data_15102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; IKs producing slow voltage-gated potassium channel subunit beta, KCNE1 ; _BMRB_accession_number 15102 _BMRB_flat_file_name bmr15102.str _Entry_type original _Submission_date 2007-01-19 _Accession_date 2007-01-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'human being voltage-gated potassium channel subunit beta, KCNE1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tian Changlin . . 2 Kim 'Hak jun' . . 3 Sanders Charles . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 401 "13C chemical shifts" 336 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-17 original author . stop_ _Original_release_date 2007-10-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Preparation, Functional Characterization, and NMR Studies of Human KCNE1, a Voltage-Gated Potassium Channel Accessory Subunit Associated with Deafness and Long QT Syndrome(,)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17892302 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tian Changlin . . 2 Vanoye Carlos G. . 3 Kang Congbao . . 4 Welch Richard C. . 5 Kim Hak Jun . 6 George Alfred L. Jr. 7 Sanders Charles R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11459 _Page_last 11472 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KCNE1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KCNE1 $KCNE1 stop_ _System_molecular_weight 35.0 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details 'KCNE1 in detergent micelles' save_ ######################## # Monomeric polymers # ######################## save_KCNE1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KCNE1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; MILSNTTAVTPFLTKLWQET VQQGGNMSGLARRSPRSGDG KLEALYVLMVLGFFGFFTLG IMLSYIRSKKLEHSNDPFNV YIESDAWQEKDKAYVQARVL ESYKSCYVVENHLAIEQPNT HLPETKPSP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 LEU 4 SER 5 ASN 6 THR 7 THR 8 ALA 9 VAL 10 THR 11 PRO 12 PHE 13 LEU 14 THR 15 LYS 16 LEU 17 TRP 18 GLN 19 GLU 20 THR 21 VAL 22 GLN 23 GLN 24 GLY 25 GLY 26 ASN 27 MET 28 SER 29 GLY 30 LEU 31 ALA 32 ARG 33 ARG 34 SER 35 PRO 36 ARG 37 SER 38 GLY 39 ASP 40 GLY 41 LYS 42 LEU 43 GLU 44 ALA 45 LEU 46 TYR 47 VAL 48 LEU 49 MET 50 VAL 51 LEU 52 GLY 53 PHE 54 PHE 55 GLY 56 PHE 57 PHE 58 THR 59 LEU 60 GLY 61 ILE 62 MET 63 LEU 64 SER 65 TYR 66 ILE 67 ARG 68 SER 69 LYS 70 LYS 71 LEU 72 GLU 73 HIS 74 SER 75 ASN 76 ASP 77 PRO 78 PHE 79 ASN 80 VAL 81 TYR 82 ILE 83 GLU 84 SER 85 ASP 86 ALA 87 TRP 88 GLN 89 GLU 90 LYS 91 ASP 92 LYS 93 ALA 94 TYR 95 VAL 96 GLN 97 ALA 98 ARG 99 VAL 100 LEU 101 GLU 102 SER 103 TYR 104 LYS 105 SER 106 CYS 107 TYR 108 VAL 109 VAL 110 GLU 111 ASN 112 HIS 113 LEU 114 ALA 115 ILE 116 GLU 117 GLN 118 PRO 119 ASN 120 THR 121 HIS 122 LEU 123 PRO 124 GLU 125 THR 126 LYS 127 PRO 128 SER 129 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K21 "Nmr Structure Of Human Kcne1 In Lmpg Micelles At Ph 6.0 And 40 Degree C" 100.00 138 100.00 100.00 9.54e-91 DBJ BAG36319 "unnamed protein product [Homo sapiens]" 100.00 129 99.22 100.00 1.43e-90 DBJ BAG65181 "unnamed protein product [Homo sapiens]" 79.84 103 98.06 99.03 5.39e-69 DBJ BAG73568 "potassium voltage-gated channel, Isk-related family, member 1 [synthetic construct]" 100.00 129 99.22 100.00 1.43e-90 EMBL CAG46556 "KCNE1 [Homo sapiens]" 100.00 129 99.22 100.00 1.43e-90 GB AAA36129 "IsK protein [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 GB AAA58418 "cardiac delayed rectifier potassium channel protein [Homo sapiens]" 100.00 129 99.22 100.00 1.43e-90 GB AAA63905 "delayed rectifier potassium channel [Homo sapiens]" 100.00 129 99.22 100.00 1.43e-90 GB AAD25096 "delayed rectifier potassium channel subunit IsK [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 GB AAH36452 "KCNE1 protein [Homo sapiens]" 81.40 105 98.10 99.05 3.15e-69 REF NP_000210 "potassium voltage-gated channel subfamily E member 1 [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 REF NP_001121140 "potassium voltage-gated channel subfamily E member 1 [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 REF NP_001121141 "potassium voltage-gated channel subfamily E member 1 [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 REF NP_001121142 "potassium voltage-gated channel subfamily E member 1 [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 REF NP_001257331 "potassium voltage-gated channel subfamily E member 1 [Homo sapiens]" 100.00 129 98.45 99.22 1.16e-89 SP P15382 "RecName: Full=Potassium voltage-gated channel subfamily E member 1; AltName: Full=Delayed rectifier potassium channel subunit I" 100.00 129 98.45 99.22 1.16e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KCNE1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $KCNE1 'recombinant technology' . Escherichia coli 'BL21(DE3) CodonPlus RP' pET16b 'With the overhead sequence MGHHHHHHG uncleaved before wild type KCNE1 sequence' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details 'KCNE1 in LMPG detergent micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE1 1 mM '[U-100% 13C; U-100% 15N; 80% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 6.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details 'NMR facility in University of Georgia' save_ save_nmr_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 800 _Details 'Vanderbilt University' save_ save_nmr_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details 'Vanderbilt University' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 6.0 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'DSS as 0 ppm 1H chemical shift' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KCNE1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.301 0.02 1 2 1 1 MET HA H 4.346 0.02 1 3 1 1 MET HB2 H 1.98383 0.02 1 4 1 1 MET HB3 H 1.98383 0.02 1 5 1 1 MET HG2 H 2.441 0.02 1 6 1 1 MET HG3 H 2.441 0.02 1 7 1 1 MET C C 176.381 0.1 1 8 1 1 MET CA C 55.801 0.1 1 9 1 1 MET CB C 32.122 0.1 1 10 1 1 MET N N 119.823 0.2 1 11 2 2 ILE H H 8.075 0.02 1 12 2 2 ILE HA H 3.966 0.02 1 13 2 2 ILE HB H 1.844 0.02 1 14 2 2 ILE HG12 H 1.451 0.02 1 15 2 2 ILE HG13 H 1.451 0.02 1 16 2 2 ILE HG2 H 1.067 0.02 1 17 2 2 ILE HD1 H 0.793 0.02 1 18 2 2 ILE C C 176.150 0.1 1 19 2 2 ILE CA C 62.014 0.1 1 20 2 2 ILE CB C 37.414 0.1 1 21 2 2 ILE N N 119.834 0.2 1 22 3 3 LEU H H 8.065 0.02 1 23 3 3 LEU HA H 4.223 0.02 1 24 3 3 LEU HB2 H 1.568 0.02 1 25 3 3 LEU HB3 H 1.568 0.02 1 26 3 3 LEU HD1 H 0.797 0.02 1 27 3 3 LEU HD2 H 0.797 0.02 1 28 3 3 LEU C C 177.239 0.1 1 29 3 3 LEU CA C 55.164 0.1 1 30 3 3 LEU CB C 40.875 0.1 1 31 3 3 LEU N N 121.150 0.2 1 32 4 4 SER H H 8.090 0.02 1 33 4 4 SER HA H 4.302 0.02 1 34 4 4 SER HB2 H 3.839 0.02 2 35 4 4 SER HB3 H 3.804 0.02 2 36 4 4 SER C C 174.701 0.1 1 37 4 4 SER CA C 58.993 0.1 1 38 4 4 SER CB C 62.954 0.1 1 39 4 4 SER N N 114.138 0.2 1 40 5 5 ASN H H 8.139 0.02 1 41 5 5 ASN HA H 4.788 0.02 1 42 5 5 ASN HB2 H 2.850 0.02 2 43 5 5 ASN HB3 H 2.710 0.02 2 44 5 5 ASN C C 175.650 0.1 1 45 5 5 ASN CA C 53.413 0.1 1 46 5 5 ASN CB C 38.357 0.1 1 47 5 5 ASN N N 118.587 0.2 1 48 6 6 THR H H 8.152 0.02 1 49 6 6 THR HB H 4.233 0.02 1 50 6 6 THR HG2 H 1.156 0.02 1 51 6 6 THR C C 175.945 0.1 1 52 6 6 THR CA C 63.513 0.1 1 53 6 6 THR CB C 68.228 0.1 1 54 6 6 THR N N 112.303 0.2 1 55 7 7 THR H H 7.963 0.02 1 56 7 7 THR HB H 4.2449 0.02 1 57 7 7 THR HG2 H 1.200 0.02 1 58 7 7 THR C C 175.255 0.1 1 59 7 7 THR CA C 63.491 0.1 1 60 7 7 THR CB C 68.689 0.1 1 61 7 7 THR N N 114.661 0.2 1 62 8 8 ALA H H 8.031 0.02 1 63 8 8 ALA HB H 1.406 0.02 1 64 8 8 ALA C C 178.197 0.1 1 65 8 8 ALA CA C 52.891 0.1 1 66 8 8 ALA CB C 18.595 0.1 1 67 8 8 ALA N N 122.803 0.2 1 68 9 9 VAL H H 7.786 0.02 1 69 9 9 VAL HB H 2.175 0.02 1 70 9 9 VAL HG1 H 0.969 0.02 1 71 9 9 VAL HG2 H 0.969 0.02 1 72 9 9 VAL C C 176.709 0.1 1 73 9 9 VAL CA C 63.375 0.1 1 74 9 9 VAL CB C 31.680 0.1 1 75 9 9 VAL N N 113.428 0.2 1 76 10 10 THR H H 8.155 0.02 1 77 10 10 THR CA C 67.581 0.1 1 78 10 10 THR CB C 66.744 0.1 1 79 10 10 THR N N 115.932 0.2 1 80 11 11 PRO HD2 H 3.584 0.02 1 81 11 11 PRO HD3 H 3.584 0.02 1 82 11 11 PRO C C 178.946 0.1 1 83 11 11 PRO CA C 65.715 0.1 1 84 11 11 PRO CB C 30.134 0.1 1 85 12 12 PHE H H 7.516 0.02 1 86 12 12 PHE HB2 H 3.260 0.02 2 87 12 12 PHE HB3 H 3.122 0.02 2 88 12 12 PHE C C 177.174 0.1 1 89 12 12 PHE CA C 60.562 0.1 1 90 12 12 PHE CB C 38.593 0.1 1 91 12 12 PHE N N 117.208 0.2 1 92 13 13 LEU H H 8.116 0.02 1 93 13 13 LEU HB2 H 1.892 0.02 1 94 13 13 LEU HB3 H 1.892 0.02 1 95 13 13 LEU HD1 H 0.857 0.02 1 96 13 13 LEU HD2 H 0.857 0.02 1 97 13 13 LEU C C 178.503 0.1 1 98 13 13 LEU CA C 57.268 0.1 1 99 13 13 LEU CB C 40.754 0.1 1 100 13 13 LEU N N 117.972 0.2 1 101 14 14 THR H H 8.418 0.02 1 102 14 14 THR HB H 4.205 0.02 1 103 14 14 THR HG2 H 1.178 0.02 1 104 14 14 THR C C 176.369 0.1 1 105 14 14 THR CA C 66.395 0.1 1 106 14 14 THR CB C 67.799 0.1 1 107 14 14 THR N N 113.407 0.2 1 108 15 15 LYS H H 7.629 0.02 1 109 15 15 LYS HB2 H 1.827 0.02 1 110 15 15 LYS HB3 H 1.827 0.02 1 111 15 15 LYS C C 178.423 0.1 1 112 15 15 LYS CA C 58.828 0.1 1 113 15 15 LYS CB C 31.119 0.1 1 114 15 15 LYS N N 122.373 0.2 1 115 16 16 LEU H H 7.936 0.02 1 116 16 16 LEU HB2 H 1.49239 0.02 1 117 16 16 LEU HB3 H 1.49239 0.02 1 118 16 16 LEU HG H 1.515 0.02 1 119 16 16 LEU HD1 H 0.739 0.02 1 120 16 16 LEU HD2 H 0.739 0.02 1 121 16 16 LEU C C 179.891 0.1 1 122 16 16 LEU CA C 57.502 0.1 1 123 16 16 LEU CB C 40.885 0.1 1 124 16 16 LEU N N 119.172 0.2 1 125 17 17 TRP H H 8.570 0.02 1 126 17 17 TRP HB2 H 3.440 0.02 2 127 17 17 TRP HB3 H 3.269 0.02 2 128 17 17 TRP C C 177.248 0.1 1 129 17 17 TRP CA C 59.987 0.1 1 130 17 17 TRP CB C 28.919 0.1 1 131 17 17 TRP N N 121.176 0.2 1 132 18 18 GLN H H 8.382 0.02 1 133 18 18 GLN HA H 4.275 0.02 1 134 18 18 GLN HB2 H 1.964 0.02 2 135 18 18 GLN HB3 H 1.877 0.02 2 136 18 18 GLN HG2 H 2.203 0.02 1 137 18 18 GLN HG3 H 2.203 0.02 1 138 18 18 GLN C C 178.750 0.1 1 139 18 18 GLN CA C 58.524 0.1 1 140 18 18 GLN CB C 27.645 0.1 1 141 18 18 GLN N N 116.901 0.2 1 142 19 19 GLU H H 8.276 0.02 1 143 19 19 GLU HB2 H 2.018 0.02 1 144 19 19 GLU HB3 H 2.018 0.02 1 145 19 19 GLU HG2 H 2.314 0.02 1 146 19 19 GLU HG3 H 2.314 0.02 1 147 19 19 GLU C C 177.861 0.1 1 148 19 19 GLU CA C 57.765 0.1 1 149 19 19 GLU CB C 28.458 0.1 1 150 19 19 GLU N N 116.051 0.2 1 151 20 20 THR H H 7.830 0.02 1 152 20 20 THR HB H 4.032 0.02 1 153 20 20 THR HG2 H 1.189 0.02 1 154 20 20 THR C C 175.936 0.1 1 155 20 20 THR CA C 65.319 0.1 1 156 20 20 THR CB C 68.111 0.1 1 157 20 20 THR N N 114.517 0.2 1 158 21 21 VAL H H 7.942 0.02 1 159 21 21 VAL HA H 3.459 0.02 1 160 21 21 VAL HG1 H 0.435 0.02 1 161 21 21 VAL HG2 H 0.287 0.02 1 162 21 21 VAL C C 177.781 0.1 1 163 21 21 VAL CA C 64.536 0.1 1 164 21 21 VAL CB C 30.609 0.1 1 165 21 21 VAL N N 119.476 0.2 1 166 22 22 GLN H H 7.606 0.02 1 167 22 22 GLN HA H 3.989 0.02 1 168 22 22 GLN HB2 H 1.979 0.02 1 169 22 22 GLN HB3 H 1.979 0.02 1 170 22 22 GLN HG2 H 2.229 0.02 1 171 22 22 GLN HG3 H 2.229 0.02 1 172 22 22 GLN C C 177.303 0.1 1 173 22 22 GLN CA C 57.141 0.1 1 174 22 22 GLN CB C 27.931 0.1 1 175 22 22 GLN N N 117.928 0.2 1 176 23 23 GLN H H 7.892 0.02 1 177 23 23 GLN HA H 4.176 0.02 1 178 23 23 GLN HB2 H 1.926 0.02 1 179 23 23 GLN HB3 H 1.926 0.02 1 180 23 23 GLN HG2 H 2.306 0.02 1 181 23 23 GLN HG3 H 2.306 0.02 1 182 23 23 GLN C C 177.186 0.1 1 183 23 23 GLN CA C 55.941 0.1 1 184 23 23 GLN CB C 27.783 0.1 1 185 23 23 GLN N N 117.070 0.2 1 186 24 24 GLY H H 8.146 0.02 1 187 24 24 GLY HA2 H 3.793 0.02 1 188 24 24 GLY HA3 H 3.793 0.02 1 189 24 24 GLY C C 174.794 0.1 1 190 24 24 GLY CA C 45.790 0.1 1 191 24 24 GLY N N 107.935 0.2 1 192 25 25 GLY H H 8.178 0.02 1 193 25 25 GLY HA2 H 3.825 0.02 1 194 25 25 GLY HA3 H 3.825 0.02 1 195 25 25 GLY C C 174.383 0.1 1 196 25 25 GLY CA C 45.427 0.1 1 197 25 25 GLY N N 107.908 0.2 1 198 26 26 ASN H H 8.183 0.02 1 199 26 26 ASN HA H 4.621 0.02 1 200 26 26 ASN HB2 H 2.779 0.02 1 201 26 26 ASN HB3 H 2.779 0.02 1 202 26 26 ASN C C 176.054 0.1 1 203 26 26 ASN CA C 53.526 0.1 1 204 26 26 ASN CB C 38.104 0.1 1 205 26 26 ASN N N 118.379 0.2 1 206 27 27 MET H H 8.399 0.02 1 207 27 27 MET HA H 4.334 0.02 1 208 27 27 MET HG2 H 2.536 0.02 2 209 27 27 MET HG3 H 2.416 0.02 2 210 27 27 MET HE H 2.027 0.02 1 211 27 27 MET C C 176.818 0.1 1 212 27 27 MET CA C 56.111 0.1 1 213 27 27 MET CB C 31.841 0.1 1 214 27 27 MET N N 119.398 0.2 1 215 28 28 SER H H 8.189 0.02 1 216 28 28 SER HB2 H 3.841 0.02 1 217 28 28 SER HB3 H 3.841 0.02 1 218 28 28 SER C C 175.766 0.1 1 219 28 28 SER CA C 59.923 0.1 1 220 28 28 SER CB C 62.577 0.1 1 221 28 28 SER N N 114.719 0.2 1 222 29 29 GLY H H 8.282 0.02 1 223 29 29 GLY HA2 H 3.844 0.02 1 224 29 29 GLY HA3 H 3.844 0.02 1 225 29 29 GLY C C 175.177 0.1 1 226 29 29 GLY CA C 45.700 0.1 1 227 29 29 GLY N N 109.355 0.2 1 228 30 30 LEU H H 7.801 0.02 1 229 30 30 LEU HA H 4.080 0.02 1 230 30 30 LEU HB2 H 1.67047 0.02 2 231 30 30 LEU HB3 H 1.50048 0.02 2 232 30 30 LEU HG H 1.499 0.02 1 233 30 30 LEU HD1 H 0.810 0.02 1 234 30 30 LEU HD2 H 0.810 0.02 1 235 30 30 LEU C C 177.289 0.1 1 236 30 30 LEU CA C 55.951 0.1 1 237 30 30 LEU CB C 41.191 0.1 1 238 30 30 LEU N N 120.667 0.2 1 239 31 31 ALA H H 7.897 0.02 1 240 31 31 ALA HB H 1.329 0.02 1 241 31 31 ALA C C 177.727 0.1 1 242 31 31 ALA CA C 52.681 0.1 1 243 31 31 ALA CB C 18.009 0.1 1 244 31 31 ALA N N 119.861 0.2 1 245 32 32 ARG H H 7.795 0.02 1 246 32 32 ARG HB2 H 1.728 0.02 2 247 32 32 ARG HB3 H 1.591 0.02 2 248 32 32 ARG C C 176.225 0.1 1 249 32 32 ARG CA C 55.948 0.1 1 250 32 32 ARG CB C 29.605 0.1 1 251 32 32 ARG N N 116.855 0.2 1 252 33 33 ARG H H 7.942 0.02 1 253 33 33 ARG C C 175.471 0.1 1 254 33 33 ARG CA C 55.270 0.1 1 255 33 33 ARG CB C 29.868 0.1 1 256 33 33 ARG N N 119.476 0.2 1 257 34 34 SER H H 8.055 0.02 1 258 34 34 SER HB2 H 3.838 0.02 1 259 34 34 SER HB3 H 3.838 0.02 1 260 34 34 SER CA C 56.067 0.1 1 261 34 34 SER CB C 62.956 0.1 1 262 34 34 SER N N 116.290 0.2 1 263 35 35 PRO HA H 4.124 0.02 1 264 35 35 PRO HB2 H 1.673 0.02 2 265 35 35 PRO HB3 H 1.534 0.02 2 266 35 35 PRO HG2 H 1.298 0.02 1 267 35 35 PRO HG3 H 1.298 0.02 1 268 35 35 PRO HD2 H 2.851 0.02 1 269 35 35 PRO HD3 H 2.851 0.02 1 270 35 35 PRO C C 176.415 0.1 1 271 35 35 PRO CA C 62.988 0.1 1 272 35 35 PRO CB C 31.057 0.1 1 273 36 36 ARG H H 8.333 0.02 1 274 36 36 ARG HA H 4.345 0.02 1 275 36 36 ARG HB2 H 1.667 0.02 2 276 36 36 ARG HB3 H 1.803 0.02 2 277 36 36 ARG HG2 H 1.540 0.02 1 278 36 36 ARG HG3 H 1.540 0.02 1 279 36 36 ARG HD2 H 3.102 0.02 1 280 36 36 ARG HD3 H 3.102 0.02 1 281 36 36 ARG C C 176.241 0.1 1 282 36 36 ARG CA C 55.373 0.1 1 283 36 36 ARG CB C 30.086 0.1 1 284 36 36 ARG N N 119.666 0.2 1 285 37 37 SER H H 8.344 0.02 1 286 37 37 SER HB2 H 3.898 0.02 2 287 37 37 SER HB3 H 3.790 0.02 2 288 37 37 SER C C 175.123 0.1 1 289 37 37 SER CA C 58.082 0.1 1 290 37 37 SER CB C 63.469 0.1 1 291 37 37 SER N N 115.986 0.2 1 292 38 38 GLY H H 8.522 0.02 1 293 38 38 GLY HA2 H 3.909 0.02 1 294 38 38 GLY HA3 H 3.909 0.02 1 295 38 38 GLY C C 174.027 0.1 1 296 38 38 GLY CA C 45.331 0.1 1 297 38 38 GLY N N 110.719 0.2 1 298 39 39 ASP H H 8.156 0.02 1 299 39 39 ASP HA H 4.563 0.02 1 300 39 39 ASP HB2 H 2.646 0.02 1 301 39 39 ASP HB3 H 2.646 0.02 1 302 39 39 ASP C C 176.787 0.1 1 303 39 39 ASP CA C 53.844 0.1 1 304 39 39 ASP CB C 40.484 0.1 1 305 39 39 ASP N N 119.663 0.2 1 306 40 40 GLY H H 8.464 0.02 1 307 40 40 GLY HA2 H 3.821 0.02 1 308 40 40 GLY HA3 H 3.821 0.02 1 309 40 40 GLY C C 174.786 0.1 1 310 40 40 GLY CA C 45.917 0.1 1 311 40 40 GLY N N 109.532 0.2 1 312 41 41 LYS H H 8.123 0.02 1 313 41 41 LYS HG2 H 1.382 0.02 1 314 41 41 LYS HG3 H 1.382 0.02 1 315 41 41 LYS HD2 H 1.749 0.02 1 316 41 41 LYS HD3 H 1.749 0.02 1 317 41 41 LYS C C 177.259 0.1 1 318 41 41 LYS CA C 57.848 0.1 1 319 41 41 LYS CB C 31.679 0.1 1 320 41 41 LYS N N 120.329 0.2 1 321 42 42 LEU H H 8.075 0.02 1 322 42 42 LEU C C 176.844 0.1 1 323 42 42 LEU CA C 56.198 0.1 1 324 42 42 LEU N N 119.834 0.2 1 325 43 43 GLU H H 8.124 0.02 1 326 43 43 GLU CA C 58.411 0.1 1 327 43 43 GLU N N 120.860 0.2 1 328 44 44 ALA C C 177.142 0.1 1 329 44 44 ALA CA C 52.109 0.1 1 330 44 44 ALA CB C 18.489 0.1 1 331 45 45 LEU H H 7.852 0.02 1 332 45 45 LEU C C 176.338 0.1 1 333 45 45 LEU CA C 55.498 0.1 1 334 45 45 LEU CB C 29.753 0.1 1 335 45 45 LEU N N 117.694 0.2 1 336 46 46 TYR H H 7.892 0.02 1 337 46 46 TYR HA H 4.383 0.02 1 338 46 46 TYR HB2 H 2.670 0.02 1 339 46 46 TYR HB3 H 2.670 0.02 1 340 46 46 TYR C C 177.789 0.1 1 341 46 46 TYR CA C 58.900 0.1 1 342 46 46 TYR N N 120.873 0.2 1 343 47 47 VAL H H 8.057 0.02 1 344 47 47 VAL C C 177.868 0.1 1 345 47 47 VAL CA C 66.746 0.1 1 346 47 47 VAL CB C 30.603 0.1 1 347 47 47 VAL N N 118.541 0.2 1 348 48 48 LEU H H 8.467 0.02 1 349 48 48 LEU HD1 H 0.790 0.02 1 350 48 48 LEU HD2 H 0.790 0.02 1 351 48 48 LEU C C 178.579 0.1 1 352 48 48 LEU CA C 57.845 0.1 1 353 48 48 LEU CB C 40.512 0.1 1 354 48 48 LEU N N 118.746 0.2 1 355 49 49 MET H H 8.320 0.02 1 356 49 49 MET CA C 58.982 0.1 1 357 49 49 MET N N 116.903 0.2 1 358 50 50 VAL C C 176.312 0.1 1 359 50 50 VAL CA C 67.110 0.1 1 360 51 51 LEU H H 8.166 0.02 1 361 51 51 LEU C C 179.154 0.1 1 362 51 51 LEU CA C 57.679 0.1 1 363 51 51 LEU CB C 40.428 0.1 1 364 51 51 LEU N N 121.032 0.2 1 365 52 52 GLY H H 8.871 0.02 1 366 52 52 GLY C C 174.684 0.1 1 367 52 52 GLY CA C 46.944 0.1 1 368 52 52 GLY N N 106.337 0.2 1 369 53 53 PHE H H 8.591 0.02 1 370 53 53 PHE HB2 H 3.100 0.02 1 371 53 53 PHE HB3 H 3.100 0.02 1 372 53 53 PHE C C 177.288 0.1 1 373 53 53 PHE CA C 61.716 0.1 1 374 53 53 PHE CB C 38.203 0.1 1 375 53 53 PHE N N 121.321 0.2 1 376 54 54 PHE H H 8.709 0.02 1 377 54 54 PHE HB2 H 3.107 0.02 1 378 54 54 PHE HB3 H 3.107 0.02 1 379 54 54 PHE C C 179.168 0.1 1 380 54 54 PHE CA C 61.494 0.1 1 381 54 54 PHE CB C 37.986 0.1 1 382 54 54 PHE N N 117.430 0.2 1 383 55 55 GLY H H 9.197 0.02 1 384 55 55 GLY C C 173.811 0.1 1 385 55 55 GLY CA C 47.112 0.1 1 386 55 55 GLY N N 109.945 0.2 1 387 56 56 PHE H H 8.573 0.02 1 388 56 56 PHE HB2 H 3.004 0.02 1 389 56 56 PHE HB3 H 3.004 0.02 1 390 56 56 PHE C C 177.282 0.1 1 391 56 56 PHE CA C 61.321 0.1 1 392 56 56 PHE CB C 38.142 0.1 1 393 56 56 PHE N N 121.059 0.2 1 394 57 57 PHE H H 8.502 0.02 1 395 57 57 PHE C C 177.187 0.1 1 396 57 57 PHE CA C 60.919 0.1 1 397 57 57 PHE N N 118.159 0.2 1 398 58 58 THR H H 8.085 0.02 1 399 58 58 THR C C 177.491 0.1 1 400 58 58 THR CA C 65.580 0.1 1 401 58 58 THR N N 118.723 0.2 1 402 59 59 LEU H H 8.183 0.02 1 403 59 59 LEU C C 175.698 0.1 1 404 59 59 LEU CA C 57.854 0.1 1 405 59 59 LEU N N 118.379 0.2 1 406 60 60 GLY H H 8.320 0.02 1 407 60 60 GLY C C 174.837 0.1 1 408 60 60 GLY CA C 47.180 0.1 1 409 60 60 GLY N N 105.629 0.2 1 410 61 61 ILE H H 8.180 0.02 1 411 61 61 ILE CA C 58.080 0.1 1 412 61 61 ILE N N 120.363 0.2 1 413 62 62 MET HG2 H 2.568 0.02 1 414 62 62 MET HG3 H 2.568 0.02 1 415 62 62 MET HE H 2.327 0.02 1 416 62 62 MET C C 178.272 0.1 1 417 62 62 MET CA C 58.759 0.1 1 418 63 63 LEU H H 8.776 0.02 1 419 63 63 LEU HD1 H 0.764 0.02 1 420 63 63 LEU HD2 H 0.764 0.02 1 421 63 63 LEU C C 179.063 0.1 1 422 63 63 LEU CA C 57.554 0.1 1 423 63 63 LEU CB C 40.483 0.1 1 424 63 63 LEU N N 118.080 0.2 1 425 64 64 SER H H 7.997 0.02 1 426 64 64 SER HB2 H 3.984 0.02 1 427 64 64 SER HB3 H 3.984 0.02 1 428 64 64 SER C C 176.653 0.1 1 429 64 64 SER CA C 61.856 0.1 1 430 64 64 SER CB C 62.288 0.1 1 431 64 64 SER N N 114.469 0.2 1 432 65 65 TYR H H 8.355 0.02 1 433 65 65 TYR HB2 H 3.143 0.02 1 434 65 65 TYR HB3 H 3.143 0.02 1 435 65 65 TYR C C 177.868 0.1 1 436 65 65 TYR CA C 61.145 0.1 1 437 65 65 TYR CB C 37.734 0.1 1 438 65 65 TYR N N 123.099 0.2 1 439 66 66 ILE H H 8.468 0.02 1 440 66 66 ILE HB H 1.799 0.02 1 441 66 66 ILE HD1 H 0.823 0.02 1 442 66 66 ILE C C 178.105 0.1 1 443 66 66 ILE CA C 64.438 0.1 1 444 66 66 ILE CB C 37.042 0.1 1 445 66 66 ILE N N 119.005 0.2 1 446 67 67 ARG H H 8.245 0.02 1 447 67 67 ARG C C 177.918 0.1 1 448 67 67 ARG CA C 58.434 0.1 1 449 67 67 ARG CB C 28.913 0.1 1 450 67 67 ARG N N 118.744 0.2 1 451 68 68 SER H H 7.899 0.02 1 452 68 68 SER HB2 H 3.906 0.02 1 453 68 68 SER HB3 H 3.906 0.02 1 454 68 68 SER C C 175.751 0.1 1 455 68 68 SER CA C 60.440 0.1 1 456 68 68 SER CB C 62.519 0.1 1 457 68 68 SER N N 114.056 0.2 1 458 69 69 LYS H H 7.751 0.02 1 459 69 69 LYS C C 177.579 0.1 1 460 69 69 LYS CA C 56.236 0.1 1 461 69 69 LYS CB C 30.765 0.1 1 462 69 69 LYS N N 120.394 0.2 1 463 70 70 LYS H H 7.887 0.02 1 464 70 70 LYS HB2 H 1.740 0.02 2 465 70 70 LYS HB3 H 1.613 0.02 2 466 70 70 LYS HG2 H 1.328 0.02 1 467 70 70 LYS HG3 H 1.328 0.02 1 468 70 70 LYS C C 177.454 0.1 1 469 70 70 LYS CA C 56.671 0.1 1 470 70 70 LYS CB C 31.311 0.1 1 471 70 70 LYS N N 118.737 0.2 1 472 71 71 LEU H H 7.897 0.02 1 473 71 71 LEU C C 177.629 0.1 1 474 71 71 LEU CA C 55.128 0.1 1 475 71 71 LEU CB C 41.164 0.1 1 476 71 71 LEU N N 120.056 0.2 1 477 72 72 GLU H H 8.070 0.02 1 478 72 72 GLU HB2 H 2.161 0.02 2 479 72 72 GLU HB3 H 2.059 0.02 2 480 72 72 GLU C C 177.134 0.1 1 481 72 72 GLU CA C 56.522 0.1 1 482 72 72 GLU CB C 29.075 0.1 1 483 72 72 GLU N N 119.437 0.2 1 484 73 73 HIS H H 8.244 0.02 1 485 73 73 HIS HB2 H 3.226 0.02 2 486 73 73 HIS HB3 H 3.070 0.02 2 487 73 73 HIS C C 174.599 0.1 1 488 73 73 HIS CA C 55.053 0.1 1 489 73 73 HIS CB C 28.202 0.1 1 490 73 73 HIS N N 117.400 0.2 1 491 74 74 SER H H 8.194 0.02 1 492 74 74 SER HB2 H 3.778 0.02 1 493 74 74 SER HB3 H 3.778 0.02 1 494 74 74 SER C C 174.152 0.1 1 495 74 74 SER CA C 58.467 0.1 1 496 74 74 SER CB C 63.016 0.1 1 497 74 74 SER N N 115.821 0.2 1 498 75 75 ASN H H 8.450 0.02 1 499 75 75 ASN HA H 4.672 0.02 1 500 75 75 ASN HB2 H 2.747 0.02 2 501 75 75 ASN HB3 H 2.638 0.02 2 502 75 75 ASN C C 174.306 0.1 1 503 75 75 ASN CA C 52.680 0.1 1 504 75 75 ASN CB C 38.439 0.1 1 505 75 75 ASN N N 119.899 0.2 1 506 76 76 ASP H H 8.063 0.02 1 507 76 76 ASP CA C 52.056 0.1 1 508 76 76 ASP CB C 40.614 0.1 1 509 76 76 ASP N N 120.802 0.2 1 510 77 77 PRO HA H 4.247 0.02 1 511 77 77 PRO HB2 H 2.048 0.02 2 512 77 77 PRO HB3 H 1.797 0.02 2 513 77 77 PRO HG2 H 1.551 0.02 1 514 77 77 PRO HG3 H 1.551 0.02 1 515 77 77 PRO HD2 H 3.680 0.02 2 516 77 77 PRO HD3 H 3.571 0.02 2 517 77 77 PRO C C 176.766 0.1 1 518 77 77 PRO CA C 63.636 0.1 1 519 78 78 PHE H H 8.244 0.02 1 520 78 78 PHE HB2 H 3.079 0.02 2 521 78 78 PHE HB3 H 2.972 0.02 2 522 78 78 PHE C C 175.801 0.1 1 523 78 78 PHE CA C 58.469 0.1 1 524 78 78 PHE N N 117.400 0.2 1 525 79 79 ASN H H 8.009 0.02 1 526 79 79 ASN HA H 4.430 0.02 1 527 79 79 ASN HB2 H 2.662 0.02 1 528 79 79 ASN HB3 H 2.662 0.02 1 529 79 79 ASN C C 175.647 0.1 1 530 79 79 ASN CA C 54.323 0.1 1 531 79 79 ASN CB C 38.264 0.1 1 532 79 79 ASN N N 118.694 0.2 1 533 80 80 VAL H H 7.824 0.02 1 534 80 80 VAL HG1 H 0.867 0.02 1 535 80 80 VAL HG2 H 0.751 0.02 1 536 80 80 VAL C C 176.948 0.1 1 537 80 80 VAL CA C 63.169 0.1 1 538 80 80 VAL CB C 31.690 0.1 1 539 80 80 VAL N N 118.040 0.2 1 540 81 81 TYR H H 8.224 0.02 1 541 81 81 TYR HB2 H 3.101 0.02 2 542 81 81 TYR HB3 H 3.173 0.02 2 543 81 81 TYR C C 175.510 0.1 1 544 81 81 TYR CA C 57.963 0.1 1 545 81 81 TYR CB C 38.263 0.1 1 546 81 81 TYR N N 117.572 0.2 1 547 82 82 ILE H H 7.942 0.02 1 548 82 82 ILE CA C 53.161 0.1 1 549 82 82 ILE CB C 38.356 0.1 1 550 82 82 ILE N N 119.476 0.2 1 551 83 83 GLU C C 176.455 0.1 1 552 83 83 GLU CA C 56.111 0.1 1 553 83 83 GLU CB C 28.815 0.1 1 554 84 84 SER H H 7.995 0.02 1 555 84 84 SER HB2 H 3.949 0.02 1 556 84 84 SER HB3 H 3.949 0.02 1 557 84 84 SER C C 174.695 0.1 1 558 84 84 SER CA C 58.452 0.1 1 559 84 84 SER CB C 63.562 0.1 1 560 84 84 SER N N 115.821 0.2 1 561 85 85 ASP H H 8.402 0.02 1 562 85 85 ASP HA H 4.460 0.02 1 563 85 85 ASP HB2 H 2.584 0.02 1 564 85 85 ASP HB3 H 2.584 0.02 1 565 85 85 ASP C C 176.536 0.1 1 566 85 85 ASP CA C 54.820 0.1 1 567 85 85 ASP CB C 39.941 0.1 1 568 85 85 ASP N N 121.342 0.2 1 569 86 86 ALA H H 8.006 0.02 1 570 86 86 ALA HB H 1.222 0.02 1 571 86 86 ALA C C 178.278 0.1 1 572 86 86 ALA CA C 53.392 0.1 1 573 86 86 ALA CB C 18.018 0.1 1 574 86 86 ALA N N 122.063 0.2 1 575 87 87 TRP H H 7.794 0.02 1 576 87 87 TRP CA C 57.605 0.1 1 577 87 87 TRP CB C 28.930 0.1 1 578 87 87 TRP N N 117.903 0.2 1 579 90 90 LYS C C 175.222 0.1 1 580 90 90 LYS CA C 55.522 0.1 1 581 90 90 LYS CB C 29.846 0.1 1 582 91 91 ASP H H 7.998 0.02 1 583 91 91 ASP CA C 55.522 0.1 1 584 91 91 ASP N N 116.002 0.2 1 585 92 92 LYS C C 175.750 0.1 1 586 93 93 ALA H H 7.984 0.02 1 587 93 93 ALA HB H 1.357 0.02 1 588 93 93 ALA C C 179.632 0.1 1 589 93 93 ALA CA C 53.763 0.1 1 590 93 93 ALA N N 118.995 0.2 1 591 94 94 TYR H H 7.848 0.02 1 592 94 94 TYR HB2 H 3.145 0.02 1 593 94 94 TYR HB3 H 3.145 0.02 1 594 94 94 TYR C C 177.987 0.1 1 595 94 94 TYR CA C 60.180 0.1 1 596 94 94 TYR CB C 36.863 0.1 1 597 94 94 TYR N N 119.107 0.2 1 598 95 95 VAL H H 7.907 0.02 1 599 95 95 VAL HB H 2.281 0.02 1 600 95 95 VAL HG1 H 1.03964 0.02 1 601 95 95 VAL HG2 H 0.85713 0.02 1 602 95 95 VAL C C 177.278 0.1 1 603 95 95 VAL CA C 66.621 0.1 1 604 95 95 VAL CB C 30.458 0.1 1 605 95 95 VAL N N 117.529 0.2 1 606 96 96 GLN H H 8.334 0.02 1 607 96 96 GLN N N 117.755 0.02 1 608 97 97 ALA HB H 1.370 0.02 1 609 97 97 ALA C C 179.862 0.1 1 610 97 97 ALA CA C 54.212 0.1 1 611 97 97 ALA CB C 17.405 0.1 1 612 98 98 ARG H H 7.983 0.02 1 613 98 98 ARG HB2 H 1.724 0.02 1 614 98 98 ARG HB3 H 1.724 0.02 1 615 98 98 ARG C C 179.248 0.1 1 616 98 98 ARG CA C 57.269 0.1 1 617 98 98 ARG CB C 28.900 0.1 1 618 98 98 ARG N N 116.963 0.2 1 619 99 99 VAL H H 8.281 0.02 1 620 99 99 VAL HG1 H 0.963 0.02 1 621 99 99 VAL HG2 H 0.963 0.02 1 622 99 99 VAL C C 177.486 0.1 1 623 99 99 VAL CA C 65.701 0.1 1 624 99 99 VAL CB C 28.975 0.1 1 625 99 99 VAL N N 119.972 0.2 1 626 100 100 LEU H H 8.123 0.02 1 627 100 100 LEU C C 178.924 0.1 1 628 100 100 LEU CA C 57.369 0.1 1 629 100 100 LEU N N 119.742 0.2 1 630 101 101 GLU H H 8.136 0.02 1 631 101 101 GLU HA H 4.028 0.02 1 632 101 101 GLU HB2 H 2.049 0.02 1 633 101 101 GLU HB3 H 2.049 0.02 1 634 101 101 GLU HG2 H 2.292 0.02 1 635 101 101 GLU HG3 H 2.292 0.02 1 636 101 101 GLU C C 178.928 0.1 1 637 101 101 GLU CA C 58.203 0.1 1 638 101 101 GLU CB C 28.663 0.1 1 639 101 101 GLU N N 117.547 0.2 1 640 102 102 SER H H 7.925 0.02 1 641 102 102 SER HB2 H 3.797 0.02 2 642 102 102 SER HB3 H 3.938 0.02 2 643 102 102 SER C C 175.483 0.1 1 644 102 102 SER CA C 61.245 0.1 1 645 102 102 SER CB C 62.503 0.1 1 646 102 102 SER N N 115.375 0.2 1 647 103 103 TYR H H 8.175 0.02 1 648 103 103 TYR HB2 H 2.979 0.02 2 649 103 103 TYR HB3 H 3.135 0.02 2 650 103 103 TYR C C 176.599 0.1 1 651 103 103 TYR CA C 60.105 0.1 1 652 103 103 TYR N N 121.680 0.2 1 653 104 104 LYS H H 8.012 0.02 1 654 104 104 LYS HB2 H 1.780 0.02 1 655 104 104 LYS HB3 H 1.780 0.02 1 656 104 104 LYS HG2 H 1.367 0.02 1 657 104 104 LYS HG3 H 1.367 0.02 1 658 104 104 LYS C C 177.540 0.1 1 659 104 104 LYS CA C 58.077 0.1 1 660 104 104 LYS CB C 31.356 0.1 1 661 104 104 LYS N N 118.415 0.2 1 662 105 105 SER H H 7.904 0.02 1 663 105 105 SER HB2 H 3.930 0.02 1 664 105 105 SER HB3 H 3.930 0.02 1 665 105 105 SER C C 174.843 0.1 1 666 105 105 SER CA C 59.404 0.1 1 667 105 105 SER CB C 62.838 0.1 1 668 105 105 SER N N 113.299 0.2 1 669 106 106 CYS H H 7.782 0.02 1 670 106 106 CYS HA H 4.454 0.02 1 671 106 106 CYS HB2 H 2.609 0.02 2 672 106 106 CYS HB3 H 2.523 0.02 2 673 106 106 CYS C C 174.485 0.1 1 674 106 106 CYS CA C 59.775 0.1 1 675 106 106 CYS CB C 27.344 0.1 1 676 106 106 CYS N N 118.447 0.2 1 677 107 107 TYR H H 7.977 0.02 1 678 107 107 TYR HB2 H 2.701 0.02 2 679 107 107 TYR HB3 H 2.874 0.02 2 680 107 107 TYR C C 175.439 0.1 1 681 107 107 TYR CA C 58.456 0.1 1 682 107 107 TYR CB C 38.012 0.1 1 683 107 107 TYR N N 120.148 0.2 1 684 108 108 VAL H H 7.711 0.02 1 685 108 108 VAL HA H 3.915 0.02 1 686 108 108 VAL HG1 H 0.805 0.02 1 687 108 108 VAL HG2 H 0.805 0.02 1 688 108 108 VAL C C 176.153 0.1 1 689 108 108 VAL CA C 62.573 0.1 1 690 108 108 VAL CB C 31.496 0.1 1 691 108 108 VAL N N 119.796 0.2 1 692 109 109 VAL H H 7.864 0.02 1 693 109 109 VAL HA H 3.905 0.02 1 694 109 109 VAL HB H 2.150 0.02 1 695 109 109 VAL HG1 H 0.811 0.02 1 696 109 109 VAL HG2 H 0.811 0.02 1 697 109 109 VAL C C 176.317 0.1 1 698 109 109 VAL CA C 62.562 0.1 1 699 109 109 VAL CB C 31.586 0.1 1 700 109 109 VAL N N 121.946 0.2 1 701 110 110 GLU H H 8.319 0.02 1 702 110 110 GLU HG2 H 2.175 0.02 1 703 110 110 GLU HG3 H 2.175 0.02 1 704 110 110 GLU C C 177.056 0.1 1 705 110 110 GLU CA C 56.549 0.1 1 706 110 110 GLU CB C 29.010 0.1 1 707 110 110 GLU N N 122.447 0.2 1 708 111 111 ASN H H 7.878 0.02 1 709 111 111 ASN HB2 H 2.911 0.02 1 710 111 111 ASN HB3 H 2.911 0.02 1 711 111 111 ASN CA C 52.226 0.1 1 712 111 111 ASN CB C 41.114 0.1 1 713 111 111 ASN N N 120.281 0.2 1 714 112 112 HIS HA H 4.672 0.02 1 715 112 112 HIS HB2 H 2.731 0.02 2 716 112 112 HIS HB3 H 2.618 0.02 2 717 112 112 HIS C C 174.265 0.1 1 718 112 112 HIS CA C 55.523 0.1 1 719 112 112 HIS CB C 28.553 0.1 1 720 113 113 LEU H H 8.087 0.02 1 721 113 113 LEU HA H 4.250 0.02 1 722 113 113 LEU HB2 H 1.478 0.02 1 723 113 113 LEU HB3 H 1.478 0.02 1 724 113 113 LEU HG H 1.567 0.02 1 725 113 113 LEU HD1 H 0.784 0.02 1 726 113 113 LEU HD2 H 0.784 0.02 1 727 113 113 LEU C C 176.628 0.1 1 728 113 113 LEU CA C 54.820 0.1 1 729 113 113 LEU CB C 41.369 0.1 1 730 113 113 LEU N N 121.478 0.2 1 731 114 114 ALA H H 8.129 0.02 1 732 114 114 ALA HB H 1.263 0.02 1 733 114 114 ALA C C 177.184 0.1 1 734 114 114 ALA CA C 51.873 0.1 1 735 114 114 ALA CB C 18.256 0.1 1 736 114 114 ALA N N 124.203 0.2 1 737 115 115 ILE H H 7.873 0.02 1 738 115 115 ILE HA H 4.072 0.02 1 739 115 115 ILE HB H 1.749 0.02 1 740 115 115 ILE HG12 H 1.507 0.02 2 741 115 115 ILE HG2 H 1.047 0.02 1 742 115 115 ILE HD1 H 0.790 0.02 1 743 115 115 ILE C C 176.040 0.1 1 744 115 115 ILE CA C 60.558 0.1 1 745 115 115 ILE CB C 37.986 0.1 1 746 115 115 ILE N N 118.938 0.2 1 747 116 116 GLU H H 8.304 0.02 1 748 116 116 GLU HA H 4.209 0.02 1 749 116 116 GLU HB2 H 1.955 0.02 2 750 116 116 GLU HB3 H 1.843 0.02 2 751 116 116 GLU HG2 H 2.135 0.02 1 752 116 116 GLU HG3 H 2.135 0.02 1 753 116 116 GLU C C 175.927 0.1 1 754 116 116 GLU CA C 55.744 0.1 1 755 116 116 GLU CB C 29.519 0.1 1 756 116 116 GLU N N 124.103 0.2 1 757 117 117 GLN H H 8.357 0.02 1 758 117 117 GLN HG2 H 2.295 0.02 1 759 117 117 GLN HG3 H 2.295 0.02 1 760 117 117 GLN CA C 53.161 0.1 1 761 117 117 GLN CB C 28.185 0.1 1 762 117 117 GLN N N 122.310 0.2 1 763 118 118 PRO HA H 4.325 0.02 1 764 118 118 PRO HB2 H 2.176 0.02 2 765 118 118 PRO HB3 H 1.920 0.02 2 766 118 118 PRO HG2 H 1.813 0.02 1 767 118 118 PRO HG3 H 1.813 0.02 1 768 118 118 PRO HD2 H 3.656 0.02 2 769 118 118 PRO HD3 H 3.587 0.02 2 770 118 118 PRO C C 176.654 0.1 1 771 118 118 PRO CA C 62.892 0.1 1 772 118 118 PRO CB C 31.213 0.1 1 773 119 119 ASN H H 8.502 0.02 1 774 119 119 ASN HA H 4.617 0.02 1 775 119 119 ASN HB2 H 2.725 0.02 1 776 119 119 ASN HB3 H 2.725 0.02 1 777 119 119 ASN C C 175.423 0.1 1 778 119 119 ASN CA C 52.931 0.1 1 779 119 119 ASN CB C 38.099 0.1 1 780 119 119 ASN N N 118.159 0.2 1 781 120 120 THR H H 7.973 0.02 1 782 120 120 THR HB H 4.105 0.02 1 783 120 120 THR HG2 H 1.061 0.02 1 784 120 120 THR C C 174.140 0.1 1 785 120 120 THR CA C 61.480 0.1 1 786 120 120 THR CB C 69.051 0.1 1 787 120 120 THR N N 113.598 0.2 1 788 121 121 HIS H H 8.358 0.02 1 789 121 121 HIS HB2 H 3.105 0.02 2 790 121 121 HIS HB3 H 3.016 0.02 2 791 121 121 HIS C C 174.047 0.1 1 792 121 121 HIS CA C 54.778 0.1 1 793 121 121 HIS CB C 28.507 0.1 1 794 121 121 HIS N N 120.453 0.2 1 795 122 122 LEU H H 8.204 0.02 1 796 122 122 LEU HD1 H 0.965 0.02 1 797 122 122 LEU HD2 H 0.965 0.02 1 798 122 122 LEU CA C 52.799 0.1 1 799 122 122 LEU CB C 40.498 0.1 1 800 122 122 LEU N N 124.823 0.2 1 801 123 123 PRO HA H 4.315 0.02 1 802 123 123 PRO HB2 H 2.193 0.02 2 803 123 123 PRO HB3 H 1.943 0.02 2 804 123 123 PRO HG2 H 1.826 0.02 1 805 123 123 PRO HG3 H 1.826 0.02 1 806 123 123 PRO HD2 H 3.694 0.02 2 807 123 123 PRO HD3 H 3.533 0.02 2 808 123 123 PRO C C 176.774 0.1 1 809 123 123 PRO CA C 62.674 0.1 1 810 123 123 PRO CB C 31.101 0.1 1 811 124 124 GLU H H 8.451 0.02 1 812 124 124 GLU HA H 4.220 0.02 1 813 124 124 GLU HB2 H 1.978 0.02 2 814 124 124 GLU HB3 H 1.879 0.02 2 815 124 124 GLU HG2 H 2.174 0.02 1 816 124 124 GLU HG3 H 2.174 0.02 1 817 124 124 GLU C C 176.523 0.1 1 818 124 124 GLU CA C 56.110 0.1 1 819 124 124 GLU CB C 29.539 0.1 1 820 124 124 GLU N N 120.764 0.2 1 821 125 125 THR H H 8.155 0.02 1 822 125 125 THR HA H 4.215 0.02 1 823 125 125 THR HB H 4.056 0.02 1 824 125 125 THR HG2 H 1.084 0.02 1 825 125 125 THR C C 174.080 0.1 1 826 125 125 THR CA C 61.340 0.1 1 827 125 125 THR CB C 69.231 0.1 1 828 125 125 THR N N 115.932 0.2 1 829 126 126 LYS H H 8.310 0.02 1 830 126 126 LYS CA C 53.643 0.1 1 831 126 126 LYS CB C 31.717 0.1 1 832 126 126 LYS N N 125.108 0.2 1 833 127 127 PRO HA H 4.357 0.02 1 834 127 127 PRO HB2 H 2.182 0.02 2 835 127 127 PRO HB3 H 1.931 0.02 2 836 127 127 PRO HG2 H 1.818 0.02 1 837 127 127 PRO HG3 H 1.818 0.02 1 838 127 127 PRO HD2 H 3.708 0.02 2 839 127 127 PRO HD3 H 3.560 0.02 2 840 127 127 PRO C C 176.563 0.1 1 841 127 127 PRO CA C 62.665 0.1 1 842 127 127 PRO CB C 31.336 0.1 1 843 128 128 SER H H 8.244 0.02 1 844 128 128 SER HB2 H 3.839 0.02 2 845 128 128 SER HB3 H 3.743 0.02 2 846 128 128 SER C C 175.753 0.1 1 847 128 128 SER CA C 55.868 0.1 1 848 128 128 SER CB C 62.879 0.1 1 849 128 128 SER N N 117.400 0.2 1 stop_ save_