 16780 1 141 . 1 1 33 33 VAL CA C 13 58.97066 0.07806 . 1 . . . . . 33 Val CA . 16780 1 142 . 1 1 33 33 VAL CB C 13 33.24532 0.03629 . 1 . . . . . 33 Val CB . 16780 1 143 . 1 1 33 33 VAL N N 15 130.16959 0.01064 . 1 . . . . . 33 Val N . 16780 1 144 . 1 1 34 34 THR H H 1 9.52451 0.00828 . 1 . . . . . 34 Thr H . 16780 1 145 . 1 1 34 34 THR HA H 1 5.84212 0 . 1 . . . . . 34 Thr HA . 16780 1 146 . 1 1 34 34 THR C C 13 174.04119 0 . 1 . . . . . 34 Thr C . 16780 1 147 . 1 1 34 34 THR CA C 13 59.44050 0 . 1 . . . . . 34 Thr CA . 16780 1 148 . 1 1 34 34 THR CB C 13 72.09063 0 . 1 . . . . . 34 Thr CB . 16780 1 149 . 1 1 34 34 THR N N 15 115.65006 0.04255 . 1 . . . . . 34 Thr N . 16780 1 150 . 1 1 35 35 THR H H 1 8.27737 0.01273 . 1 . . . . . 35 Thr H . 16780 1 151 . 1 1 35 35 THR C C 13 170.50623 0 . 1 . . . . . 35 Thr C . 16780 1 152 . 1 1 35 35 THR CA C 13 61.47589 0.04287 . 1 . . . . . 35 Thr CA . 16780 1 153 . 1 1 35 35 THR CB C 13 68.92701 0.01422 . 1 . . . . . 35 Thr CB . 16780 1 154 . 1 1 35 35 THR N N 15 111.55888 0.03353 . 1 . . . . . 35 Thr N . 16780 1 155 . 1 1 36 36 ALA H H 1 6.89756 0.00650 . 1 . . . . . 36 Ala H . 16780 1 156 . 1 1 36 36 ALA HA H 1 4.62928 0 . 1 . . . . . 36 Ala HA . 16780 1 157 . 1 1 36 36 ALA C C 13 175.14708 0 . 1 . . . . . 36 Ala C . 16780 1 158 . 1 1 36 36 ALA CA C 13 51.91689 0.05247 . 1 . . . . . 36 Ala CA . 16780 1 159 . 1 1 36 36 ALA CB C 13 21.48698 0.13933 . 1 . . . . . 36 Ala CB . 16780 1 160 . 1 1 36 36 ALA N N 15 123.32573 0.03675 . 1 . . . . . 36 Ala N . 16780 1 161 . 1 1 37 37 GLY H H 1 7.10280 0.00518 . 1 . . . . . 37 Gly H . 16780 1 162 . 1 1 37 37 GLY HA2 H 1 4.08263 0 . 1 . . . . . 37 Gly HA . 16780 1 163 . 1 1 37 37 GLY HA3 H 1 4.08263 0 . 1 . . . . . 37 Gly HA . 16780 1 164 . 1 1 37 37 GLY C C 13 171.31480 0 . 1 . . . . . 37 Gly C . 16780 1 165 . 1 1 37 37 GLY CA C 13 44.42520 0 . 1 . . . . . 37 Gly CA . 16780 1 166 . 1 1 37 37 GLY N N 15 105.74239 0.03029 . 1 . . . . . 37 Gly N . 16780 1 167 . 1 1 38 38 ALA H H 1 8.71261 0.00464 . 1 . . . . . 38 Ala H . 16780 1 168 . 1 1 38 38 ALA C C 13 178.52911 0 . 1 . . . . . 38 Ala C . 16780 1 169 . 1 1 38 38 ALA CA C 13 55.00043 0.07735 . 1 . . . . . 38 Ala CA . 16780 1 170 . 1 1 38 38 ALA CB C 13 18.09033 0 . 1 . . . . . 38 Ala CB . 16780 1 171 . 1 1 38 38 ALA N N 15 124.61318 0.15645 . 1 . . . . . 38 Ala N . 16780 1 172 . 1 1 39 39 ALA H H 1 8.54280 0.00950 . 1 . . . . . 39 Ala H . 16780 1 173 . 1 1 39 39 ALA C C 13 176.69980 0 . 1 . . . . . 39 Ala C . 16780 1 174 . 1 1 39 39 ALA CA C 13 52.07540 0.09899 . 1 . . . . . 39 Ala CA . 16780 1 175 . 1 1 39 39 ALA CB C 13 19.62003 0.14909 . 1 . . . . . 39 Ala CB . 16780 1 176 . 1 1 39 39 ALA N N 15 117.14797 0.04152 . 1 . . . . . 39 Ala N . 16780 1 177 . 1 1 40 40 GLY H H 1 7.36760 0.00727 . 1 . . . . . 40 Gly H . 16780 1 178 . 1 1 40 40 GLY HA2 H 1 4.34776 0 . 2 . . . . . 40 Gly HA . 16780 1 179 . 1 1 40 40 GLY HA3 H 1 4.34776 0 . 2 . . . . . 40 Gly HA . 16780 1 180 . 1 1 40 40 GLY C C 13 171.52366 0 . 1 . . . . . 40 Gly C . 16780 1 181 . 1 1 40 40 GLY CA C 13 43.32250 0.02902 . 1 . . . . . 40 Gly CA . 16780 1 182 . 1 1 40 40 GLY N N 15 105.31473 0.02439 . 1 . . . . . 40 Gly N . 16780 1 183 . 1 1 41 41 ARG H H 1 7.88288 0.00590 . 1 . . . . . 41 Arg H . 16780 1 184 . 1 1 41 41 ARG HA H 1 4.93163 0 . 1 . . . . . 41 Arg HA . 16780 1 185 . 1 1 41 41 ARG C C 13 175.15531 0 . 1 . . . . . 41 Arg C . 16780 1 186 . 1 1 41 41 ARG CA C 13 54.18972 0.04813 . 1 . . . . . 41 Arg CA . 16780 1 187 . 1 1 41 41 ARG CB C 13 32.07360 0.05910 . 1 . . . . . 41 Arg CB . 16780 1 188 . 1 1 41 41 ARG N N 15 118.25224 0.03755 . 1 . . . . . 41 Arg N . 16780 1 189 . 1 1 42 42 ARG H H 1 7.51640 0.00449 . 1 . . . . . 42 Arg H . 16780 1 190 . 1 1 42 42 ARG HA H 1 4.84988 0 . 1 . . . . . 42 Arg HA . 16780 1 191 . 1 1 42 42 ARG C C 13 173.73507 0 . 1 . . . . . 42 Arg C . 16780 1 192 . 1 1 42 42 ARG CA C 13 54.77846 0.06520 . 1 . . . . . 42 Arg CA . 16780 1 193 . 1 1 42 42 ARG CB C 13 33.74030 0.06844 . 1 . . . . . 42 Arg CB . 16780 1 194 . 1 1 42 42 ARG N N 15 125.81692 0.04494 . 1 . . . . . 42 Arg N . 16780 1 195 . 1 1 43 43 GLY H H 1 9.46124 0.00476 . 1 . . . . . 43 Gly H . 16780 1 196 . 1 1 43 43 GLY C C 13 172.20915 0 . 1 . . . . . 43 Gly C . 16780 1 197 . 1 1 43 43 GLY CA C 13 45.30032 0.11239 . 1 . . . . . 43 Gly CA . 16780 1 198 . 1 1 43 43 GLY N N 15 112.36407 0.02432 . 1 . . . . . 43 Gly N . 16780 1 199 . 1 1 44 44 LEU H H 1 8.61799 0.01476 . 1 . . . . . 44 Leu H . 16780 1 200 . 1 1 44 44 LEU C C 13 174.12119 0 . 1 . . . . . 44 Leu C . 16780 1 201 . 1 1 44 44 LEU CA C 13 55.85010 0.03863 . 1 . . . . . 44 Leu CA . 16780 1 202 . 1 1 44 44 LEU CB C 13 44.39297 0.10825 . 1 . . . . . 44 Leu CB . 16780 1 203 . 1 1 44 44 LEU N N 15 115.47582 0.14332 . 1 . . . . . 44 Leu N . 16780 1 204 . 1 1 45 45 THR H H 1 7.13334 0.01067 . 1 . . . . . 45 Thr H . 16780 1 205 . 1 1 45 45 THR C C 13 173.13222 0 . 1 . . . . . 45 Thr C . 16780 1 206 . 1 1 45 45 THR CA C 13 62.64291 0.03984 . 1 . . . . . 45 Thr CA . 16780 1 207 . 1 1 45 45 THR CB C 13 67.78914 0 . 1 . . . . . 45 Thr CB . 16780 1 208 . 1 1 45 45 THR N N 15 121.79113 0.04075 . 1 . . . . . 45 Thr N . 16780 1 209 . 1 1 46 46 LEU H H 1 8.80288 0.01104 . 1 . . . . . 46 Leu H . 16780 1 210 . 1 1 46 46 LEU HA H 1 5.21318 0 . 1 . . . . . 46 Leu HA . 16780 1 211 . 1 1 46 46 LEU C C 13 174.64795 0 . 1 . . . . . 46 Leu C . 16780 1 212 . 1 1 46 46 LEU CA C 13 54.94376 0.03339 . 1 . . . . . 46 Leu CA . 16780 1 213 . 1 1 46 46 LEU CB C 13 47.10709 0.05120 . 1 . . . . . 46 Leu CB . 16780 1 214 . 1 1 46 46 LEU N N 15 130.18910 0.04101 . 1 . . . . . 46 Leu N . 16780 1 215 . 1 1 47 47 THR H H 1 7.55126 0.01749 . 1 . . . . . 47 Thr H . 16780 1 216 . 1 1 47 47 THR HA H 1 4.65428 0 . 1 . . . . . 47 Thr HA . 16780 1 217 . 1 1 47 47 THR C C 13 175.45064 0 . 1 . . . . . 47 Thr C . 16780 1 218 . 1 1 47 47 THR CA C 13 61.78514 0.07448 . 1 . . . . . 47 Thr CA . 16780 1 219 . 1 1 47 47 THR CB C 13 70.30799 0 . 1 . . . . . 47 Thr CB . 16780 1 220 . 1 1 47 47 THR N N 15 110.67121 0.04645 . 1 . . . . . 47 Thr N . 16780 1 221 . 1 1 48 48 ALA H H 1 7.65971 0.02185 . 1 . . . . . 48 Ala H . 16780 1 222 . 1 1 48 48 ALA C C 13 172.56332 0 . 1 . . . . . 48 Ala C . 16780 1 223 . 1 1 48 48 ALA CA C 13 52.75073 0.02888 . 1 . . . . . 48 Ala CA . 16780 1 224 . 1 1 48 48 ALA CB C 13 16.75690 0.06540 . 1 . . . . . 48 Ala CB . 16780 1 225 . 1 1 48 48 ALA N N 15 129.18739 0.11871 . 1 . . . . . 48 Ala N . 16780 1 226 . 1 1 49 49 ALA H H 1 7.64313 0.01003 . 1 . . . . . 49 Ala H . 16780 1 227 . 1 1 49 49 ALA HA H 1 5.04214 0 . 1 . . . . . 49 Ala HA . 16780 1 228 . 1 1 49 49 ALA C C 13 176.48362 0 . 1 . . . . . 49 Ala C . 16780 1 229 . 1 1 49 49 ALA CA C 13 50.52780 0.02659 . 1 . . . . . 49 Ala CA . 16780 1 230 . 1 1 49 49 ALA CB C 13 23.71977 0.05617 . 1 . . . . . 49 Ala CB . 16780 1 231 . 1 1 49 49 ALA N N 15 126.20000 0.05632 . 1 . . . . . 49 Ala N . 16780 1 232 . 1 1 50 50 CYS H H 1 7.82429 0.01587 . 1 . . . . . 50 Cys H . 16780 1 233 . 1 1 50 50 CYS C C 13 172.29201 0 . 1 . . . . . 50 Cys C . 16780 1 234 . 1 1 50 50 CYS CA C 13 57.28317 0.04161 . 1 . . . . . 50 Cys CA . 16780 1 235 . 1 1 50 50 CYS CB C 13 30.34546 0.07549 . 1 . . . . . 50 Cys CB . 16780 1 236 . 1 1 50 50 CYS N N 15 111.79678 0.07983 . 1 . . . . . 50 Cys N . 16780 1 237 . 1 1 51 51 SER H H 1 8.63471 0.01011 . 1 . . . . . 51 Ser H . 16780 1 238 . 1 1 51 51 SER HA H 1 5.22400 0 . 1 . . . . . 51 Ser HA . 16780 1 239 . 1 1 51 51 SER C C 13 174.61708 0 . 1 . . . . . 51 Ser C . 16780 1 240 . 1 1 51 51 SER CA C 13 58.14128 0.04406 . 1 . . . . . 51 Ser CA . 16780 1 241 . 1 1 51 51 SER CB C 13 62.31975 0 . 1 . . . . . 51 Ser CB . 16780 1 242 . 1 1 51 51 SER N N 15 115.63247 0.02874 . 1 . . . . . 51 Ser N . 16780 1 243 . 1 1 52 52 VAL H H 1 8.86811 0.01762 . 1 . . . . . 52 Val H . 16780 1 244 . 1 1 52 52 VAL HA H 1 3.96577 0 . 1 . . . . . 52 Val HA . 16780 1 245 . 1 1 52 52 VAL C C 13 176.68570 0 . 1 . . . . . 52 Val C . 16780 1 246 . 1 1 52 52 VAL CA C 13 63.12432 0.03468 . 1 . . . . . 52 Val CA . 16780 1 247 . 1 1 52 52 VAL CB C 13 33.21316 0 . 1 . . . . . 52 Val CB . 16780 1 248 . 1 1 52 52 VAL N N 15 129.12164 0.03245 . 1 . . . . . 52 Val N . 16780 1 249 . 1 1 53 53 SER H H 1 7.32799 0.01532 . 1 . . . . . 53 Ser H . 16780 1 250 . 1 1 53 53 SER HA H 1 4.20075 0 . 1 . . . . . 53 Ser HA . 16780 1 251 . 1 1 53 53 SER C C 13 172.29582 0 . 1 . . . . . 53 Ser C . 16780 1 252 . 1 1 53 53 SER CA C 13 56.25402 1.53288e-04 . 1 . . . . . 53 Ser CA . 16780 1 253 . 1 1 53 53 SER CB C 13 65.29737 0.05642 . 1 . . . . . 53 Ser CB . 16780 1 254 . 1 1 53 53 SER N N 15 106.09546 0.08732 . 1 . . . . . 53 Ser N . 16780 1 255 . 1 1 54 54 ASP H H 1 7.65558 0.01315 . 1 . . . . . 54 Asp H . 16780 1 256 . 1 1 54 54 ASP HA H 1 4.17726 0 . 1 . . . . . 54 Asp HA . 16780 1 257 . 1 1 54 54 ASP C C 13 175.62419 0 . 1 . . . . . 54 Asp C . 16780 1 258 . 1 1 54 54 ASP CA C 13 52.23490 0.00613 . 1 . . . . . 54 Asp CA . 16780 1 259 . 1 1 54 54 ASP CB C 13 41.04324 0 . 1 . . . . . 54 Asp CB . 16780 1 260 . 1 1 54 54 ASP N N 15 120.15504 0.05867 . 1 . . . . . 54 Asp N . 16780 1 261 . 1 1 55 55 ASN H H 1 8.50658 0.00804 . 1 . . . . . 55 Asn H . 16780 1 262 . 1 1 55 55 ASN HA H 1 4.62602 0 . 1 . . . . . 55 Asn HA . 16780 1 263 . 1 1 55 55 ASN CA C 13 51.73720 0 . 1 . . . . . 55 Asn CA . 16780 1 264 . 1 1 55 55 ASN CB C 13 38.81711 0 . 1 . . . . . 55 Asn CB . 16780 1 265 . 1 1 55 55 ASN N N 15 117.76785 0.03501 . 1 . . . . . 55 Asn N . 16780 1 266 . 1 1 57 57 PRO C C 13 179.80890 0 . 1 . . . . . 57 Pro C . 16780 1 267 . 1 1 57 57 PRO CA C 13 63.76458 0 . 1 . . . . . 57 Pro CA . 16780 1 268 . 1 1 57 57 PRO CB C 13 30.38460 0.06597 . 1 . . . . . 57 Pro CB . 16780 1 269 . 1 1 58 58 THR H H 1 8.39679 0.01732 . 1 . . . . . 58 Thr H . 16780 1 270 . 1 1 58 58 THR HA H 1 4.61201 0 . 1 . . . . . 58 Thr HA . 16780 1 271 . 1 1 58 58 THR C C 13 173.13198 0 . 1 . . . . . 58 Thr C . 16780 1 272 . 1 1 58 58 THR CA C 13 61.94696 0 . 1 . . . . . 58 Thr CA . 16780 1 273 . 1 1 58 58 THR CB C 13 73.45353 0 . 1 . . . . . 58 Thr CB . 16780 1 274 . 1 1 58 58 THR N N 15 123.91886 0.06529 . 1 . . . . . 58 Thr N . 16780 1 275 . 1 1 59 59 ILE CA C 13 59.61677 0 . 1 . . . . . 59 Ile CA . 16780 1 276 . 1 1 59 59 ILE CB C 13 42.98045 0.02812 . 1 . . . . . 59 Ile CB . 16780 1 277 . 1 1 60 60 LEU H H 1 8.31984 0.01593 . 1 . . . . . 60 Leu H . 16780 1 278 . 1 1 60 60 LEU C C 13 175.40615 0 . 1 . . . . . 60 Leu C . 16780 1 279 . 1 1 60 60 LEU CA C 13 52.41914 0.05704 . 1 . . . . . 60 Leu CA . 16780 1 280 . 1 1 60 60 LEU CB C 13 44.74686 0.07877 . 1 . . . . . 60 Leu CB . 16780 1 281 . 1 1 60 60 LEU N N 15 125.52659 0.19084 . 1 . . . . . 60 Leu N . 16780 1 282 . 1 1 61 61 ILE H H 1 8.06810 0.01097 . 1 . . . . . 61 Ile H . 16780 1 283 . 1 1 61 61 ILE HA H 1 5.07746 0 . 1 . . . . . 61 Ile HA . 16780 1 284 . 1 1 61 61 ILE C C 13 174.92598 0 . 1 . . . . . 61 Ile C . 16780 1 285 . 1 1 61 61 ILE CA C 13 59.01153 0.06090 . 1 . . . . . 61 Ile CA . 16780 1 286 . 1 1 61 61 ILE CB C 13 42.50512 0.08435 . 1 . . . . . 61 Ile CB . 16780 1 287 . 1 1 61 61 ILE N N 15 110.41016 0.08812 . 1 . . . . . 61 Ile N . 16780 1 288 . 1 1 62 62 CYS H H 1 7.71184 0.01266 . 1 . . . . . 62 Cys H . 16780 1 289 . 1 1 62 62 CYS HA H 1 5.52674 0 . 1 . . . . . 62 Cys HA . 16780 1 290 . 1 1 62 62 CYS C C 13 174.89130 0 . 1 . . . . . 62 Cys C . 16780 1 291 . 1 1 62 62 CYS CA C 13 56.51619 0.06985 . 1 . . . . . 62 Cys CA . 16780 1 292 . 1 1 62 62 CYS CB C 13 29.11296 0.06308 . 1 . . . . . 62 Cys CB . 16780 1 293 . 1 1 62 62 CYS N N 15 117.84442 0.02828 . 1 . . . . . 62 Cys N . 16780 1 294 . 1 1 63 63 LEU H H 1 9.19551 0.00973 . 1 . . . . . 63 Leu H . 16780 1 295 . 1 1 63 63 LEU HA H 1 5.21741 0 . 1 . . . . . 63 Leu HA . 16780 1 296 . 1 1 63 63 LEU C C 13 176.92459 0 . 1 . . . . . 63 Leu C . 16780 1 297 . 1 1 63 63 LEU CA C 13 52.25792 0.05510 . 1 . . . . . 63 Leu CA . 16780 1 298 . 1 1 63 63 LEU CB C 13 46.09124 0.04192 . 1 . . . . . 63 Leu CB . 16780 1 299 . 1 1 63 63 LEU N N 15 123.24943 0.03696 . 1 . . . . . 63 Leu N . 16780 1 300 . 1 1 64 64 GLN H H 1 8.41657 0.01490 . 1 . . . . . 64 Gln H . 16780 1 301 . 1 1 64 64 GLN C C 13 177.95712 0 . 1 . . . . . 64 Gln C . 16780 1 302 . 1 1 64 64 GLN CA C 13 57.70245 0.08561 . 1 . . . . . 64 Gln CA . 16780 1 303 . 1 1 64 64 GLN CB C 13 28.68748 0 . 1 . . . . . 64 Gln CB . 16780 1 304 . 1 1 64 64 GLN N N 15 122.89798 0.01125 . 1 . . . . . 64 Gln N . 16780 1 305 . 1 1 65 65 LYS H H 1 8.68200 0.00870 . 1 . . . . . 65 Lys H . 16780 1 306 . 1 1 65 65 LYS C C 13 178.82452 0 . 1 . . . . . 65 Lys C . 16780 1 307 . 1 1 65 65 LYS CA C 13 58.38610 0.15049 . 1 . . . . . 65 Lys CA . 16780 1 308 . 1 1 65 65 LYS CB C 13 32.54199 0.03687 . 1 . . . . . 65 Lys CB . 16780 1 309 . 1 1 65 65 LYS N N 15 123.19549 0.02000 . 1 . . . . . 65 Lys N . 16780 1 310 . 1 1 66 66 ILE H H 1 7.85238 0.00404 . 1 . . . . . 66 Ile H . 16780 1 311 . 1 1 66 66 ILE C C 13 175.39438 0 . 1 . . . . . 66 Ile C . 16780 1 312 . 1 1 66 66 ILE CA C 13 62.68809 0.07948 . 1 . . . . . 66 Ile CA . 16780 1 313 . 1 1 66 66 ILE CB C 13 38.25889 0.01936 . 1 . . . . . 66 Ile CB . 16780 1 314 . 1 1 66 66 ILE N N 15 114.17327 0.04950 . 1 . . . . . 66 Ile N . 16780 1 315 . 1 1 67 67 HIS H H 1 6.13690 0.01399 . 1 . . . . . 67 His H . 16780 1 316 . 1 1 67 67 HIS HA H 1 4.87427 0 . 1 . . . . . 67 His HA . 16780 1 317 . 1 1 67 67 HIS CA C 13 54.67903 0 . 1 . . . . . 67 His CA . 16780 1 318 . 1 1 67 67 HIS N N 15 117.90155 0.23113 . 1 . . . . . 67 His N . 16780 1 319 . 1 1 70 70 ASN C C 13 175.92711 0 . 1 . . . . . 70 Asn C . 16780 1 320 . 1 1 71 71 ARG H H 1 8.09713 0.01114 . 1 . . . . . 71 Arg H . 16780 1 321 . 1 1 71 71 ARG HA H 1 3.84906 0 . 1 . . . . . 71 Arg HA . 16780 1 322 . 1 1 71 71 ARG C C 13 177.73154 0 . 1 . . . . . 71 Arg C . 16780 1 323 . 1 1 71 71 ARG CA C 13 59.02386 0.09162 . 1 . . . . . 71 Arg CA . 16780 1 324 . 1 1 71 71 ARG CB C 13 29.62860 0.09777 . 1 . . . . . 71 Arg CB . 16780 1 325 . 1 1 71 71 ARG N N 15 119.96678 0.08051 . 1 . . . . . 71 Arg N . 16780 1 326 . 1 1 72 72 ILE H H 1 7.93342 0.00947 . 1 . . . . . 72 Ile H . 16780 1 327 . 1 1 72 72 ILE HA H 1 3.39446 0 . 1 . . . . . 72 Ile HA . 16780 1 328 . 1 1 72 72 ILE C C 13 177.49410 0 . 1 . . . . . 72 Ile C . 16780 1 329 . 1 1 72 72 ILE CA C 13 65.75299 0.05523 . 1 . . . . . 72 Ile CA . 16780 1 330 . 1 1 72 72 ILE CB C 13 38.62330 0.04859 . 1 . . . . . 72 Ile CB . 16780 1 331 . 1 1 72 72 ILE N N 15 120.30701 0.01310 . 1 . . . . . 72 Ile N . 16780 1 332 . 1 1 73 73 PHE H H 1 7.26646 0.00734 . 1 . . . . . 73 Phe H . 16780 1 333 . 1 1 73 73 PHE HA H 1 3.93383 0 . 1 . . . . . 73 Phe HA . 16780 1 334 . 1 1 73 73 PHE C C 13 176.97241 0 . 1 . . . . . 73 Phe C . 16780 1 335 . 1 1 73 73 PHE CA C 13 62.46555 0.04714 . 1 . . . . . 73 Phe CA . 16780 1 336 . 1 1 73 73 PHE CB C 13 40.24310 0.02761 . 1 . . . . . 73 Phe CB . 16780 1 337 . 1 1 73 73 PHE N N 15 115.32347 0.02057 . 1 . . . . . 73 Phe N . 16780 1 338 . 1 1 74 74 ILE H H 1 6.54567 0.00922 . 1 . . . . . 74 Ile H . 16780 1 339 . 1 1 74 74 ILE HA H 1 3.35563 0 . 1 . . . . . 74 Ile HA . 16780 1 340 . 1 1 74 74 ILE C C 13 178.26966 0 . 1 . . . . . 74 Ile C . 16780 1 341 . 1 1 74 74 ILE CA C 13 64.98983 0.05002 . 1 . . . . . 74 Ile CA . 16780 1 342 . 1 1 74 74 ILE CB C 13 38.90747 0.08794 . 1 . . . . . 74 Ile CB . 16780 1 343 . 1 1 74 74 ILE N N 15 116.30604 0.03691 . 1 . . . . . 74 Ile N . 16780 1 344 . 1 1 75 75 GLU H H 1 7.91736 0.00648 . 1 . . . . . 75 Glu H . 16780 1 345 . 1 1 75 75 GLU HA H 1 3.85777 0 . 1 . . . . . 75 Glu HA . 16780 1 346 . 1 1 75 75 GLU C C 13 179.04040 0 . 1 . . . . . 75 Glu C . 16780 1 347 . 1 1 75 75 GLU CA C 13 58.95628 0.03475 . 1 . . . . . 75 Glu CA . 16780 1 348 . 1 1 75 75 GLU CB C 13 29.94933 0.04155 . 1 . . . . . 75 Glu CB . 16780 1 349 . 1 1 75 75 GLU N N 15 118.20997 0.04865 . 1 . . . . . 75 Glu N . 16780 1 350 . 1 1 76 76 ASN H H 1 8.20728 0.00944 . 1 . . . . . 76 Asn H . 16780 1 351 . 1 1 76 76 ASN HA H 1 4.58057 0 . 1 . . . . . 76 Asn HA . 16780 1 352 . 1 1 76 76 ASN C C 13 178.23511 0 . 1 . . . . . 76 Asn C . 16780 1 353 . 1 1 76 76 ASN CA C 13 54.43600 0.09058 . 1 . . . . . 76 Asn CA . 16780 1 354 . 1 1 76 76 ASN CB C 13 38.04370 0.08530 . 1 . . . . . 76 Asn CB . 16780 1 355 . 1 1 76 76 ASN N N 15 115.36867 0.02723 . 1 . . . . . 76 Asn N . 16780 1 356 . 1 1 77 77 GLY H H 1 7.64925 0.00618 . 1 . . . . . 77 Gly H . 16780 1 357 . 1 1 77 77 GLY HA2 H 1 4.11212 0 . 2 . . . . . 77 Gly HA . 16780 1 358 . 1 1 77 77 GLY HA3 H 1 4.11212 0 . 2 . . . . . 77 Gly HA . 16780 1 359 . 1 1 77 77 GLY C C 13 173.60588 0 . 1 . . . . . 77 Gly C . 16780 1 360 . 1 1 77 77 GLY CA C 13 46.45762 0.05457 . 1 . . . . . 77 Gly CA . 16780 1 361 . 1 1 77 77 GLY N N 15 105.31828 0.05154 . 1 . . . . . 77 Gly N . 16780 1 362 . 1 1 78 78 VAL H H 1 7.18111 0.00622 . 1 . . . . . 78 Val H . 16780 1 363 . 1 1 78 78 VAL HA H 1 5.23022 0 . 1 . . . . . 78 Val HA . 16780 1 364 . 1 1 78 78 VAL C C 13 174.12097 0 . 1 . . . . . 78 Val C . 16780 1 365 . 1 1 78 78 VAL CA C 13 58.46241 0.03607 . 1 . . . . . 78 Val CA . 16780 1 366 . 1 1 78 78 VAL CB C 13 36.42285 0.09189 . 1 . . . . . 78 Val CB . 16780 1 367 . 1 1 78 78 VAL N N 15 110.06434 0.05595 . 1 . . . . . 78 Val N . 16780 1 368 . 1 1 79 79 PHE H H 1 8.73638 0.01002 . 1 . . . . . 79 Phe H . 16780 1 369 . 1 1 79 79 PHE HA H 1 5.57648 0 . 1 . . . . . 79 Phe HA . 16780 1 370 . 1 1 79 79 PHE C C 13 170.87039 0 . 1 . . . . . 79 Phe C . 16780 1 371 . 1 1 79 79 PHE CA C 13 56.99779 0.09220 . 1 . . . . . 79 Phe CA . 16780 1 372 . 1 1 79 79 PHE CB C 13 41.07752 0.04652 . 1 . . . . . 79 Phe CB . 16780 1 373 . 1 1 79 79 PHE N N 15 117.63474 0.05221 . 1 . . . . . 79 Phe N . 16780 1 374 . 1 1 80 80 ALA H H 1 9.09164 0.00969 . 1 . . . . . 80 Ala H . 16780 1 375 . 1 1 80 80 ALA HA H 1 5.74693 0 . 1 . . . . . 80 Ala HA . 16780 1 376 . 1 1 80 80 ALA C C 13 176.71863 0 . 1 . . . . . 80 Ala C . 16780 1 377 . 1 1 80 80 ALA CA C 13 50.02912 0.05835 . 1 . . . . . 80 Ala CA . 16780 1 378 . 1 1 80 80 ALA CB C 13 20.71895 0.05101 . 1 . . . . . 80 Ala CB . 16780 1 379 . 1 1 80 80 ALA N N 15 120.67263 0.04556 . 1 . . . . . 80 Ala N . 16780 1 380 . 1 1 81 81 ILE H H 1 9.17132 0.00756 . 1 . . . . . 81 Ile H . 16780 1 381 . 1 1 81 81 ILE HA H 1 4.46794 0 . 1 . . . . . 81 Ile HA . 16780 1 382 . 1 1 81 81 ILE C C 13 174.10730 0 . 1 . . . . . 81 Ile C . 16780 1 383 . 1 1 81 81 ILE CA C 13 60.56903 0.01472 . 1 . . . . . 81 Ile CA . 16780 1 384 . 1 1 81 81 ILE CB C 13 40.54271 0.08515 . 1 . . . . . 81 Ile CB . 16780 1 385 . 1 1 81 81 ILE N N 15 120.01128 0.03445 . 1 . . . . . 81 Ile N . 16780 1 386 . 1 1 82 82 ASN H H 1 8.13699 0.01030 . 1 . . . . . 82 Asn H . 16780 1 387 . 1 1 82 82 ASN HA H 1 5.28231 0 . 1 . . . . . 82 Asn HA . 16780 1 388 . 1 1 82 82 ASN C C 13 172.57288 0 . 1 . . . . . 82 Asn C . 16780 1 389 . 1 1 82 82 ASN CA C 13 52.66875 0.02171 . 1 . . . . . 82 Asn CA . 16780 1 390 . 1 1 82 82 ASN CB C 13 41.84377 0.01414 . 1 . . . . . 82 Asn CB . 16780 1 391 . 1 1 82 82 ASN N N 15 124.71483 0.03805 . 1 . . . . . 82 Asn N . 16780 1 392 . 1 1 83 83 THR H H 1 9.48324 0.01106 . 1 . . . . . 83 Thr H . 16780 1 393 . 1 1 83 83 THR HA H 1 4.77145 0 . 1 . . . . . 83 Thr HA . 16780 1 394 . 1 1 83 83 THR C C 13 175.60896 0 . 1 . . . . . 83 Thr C . 16780 1 395 . 1 1 83 83 THR CA C 13 63.89464 0.01403 . 1 . . . . . 83 Thr CA . 16780 1 396 . 1 1 83 83 THR CB C 13 68.28016 0.03813 . 1 . . . . . 83 Thr CB . 16780 1 397 . 1 1 83 83 THR N N 15 125.37331 0.04702 . 1 . . . . . 83 Thr N . 16780 1 398 . 1 1 84 84 LEU H H 1 8.29507 0.00713 . 1 . . . . . 84 Leu H . 16780 1 399 . 1 1 84 84 LEU HA H 1 4.10344 0 . 1 . . . . . 84 Leu HA . 16780 1 400 . 1 1 84 84 LEU C C 13 176.54840 0 . 1 . . . . . 84 Leu C . 16780 1 401 . 1 1 84 84 LEU CA C 13 55.43214 0.01172 . 1 . . . . . 84 Leu CA . 16780 1 402 . 1 1 84 84 LEU CB C 13 42.67062 0.08953 . 1 . . . . . 84 Leu CB . 16780 1 403 . 1 1 84 84 LEU N N 15 125.79718 0.02926 . 1 . . . . . 84 Leu N . 16780 1 404 . 1 1 85 85 ALA H H 1 10.70730 0.01174 . 1 . . . . . 85 Ala H . 16780 1 405 . 1 1 85 85 ALA HA H 1 5.11786 0 . 1 . . . . . 85 Ala HA . 16780 1 406 . 1 1 85 85 ALA C C 13 177.70937 0 . 1 . . . . . 85 Ala C . 16780 1 407 . 1 1 85 85 ALA CA C 13 49.79487 0.15461 . 1 . . . . . 85 Ala CA . 16780 1 408 . 1 1 85 85 ALA CB C 13 22.99889 0.25589 . 1 . . . . . 85 Ala CB . 16780 1 409 . 1 1 85 85 ALA N N 15 125.71761 0.07710 . 1 . . . . . 85 Ala N . 16780 1 410 . 1 1 86 86 GLY H H 1 7.74995 0.01222 . 1 . . . . . 86 Gly H . 16780 1 411 . 1 1 86 86 GLY HA2 H 1 3.44504 0 . 2 . . . . . 86 Gly HA . 16780 1 412 . 1 1 86 86 GLY HA3 H 1 3.44504 0 . 2 . . . . . 86 Gly HA . 16780 1 413 . 1 1 86 86 GLY CA C 13 48.83039 0 . 1 . . . . . 86 Gly CA . 16780 1 414 . 1 1 86 86 GLY N N 15 105.53625 0.03588 . 1 . . . . . 86 Gly N . 16780 1 415 . 1 1 87 87 PRO C C 13 175.62495 0 . 1 . . . . . 87 Pro C . 16780 1 416 . 1 1 87 87 PRO CA C 13 63.97941 0.03319 . 1 . . . . . 87 Pro CA . 16780 1 417 . 1 1 87 87 PRO CB C 13 31.93778 0.02913 . 1 . . . . . 87 Pro CB . 16780 1 418 . 1 1 88 88 HIS H H 1 7.71938 0.01123 . 1 . . . . . 88 His H . 16780 1 419 . 1 1 88 88 HIS HA H 1 4.78364 0 . 1 . . . . . 88 His HA . 16780 1 420 . 1 1 88 88 HIS C C 13 175.46670 0 . 1 . . . . . 88 His C . 16780 1 421 . 1 1 88 88 HIS CA C 13 56.33519 0.01745 . 1 . . . . . 88 His CA . 16780 1 422 . 1 1 88 88 HIS CB C 13 32.95041 0.01691 . 1 . . . . . 88 His CB . 16780 1 423 . 1 1 88 88 HIS N N 15 116.43768 0.02219 . 1 . . . . . 88 His N . 16780 1 424 . 1 1 89 89 GLN H H 1 7.51004 0.00877 . 1 . . . . . 89 Gln H . 16780 1 425 . 1 1 89 89 GLN C C 13 178.05317 0 . 1 . . . . . 89 Gln C . 16780 1 426 . 1 1 89 89 GLN CA C 13 60.76018 0.03236 . 1 . . . . . 89 Gln CA . 16780 1 427 . 1 1 89 89 GLN CB C 13 27.84034 0.01603 . 1 . . . . . 89 Gln CB . 16780 1 428 . 1 1 89 89 GLN N N 15 121.66113 0.04864 . 1 . . . . . 89 Gln N . 16780 1 429 . 1 1 90 90 GLN H H 1 8.47262 0.00968 . 1 . . . . . 90 Gln H . 16780 1 430 . 1 1 90 90 GLN HA H 1 4.70757 0 . 1 . . . . . 90 Gln HA . 16780 1 431 . 1 1 90 90 GLN C C 13 178.76560 0 . 1 . . . . . 90 Gln C . 16780 1 432 . 1 1 90 90 GLN CA C 13 59.44284 0.00218 . 1 . . . . . 90 Gln CA . 16780 1 433 . 1 1 90 90 GLN CB C 13 27.73327 0.05212 . 1 . . . . . 90 Gln CB . 16780 1 434 . 1 1 90 90 GLN N N 15 116.99551 0.10693 . 1 . . . . . 90 Gln N . 16780 1 435 . 1 1 91 91 LEU H H 1 7.36900 0.00610 . 1 . . . . . 91 Leu H . 16780 1 436 . 1 1 91 91 LEU HA H 1 3.93051 0 . 1 . . . . . 91 Leu HA . 16780 1 437 . 1 1 91 91 LEU C C 13 178.52427 0 . 1 . . . . . 91 Leu C . 16780 1 438 . 1 1 91 91 LEU CA C 13 57.30073 0.07707 . 1 . . . . . 91 Leu CA . 16780 1 439 . 1 1 91 91 LEU CB C 13 42.18322 0.04795 . 1 . . . . . 91 Leu CB . 16780 1 440 . 1 1 91 91 LEU N N 15 120.25179 0.03390 . 1 . . . . . 91 Leu N . 16780 1 441 . 1 1 92 92 ALA H H 1 7.79603 0.00751 . 1 . . . . . 92 Ala H . 16780 1 442 . 1 1 92 92 ALA C C 13 181.16705 0 . 1 . . . . . 92 Ala C . 16780 1 443 . 1 1 92 92 ALA CA C 13 54.40675 0.00862 . 1 . . . . . 92 Ala CA . 16780 1 444 . 1 1 92 92 ALA CB C 13 17.75828 0.08666 . 1 . . . . . 92 Ala CB . 16780 1 445 . 1 1 92 92 ALA N N 15 121.50108 0.04534 . 1 . . . . . 92 Ala N . 16780 1 446 . 1 1 93 93 ASP H H 1 7.83809 0.01333 . 1 . . . . . 93 Asp H . 16780 1 447 . 1 1 93 93 ASP HA H 1 4.52897 0 . 1 . . . . . 93 Asp HA . 16780 1 448 . 1 1 93 93 ASP C C 13 175.50290 0 . 1 . . . . . 93 Asp C . 16780 1 449 . 1 1 93 93 ASP CA C 13 56.85312 0.04741 . 1 . . . . . 93 Asp CA . 16780 1 450 . 1 1 93 93 ASP CB C 13 40.84349 0.02380 . 1 . . . . . 93 Asp CB . 16780 1 451 . 1 1 93 93 ASP N N 15 118.14840 0.03929 . 1 . . . . . 93 Asp N . 16780 1 452 . 1 1 94 94 ALA H H 1 8.40294 0.00744 . 1 . . . . . 94 Ala H . 16780 1 453 . 1 1 94 94 ALA C C 13 180.90030 0 . 1 . . . . . 94 Ala C . 16780 1 454 . 1 1 94 94 ALA CA C 13 55.11393 0.00880 . 1 . . . . . 94 Ala CA . 16780 1 455 . 1 1 94 94 ALA CB C 13 18.91048 0.14270 . 1 . . . . . 94 Ala CB . 16780 1 456 . 1 1 94 94 ALA N N 15 123.77817 0.07177 . 1 . . . . . 94 Ala N . 16780 1 457 . 1 1 95 95 PHE H H 1 8.46506 0.01536 . 1 . . . . . 95 Phe H . 16780 1 458 . 1 1 95 95 PHE HA H 1 4.11005 0 . 1 . . . . . 95 Phe HA . 16780 1 459 . 1 1 95 95 PHE C C 13 175.43133 0 . 1 . . . . . 95 Phe C . 16780 1 460 . 1 1 95 95 PHE CA C 13 61.34364 0.01768 . 1 . . . . . 95 Phe CA . 16780 1 461 . 1 1 95 95 PHE CB C 13 38.23380 0.05138 . 1 . . . . . 95 Phe CB . 16780 1 462 . 1 1 95 95 PHE N N 15 114.23212 0.03600 . 1 . . . . . 95 Phe N . 16780 1 463 . 1 1 96 96 SER H H 1 7.63661 0.01266 . 1 . . . . . 96 Ser H . 16780 1 464 . 1 1 96 96 SER HA H 1 5.31672 0 . 1 . . . . . 96 Ser HA . 16780 1 465 . 1 1 96 96 SER C C 13 176.15060 0 . 1 . . . . . 96 Ser C . 16780 1 466 . 1 1 96 96 SER CA C 13 58.52606 0.01566 . 1 . . . . . 96 Ser CA . 16780 1 467 . 1 1 96 96 SER CB C 13 65.86165 0.05072 . 1 . . . . . 96 Ser CB . 16780 1 468 . 1 1 96 96 SER N N 15 114.22792 0.05420 . 1 . . . . . 96 Ser N . 16780 1 469 . 1 1 97 97 GLY H H 1 7.50495 0.01824 . 1 . . . . . 97 Gly H . 16780 1 470 . 1 1 97 97 GLY C C 13 175.94663 0 . 1 . . . . . 97 Gly C . 16780 1 471 . 1 1 97 97 GLY CA C 13 46.89471 0.05295 . 1 . . . . . 97 Gly CA . 16780 1 472 . 1 1 97 97 GLY N N 15 110.36030 0.14169 . 1 . . . . . 97 Gly N . 16780 1 473 . 1 1 98 98 ARG H H 1 7.71098 0.00496 . 1 . . . . . 98 Arg H . 16780 1 474 . 1 1 98 98 ARG HA H 1 3.82382 0 . 1 . . . . . 98 Arg HA . 16780 1 475 . 1 1 98 98 ARG C C 13 176.95336 0 . 1 . . . . . 98 Arg C . 16780 1 476 . 1 1 98 98 ARG CA C 13 58.55183 0.00204 . 1 . . . . . 98 Arg CA . 16780 1 477 . 1 1 98 98 ARG CB C 13 31.77964 0.10363 . 1 . . . . . 98 Arg CB . 16780 1 478 . 1 1 98 98 ARG N N 15 118.84027 0.01707 . 1 . . . . . 98 Arg N . 16780 1 479 . 1 1 99 99 ILE H H 1 7.74645 0.01444 . 1 . . . . . 99 Ile H . 16780 1 480 . 1 1 99 99 ILE C C 13 175.99658 0 . 1 . . . . . 99 Ile C . 16780 1 481 . 1 1 99 99 ILE CA C 13 59.96903 0.01873 . 1 . . . . . 99 Ile CA . 16780 1 482 . 1 1 99 99 ILE CB C 13 38.67666 0.01972 . 1 . . . . . 99 Ile CB . 16780 1 483 . 1 1 99 99 ILE N N 15 110.48722 0.02031 . 1 . . . . . 99 Ile N . 16780 1 484 . 1 1 100 100 GLY H H 1 7.33262 0.01124 . 1 . . . . . 100 Gly H . 16780 1 485 . 1 1 100 100 GLY C C 13 174.70420 0 . 1 . . . . . 100 Gly C . 16780 1 486 . 1 1 100 100 GLY CA C 13 46.70439 0.03979 . 1 . . . . . 100 Gly CA . 16780 1 487 . 1 1 100 100 GLY N N 15 108.84286 0.03389 . 1 . . . . . 100 Gly N . 16780 1 488 . 1 1 101 101 LEU H H 1 7.53827 0.01316 . 1 . . . . . 101 Leu H . 16780 1 489 . 1 1 101 101 LEU C C 13 178.51384 0 . 1 . . . . . 101 Leu C . 16780 1 490 . 1 1 101 101 LEU CA C 13 55.32770 0.04146 . 1 . . . . . 101 Leu CA . 16780 1 491 . 1 1 101 101 LEU CB C 13 42.80646 0.06530 . 1 . . . . . 101 Leu CB . 16780 1 492 . 1 1 101 101 LEU N N 15 118.20859 0.08355 . 1 . . . . . 101 Leu N . 16780 1 493 . 1 1 102 102 THR H H 1 8.90279 0.01713 . 1 . . . . . 102 Thr H . 16780 1 494 . 1 1 102 102 THR HA H 1 4.28739 0 . 1 . . . . . 102 Thr HA . 16780 1 495 . 1 1 102 102 THR C C 13 177.69261 0 . 1 . . . . . 102 Thr C . 16780 1 496 . 1 1 102 102 THR CA C 13 61.43479 0.17071 . 1 . . . . . 102 Thr CA . 16780 1 497 . 1 1 102 102 THR CB C 13 70.55145 0.13906 . 1 . . . . . 102 Thr CB . 16780 1 498 . 1 1 102 102 THR N N 15 114.86530 0.07510 . 1 . . . . . 102 Thr N . 16780 1 499 . 1 1 103 103 GLN H H 1 7.71744 0.00873 . 1 . . . . . 103 Gln H . 16780 1 500 . 1 1 103 103 GLN HA H 1 3.33433 0 . 1 . . . . . 103 Gln HA . 16780 1 501 . 1 1 103 103 GLN C C 13 177.95769 0 . 1 . . . . . 103 Gln C . 16780 1 502 . 1 1 103 103 GLN CA C 13 61.08676 0.29320 . 1 . . . . . 103 Gln CA . 16780 1 503 . 1 1 103 103 GLN CB C 13 32.44411 0 . 1 . . . . . 103 Gln CB . 16780 1 504 . 1 1 103 103 GLN N N 15 116.70517 0.12503 . 1 . . . . . 103 Gln N . 16780 1 505 . 1 1 104 104 ASP H H 1 8.13958 0.00557 . 1 . . . . . 104 Asp H . 16780 1 506 . 1 1 104 104 ASP HA H 1 4.89433 0 . 1 . . . . . 104 Asp HA . 16780 1 507 . 1 1 104 104 ASP C C 13 178.84344 0 . 1 . . . . . 104 Asp C . 16780 1 508 . 1 1 104 104 ASP CA C 13 58.05878 0.00326 . 1 . . . . . 104 Asp CA . 16780 1 509 . 1 1 104 104 ASP CB C 13 40.38176 0.05179 . 1 . . . . . 104 Asp CB . 16780 1 510 . 1 1 104 104 ASP N N 15 115.91450 0.02174 . 1 . . . . . 104 Asp N . 16780 1 511 . 1 1 105 105 GLU H H 1 7.26845 0.00555 . 1 . . . . . 105 Glu H . 16780 1 512 . 1 1 105 105 GLU HA H 1 3.80132 0 . 1 . . . . . 105 Glu HA . 16780 1 513 . 1 1 105 105 GLU C C 13 179.28616 0 . 1 . . . . . 105 Glu C . 16780 1 514 . 1 1 105 105 GLU CA C 13 58.68502 0 . 1 . . . . . 105 Glu CA . 16780 1 515 . 1 1 105 105 GLU CB C 13 31.42180 0.05290 . 1 . . . . . 105 Glu CB . 16780 1 516 . 1 1 105 105 GLU N N 15 117.79908 0.03430 . 1 . . . . . 105 Glu N . 16780 1 517 . 1 1 106 106 ARG H H 1 7.84209 0.00887 . 1 . . . . . 106 Arg H . 16780 1 518 . 1 1 106 106 ARG HA H 1 3.43779 0 . 1 . . . . . 106 Arg HA . 16780 1 519 . 1 1 106 106 ARG C C 13 177.47336 0 . 1 . . . . . 106 Arg C . 16780 1 520 . 1 1 106 106 ARG CA C 13 59.06884 0.05376 . 1 . . . . . 106 Arg CA . 16780 1 521 . 1 1 106 106 ARG CB C 13 28.40575 0.00112 . 1 . . . . . 106 Arg CB . 16780 1 522 . 1 1 106 106 ARG N N 15 118.68236 0.03794 . 1 . . . . . 106 Arg N . 16780 1 523 . 1 1 107 107 PHE H H 1 7.55140 0.00925 . 1 . . . . . 107 Phe H . 16780 1 524 . 1 1 107 107 PHE HA H 1 4.11506 0 . 1 . . . . . 107 Phe HA . 16780 1 525 . 1 1 107 107 PHE C C 13 179.03355 0 . 1 . . . . . 107 Phe C . 16780 1 526 . 1 1 107 107 PHE CA C 13 63.51235 0.02780 . 1 . . . . . 107 Phe CA . 16780 1 527 . 1 1 107 107 PHE CB C 13 39.14960 0.08289 . 1 . . . . . 107 Phe CB . 16780 1 528 . 1 1 107 107 PHE N N 15 113.79285 0.03139 . 1 . . . . . 107 Phe N . 16780 1 529 . 1 1 108 108 GLU H H 1 7.43939 0.00744 . 1 . . . . . 108 Glu H . 16780 1 530 . 1 1 108 108 GLU HA H 1 4.28744 0 . 1 . . . . . 108 Glu HA . 16780 1 531 . 1 1 108 108 GLU C C 13 176.65364 0 . 1 . . . . . 108 Glu C . 16780 1 532 . 1 1 108 108 GLU CA C 13 57.91105 0.00780 . 1 . . . . . 108 Glu CA . 16780 1 533 . 1 1 108 108 GLU CB C 13 29.59331 0.02568 . 1 . . . . . 108 Glu CB . 16780 1 534 . 1 1 108 108 GLU N N 15 117.04328 0.02731 . 1 . . . . . 108 Glu N . 16780 1 535 . 1 1 109 109 LEU H H 1 7.09619 0.00618 . 1 . . . . . 109 Leu H . 16780 1 536 . 1 1 109 109 LEU HA H 1 4.05599 0 . 1 . . . . . 109 Leu HA . 16780 1 537 . 1 1 109 109 LEU C C 13 175.99754 0 . 1 . . . . . 109 Leu C . 16780 1 538 . 1 1 109 109 LEU CA C 13 55.83306 0.02548 . 1 . . . . . 109 Leu CA . 16780 1 539 . 1 1 109 109 LEU CB C 13 42.92162 0.09729 . 1 . . . . . 109 Leu CB . 16780 1 540 . 1 1 109 109 LEU N N 15 116.99163 0.01912 . 1 . . . . . 109 Leu N . 16780 1 541 . 1 1 110 110 ALA H H 1 7.75115 0.00602 . 1 . . . . . 110 Ala H . 16780 1 542 . 1 1 110 110 ALA C C 13 173.07939 0 . 1 . . . . . 110 Ala C . 16780 1 543 . 1 1 110 110 ALA CA C 13 50.54013 0.06937 . 1 . . . . . 110 Ala CA . 16780 1 544 . 1 1 110 110 ALA CB C 13 23.09622 0.01976 . 1 . . . . . 110 Ala CB . 16780 1 545 . 1 1 110 110 ALA N N 15 120.58097 0.03160 . 1 . . . . . 110 Ala N . 16780 1 546 . 1 1 111 111 ALA H H 1 7.09274 0.00893 . 1 . . . . . 111 Ala H . 16780 1 547 . 1 1 111 111 ALA HA H 1 4.61764 0 . 1 . . . . . 111 Ala HA . 16780 1 548 . 1 1 111 111 ALA C C 13 177.21633 0 . 1 . . . . . 111 Ala C . 16780 1 549 . 1 1 111 111 ALA CA C 13 50.58362 0.27482 . 1 . . . . . 111 Ala CA . 16780 1 550 . 1 1 111 111 ALA CB C 13 20.61667 0.17280 . 1 . . . . . 111 Ala CB . 16780 1 551 . 1 1 111 111 ALA N N 15 119.85885 0.06163 . 1 . . . . . 111 Ala N . 16780 1 552 . 1 1 112 112 TRP H H 1 8.08705 0.00991 . 1 . . . . . 112 Trp H . 16780 1 553 . 1 1 112 112 TRP HA H 1 5.21977 0 . 1 . . . . . 112 Trp HA . 16780 1 554 . 1 1 112 112 TRP C C 13 175.66390 0 . 1 . . . . . 112 Trp C . 16780 1 555 . 1 1 112 112 TRP CA C 13 55.18797 0.09487 . 1 . . . . . 112 Trp CA . 16780 1 556 . 1 1 112 112 TRP CB C 13 32.95239 0.08721 . 1 . . . . . 112 Trp CB . 16780 1 557 . 1 1 112 112 TRP N N 15 119.83836 0.09480 . 1 . . . . . 112 Trp N . 16780 1 558 . 1 1 113 113 GLU H H 1 9.99409 0.01278 . 1 . . . . . 113 Glu H . 16780 1 559 . 1 1 113 113 GLU HA H 1 4.72572 0 . 1 . . . . . 113 Glu HA . 16780 1 560 . 1 1 113 113 GLU C C 13 173.85733 0 . 1 . . . . . 113 Glu C . 16780 1 561 . 1 1 113 113 GLU CA C 13 53.45536 0.01463 . 1 . . . . . 113 Glu CA . 16780 1 562 . 1 1 113 113 GLU CB C 13 33.20086 0.08496 . 1 . . . . . 113 Glu CB . 16780 1 563 . 1 1 113 113 GLU N N 15 121.98132 0.08354 . 1 . . . . . 113 Glu N . 16780 1 564 . 1 1 114 114 ILE H H 1 7.77848 0.00623 . 1 . . . . . 114 Ile H . 16780 1 565 . 1 1 114 114 ILE HA H 1 3.36048 0 . 1 . . . . . 114 Ile HA . 16780 1 566 . 1 1 114 114 ILE C C 13 175.56742 0 . 1 . . . . . 114 Ile C . 16780 1 567 . 1 1 114 114 ILE CA C 13 60.03926 0.00501 . 1 . . . . . 114 Ile CA . 16780 1 568 . 1 1 114 114 ILE CB C 13 41.01774 0.02743 . 1 . . . . . 114 Ile CB . 16780 1 569 . 1 1 114 114 ILE N N 15 116.77572 0.03644 . 1 . . . . . 114 Ile N . 16780 1 570 . 1 1 115 115 LEU H H 1 9.00138 0.00996 . 1 . . . . . 115 Leu H . 16780 1 571 . 1 1 115 115 LEU HA H 1 4.56193 0 . 1 . . . . . 115 Leu HA . 16780 1 572 . 1 1 115 115 LEU C C 13 174.38474 0 . 1 . . . . . 115 Leu C . 16780 1 573 . 1 1 115 115 LEU CA C 13 54.90130 0.02106 . 1 . . . . . 115 Leu CA . 16780 1 574 . 1 1 115 115 LEU CB C 13 42.16726 0.08822 . 1 . . . . . 115 Leu CB . 16780 1 575 . 1 1 115 115 LEU N N 15 126.23888 0.06893 . 1 . . . . . 115 Leu N . 16780 1 576 . 1 1 116 116 ALA H H 1 8.61187 0.01118 . 1 . . . . . 116 Ala H . 16780 1 577 . 1 1 116 116 ALA HA H 1 4.47906 0 . 1 . . . . . 116 Ala HA . 16780 1 578 . 1 1 116 116 ALA C C 13 179.03888 0 . 1 . . . . . 116 Ala C . 16780 1 579 . 1 1 116 116 ALA CA C 13 53.34007 0.07416 . 1 . . . . . 116 Ala CA . 16780 1 580 . 1 1 116 116 ALA CB C 13 22.53952 0.05662 . 1 . . . . . 116 Ala CB . 16780 1 581 . 1 1 116 116 ALA N N 15 122.65153 0.04096 . 1 . . . . . 116 Ala N . 16780 1 582 . 1 1 117 117 THR H H 1 9.75922 0.00994 . 1 . . . . . 117 Thr H . 16780 1 583 . 1 1 117 117 THR HA H 1 3.95406 0 . 1 . . . . . 117 Thr HA . 16780 1 584 . 1 1 117 117 THR C C 13 177.22383 0 . 1 . . . . . 117 Thr C . 16780 1 585 . 1 1 117 117 THR CA C 13 64.19068 0.00244 . 1 . . . . . 117 Thr CA . 16780 1 586 . 1 1 117 117 THR CB C 13 71.42855 0.09832 . 1 . . . . . 117 Thr CB . 16780 1 587 . 1 1 117 117 THR N N 15 110.91230 0.13895 . 1 . . . . . 117 Thr N . 16780 1 588 . 1 1 118 118 GLY H H 1 8.05454 0.00903 . 1 . . . . . 118 Gly H . 16780 1 589 . 1 1 118 118 GLY C C 13 173.10574 0 . 1 . . . . . 118 Gly C . 16780 1 590 . 1 1 118 118 GLY CA C 13 44.47748 0.02563 . 1 . . . . . 118 Gly CA . 16780 1 591 . 1 1 118 118 GLY N N 15 110.34450 0.03946 . 1 . . . . . 118 Gly N . 16780 1 592 . 1 1 119 119 ALA H H 1 8.63624 0.01020 . 1 . . . . . 119 Ala H . 16780 1 593 . 1 1 119 119 ALA HA H 1 4.05913 0 . 1 . . . . . 119 Ala HA . 16780 1 594 . 1 1 119 119 ALA CA C 13 50.88904 0 . 1 . . . . . 119 Ala CA . 16780 1 595 . 1 1 119 119 ALA CB C 13 17.58416 0 . 1 . . . . . 119 Ala CB . 16780 1 596 . 1 1 119 119 ALA N N 15 125.76087 0.03901 . 1 . . . . . 119 Ala N . 16780 1 597 . 1 1 120 120 PRO C C 13 175.93037 0 . 1 . . . . . 120 Pro C . 16780 1 598 . 1 1 120 120 PRO CA C 13 63.72546 0.06714 . 1 . . . . . 120 Pro CA . 16780 1 599 . 1 1 120 120 PRO CB C 13 32.10513 0.07178 . 1 . . . . . 120 Pro CB . 16780 1 600 . 1 1 121 121 VAL H H 1 9.04452 0.00970 . 1 . . . . . 121 Val H . 16780 1 601 . 1 1 121 121 VAL C C 13 175.42789 0 . 1 . . . . . 121 Val C . 16780 1 602 . 1 1 121 121 VAL CA C 13 60.88254 0.05776 . 1 . . . . . 121 Val CA . 16780 1 603 . 1 1 121 121 VAL CB C 13 33.34393 0.03864 . 1 . . . . . 121 Val CB . 16780 1 604 . 1 1 121 121 VAL N N 15 126.62955 0.01110 . 1 . . . . . 121 Val N . 16780 1 605 . 1 1 122 122 LEU H H 1 8.15552 0.00934 . 1 . . . . . 122 Leu H . 16780 1 606 . 1 1 122 122 LEU HA H 1 3.19293 0 . 1 . . . . . 122 Leu HA . 16780 1 607 . 1 1 122 122 LEU C C 13 176.87075 0 . 1 . . . . . 122 Leu C . 16780 1 608 . 1 1 122 122 LEU CA C 13 54.50291 0.01025 . 1 . . . . . 122 Leu CA . 16780 1 609 . 1 1 122 122 LEU CB C 13 42.94996 0.00348 . 1 . . . . . 122 Leu CB . 16780 1 610 . 1 1 122 122 LEU N N 15 130.25954 0.01719 . 1 . . . . . 122 Leu N . 16780 1 611 . 1 1 123 123 LYS H H 1 7.84743 0.00835 . 1 . . . . . 123 Lys H . 16780 1 612 . 1 1 123 123 LYS HA H 1 3.79184 0 . 1 . . . . . 123 Lys HA . 16780 1 613 . 1 1 123 123 LYS C C 13 177.14123 0 . 1 . . . . . 123 Lys C . 16780 1 614 . 1 1 123 123 LYS CA C 13 58.06613 0.02492 . 1 . . . . . 123 Lys CA . 16780 1 615 . 1 1 123 123 LYS CB C 13 31.53893 0.00634 . 1 . . . . . 123 Lys CB . 16780 1 616 . 1 1 123 123 LYS N N 15 130.26188 0.03317 . 1 . . . . . 123 Lys N . 16780 1 617 . 1 1 124 124 GLY H H 1 8.01123 0.00860 . 1 . . . . . 124 Gly H . 16780 1 618 . 1 1 124 124 GLY C C 13 174.07129 0 . 1 . . . . . 124 Gly C . 16780 1 619 . 1 1 124 124 GLY CA C 13 44.71317 0.07180 . 1 . . . . . 124 Gly CA . 16780 1 620 . 1 1 124 124 GLY N N 15 111.10011 0.04263 . 1 . . . . . 124 Gly N . 16780 1 621 . 1 1 125 125 ALA H H 1 6.81133 0.00756 . 1 . . . . . 125 Ala H . 16780 1 622 . 1 1 125 125 ALA HA H 1 3.84178 0 . 1 . . . . . 125 Ala HA . 16780 1 623 . 1 1 125 125 ALA C C 13 177.37724 0 . 1 . . . . . 125 Ala C . 16780 1 624 . 1 1 125 125 ALA CA C 13 52.73687 0.05861 . 1 . . . . . 125 Ala CA . 16780 1 625 . 1 1 125 125 ALA CB C 13 18.33452 0.03022 . 1 . . . . . 125 Ala CB . 16780 1 626 . 1 1 125 125 ALA N N 15 119.67748 0.03807 . 1 . . . . . 125 Ala N . 16780 1 627 . 1 1 126 126 LEU H H 1 8.00059 0.01886 . 1 . . . . . 126 Leu H . 16780 1 628 . 1 1 126 126 LEU HA H 1 4.44296 0 . 1 . . . . . 126 Leu HA . 16780 1 629 . 1 1 126 126 LEU C C 13 178.73663 0 . 1 . . . . . 126 Leu C . 16780 1 630 . 1 1 126 126 LEU CA C 13 57.58028 0.03210 . 1 . . . . . 126 Leu CA . 16780 1 631 . 1 1 126 126 LEU CB C 13 43.88673 0.08295 . 1 . . . . . 126 Leu CB . 16780 1 632 . 1 1 126 126 LEU N N 15 122.18971 0.03200 . 1 . . . . . 126 Leu N . 16780 1 633 . 1 1 127 127 ALA H H 1 7.57410 0.01615 . 1 . . . . . 127 Ala H . 16780 1 634 . 1 1 127 127 ALA HA H 1 4.51446 0 . 1 . . . . . 127 Ala HA . 16780 1 635 . 1 1 127 127 ALA C C 13 173.61126 0 . 1 . . . . . 127 Ala C . 16780 1 636 . 1 1 127 127 ALA CA C 13 51.61659 0.03844 . 1 . . . . . 127 Ala CA . 16780 1 637 . 1 1 127 127 ALA CB C 13 22.33659 0.03967 . 1 . . . . . 127 Ala CB . 16780 1 638 . 1 1 127 127 ALA N N 15 117.45016 0.17590 . 1 . . . . . 127 Ala N . 16780 1 639 . 1 1 128 128 ALA H H 1 8.16654 0.00843 . 1 . . . . . 128 Ala H . 16780 1 640 . 1 1 128 128 ALA HA H 1 5.35283 0 . 1 . . . . . 128 Ala HA . 16780 1 641 . 1 1 128 128 ALA C C 13 174.88251 0 . 1 . . . . . 128 Ala C . 16780 1 642 . 1 1 128 128 ALA CA C 13 51.36259 0.08500 . 1 . . . . . 128 Ala CA . 16780 1 643 . 1 1 128 128 ALA CB C 13 23.15892 0.07625 . 1 . . . . . 128 Ala CB . 16780 1 644 . 1 1 128 128 ALA N N 15 122.08282 0.08541 . 1 . . . . . 128 Ala N . 16780 1 645 . 1 1 129 129 PHE H H 1 8.64930 0.00644 . 1 . . . . . 129 Phe H . 16780 1 646 . 1 1 129 129 PHE HA H 1 4.83301 0 . 1 . . . . . 129 Phe HA . 16780 1 647 . 1 1 129 129 PHE C C 13 173.60751 0 . 1 . . . . . 129 Phe C . 16780 1 648 . 1 1 129 129 PHE CA C 13 55.52656 0.02915 . 1 . . . . . 129 Phe CA . 16780 1 649 . 1 1 129 129 PHE CB C 13 40.49371 0.02545 . 1 . . . . . 129 Phe CB . 16780 1 650 . 1 1 129 129 PHE N N 15 117.52269 0.03424 . 1 . . . . . 129 Phe N . 16780 1 651 . 1 1 130 130 ASP H H 1 9.09131 0.00972 . 1 . . . . . 130 Asp H . 16780 1 652 . 1 1 130 130 ASP HA H 1 5.02293 0 . 1 . . . . . 130 Asp HA . 16780 1 653 . 1 1 130 130 ASP C C 13 176.50043 0 . 1 . . . . . 130 Asp C . 16780 1 654 . 1 1 130 130 ASP CA C 13 53.75932 0.02559 . 1 . . . . . 130 Asp CA . 16780 1 655 . 1 1 130 130 ASP CB C 13 43.09353 0.05986 . 1 . . . . . 130 Asp CB . 16780 1 656 . 1 1 130 130 ASP N N 15 127.91931 0.02859 . 1 . . . . . 130 Asp N . 16780 1 657 . 1 1 131 131 CYS H H 1 9.36665 0.00857 . 1 . . . . . 131 Cys H . 16780 1 658 . 1 1 131 131 CYS HA H 1 5.34594 0 . 1 . . . . . 131 Cys HA . 16780 1 659 . 1 1 131 131 CYS C C 13 173.59003 0 . 1 . . . . . 131 Cys C . 16780 1 660 . 1 1 131 131 CYS CA C 13 57.74349 0.06399 . 1 . . . . . 131 Cys CA . 16780 1 661 . 1 1 131 131 CYS CB C 13 31.55144 0.01286 . 1 . . . . . 131 Cys CB . 16780 1 662 . 1 1 131 131 CYS N N 15 122.77122 0.05528 . 1 . . . . . 131 Cys N . 16780 1 663 . 1 1 132 132 ARG H H 1 8.47170 0.00948 . 1 . . . . . 132 Arg H . 16780 1 664 . 1 1 132 132 ARG HA H 1 4.81897 0 . 1 . . . . . 132 Arg HA . 16780 1 665 . 1 1 132 132 ARG C C 13 175.66184 0 . 1 . . . . . 132 Arg C . 16780 1 666 . 1 1 132 132 ARG CA C 13 53.79538 0.00680 . 1 . . . . . 132 Arg CA . 16780 1 667 . 1 1 132 132 ARG CB C 13 32.45083 0.01539 . 1 . . . . . 132 Arg CB . 16780 1 668 . 1 1 132 132 ARG N N 15 119.44331 0.04257 . 1 . . . . . 132 Arg N . 16780 1 669 . 1 1 133 133 VAL H H 1 8.30561 0.01032 . 1 . . . . . 133 Val H . 16780 1 670 . 1 1 133 133 VAL HA H 1 4.09732 0 . 1 . . . . . 133 Val HA . 16780 1 671 . 1 1 133 133 VAL C C 13 176.73678 0 . 1 . . . . . 133 Val C . 16780 1 672 . 1 1 133 133 VAL CA C 13 64.44122 0.07841 . 1 . . . . . 133 Val CA . 16780 1 673 . 1 1 133 133 VAL CB C 13 32.02157 0 . 1 . . . . . 133 Val CB . 16780 1 674 . 1 1 133 133 VAL N N 15 124.73015 0.04052 . 1 . . . . . 133 Val N . 16780 1 675 . 1 1 134 134 VAL H H 1 9.20251 0.01091 . 1 . . . . . 134 Val H . 16780 1 676 . 1 1 134 134 VAL HA H 1 4.54560 0 . 1 . . . . . 134 Val HA . 16780 1 677 . 1 1 134 134 VAL C C 13 176.19126 0 . 1 . . . . . 134 Val C . 16780 1 678 . 1 1 134 134 VAL CA C 13 61.61046 0.03697 . 1 . . . . . 134 Val CA . 16780 1 679 . 1 1 134 134 VAL CB C 13 33.54153 0.01573 . 1 . . . . . 134 Val CB . 16780 1 680 . 1 1 134 134 VAL N N 15 120.98312 0.15962 . 1 . . . . . 134 Val N . 16780 1 681 . 1 1 135 135 SER H H 1 7.53594 0.00865 . 1 . . . . . 135 Ser H . 16780 1 682 . 1 1 135 135 SER HA H 1 4.58508 0 . 1 . . . . . 135 Ser HA . 16780 1 683 . 1 1 135 135 SER C C 13 172.55864 0 . 1 . . . . . 135 Ser C . 16780 1 684 . 1 1 135 135 SER CA C 13 58.95538 0.07744 . 1 . . . . . 135 Ser CA . 16780 1 685 . 1 1 135 135 SER CB C 13 64.84451 0.20076 . 1 . . . . . 135 Ser CB . 16780 1 686 . 1 1 135 135 SER N N 15 114.70739 0.02142 . 1 . . . . . 135 Ser N . 16780 1 687 . 1 1 136 136 VAL H H 1 8.22538 0.01285 . 1 . . . . . 136 Val H . 16780 1 688 . 1 1 136 136 VAL HA H 1 4.96872 0 . 1 . . . . . 136 Val HA . 16780 1 689 . 1 1 136 136 VAL C C 13 175.29775 0 . 1 . . . . . 136 Val C . 16780 1 690 . 1 1 136 136 VAL CA C 13 61.61467 0.03628 . 1 . . . . . 136 Val CA . 16780 1 691 . 1 1 136 136 VAL CB C 13 34.43082 0.08107 . 1 . . . . . 136 Val CB . 16780 1 692 . 1 1 136 136 VAL N N 15 124.68295 0.06823 . 1 . . . . . 136 Val N . 16780 1 693 . 1 1 137 137 GLN H H 1 9.44547 0.00823 . 1 . . . . . 137 Gln H . 16780 1 694 . 1 1 137 137 GLN C C 13 174.65125 0 . 1 . . . . . 137 Gln C . 16780 1 695 . 1 1 137 137 GLN CA C 13 53.83952 0.04372 . 1 . . . . . 137 Gln CA . 16780 1 696 . 1 1 137 137 GLN CB C 13 32.64212 0.01631 . 1 . . . . . 137 Gln CB . 16780 1 697 . 1 1 137 137 GLN N N 15 124.84357 0.03958 . 1 . . . . . 137 Gln N . 16780 1 698 . 1 1 138 138 ASP H H 1 8.62807 0.01120 . 1 . . . . . 138 Asp H . 16780 1 699 . 1 1 138 138 ASP C C 13 175.39541 0 . 1 . . . . . 138 Asp C . 16780 1 700 . 1 1 138 138 ASP CA C 13 54.54347 0.02750 . 1 . . . . . 138 Asp CA . 16780 1 701 . 1 1 138 138 ASP CB C 13 42.26099 0.01215 . 1 . . . . . 138 Asp CB . 16780 1 702 . 1 1 138 138 ASP N N 15 125.20348 0.04363 . 1 . . . . . 138 Asp N . 16780 1 703 . 1 1 139 139 HIS H H 1 8.37657 0.01165 . 1 . . . . . 139 His H . 16780 1 704 . 1 1 139 139 HIS HA H 1 5.60626 0 . 1 . . . . . 139 His HA . 16780 1 705 . 1 1 139 139 HIS CA C 13 55.72920 0 . 1 . . . . . 139 His CA . 16780 1 706 . 1 1 139 139 HIS CB C 13 31.15073 0 . 1 . . . . . 139 His CB . 16780 1 707 . 1 1 139 139 HIS N N 15 126.11083 0.08502 . 1 . . . . . 139 His N . 16780 1 708 . 1 1 140 140 SER C C 13 175.11912 0 . 1 . . . . . 140 Ser C . 16780 1 709 . 1 1 140 140 SER CA C 13 61.81262 0 . 1 . . . . . 140 Ser CA . 16780 1 710 . 1 1 141 141 THR H H 1 8.23497 0.01403 . 1 . . . . . 141 Thr H . 16780 1 711 . 1 1 141 141 THR C C 13 176.46972 0 . 1 . . . . . 141 Thr C . 16780 1 712 . 1 1 141 141 THR CA C 13 62.51385 0.06917 . 1 . . . . . 141 Thr CA . 16780 1 713 . 1 1 141 141 THR CB C 13 70.35810 0.05962 . 1 . . . . . 141 Thr CB . 16780 1 714 . 1 1 141 141 THR N N 15 111.38311 0.07299 . 1 . . . . . 141 Thr N . 16780 1 715 . 1 1 142 142 HIS H H 1 7.90140 0.00996 . 1 . . . . . 142 His H . 16780 1 716 . 1 1 142 142 HIS HA H 1 5.30284 0 . 1 . . . . . 142 His HA . 16780 1 717 . 1 1 142 142 HIS C C 13 174.97372 0 . 1 . . . . . 142 His C . 16780 1 718 . 1 1 142 142 HIS CA C 13 55.90586 0.03648 . 1 . . . . . 142 His CA . 16780 1 719 . 1 1 142 142 HIS CB C 13 34.49279 0.15788 . 1 . . . . . 142 His CB . 16780 1 720 . 1 1 142 142 HIS N N 15 123.63537 0.06521 . 1 . . . . . 142 His N . 16780 1 721 . 1 1 143 143 HIS H H 1 9.22866 0.01520 . 1 . . . . . 143 His H . 16780 1 722 . 1 1 143 143 HIS HA H 1 5.08828 0 . 1 . . . . . 143 His HA . 16780 1 723 . 1 1 143 143 HIS C C 13 175.90830 0 . 1 . . . . . 143 His C . 16780 1 724 . 1 1 143 143 HIS CA C 13 56.16766 0 . 1 . . . . . 143 His CA . 16780 1 725 . 1 1 143 143 HIS CB C 13 32.91399 0.09050 . 1 . . . . . 143 His CB . 16780 1 726 . 1 1 143 143 HIS N N 15 118.75696 0.02771 . 1 . . . . . 143 His N . 16780 1 727 . 1 1 144 144 VAL H H 1 9.22917 0.01712 . 1 . . . . . 144 Val H . 16780 1 728 . 1 1 144 144 VAL HA H 1 4.88540 0 . 1 . . . . . 144 Val HA . 16780 1 729 . 1 1 144 144 VAL C C 13 174.88767 0 . 1 . . . . . 144 Val C . 16780 1 730 . 1 1 144 144 VAL CA C 13 61.71307 0.08353 . 1 . . . . . 144 Val CA . 16780 1 731 . 1 1 144 144 VAL CB C 13 33.51852 0 . 1 . . . . . 144 Val CB . 16780 1 732 . 1 1 144 144 VAL N N 15 123.90008 0.03668 . 1 . . . . . 144 Val N . 16780 1 733 . 1 1 145 145 LEU H H 1 8.86111 0.00855 . 1 . . . . . 145 Leu H . 16780 1 734 . 1 1 145 145 LEU HA H 1 5.25367 0 . 1 . . . . . 145 Leu HA . 16780 1 735 . 1 1 145 145 LEU C C 13 175.37624 0 . 1 . . . . . 145 Leu C . 16780 1 736 . 1 1 145 145 LEU CA C 13 54.64470 0.07092 . 1 . . . . . 145 Leu CA . 16780 1 737 . 1 1 145 145 LEU CB C 13 43.76353 0.07232 . 1 . . . . . 145 Leu CB . 16780 1 738 . 1 1 145 145 LEU N N 15 128.14843 0.04437 . 1 . . . . . 145 Leu N . 16780 1 739 . 1 1 146 146 PHE H H 1 8.87123 0.00911 . 1 . . . . . 146 Phe H . 16780 1 740 . 1 1 146 146 PHE HA H 1 4.80391 0 . 1 . . . . . 146 Phe HA . 16780 1 741 . 1 1 146 146 PHE C C 13 176.16647 0 . 1 . . . . . 146 Phe C . 16780 1 742 . 1 1 146 146 PHE CA C 13 56.91561 0.02294 . 1 . . . . . 146 Phe CA . 16780 1 743 . 1 1 146 146 PHE CB C 13 40.63597 0.04680 . 1 . . . . . 146 Phe CB . 16780 1 744 . 1 1 146 146 PHE N N 15 119.73625 0.04503 . 1 . . . . . 146 Phe N . 16780 1 745 . 1 1 147 147 GLY H H 1 9.98807 0.01015 . 1 . . . . . 147 Gly H . 16780 1 746 . 1 1 147 147 GLY C C 13 174.46319 0 . 1 . . . . . 147 Gly C . 16780 1 747 . 1 1 147 147 GLY CA C 13 44.52951 0.01943 . 1 . . . . . 147 Gly CA . 16780 1 748 . 1 1 147 147 GLY N N 15 111.74405 0.03752 . 1 . . . . . 147 Gly N . 16780 1 749 . 1 1 148 148 GLU H H 1 8.71602 0.01021 . 1 . . . . . 148 Glu H . 16780 1 750 . 1 1 148 148 GLU HA H 1 4.97567 0 . 1 . . . . . 148 Glu HA . 16780 1 751 . 1 1 148 148 GLU C C 13 176.66418 0 . 1 . . . . . 148 Glu C . 16780 1 752 . 1 1 148 148 GLU CA C 13 54.57948 0.07126 . 1 . . . . . 148 Glu CA . 16780 1 753 . 1 1 148 148 GLU CB C 13 31.52932 0.04428 . 1 . . . . . 148 Glu CB . 16780 1 754 . 1 1 148 148 GLU N N 15 124.69364 0.14730 . 1 . . . . . 148 Glu N . 16780 1 755 . 1 1 149 149 VAL H H 1 7.98921 0.00667 . 1 . . . . . 149 Val H . 16780 1 756 . 1 1 149 149 VAL HA H 1 4.13674 0 . 1 . . . . . 149 Val HA . 16780 1 757 . 1 1 149 149 VAL C C 13 175.89225 0 . 1 . . . . . 149 Val C . 16780 1 758 . 1 1 149 149 VAL CA C 13 63.40231 0.03860 . 1 . . . . . 149 Val CA . 16780 1 759 . 1 1 149 149 VAL CB C 13 31.40525 0.12127 . 1 . . . . . 149 Val CB . 16780 1 760 . 1 1 149 149 VAL N N 15 124.70659 0.11797 . 1 . . . . . 149 Val N . 16780 1 761 . 1 1 150 150 VAL H H 1 9.31353 0.00723 . 1 . . . . . 150 Val H . 16780 1 762 . 1 1 150 150 VAL HA H 1 4.55596 0 . 1 . . . . . 150 Val HA . 16780 1 763 . 1 1 150 150 VAL C C 13 175.43239 0 . 1 . . . . . 150 Val C . 16780 1 764 . 1 1 150 150 VAL CA C 13 60.99172 0.04141 . 1 . . . . . 150 Val CA . 16780 1 765 . 1 1 150 150 VAL CB C 13 32.55953 0.05343 . 1 . . . . . 150 Val CB . 16780 1 766 . 1 1 150 150 VAL N N 15 120.18434 0.06804 . 1 . . . . . 150 Val N . 16780 1 767 . 1 1 151 151 GLY H H 1 7.91909 0.00722 . 1 . . . . . 151 Gly H . 16780 1 768 . 1 1 151 151 GLY HA2 H 1 3.53646 0 . 2 . . . . . 151 Gly HA . 16780 1 769 . 1 1 151 151 GLY HA3 H 1 3.53646 0 . 2 . . . . . 151 Gly HA . 16780 1 770 . 1 1 151 151 GLY C C 13 170.21753 0 . 1 . . . . . 151 Gly C . 16780 1 771 . 1 1 151 151 GLY CA C 13 45.67867 0.01452 . 1 . . . . . 151 Gly CA . 16780 1 772 . 1 1 151 151 GLY N N 15 108.58496 0.05359 . 1 . . . . . 151 Gly N . 16780 1 773 . 1 1 152 152 LEU H H 1 8.54635 0.01498 . 1 . . . . . 152 Leu H . 16780 1 774 . 1 1 152 152 LEU HA H 1 5.16915 0 . 1 . . . . . 152 Leu HA . 16780 1 775 . 1 1 152 152 LEU C C 13 175.19726 0 . 1 . . . . . 152 Leu C . 16780 1 776 . 1 1 152 152 LEU CA C 13 54.17547 0.06585 . 1 . . . . . 152 Leu CA . 16780 1 777 . 1 1 152 152 LEU CB C 13 47.74102 0.02589 . 1 . . . . . 152 Leu CB . 16780 1 778 . 1 1 152 152 LEU N N 15 122.71928 0.02902 . 1 . . . . . 152 Leu N . 16780 1 779 . 1 1 153 153 SER H H 1 8.27315 0.00801 . 1 . . . . . 153 Ser H . 16780 1 780 . 1 1 153 153 SER HA H 1 4.42046 0 . 1 . . . . . 153 Ser HA . 16780 1 781 . 1 1 153 153 SER C C 13 172.56662 0 . 1 . . . . . 153 Ser C . 16780 1 782 . 1 1 153 153 SER CA C 13 57.02066 0.08153 . 1 . . . . . 153 Ser CA . 16780 1 783 . 1 1 153 153 SER CB C 13 65.68067 0 . 1 . . . . . 153 Ser CB . 16780 1 784 . 1 1 153 153 SER N N 15 114.93842 0.06332 . 1 . . . . . 153 Ser N . 16780 1 785 . 1 1 154 154 SER H H 1 7.60701 0.01165 . 1 . . . . . 154 Ser H . 16780 1 786 . 1 1 154 154 SER C C 13 172.55647 0 . 1 . . . . . 154 Ser C . 16780 1 787 . 1 1 154 154 SER CA C 13 58.34854 0.04899 . 1 . . . . . 154 Ser CA . 16780 1 788 . 1 1 154 154 SER CB C 13 64.94666 0.09451 . 1 . . . . . 154 Ser CB . 16780 1 789 . 1 1 154 154 SER N N 15 113.47295 0.01133 . 1 . . . . . 154 Ser N . 16780 1 790 . 1 1 155 155 HIS H H 1 7.81251 0.01245 . 1 . . . . . 155 His H . 16780 1 791 . 1 1 155 155 HIS CA C 13 55.64263 0 . 1 . . . . . 155 His CA . 16780 1 792 . 1 1 155 155 HIS CB C 13 31.56563 0 . 1 . . . . . 155 His CB . 16780 1 793 . 1 1 155 155 HIS N N 15 120.37247 0.02958 . 1 . . . . . 155 His N . 16780 1 794 . 1 1 156 156 ALA H H 1 8.02369 0.01272 . 1 . . . . . 156 Ala H . 16780 1 795 . 1 1 156 156 ALA C C 13 176.48578 0 . 1 . . . . . 156 Ala C . 16780 1 796 . 1 1 156 156 ALA CA C 13 52.26517 0.06776 . 1 . . . . . 156 Ala CA . 16780 1 797 . 1 1 156 156 ALA CB C 13 17.77780 0.06009 . 1 . . . . . 156 Ala CB . 16780 1 798 . 1 1 156 156 ALA N N 15 126.58702 0.00267 . 1 . . . . . 156 Ala N . 16780 1 799 . 1 1 157 157 GLU H H 1 6.79150 0.01069 . 1 . . . . . 157 Glu H . 16780 1 800 . 1 1 157 157 GLU C C 13 175.67146 0 . 1 . . . . . 157 Glu C . 16780 1 801 . 1 1 157 157 GLU CA C 13 55.00052 0.04978 . 1 . . . . . 157 Glu CA . 16780 1 802 . 1 1 157 157 GLU CB C 13 32.22708 0.00578 . 1 . . . . . 157 Glu CB . 16780 1 803 . 1 1 157 157 GLU N N 15 121.22816 0.13114 . 1 . . . . . 157 Glu N . 16780 1 804 . 1 1 158 158 GLU H H 1 8.30197 0.01459 . 1 . . . . . 158 Glu H . 16780 1 805 . 1 1 158 158 GLU HA H 1 4.03211 0 . 1 . . . . . 158 Glu HA . 16780 1 806 . 1 1 158 158 GLU C C 13 177.47247 0 . 1 . . . . . 158 Glu C . 16780 1 807 . 1 1 158 158 GLU CA C 13 59.18712 0.04570 . 1 . . . . . 158 Glu CA . 16780 1 808 . 1 1 158 158 GLU CB C 13 31.23948 0.01003 . 1 . . . . . 158 Glu CB . 16780 1 809 . 1 1 158 158 GLU N N 15 117.82753 0.07420 . 1 . . . . . 158 Glu N . 16780 1 810 . 1 1 159 159 GLU H H 1 8.12017 0.00510 . 1 . . . . . 159 Glu H . 16780 1 811 . 1 1 159 159 GLU HA H 1 4.89433 0 . 1 . . . . . 159 Glu HA . 16780 1 812 . 1 1 159 159 GLU C C 13 175.15776 0 . 1 . . . . . 159 Glu C . 16780 1 813 . 1 1 159 159 GLU CA C 13 54.53489 0.02796 . 1 . . . . . 159 Glu CA . 16780 1 814 . 1 1 159 159 GLU CB C 13 34.67839 0.02847 . 1 . . . . . 159 Glu CB . 16780 1 815 . 1 1 159 159 GLU N N 15 114.91448 0.06132 . 1 . . . . . 159 Glu N . 16780 1 816 . 1 1 160 160 ALA H H 1 9.06501 0.01294 . 1 . . . . . 160 Ala H . 16780 1 817 . 1 1 160 160 ALA HA H 1 4.54610 0 . 1 . . . . . 160 Ala HA . 16780 1 818 . 1 1 160 160 ALA C C 13 175.95177 0 . 1 . . . . . 160 Ala C . 16780 1 819 . 1 1 160 160 ALA CA C 13 50.80245 0.03266 . 1 . . . . . 160 Ala CA . 16780 1 820 . 1 1 160 160 ALA CB C 13 22.20939 0.03885 . 1 . . . . . 160 Ala CB . 16780 1 821 . 1 1 160 160 ALA N N 15 124.09603 0.05781 . 1 . . . . . 160 Ala N . 16780 1 822 . 1 1 161 161 LEU H H 1 7.50084 0.00687 . 1 . . . . . 161 Leu H . 16780 1 823 . 1 1 161 161 LEU HA H 1 4.99675 0 . 1 . . . . . 161 Leu HA . 16780 1 824 . 1 1 161 161 LEU C C 13 175.92040 0 . 1 . . . . . 161 Leu C . 16780 1 825 . 1 1 161 161 LEU CA C 13 54.33444 0 . 1 . . . . . 161 Leu CA . 16780 1 826 . 1 1 161 161 LEU CB C 13 44.27130 0.04773 . 1 . . . . . 161 Leu CB . 16780 1 827 . 1 1 161 161 LEU N N 15 121.56265 0.05877 . 1 . . . . . 161 Leu N . 16780 1 828 . 1 1 162 162 ILE H H 1 9.15653 0.01176 . 1 . . . . . 162 Ile H . 16780 1 829 . 1 1 162 162 ILE HA H 1 4.84337 0 . 1 . . . . . 162 Ile HA . 16780 1 830 . 1 1 162 162 ILE C C 13 174.05560 0 . 1 . . . . . 162 Ile C . 16780 1 831 . 1 1 162 162 ILE CA C 13 58.65807 0 . 1 . . . . . 162 Ile CA . 16780 1 832 . 1 1 162 162 ILE CB C 13 42.13632 0 . 1 . . . . . 162 Ile CB . 16780 1 833 . 1 1 162 162 ILE N N 15 129.50640 0.09734 . 1 . . . . . 162 Ile N . 16780 1 834 . 1 1 163 163 TYR H H 1 9.62570 0.01850 . 1 . . . . . 163 Tyr H . 16780 1 835 . 1 1 163 163 TYR HA H 1 5.16032 0 . 1 . . . . . 163 Tyr HA . 16780 1 836 . 1 1 163 163 TYR C C 13 174.87080 0 . 1 . . . . . 163 Tyr C . 16780 1 837 . 1 1 163 163 TYR CA C 13 58.32807 0.00124 . 1 . . . . . 163 Tyr CA . 16780 1 838 . 1 1 163 163 TYR CB C 13 40.57778 0.07188 . 1 . . . . . 163 Tyr CB . 16780 1 839 . 1 1 163 163 TYR N N 15 130.48729 0.13429 . 1 . . . . . 163 Tyr N . 16780 1 840 . 1 1 164 164 LEU H H 1 8.26174 0.01155 . 1 . . . . . 164 Leu H . 16780 1 841 . 1 1 164 164 LEU HA H 1 4.54613 0 . 1 . . . . . 164 Leu HA . 16780 1 842 . 1 1 164 164 LEU C C 13 175.41784 0 . 1 . . . . . 164 Leu C . 16780 1 843 . 1 1 164 164 LEU CA C 13 54.96323 0.01034 . 1 . . . . . 164 Leu CA . 16780 1 844 . 1 1 164 164 LEU CB C 13 44.38467 0.06092 . 1 . . . . . 164 Leu CB . 16780 1 845 . 1 1 164 164 LEU N N 15 127.15771 0.07314 . 1 . . . . . 164 Leu N . 16780 1 846 . 1 1 165 165 ASN H H 1 9.49802 0.00898 . 1 . . . . . 165 Asn H . 16780 1 847 . 1 1 165 165 ASN C C 13 173.86659 0 . 1 . . . . . 165 Asn C . 16780 1 848 . 1 1 165 165 ASN CA C 13 54.16958 0.05863 . 1 . . . . . 165 Asn CA . 16780 1 849 . 1 1 165 165 ASN CB C 13 37.29026 0 . 1 . . . . . 165 Asn CB . 16780 1 850 . 1 1 165 165 ASN N N 15 131.09684 0.05957 . 1 . . . . . 165 Asn N . 16780 1 851 . 1 1 166 166 ARG H H 1 8.79370 0.00927 . 1 . . . . . 166 Arg H . 16780 1 852 . 1 1 166 166 ARG C C 13 173.96339 0 . 1 . . . . . 166 Arg C . 16780 1 853 . 1 1 166 166 ARG CA C 13 58.02687 0.06305 . 1 . . . . . 166 Arg CA . 16780 1 854 . 1 1 166 166 ARG CB C 13 26.62388 0 . 1 . . . . . 166 Arg CB . 16780 1 855 . 1 1 166 166 ARG N N 15 108.37236 0.05587 . 1 . . . . . 166 Arg N . 16780 1 856 . 1 1 167 167 ARG H H 1 6.60312 0.00977 . 1 . . . . . 167 Arg H . 16780 1 857 . 1 1 167 167 ARG C C 13 173.87300 0 . 1 . . . . . 167 Arg C . 16780 1 858 . 1 1 167 167 ARG CA C 13 54.55843 0.06870 . 1 . . . . . 167 Arg CA . 16780 1 859 . 1 1 167 167 ARG CB C 13 33.14727 0.05941 . 1 . . . . . 167 Arg CB . 16780 1 860 . 1 1 167 167 ARG N N 15 112.28278 0.02999 . 1 . . . . . 167 Arg N . 16780 1 861 . 1 1 168 168 TYR H H 1 8.17257 0.00905 . 1 . . . . . 168 Tyr H . 16780 1 862 . 1 1 168 168 TYR C C 13 176.48219 0 . 1 . . . . . 168 Tyr C . 16780 1 863 . 1 1 168 168 TYR CA C 13 59.43478 0.08945 . 1 . . . . . 168 Tyr CA . 16780 1 864 . 1 1 168 168 TYR CB C 13 39.87166 0.10148 . 1 . . . . . 168 Tyr CB . 16780 1 865 . 1 1 168 168 TYR N N 15 117.73098 0.06322 . 1 . . . . . 168 Tyr N . 16780 1 866 . 1 1 169 169 HIS H H 1 9.50362 0.02770 . 1 . . . . . 169 His H . 16780 1 867 . 1 1 169 169 HIS C C 13 173.33844 0 . 1 . . . . . 169 His C . 16780 1 868 . 1 1 169 169 HIS CA C 13 53.89509 0.05416 . 1 . . . . . 169 His CA . 16780 1 869 . 1 1 169 169 HIS CB C 13 34.10048 0.02923 . 1 . . . . . 169 His CB . 16780 1 870 . 1 1 169 169 HIS N N 15 117.96213 0.10135 . 1 . . . . . 169 His N . 16780 1 871 . 1 1 170 170 LYS H H 1 8.55421 0.02241 . 1 . . . . . 170 Lys H . 16780 1 872 . 1 1 170 170 LYS HA H 1 5.22459 0 . 1 . . . . . 170 Lys HA . 16780 1 873 . 1 1 170 170 LYS C C 13 175.11419 0 . 1 . . . . . 170 Lys C . 16780 1 874 . 1 1 170 170 LYS CA C 13 55.26976 0.03633 . 1 . . . . . 170 Lys CA . 16780 1 875 . 1 1 170 170 LYS CB C 13 34.43750 0.07424 . 1 . . . . . 170 Lys CB . 16780 1 876 . 1 1 170 170 LYS N N 15 120.76627 0.09987 . 1 . . . . . 170 Lys N . 16780 1 877 . 1 1 171 171 LEU H H 1 8.36466 0.00961 . 1 . . . . . 171 Leu H . 16780 1 878 . 1 1 171 171 LEU HA H 1 4.59258 0 . 1 . . . . . 171 Leu HA . 16780 1 879 . 1 1 171 171 LEU C C 13 174.38590 0 . 1 . . . . . 171 Leu C . 16780 1 880 . 1 1 171 171 LEU CA C 13 53.26000 0.03701 . 1 . . . . . 171 Leu CA . 16780 1 881 . 1 1 171 171 LEU CB C 13 46.62482 0.07960 . 1 . . . . . 171 Leu CB . 16780 1 882 . 1 1 171 171 LEU N N 15 122.80281 0.11656 . 1 . . . . . 171 Leu N . 16780 1 883 . 1 1 172 172 GLU H H 1 8.67002 0.01579 . 1 . . . . . 172 Glu H . 16780 1 884 . 1 1 172 172 GLU HA H 1 4.46143 0 . 1 . . . . . 172 Glu HA . 16780 1 885 . 1 1 172 172 GLU C C 13 174.63182 0 . 1 . . . . . 172 Glu C . 16780 1 886 . 1 1 172 172 GLU CA C 13 57.00580 0.06764 . 1 . . . . . 172 Glu CA . 16780 1 887 . 1 1 172 172 GLU CB C 13 29.67619 0.06358 . 1 . . . . . 172 Glu CB . 16780 1 888 . 1 1 172 172 GLU N N 15 128.63567 0.08954 . 1 . . . . . 172 Glu N . 16780 1 889 . 1 1 173 173 LEU H H 1 7.56984 0.01254 . 1 . . . . . 173 Leu H . 16780 1 890 . 1 1 173 173 LEU HA H 1 3.64178 0 . 1 . . . . . 173 Leu HA . 16780 1 891 . 1 1 173 173 LEU CA C 13 60.39334 0 . 1 . . . . . 173 Leu CA . 16780 1 892 . 1 1 173 173 LEU CB C 13 42.23589 0 . 1 . . . . . 173 Leu CB . 16780 1 893 . 1 1 173 173 LEU N N 15 128.85242 0.03781 . 1 . . . . . 173 Leu N . 16780 1 stop_ save_