data_7008 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Second Ca2+ binding domain of the Na,Ca-exchanger (NCX1) ; _BMRB_accession_number 7008 _BMRB_flat_file_name bmr7008.str _Entry_type original _Submission_date 2006-02-28 _Accession_date 2006-02-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Vuister G. W. . 3 Aelen J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 874 "13C chemical shifts" 483 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7009 'Ca-exchanger (NCX1)' stop_ _Original_release_date 2006-04-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ca(2+) regulation in the na(+)/ca(2+) exchanger involves two markedly different ca(2+) sensors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16600866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Aelen J. . . 3 Vuister G. W. . stop_ _Journal_abbreviation 'Mol. Cell.' _Journal_volume 22 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15 _Page_last 25 _Year 2006 _Details . loop_ _Keyword beta-bulge beta-sandwich 'Ca2+ binding' 'greek key' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Sodium/calcium exchanger 1' _Abbreviation_common 'Sodium/calcium exchanger 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sodium/calcium exchanger 1' $exchanger_1 'CALCIUM (II) ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_exchanger_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sodium/calcium exchanger 1' _Abbreviation_common 'Sodium/calcium exchanger 1' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MSHHHHHHHAGIFTFEEPVT HVSESIGIMEVKVLRTSGAR GNVIVPYKTIEGTARGGGED FEDTCGELEFQNDEIVKTIS VKVIDDEEYEKNKTFFLEIG EPRLVEMSEKKGGFTITEEY DDKQPLTSKEEEERRIAEMG RPILGEHTKLEVIIEESYEF KSTVD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 ALA 11 GLY 12 ILE 13 PHE 14 THR 15 PHE 16 GLU 17 GLU 18 PRO 19 VAL 20 THR 21 HIS 22 VAL 23 SER 24 GLU 25 SER 26 ILE 27 GLY 28 ILE 29 MET 30 GLU 31 VAL 32 LYS 33 VAL 34 LEU 35 ARG 36 THR 37 SER 38 GLY 39 ALA 40 ARG 41 GLY 42 ASN 43 VAL 44 ILE 45 VAL 46 PRO 47 TYR 48 LYS 49 THR 50 ILE 51 GLU 52 GLY 53 THR 54 ALA 55 ARG 56 GLY 57 GLY 58 GLY 59 GLU 60 ASP 61 PHE 62 GLU 63 ASP 64 THR 65 CYS 66 GLY 67 GLU 68 LEU 69 GLU 70 PHE 71 GLN 72 ASN 73 ASP 74 GLU 75 ILE 76 VAL 77 LYS 78 THR 79 ILE 80 SER 81 VAL 82 LYS 83 VAL 84 ILE 85 ASP 86 ASP 87 GLU 88 GLU 89 TYR 90 GLU 91 LYS 92 ASN 93 LYS 94 THR 95 PHE 96 PHE 97 LEU 98 GLU 99 ILE 100 GLY 101 GLU 102 PRO 103 ARG 104 LEU 105 VAL 106 GLU 107 MET 108 SER 109 GLU 110 LYS 111 LYS 112 GLY 113 GLY 114 PHE 115 THR 116 ILE 117 THR 118 GLU 119 GLU 120 TYR 121 ASP 122 ASP 123 LYS 124 GLN 125 PRO 126 LEU 127 THR 128 SER 129 LYS 130 GLU 131 GLU 132 GLU 133 GLU 134 ARG 135 ARG 136 ILE 137 ALA 138 GLU 139 MET 140 GLY 141 ARG 142 PRO 143 ILE 144 LEU 145 GLY 146 GLU 147 HIS 148 THR 149 LYS 150 LEU 151 GLU 152 VAL 153 ILE 154 ILE 155 GLU 156 GLU 157 SER 158 TYR 159 GLU 160 PHE 161 LYS 162 SER 163 THR 164 VAL 165 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2FWU "Second Ca2+ Binding Domain Of The Na,Ca-Exchanger (Ncx1)" 95.15 157 100.00 100.00 3.31e-105 PDB 2KLS "Apo-Form Of The Second Ca2+ Binding Domain Of Ncx1.4" 98.18 164 100.00 100.00 6.20e-110 GB AAA19128 "Na-Ca exchanger isoform NACA4, partial [Rattus norvegicus]" 63.64 105 98.10 100.00 7.69e-65 GB ELK14758 "Sodium/calcium exchanger 1, partial [Pteropus alecto]" 53.94 335 98.88 98.88 7.52e-50 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $exchanger_1 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $exchanger_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $exchanger_1 . mM 0.5 1.0 '[U-13C; U-15N]' HEPES 20 mM . . . 'beta-Mercaptoethanol buffer' 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details 'Bartels, C.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Task 'structure solution' stop_ _Details 'Guentert, P.' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 'NIH version 2.9.7' loop_ _Task refinement stop_ _Details 'Clore, G.M.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C_separated_aliphatic_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aliphatic NOESY' _Sample_label $sample_1 save_ save_3D_13C_separated_aromatic_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aromatic NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aliphatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aromatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 306 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . 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_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sodium/calcium exchanger 1' _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 1 501 9 HIS HA H 3.898 0.000 . 2 501 9 HIS HB2 H 3.035 0.000 . 3 501 9 HIS HB3 H 3.319 0.000 . 4 501 9 HIS HD2 H 7.013 0.000 . 5 501 9 HIS HE1 H 7.614 0.000 . 6 501 9 HIS CA C 61.754 0.000 . 7 501 9 HIS CB C 29.409 0.000 . 8 501 9 HIS CD2 C 118.010 0.000 . 9 501 9 HIS CE1 C 138.983 0.000 . 10 502 10 ALA H H 8.053 0.000 . 11 502 10 ALA HA H 5.101 0.000 . 12 502 10 ALA HB H 1.348 0.000 . 13 502 10 ALA CA C 53.025 0.000 . 14 502 10 ALA CB C 20.269 0.000 . 15 502 10 ALA N N 122.892 0.000 . 16 503 11 GLY H H 9.891 0.000 . 17 503 11 GLY HA2 H 3.633 0.000 . 18 503 11 GLY HA3 H 3.993 0.000 . 19 503 11 GLY CA C 44.662 0.000 . 20 504 12 ILE H H 8.178 0.000 . 21 504 12 ILE HA H 4.695 0.000 . 22 504 12 ILE HB H 1.561 0.000 . 23 504 12 ILE HG12 H 0.667 0.000 . 24 504 12 ILE HG13 H 0.667 0.000 . 25 504 12 ILE HG2 H 0.506 0.000 . 26 504 12 ILE HD1 H 0.667 0.000 . 27 504 12 ILE CA C 60.639 0.000 . 28 504 12 ILE CB C 37.785 0.000 . 29 504 12 ILE CG1 C 26.364 0.000 . 30 504 12 ILE CG2 C 16.961 0.000 . 31 504 12 ILE CD1 C 13.412 0.000 . 32 504 12 ILE N N 121.060 0.000 . 33 505 13 PHE H H 8.867 0.000 . 34 505 13 PHE HA H 5.379 0.000 . 35 505 13 PHE HB2 H 2.345 0.000 . 36 505 13 PHE HB3 H 2.639 0.000 . 37 505 13 PHE HD1 H 6.764 0.000 . 38 505 13 PHE HD2 H 6.764 0.000 . 39 505 13 PHE CA C 57.847 0.000 . 40 505 13 PHE CB C 40.972 0.000 . 41 505 13 PHE CD1 C 131.798 0.000 . 42 505 13 PHE N N 127.442 0.000 . 43 506 14 THR H H 8.830 0.000 . 44 506 14 THR HA H 4.773 0.000 . 45 506 14 THR HB H 3.861 0.000 . 46 506 14 THR HG2 H 1.121 0.000 . 47 506 14 THR CA C 59.888 0.000 . 48 506 14 THR CB C 70.882 0.000 . 49 506 14 THR CG2 C 19.025 0.000 . 50 506 14 THR N N 117.108 0.000 . 51 507 15 PHE H H 9.028 0.000 . 52 507 15 PHE HA H 5.242 0.000 . 53 507 15 PHE HB2 H 2.735 0.000 . 54 507 15 PHE HB3 H 3.649 0.000 . 55 507 15 PHE HD1 H 7.284 0.000 . 56 507 15 PHE HD2 H 7.284 0.000 . 57 507 15 PHE HE1 H 7.053 0.000 . 58 507 15 PHE HE2 H 7.053 0.000 . 59 507 15 PHE HZ H 6.735 0.000 . 60 507 15 PHE CA C 59.628 0.000 . 61 507 15 PHE CB C 39.807 0.000 . 62 507 15 PHE CD1 C 131.992 0.000 . 63 507 15 PHE CE1 C 131.216 0.000 . 64 507 15 PHE CZ C 129.274 0.000 . 65 507 15 PHE N N 123.663 0.000 . 66 508 16 GLU H H 10.141 0.000 . 67 508 16 GLU HA H 4.115 0.000 . 68 508 16 GLU HB2 H 2.212 0.000 . 69 508 16 GLU HB3 H 2.212 0.000 . 70 508 16 GLU HG2 H 2.413 0.000 . 71 508 16 GLU HG3 H 2.413 0.000 . 72 508 16 GLU CA C 59.695 0.000 . 73 508 16 GLU CB C 31.703 0.000 . 74 508 16 GLU CG C 37.718 0.000 . 75 508 16 GLU N N 121.805 0.000 . 76 509 17 GLU H H 7.533 0.000 . 77 509 17 GLU HA H 4.426 0.000 . 78 509 17 GLU HB2 H 1.854 0.000 . 79 509 17 GLU HB3 H 2.198 0.000 . 80 509 17 GLU HG2 H 2.139 0.000 . 81 509 17 GLU HG3 H 2.139 0.000 . 82 509 17 GLU CA C 52.518 0.000 . 83 509 17 GLU CB C 31.693 0.000 . 84 509 17 GLU CG C 34.368 0.000 . 85 509 17 GLU N N 112.482 0.000 . 86 510 18 PRO HA H 4.550 0.000 . 87 510 18 PRO HB2 H 2.181 0.000 . 88 510 18 PRO HB3 H 2.181 0.000 . 89 510 18 PRO HG2 H 2.031 0.000 . 90 510 18 PRO HG3 H 2.031 0.000 . 91 510 18 PRO HD2 H 3.781 0.000 . 92 510 18 PRO HD3 H 3.781 0.000 . 93 510 18 PRO CA C 63.180 0.000 . 94 510 18 PRO CB C 31.942 0.000 . 95 510 18 PRO CG C 26.361 0.000 . 96 510 18 PRO CD C 49.264 0.000 . 97 511 19 VAL H H 6.845 0.000 . 98 511 19 VAL HA H 5.242 0.000 . 99 511 19 VAL HB H 1.883 0.000 . 100 511 19 VAL HG1 H 0.762 0.000 . 101 511 19 VAL HG2 H 0.872 0.000 . 102 511 19 VAL CA C 59.713 0.000 . 103 511 19 VAL CB C 35.761 0.000 . 104 511 19 VAL CG1 C 20.519 0.000 . 105 511 19 VAL CG2 C 21.531 0.000 . 106 511 19 VAL N N 119.614 0.000 . 107 512 20 THR H H 8.771 0.000 . 108 512 20 THR HA H 4.645 0.000 . 109 512 20 THR HB H 3.758 0.000 . 110 512 20 THR HG2 H 0.857 0.000 . 111 512 20 THR CA C 60.783 0.000 . 112 512 20 THR CB C 70.300 0.000 . 113 512 20 THR CG2 C 20.384 0.000 . 114 512 20 THR N N 121.157 0.000 . 115 513 21 HIS H H 8.090 0.000 . 116 513 21 HIS HA H 5.587 0.000 . 117 513 21 HIS HB2 H 2.937 0.000 . 118 513 21 HIS HB3 H 3.033 0.000 . 119 513 21 HIS HE1 H 8.376 0.000 . 120 513 21 HIS CA C 54.133 0.000 . 121 513 21 HIS CB C 30.937 0.000 . 122 513 21 HIS CE1 C 136.265 0.000 . 123 513 21 HIS N N 122.988 0.000 . 124 514 22 VAL H H 9.123 0.000 . 125 514 22 VAL HA H 4.674 0.000 . 126 514 22 VAL HB H 2.037 0.000 . 127 514 22 VAL HG1 H 0.843 0.000 . 128 514 22 VAL HG2 H 0.784 0.000 . 129 514 22 VAL CA C 58.697 0.000 . 130 514 22 VAL CB C 36.272 0.000 . 131 514 22 VAL CG1 C 21.787 0.000 . 132 514 22 VAL CG2 C 19.508 0.000 . 133 514 22 VAL N N 117.590 0.000 . 134 515 23 SER H H 8.376 0.000 . 135 515 23 SER HA H 4.608 0.000 . 136 515 23 SER HB2 H 3.605 0.000 . 137 515 23 SER HB3 H 4.037 0.000 . 138 515 23 SER CA C 57.851 0.000 . 139 515 23 SER CB C 63.783 0.000 . 140 515 23 SER N N 116.530 0.000 . 141 516 24 GLU H H 8.581 0.000 . 142 516 24 GLU HA H 3.766 0.000 . 143 516 24 GLU HB2 H 2.096 0.000 . 144 516 24 GLU HB3 H 2.096 0.000 . 145 516 24 GLU HG2 H 2.410 0.000 . 146 516 24 GLU HG3 H 2.843 0.000 . 147 516 24 GLU CA C 58.351 0.000 . 148 516 24 GLU CB C 30.290 0.000 . 149 516 24 GLU CG C 35.340 0.000 . 150 516 24 GLU N N 127.904 0.000 . 151 517 25 SER H H 8.024 0.000 . 152 517 25 SER HA H 4.390 0.000 . 153 517 25 SER HB2 H 3.839 0.000 . 154 517 25 SER HB3 H 4.008 0.000 . 155 517 25 SER CA C 57.287 0.000 . 156 517 25 SER CB C 63.939 0.000 . 157 517 25 SER N N 109.205 0.000 . 158 518 26 ILE H H 7.709 0.000 . 159 518 26 ILE HA H 3.993 0.000 . 160 518 26 ILE HB H 2.184 0.000 . 161 518 26 ILE HG12 H 1.341 0.000 . 162 518 26 ILE HG13 H 1.341 0.000 . 163 518 26 ILE HG2 H 0.806 0.000 . 164 518 26 ILE HD1 H 1.048 0.000 . 165 518 26 ILE CA C 62.725 0.000 . 166 518 26 ILE CB C 39.231 0.000 . 167 518 26 ILE CG1 C 29.151 0.000 . 168 518 26 ILE CG2 C 17.480 0.000 . 169 518 26 ILE CD1 C 14.752 0.000 . 170 518 26 ILE N N 121.579 0.000 . 171 519 27 GLY H H 8.786 0.000 . 172 519 27 GLY HA2 H 3.457 0.000 . 173 519 27 GLY HA3 H 4.366 0.000 . 174 519 27 GLY CA C 46.216 0.000 . 175 519 27 GLY N N 112.964 0.000 . 176 520 28 ILE H H 7.855 0.000 . 177 520 28 ILE HA H 4.587 0.000 . 178 520 28 ILE HB H 1.788 0.000 . 179 520 28 ILE HG12 H 1.583 0.000 . 180 520 28 ILE HG13 H 1.583 0.000 . 181 520 28 ILE HG2 H 0.792 0.000 . 182 520 28 ILE HD1 H 0.857 0.000 . 183 520 28 ILE CA C 60.006 0.000 . 184 520 28 ILE CB C 40.076 0.000 . 185 520 28 ILE CG1 C 27.765 0.000 . 186 520 28 ILE CG2 C 17.864 0.000 . 187 520 28 ILE CD1 C 12.652 0.000 . 188 520 28 ILE N N 125.187 0.000 . 189 521 29 MET H H 9.160 0.000 . 190 521 29 MET HA H 4.653 0.000 . 191 521 29 MET HB2 H 2.013 0.000 . 192 521 29 MET HB3 H 2.013 0.000 . 193 521 29 MET HG2 H 2.346 0.000 . 194 521 29 MET HG3 H 2.346 0.000 . 195 521 29 MET HE H 1.685 0.000 . 196 521 29 MET CA C 54.037 0.000 . 197 521 29 MET CB C 35.409 0.000 . 198 521 29 MET CG C 31.689 0.000 . 199 521 29 MET CE C 17.277 0.000 . 200 521 29 MET N N 127.442 0.000 . 201 522 30 GLU H H 8.398 0.000 . 202 522 30 GLU HA H 5.238 0.000 . 203 522 30 GLU HB2 H 1.781 0.000 . 204 522 30 GLU HB3 H 1.868 0.000 . 205 522 30 GLU HG2 H 2.000 0.000 . 206 522 30 GLU HG3 H 2.132 0.000 . 207 522 30 GLU CA C 54.956 0.000 . 208 522 30 GLU CB C 32.703 0.000 . 209 522 30 GLU CG C 36.883 0.000 . 210 522 30 GLU N N 123.471 0.000 . 211 523 31 VAL H H 9.043 0.000 . 212 523 31 VAL HA H 4.411 0.000 . 213 523 31 VAL HB H 1.876 0.000 . 214 523 31 VAL HG1 H 0.828 0.000 . 215 523 31 VAL HG2 H 0.718 0.000 . 216 523 31 VAL CA C 60.388 0.000 . 217 523 31 VAL CB C 35.145 0.000 . 218 523 31 VAL CG1 C 22.296 0.000 . 219 523 31 VAL CG2 C 20.777 0.000 . 220 523 31 VAL N N 122.820 0.000 . 221 524 32 LYS H H 8.683 0.000 . 222 524 32 LYS HA H 4.660 0.000 . 223 524 32 LYS HB2 H 1.598 0.000 . 224 524 32 LYS HB3 H 1.634 0.000 . 225 524 32 LYS HG2 H 1.232 0.000 . 226 524 32 LYS HG3 H 1.561 0.000 . 227 524 32 LYS HD2 H 1.648 0.000 . 228 524 32 LYS HD3 H 1.648 0.000 . 229 524 32 LYS HE2 H 2.953 0.000 . 230 524 32 LYS HE3 H 2.953 0.000 . 231 524 32 LYS CA C 56.832 0.000 . 232 524 32 LYS CB C 34.742 0.000 . 233 524 32 LYS CG C 25.604 0.000 . 234 524 32 LYS CD C 29.406 0.000 . 235 524 32 LYS CE C 42.103 0.000 . 236 524 32 LYS N N 124.060 0.000 . 237 525 33 VAL H H 8.925 0.000 . 238 525 33 VAL HA H 4.104 0.000 . 239 525 33 VAL HB H 1.942 0.000 . 240 525 33 VAL HG1 H 0.839 0.000 . 241 525 33 VAL HG2 H 0.689 0.000 . 242 525 33 VAL CA C 62.931 0.000 . 243 525 33 VAL CB C 33.203 0.000 . 244 525 33 VAL CG1 C 21.161 0.000 . 245 525 33 VAL CG2 C 22.132 0.000 . 246 525 33 VAL N N 121.831 0.000 . 247 526 34 LEU H H 8.881 0.000 . 248 526 34 LEU HA H 4.820 0.000 . 249 526 34 LEU HB2 H 1.451 0.000 . 250 526 34 LEU HB3 H 1.789 0.000 . 251 526 34 LEU HG H 1.715 0.000 . 252 526 34 LEU HD1 H 0.937 0.000 . 253 526 34 LEU HD2 H 0.923 0.000 . 254 526 34 LEU CA C 54.289 0.000 . 255 526 34 LEU CB C 43.634 0.000 . 256 526 34 LEU CG C 27.376 0.000 . 257 526 34 LEU CD1 C 25.491 0.000 . 258 526 34 LEU CD2 C 23.298 0.000 . 259 526 34 LEU N N 125.301 0.000 . 260 527 35 ARG H H 8.061 0.000 . 261 527 35 ARG HA H 3.772 0.003 . 262 527 35 ARG HB2 H 0.769 0.000 . 263 527 35 ARG HB3 H 1.861 0.000 . 264 527 35 ARG HG2 H 1.531 0.000 . 265 527 35 ARG HG3 H 1.531 0.000 . 266 527 35 ARG HD2 H 2.696 0.000 . 267 527 35 ARG HD3 H 3.546 0.000 . 268 527 35 ARG CA C 53.786 0.000 . 269 527 35 ARG CB C 33.592 0.000 . 270 527 35 ARG CG C 24.585 0.000 . 271 527 35 ARG CD C 45.909 0.000 . 272 527 35 ARG N N 123.084 0.000 . 273 528 36 THR H H 8.786 0.000 . 274 528 36 THR HA H 4.725 0.000 . 275 528 36 THR HB H 4.250 0.000 . 276 528 36 THR HG2 H 1.070 0.000 . 277 528 36 THR CA C 60.136 0.000 . 278 528 36 THR CB C 71.465 0.000 . 279 528 36 THR CG2 C 21.356 0.000 . 280 528 36 THR N N 117.972 0.000 . 281 529 37 SER H H 8.720 0.000 . 282 529 37 SER HA H 3.795 0.000 . 283 529 37 SER HB2 H 3.847 0.000 . 284 529 37 SER HB3 H 3.994 0.000 . 285 529 37 SER CA C 62.142 0.000 . 286 529 37 SER CB C 62.919 0.000 . 287 529 37 SER N N 112.385 0.000 . 288 530 38 GLY H H 7.834 0.000 . 289 530 38 GLY HA2 H 3.810 0.000 . 290 530 38 GLY HA3 H 4.149 0.000 . 291 530 38 GLY CA C 45.659 0.000 . 292 530 38 GLY N N 108.952 0.000 . 293 531 39 ALA H H 8.053 0.000 . 294 531 39 ALA HA H 4.579 0.000 . 295 531 39 ALA HB H 1.144 0.000 . 296 531 39 ALA CA C 49.969 0.000 . 297 531 39 ALA CB C 20.384 0.000 . 298 531 39 ALA N N 121.692 0.000 . 299 532 40 ARG H H 8.097 0.000 . 300 532 40 ARG HA H 4.425 0.000 . 301 532 40 ARG HB2 H 1.539 0.000 . 302 532 40 ARG HB3 H 1.539 0.000 . 303 532 40 ARG HG2 H 1.531 0.000 . 304 532 40 ARG HG3 H 1.589 0.000 . 305 532 40 ARG HD2 H 3.092 0.000 . 306 532 40 ARG HD3 H 3.136 0.000 . 307 532 40 ARG CA C 56.320 0.000 . 308 532 40 ARG CB C 30.484 0.000 . 309 532 40 ARG CG C 26.988 0.000 . 310 532 40 ARG CD C 43.120 0.000 . 311 532 40 ARG N N 119.904 0.000 . 312 533 41 GLY H H 8.852 0.000 . 313 533 41 GLY HA2 H 3.785 0.000 . 314 533 41 GLY HA3 H 4.235 0.000 . 315 533 41 GLY CA C 43.691 0.000 . 316 533 41 GLY N N 112.898 0.000 . 317 534 42 ASN H H 8.449 0.000 . 318 534 42 ASN HA H 5.729 0.000 . 319 534 42 ASN HB2 H 2.755 0.000 . 320 534 42 ASN HB3 H 2.814 0.000 . 321 534 42 ASN HD21 H 7.233 0.000 . 322 534 42 ASN HD22 H 7.628 0.000 . 323 534 42 ASN CA C 51.849 0.000 . 324 534 42 ASN CB C 39.418 0.000 . 325 534 42 ASN N N 119.324 0.000 . 326 534 42 ASN ND2 N 113.060 0.000 . 327 535 43 VAL H H 9.123 0.000 . 328 535 43 VAL HA H 4.880 0.000 . 329 535 43 VAL HB H 1.641 0.000 . 330 535 43 VAL HG1 H 0.484 0.000 . 331 535 43 VAL HG2 H 0.923 0.000 . 332 535 43 VAL CA C 60.636 0.000 . 333 535 43 VAL CB C 37.117 0.000 . 334 535 43 VAL CG1 C 23.316 0.000 . 335 535 43 VAL CG2 C 22.812 0.000 . 336 535 43 VAL N N 124.241 0.000 . 337 536 44 ILE H H 8.977 0.000 . 338 536 44 ILE HA H 5.159 0.000 . 339 536 44 ILE HB H 1.619 0.000 . 340 536 44 ILE HG12 H 1.129 0.000 . 341 536 44 ILE HG13 H 1.129 0.000 . 342 536 44 ILE HG2 H 0.755 0.000 . 343 536 44 ILE HD1 H 0.784 0.000 . 344 536 44 ILE CA C 58.866 0.000 . 345 536 44 ILE CB C 39.822 0.000 . 346 536 44 ILE CG1 C 27.890 0.000 . 347 536 44 ILE CG2 C 18.248 0.000 . 348 536 44 ILE CD1 C 12.421 0.000 . 349 536 44 ILE N N 126.653 0.000 . 350 537 45 VAL H H 9.101 0.000 . 351 537 45 VAL HA H 4.382 0.000 . 352 537 45 VAL HB H 2.022 0.000 . 353 537 45 VAL HG1 H 0.850 0.000 . 354 537 45 VAL HG2 H 0.052 0.000 . 355 537 45 VAL CA C 58.954 0.000 . 356 537 45 VAL CB C 35.145 0.000 . 357 537 45 VAL CG1 C 21.167 0.000 . 358 537 45 VAL CG2 C 21.744 0.000 . 359 537 45 VAL N N 126.653 0.000 . 360 538 46 PRO HA H 5.195 0.000 . 361 538 46 PRO HB2 H 1.956 0.000 . 362 538 46 PRO HB3 H 2.418 0.000 . 363 538 46 PRO HG2 H 1.993 0.000 . 364 538 46 PRO HG3 H 1.993 0.000 . 365 538 46 PRO HD2 H 3.412 0.000 . 366 538 46 PRO HD3 H 3.652 0.000 . 367 538 46 PRO CA C 62.142 0.000 . 368 538 46 PRO CB C 33.009 0.000 . 369 538 46 PRO CG C 27.618 0.000 . 370 538 46 PRO CD C 51.654 0.000 . 371 539 47 TYR H H 8.464 0.000 . 372 539 47 TYR HA H 5.972 0.000 . 373 539 47 TYR HB2 H 2.916 0.000 . 374 539 47 TYR HB3 H 2.916 0.000 . 375 539 47 TYR HD1 H 6.823 0.000 . 376 539 47 TYR HD2 H 6.823 0.000 . 377 539 47 TYR HE1 H 6.544 0.000 . 378 539 47 TYR HE2 H 6.544 0.000 . 379 539 47 TYR CA C 56.325 0.000 . 380 539 47 TYR CB C 43.374 0.000 . 381 539 47 TYR CD1 C 133.352 0.000 . 382 539 47 TYR CE1 C 117.815 0.000 . 383 539 47 TYR N N 115.266 0.000 . 384 540 48 LYS H H 8.757 0.000 . 385 540 48 LYS HA H 5.379 0.000 . 386 540 48 LYS HB2 H 2.198 0.000 . 387 540 48 LYS HB3 H 2.198 0.000 . 388 540 48 LYS HG2 H 1.607 0.000 . 389 540 48 LYS HG3 H 1.607 0.000 . 390 540 48 LYS HD2 H 1.678 0.000 . 391 540 48 LYS HD3 H 1.738 0.000 . 392 540 48 LYS HE2 H 2.960 0.000 . 393 540 48 LYS HE3 H 2.960 0.000 . 394 540 48 LYS CA C 55.927 0.000 . 395 540 48 LYS CB C 35.496 0.000 . 396 540 48 LYS CG C 23.061 0.000 . 397 540 48 LYS CD C 29.666 0.000 . 398 540 48 LYS CE C 42.362 0.000 . 399 540 48 LYS N N 115.181 0.000 . 400 541 49 THR H H 8.112 0.000 . 401 541 49 THR HA H 5.562 0.000 . 402 541 49 THR HB H 4.579 0.000 . 403 541 49 THR HG2 H 1.575 0.000 . 404 541 49 THR CA C 60.391 0.000 . 405 541 49 THR CB C 72.048 0.000 . 406 541 49 THR CG2 C 23.686 0.000 . 407 541 49 THR N N 109.966 0.000 . 408 542 50 ILE H H 9.240 0.000 . 409 542 50 ILE HA H 4.499 0.000 . 410 542 50 ILE HB H 1.817 0.000 . 411 542 50 ILE HG12 H 1.582 0.000 . 412 542 50 ILE HG13 H 1.582 0.000 . 413 542 50 ILE HG2 H 1.223 0.000 . 414 542 50 ILE HD1 H 0.887 0.000 . 415 542 50 ILE CA C 60.977 0.000 . 416 542 50 ILE CB C 43.115 0.000 . 417 542 50 ILE CG1 C 27.765 0.000 . 418 542 50 ILE CG2 C 17.860 0.000 . 419 542 50 ILE CD1 C 15.140 0.000 . 420 542 50 ILE N N 121.128 0.000 . 421 543 51 GLU H H 9.042 0.000 . 422 543 51 GLU HA H 4.535 0.000 . 423 543 51 GLU HB2 H 2.506 0.000 . 424 543 51 GLU HB3 H 2.579 0.000 . 425 543 51 GLU HG2 H 2.679 0.000 . 426 543 51 GLU HG3 H 2.777 0.000 . 427 543 51 GLU CA C 58.861 0.000 . 428 543 51 GLU CB C 30.679 0.000 . 429 543 51 GLU CG C 37.023 0.000 . 430 543 51 GLU N N 125.300 0.000 . 431 544 52 GLY H H 7.585 0.000 . 432 544 52 GLY HA2 H 3.920 0.000 . 433 544 52 GLY HA3 H 4.778 0.000 . 434 544 52 GLY CA C 46.430 0.000 . 435 544 52 GLY N N 111.036 0.000 . 436 545 53 THR H H 8.456 0.000 . 437 545 53 THR HA H 4.439 0.000 . 438 545 53 THR HB H 4.535 0.000 . 439 545 53 THR HG2 H 1.414 0.000 . 440 545 53 THR CA C 63.168 0.000 . 441 545 53 THR CB C 69.523 0.000 . 442 545 53 THR CG2 C 23.316 0.000 . 443 545 53 THR N N 119.422 0.000 . 444 546 54 ALA H H 9.365 0.000 . 445 546 54 ALA HA H 4.724 0.000 . 446 546 54 ALA HB H 1.407 0.000 . 447 546 54 ALA CA C 51.072 0.000 . 448 546 54 ALA CB C 19.247 0.000 . 449 546 54 ALA N N 123.947 0.000 . 450 547 55 ARG H H 10.032 0.000 . 451 547 55 ARG HA H 4.531 0.000 . 452 547 55 ARG HB2 H 1.641 0.000 . 453 547 55 ARG HB3 H 1.641 0.000 . 454 547 55 ARG HG2 H 1.707 0.000 . 455 547 55 ARG HG3 H 1.810 0.000 . 456 547 55 ARG HD2 H 3.231 0.000 . 457 547 55 ARG HD3 H 3.231 0.000 . 458 547 55 ARG CA C 54.548 0.000 . 459 547 55 ARG CB C 31.844 0.000 . 460 547 55 ARG CG C 26.988 0.000 . 461 547 55 ARG CD C 42.872 0.000 . 462 547 55 ARG N N 122.892 0.000 . 463 548 56 GLY H H 9.321 0.000 . 464 548 56 GLY HA2 H 2.953 0.000 . 465 548 56 GLY CA C 42.862 0.000 . 466 548 56 GLY N N 112.964 0.000 . 467 549 57 GLY H H 9.218 0.000 . 468 549 57 GLY HA2 H 3.823 0.000 . 469 549 57 GLY HA3 H 3.898 0.000 . 470 549 57 GLY CA C 46.924 0.000 . 471 549 57 GLY N N 111.518 0.000 . 472 550 58 GLY H H 7.877 0.000 . 473 550 58 GLY HA2 H 2.931 0.000 . 474 550 58 GLY HA3 H 4.198 0.000 . 475 550 58 GLY CA C 44.899 0.000 . 476 550 58 GLY N N 104.193 0.000 . 477 551 59 GLU H H 7.214 0.000 . 478 551 59 GLU HA H 4.245 0.000 . 479 551 59 GLU HB2 H 1.891 0.000 . 480 551 59 GLU HB3 H 1.978 0.000 . 481 551 59 GLU HG2 H 2.198 0.000 . 482 551 59 GLU HG3 H 2.198 0.000 . 483 551 59 GLU CA C 58.452 0.000 . 484 551 59 GLU CB C 28.637 0.000 . 485 551 59 GLU CG C 35.511 0.000 . 486 551 59 GLU N N 121.128 0.000 . 487 552 60 ASP H H 8.544 0.000 . 488 552 60 ASP HA H 5.166 0.000 . 489 552 60 ASP HB2 H 2.865 0.000 . 490 552 60 ASP HB3 H 3.224 0.000 . 491 552 60 ASP CA C 55.311 0.000 . 492 552 60 ASP CB C 42.332 0.000 . 493 552 60 ASP N N 113.913 0.000 . 494 553 61 PHE H H 7.775 0.000 . 495 553 61 PHE HA H 4.938 0.000 . 496 553 61 PHE HB2 H 2.557 0.000 . 497 553 61 PHE HB3 H 2.645 0.000 . 498 553 61 PHE HD1 H 6.361 0.000 . 499 553 61 PHE HD2 H 6.361 0.000 . 500 553 61 PHE HE1 H 7.013 0.000 . 501 553 61 PHE HE2 H 7.013 0.000 . 502 553 61 PHE HZ H 6.918 0.000 . 503 553 61 PHE CA C 56.578 0.000 . 504 553 61 PHE CB C 39.418 0.000 . 505 553 61 PHE CD1 C 131.798 0.000 . 506 553 61 PHE CE1 C 130.050 0.000 . 507 553 61 PHE CZ C 128.303 0.000 . 508 553 61 PHE N N 117.408 0.000 . 509 554 62 GLU H H 8.141 0.000 . 510 554 62 GLU HA H 4.245 0.000 . 511 554 62 GLU HB2 H 1.905 0.000 . 512 554 62 GLU HB3 H 2.161 0.000 . 513 554 62 GLU HG2 H 2.095 0.000 . 514 554 62 GLU HG3 H 2.198 0.000 . 515 554 62 GLU CA C 55.150 0.000 . 516 554 62 GLU CB C 31.187 0.000 . 517 554 62 GLU CG C 36.511 0.000 . 518 554 62 GLU N N 119.807 0.000 . 519 555 63 ASP H H 8.361 0.000 . 520 555 63 ASP HA H 4.557 0.000 . 521 555 63 ASP HB2 H 2.510 0.000 . 522 555 63 ASP HB3 H 2.718 0.000 . 523 555 63 ASP CA C 55.150 0.000 . 524 555 63 ASP CB C 40.972 0.000 . 525 555 63 ASP N N 125.205 0.000 . 526 556 64 THR H H 8.654 0.000 . 527 556 64 THR HA H 4.873 0.000 . 528 556 64 THR HB H 4.308 0.000 . 529 556 64 THR HG2 H 1.516 0.000 . 530 556 64 THR CA C 62.160 0.000 . 531 556 64 THR CB C 70.688 0.000 . 532 556 64 THR CG2 C 20.262 0.000 . 533 556 64 THR N N 118.197 0.000 . 534 557 65 CYS H H 8.171 0.000 . 535 557 65 CYS HA H 4.953 0.000 . 536 557 65 CYS HB2 H 3.129 0.000 . 537 557 65 CYS HB3 H 3.158 0.000 . 538 557 65 CYS CA C 55.927 0.000 . 539 557 65 CYS CB C 29.916 0.000 . 540 557 65 CYS N N 121.446 0.000 . 541 558 66 GLY H H 7.233 0.000 . 542 558 66 GLY HA2 H 3.920 0.000 . 543 558 66 GLY HA3 H 3.971 0.000 . 544 558 66 GLY CA C 45.413 0.000 . 545 558 66 GLY N N 108.723 0.000 . 546 559 67 GLU H H 8.566 0.000 . 547 559 67 GLU HA H 4.851 0.000 . 548 559 67 GLU HB2 H 1.883 0.000 . 549 559 67 GLU HB3 H 1.883 0.000 . 550 559 67 GLU HG2 H 1.924 0.000 . 551 559 67 GLU HG3 H 2.216 0.000 . 552 559 67 GLU CA C 55.387 0.000 . 553 559 67 GLU CB C 33.030 0.000 . 554 559 67 GLU CG C 36.772 0.000 . 555 559 67 GLU N N 119.775 0.000 . 556 560 68 LEU H H 9.196 0.000 . 557 560 68 LEU HA H 4.654 0.000 . 558 560 68 LEU HB2 H 1.253 0.000 . 559 560 68 LEU HB3 H 2.052 0.000 . 560 560 68 LEU HG H 1.840 0.000 . 561 560 68 LEU HD1 H 0.740 0.000 . 562 560 68 LEU HD2 H 0.703 0.000 . 563 560 68 LEU CA C 53.528 0.000 . 564 560 68 LEU CB C 44.904 0.000 . 565 560 68 LEU CG C 26.211 0.000 . 566 560 68 LEU CD1 C 25.087 0.000 . 567 560 68 LEU CD2 C 23.314 0.000 . 568 560 68 LEU N N 125.108 0.000 . 569 561 69 GLU H H 8.720 0.000 . 570 561 69 GLU HA H 4.999 0.000 . 571 561 69 GLU HB2 H 1.840 0.000 . 572 561 69 GLU HB3 H 2.029 0.000 . 573 561 69 GLU HG2 H 1.905 0.000 . 574 561 69 GLU HG3 H 2.038 0.000 . 575 561 69 GLU CA C 55.150 0.000 . 576 561 69 GLU CB C 30.932 0.000 . 577 561 69 GLU CG C 36.311 0.000 . 578 561 69 GLU N N 124.060 0.000 . 579 562 70 PHE H H 9.687 0.000 . 580 562 70 PHE HA H 4.660 0.000 . 581 562 70 PHE HB2 H 3.085 0.000 . 582 562 70 PHE HB3 H 3.128 0.000 . 583 562 70 PHE HD1 H 7.255 0.000 . 584 562 70 PHE HD2 H 7.255 0.000 . 585 562 70 PHE HE1 H 7.027 0.000 . 586 562 70 PHE HE2 H 7.027 0.000 . 587 562 70 PHE CA C 57.093 0.000 . 588 562 70 PHE CB C 40.001 0.000 . 589 562 70 PHE CD1 C 132.575 0.000 . 590 562 70 PHE N N 126.940 0.000 . 591 563 71 GLN H H 9.533 0.000 . 592 563 71 GLN HA H 4.667 0.000 . 593 563 71 GLN HB2 H 1.868 0.000 . 594 563 71 GLN HB3 H 2.367 0.000 . 595 563 71 GLN HG2 H 2.421 0.000 . 596 563 71 GLN HG3 H 2.557 0.000 . 597 563 71 GLN HE21 H 6.793 0.000 . 598 563 71 GLN HE22 H 7.566 0.000 . 599 563 71 GLN CA C 54.632 0.000 . 600 563 71 GLN CB C 29.901 0.000 . 601 563 71 GLN CG C 34.368 0.000 . 602 563 71 GLN N N 121.736 0.000 . 603 563 71 GLN NE2 N 112.385 0.000 . 604 564 72 ASN H H 8.214 0.000 . 605 564 72 ASN HA H 4.630 0.000 . 606 564 72 ASN HB2 H 2.630 0.000 . 607 564 72 ASN HB3 H 2.755 0.000 . 608 564 72 ASN CA C 56.319 0.000 . 609 564 72 ASN CB C 40.195 0.000 . 610 564 72 ASN N N 121.060 0.000 . 611 565 73 ASP H H 9.533 0.000 . 612 565 73 ASP HA H 4.374 0.000 . 613 565 73 ASP HB2 H 2.960 0.000 . 614 565 73 ASP HB3 H 3.077 0.000 . 615 565 73 ASP CA C 57.846 0.000 . 616 565 73 ASP CB C 40.072 0.000 . 617 565 73 ASP N N 118.940 0.000 . 618 566 74 GLU H H 8.192 0.000 . 619 566 74 GLU HA H 4.652 0.000 . 620 566 74 GLU HB2 H 2.242 0.000 . 621 566 74 GLU HB3 H 2.346 0.000 . 622 566 74 GLU HG2 H 2.235 0.000 . 623 566 74 GLU HG3 H 2.404 0.000 . 624 566 74 GLU CA C 57.087 0.000 . 625 566 74 GLU CB C 31.703 0.000 . 626 566 74 GLU CG C 37.276 0.000 . 627 566 74 GLU N N 121.354 0.000 . 628 567 75 ILE H H 8.727 0.000 . 629 567 75 ILE HA H 4.960 0.000 . 630 567 75 ILE HB H 2.580 0.000 . 631 567 75 ILE HG12 H 1.275 0.000 . 632 567 75 ILE HG13 H 1.414 0.000 . 633 567 75 ILE HG2 H 0.865 0.000 . 634 567 75 ILE HD1 H 0.945 0.000 . 635 567 75 ILE CA C 62.164 0.000 . 636 567 75 ILE CB C 39.612 0.000 . 637 567 75 ILE CG1 C 25.823 0.000 . 638 567 75 ILE CG2 C 18.636 0.000 . 639 567 75 ILE CD1 C 13.921 0.000 . 640 567 75 ILE N N 115.604 0.000 . 641 568 76 VAL H H 7.548 0.000 . 642 568 76 VAL HA H 5.466 0.000 . 643 568 76 VAL HB H 2.206 0.000 . 644 568 76 VAL HG1 H 0.923 0.000 . 645 568 76 VAL HG2 H 1.033 0.000 . 646 568 76 VAL CA C 61.154 0.000 . 647 568 76 VAL CB C 34.742 0.000 . 648 568 76 VAL CG1 C 19.608 0.000 . 649 568 76 VAL CG2 C 22.045 0.000 . 650 568 76 VAL N N 119.437 0.000 . 651 569 77 LYS H H 8.339 0.000 . 652 569 77 LYS HA H 4.617 0.000 . 653 569 77 LYS HB2 H 1.033 0.000 . 654 569 77 LYS HB3 H 1.575 0.000 . 655 569 77 LYS HG2 H 0.322 0.000 . 656 569 77 LYS HG3 H 0.454 0.000 . 657 569 77 LYS HD2 H 1.304 0.000 . 658 569 77 LYS HD3 H 1.429 0.000 . 659 569 77 LYS HE2 H 2.916 0.000 . 660 569 77 LYS HE3 H 2.916 0.000 . 661 569 77 LYS CA C 53.791 0.000 . 662 569 77 LYS CB C 37.534 0.000 . 663 569 77 LYS CG C 23.561 0.000 . 664 569 77 LYS CD C 27.182 0.000 . 665 569 77 LYS CE C 42.110 0.000 . 666 569 77 LYS N N 125.012 0.000 . 667 570 78 THR H H 7.929 0.000 . 668 570 78 THR HA H 5.349 0.000 . 669 570 78 THR HB H 3.876 0.000 . 670 570 78 THR HG2 H 0.982 0.000 . 671 570 78 THR CA C 60.006 0.000 . 672 570 78 THR CB C 71.659 0.000 . 673 570 78 THR CG2 C 21.938 0.000 . 674 570 78 THR N N 110.458 0.000 . 675 571 79 ILE H H 8.940 0.000 . 676 571 79 ILE HA H 3.876 0.000 . 677 571 79 ILE HB H 1.224 0.000 . 678 571 79 ILE HG2 H 0.447 0.000 . 679 571 79 ILE HD1 H 0.396 0.000 . 680 571 79 ILE CA C 60.650 0.000 . 681 571 79 ILE CB C 41.348 0.000 . 682 571 79 ILE CG1 C 27.765 0.000 . 683 571 79 ILE CG2 C 17.985 0.000 . 684 571 79 ILE CD1 C 15.335 0.000 . 685 571 79 ILE N N 122.988 0.000 . 686 572 80 SER H H 8.126 0.000 . 687 572 80 SER HA H 5.642 0.000 . 688 572 80 SER HB2 H 3.663 0.000 . 689 572 80 SER HB3 H 3.663 0.000 . 690 572 80 SER CA C 57.088 0.000 . 691 572 80 SER CB C 64.861 0.000 . 692 572 80 SER N N 122.025 0.000 . 693 573 81 VAL H H 8.779 0.000 . 694 573 81 VAL HA H 4.609 0.000 . 695 573 81 VAL HB H 1.913 0.000 . 696 573 81 VAL HG1 H 1.040 0.000 . 697 573 81 VAL HG2 H 0.865 0.000 . 698 573 81 VAL CA C 60.731 0.000 . 699 573 81 VAL CB C 36.116 0.000 . 700 573 81 VAL CG1 C 20.967 0.000 . 701 573 81 VAL CG2 C 21.537 0.000 . 702 573 81 VAL N N 123.181 0.000 . 703 574 82 LYS H H 9.284 0.000 . 704 574 82 LYS HA H 4.652 0.000 . 705 574 82 LYS HB2 H 1.656 0.000 . 706 574 82 LYS HB3 H 1.759 0.000 . 707 574 82 LYS HG2 H 1.211 0.000 . 708 574 82 LYS HG3 H 1.393 0.000 . 709 574 82 LYS HD2 H 1.641 0.000 . 710 574 82 LYS HD3 H 1.641 0.000 . 711 574 82 LYS HE2 H 2.953 0.000 . 712 574 82 LYS HE3 H 2.953 0.000 . 713 574 82 LYS CA C 57.084 0.000 . 714 574 82 LYS CB C 33.209 0.000 . 715 574 82 LYS CG C 25.341 0.000 . 716 574 82 LYS CD C 29.319 0.000 . 717 574 82 LYS N N 129.134 0.000 . 718 575 83 VAL H H 8.288 0.000 . 719 575 83 VAL HA H 4.111 0.000 . 720 575 83 VAL HB H 1.795 0.000 . 721 575 83 VAL HG1 H 1.077 0.000 . 722 575 83 VAL HG2 H 0.872 0.000 . 723 575 83 VAL CA C 62.417 0.000 . 724 575 83 VAL CB C 34.327 0.000 . 725 575 83 VAL CG1 C 21.550 0.000 . 726 575 83 VAL CG2 C 21.550 0.000 . 727 575 83 VAL N N 128.457 0.000 . 728 576 84 ILE H H 8.002 0.000 . 729 576 84 ILE HA H 4.293 0.000 . 730 576 84 ILE HB H 1.678 0.000 . 731 576 84 ILE HG12 H 0.939 0.000 . 732 576 84 ILE HG13 H 1.062 0.000 . 733 576 84 ILE HG2 H 0.960 0.000 . 734 576 84 ILE HD1 H 0.531 0.000 . 735 576 84 ILE CA C 59.881 0.000 . 736 576 84 ILE CB C 37.670 0.000 . 737 576 84 ILE CG1 C 26.794 0.000 . 738 576 84 ILE CG2 C 17.472 0.000 . 739 576 84 ILE CD1 C 11.062 0.000 . 740 576 84 ILE N N 130.487 0.000 . 741 577 85 ASP H H 8.867 0.000 . 742 577 85 ASP HA H 4.873 0.000 . 743 577 85 ASP HB2 H 2.777 0.000 . 744 577 85 ASP HB3 H 2.777 0.000 . 745 577 85 ASP CA C 53.402 0.000 . 746 577 85 ASP CB C 42.103 0.000 . 747 577 85 ASP N N 131.084 0.000 . 748 578 86 ASP H H 8.266 0.000 . 749 578 86 ASP HA H 4.792 0.000 . 750 578 86 ASP HB2 H 2.942 0.000 . 751 578 86 ASP HB3 H 3.176 0.000 . 752 578 86 ASP CA C 53.402 0.000 . 753 578 86 ASP CB C 42.611 0.000 . 754 578 86 ASP N N 120.867 0.000 . 755 579 87 GLU H H 8.530 0.000 . 756 579 87 GLU HA H 4.646 0.000 . 757 579 87 GLU HB2 H 1.810 0.000 . 758 579 87 GLU HB3 H 2.366 0.000 . 759 579 87 GLU HG2 H 2.213 0.000 . 760 579 87 GLU HG3 H 2.213 0.000 . 761 579 87 GLU CA C 55.305 0.000 . 762 579 87 GLU CB C 29.411 0.000 . 763 579 87 GLU CG C 36.264 0.000 . 764 579 87 GLU N N 119.325 0.000 . 765 580 88 GLU H H 7.921 0.000 . 766 580 88 GLU HA H 4.462 0.000 . 767 580 88 GLU HB2 H 1.780 0.000 . 768 580 88 GLU HB3 H 1.868 0.000 . 769 580 88 GLU HG2 H 2.103 0.000 . 770 580 88 GLU HG3 H 2.161 0.000 . 771 580 88 GLU CA C 54.799 0.000 . 772 580 88 GLU CB C 32.451 0.000 . 773 580 88 GLU CG C 35.757 0.000 . 774 580 88 GLU N N 119.036 0.000 . 775 581 89 TYR H H 8.977 0.000 . 776 581 89 TYR HA H 4.489 0.000 . 777 581 89 TYR HB2 H 2.513 0.000 . 778 581 89 TYR HB3 H 2.918 0.000 . 779 581 89 TYR HD1 H 7.049 0.000 . 780 581 89 TYR HD2 H 7.049 0.000 . 781 581 89 TYR HE1 H 6.830 0.000 . 782 581 89 TYR HE2 H 6.830 0.000 . 783 581 89 TYR CA C 58.064 0.000 . 784 581 89 TYR CB C 38.447 0.000 . 785 581 89 TYR CD1 C 133.158 0.000 . 786 581 89 TYR CE1 C 118.398 0.000 . 787 581 89 TYR N N 127.422 0.000 . 788 582 90 GLU H H 8.127 0.000 . 789 582 90 GLU HA H 4.469 0.000 . 790 582 90 GLU HB2 H 1.986 0.000 . 791 582 90 GLU HB3 H 2.242 0.000 . 792 582 90 GLU HG2 H 2.212 0.000 . 793 582 90 GLU CA C 54.613 0.000 . 794 582 90 GLU CB C 35.145 0.000 . 795 582 90 GLU CG C 37.476 0.000 . 796 582 90 GLU N N 129.246 0.000 . 797 583 91 LYS H H 7.841 0.000 . 798 583 91 LYS HA H 4.249 0.000 . 799 583 91 LYS HB2 H 1.795 0.000 . 800 583 91 LYS HB3 H 1.912 0.000 . 801 583 91 LYS HG2 H 1.509 0.000 . 802 583 91 LYS HG3 H 1.509 0.000 . 803 583 91 LYS HD2 H 1.751 0.000 . 804 583 91 LYS HD3 H 1.751 0.000 . 805 583 91 LYS HE2 H 3.066 0.000 . 806 583 91 LYS HE3 H 3.066 0.000 . 807 583 91 LYS CA C 56.510 0.000 . 808 583 91 LYS CB C 33.009 0.000 . 809 583 91 LYS CG C 24.657 0.000 . 810 583 91 LYS CD C 29.124 0.000 . 811 583 91 LYS CE C 42.137 0.000 . 812 583 91 LYS N N 117.590 0.000 . 813 584 92 ASN H H 8.412 0.000 . 814 584 92 ASN HA H 4.660 0.000 . 815 584 92 ASN HB2 H 2.711 0.000 . 816 584 92 ASN HB3 H 2.711 0.000 . 817 584 92 ASN HD21 H 7.269 0.000 . 818 584 92 ASN HD22 H 7.401 0.000 . 819 584 92 ASN CA C 54.296 0.000 . 820 584 92 ASN CB C 37.864 0.000 . 821 584 92 ASN N N 119.888 0.000 . 822 584 92 ASN ND2 N 111.422 0.000 . 823 585 93 LYS H H 8.171 0.000 . 824 585 93 LYS HA H 4.654 0.000 . 825 585 93 LYS HB2 H 1.729 0.000 . 826 585 93 LYS HB3 H 1.729 0.000 . 827 585 93 LYS HG2 H 1.246 0.000 . 828 585 93 LYS HG3 H 1.626 0.000 . 829 585 93 LYS HD2 H 1.714 0.000 . 830 585 93 LYS HD3 H 1.714 0.000 . 831 585 93 LYS HE2 H 3.050 0.000 . 832 585 93 LYS HE3 H 3.050 0.000 . 833 585 93 LYS CA C 55.566 0.000 . 834 585 93 LYS CB C 36.527 0.000 . 835 585 93 LYS CG C 25.434 0.000 . 836 585 93 LYS CD C 29.513 0.000 . 837 585 93 LYS CE C 42.493 0.000 . 838 585 93 LYS N N 122.313 0.000 . 839 586 94 THR H H 8.134 0.000 . 840 586 94 THR HA H 5.788 0.000 . 841 586 94 THR HB H 3.788 0.000 . 842 586 94 THR HG2 H 0.879 0.000 . 843 586 94 THR CA C 59.879 0.000 . 844 586 94 THR CB C 72.824 0.000 . 845 586 94 THR CG2 C 22.555 0.000 . 846 586 94 THR N N 111.616 0.000 . 847 587 95 PHE H H 8.625 0.000 . 848 587 95 PHE HA H 4.615 0.000 . 849 587 95 PHE HB2 H 2.901 0.000 . 850 587 95 PHE HB3 H 3.194 0.000 . 851 587 95 PHE HD1 H 6.507 0.000 . 852 587 95 PHE HD2 H 6.464 0.000 . 853 587 95 PHE HE1 H 6.537 0.000 . 854 587 95 PHE HZ H 6.771 0.000 . 855 587 95 PHE CA C 56.326 0.000 . 856 587 95 PHE CB C 41.088 0.000 . 857 587 95 PHE CD1 C 131.992 0.000 . 858 587 95 PHE CD2 C 128.691 0.000 . 859 587 95 PHE CE1 C 129.079 0.000 . 860 587 95 PHE CZ C 128.303 0.000 . 861 587 95 PHE N N 121.157 0.000 . 862 588 96 PHE H H 9.145 0.000 . 863 588 96 PHE HA H 5.781 0.000 . 864 588 96 PHE HB2 H 2.813 0.000 . 865 588 96 PHE HB3 H 2.813 0.000 . 866 588 96 PHE HD1 H 6.977 0.000 . 867 588 96 PHE HD2 H 6.977 0.000 . 868 588 96 PHE HE1 H 7.313 0.000 . 869 588 96 PHE HE2 H 7.313 0.000 . 870 588 96 PHE CA C 55.308 0.000 . 871 588 96 PHE CB C 43.368 0.000 . 872 588 96 PHE CD1 C 131.992 0.000 . 873 588 96 PHE CE1 C 131.021 0.000 . 874 588 96 PHE N N 114.724 0.000 . 875 589 97 LEU H H 8.815 0.000 . 876 589 97 LEU HA H 5.276 0.000 . 877 589 97 LEU HB2 H 1.220 0.000 . 878 589 97 LEU HB3 H 1.540 0.000 . 879 589 97 LEU HG H 1.627 0.000 . 880 589 97 LEU HD1 H 0.784 0.000 . 881 589 97 LEU HD2 H 0.835 0.000 . 882 589 97 LEU CA C 54.032 0.000 . 883 589 97 LEU CB C 47.187 0.000 . 884 589 97 LEU CG C 28.542 0.000 . 885 589 97 LEU CD1 C 25.240 0.000 . 886 589 97 LEU CD2 C 26.368 0.000 . 887 589 97 LEU N N 121.639 0.000 . 888 590 98 GLU H H 9.196 0.000 . 889 590 98 GLU HA H 5.760 0.000 . 890 590 98 GLU HB2 H 1.913 0.000 . 891 590 98 GLU HB3 H 2.074 0.000 . 892 590 98 GLU HG2 H 2.183 0.000 . 893 590 98 GLU HG3 H 2.440 0.000 . 894 590 98 GLU CA C 55.050 0.000 . 895 590 98 GLU CB C 35.340 0.000 . 896 590 98 GLU CG C 37.147 0.000 . 897 590 98 GLU N N 123.383 0.000 . 898 591 99 ILE H H 8.398 0.000 . 899 591 99 ILE HA H 5.349 0.000 . 900 591 99 ILE HB H 1.736 0.000 . 901 591 99 ILE HG12 H 0.923 0.000 . 902 591 99 ILE HG13 H 1.626 0.000 . 903 591 99 ILE HG2 H 0.740 0.000 . 904 591 99 ILE HD1 H 0.352 0.000 . 905 591 99 ILE CA C 59.631 0.000 . 906 591 99 ILE CB C 40.329 0.000 . 907 591 99 ILE CG1 C 24.463 0.000 . 908 591 99 ILE CG2 C 18.241 0.000 . 909 591 99 ILE CD1 C 13.158 0.000 . 910 591 99 ILE N N 118.535 0.000 . 911 592 100 GLY H H 8.258 0.000 . 912 592 100 GLY HA2 H 3.474 0.000 . 913 592 100 GLY HA3 H 4.471 0.000 . 914 592 100 GLY CA C 42.720 0.000 . 915 592 100 GLY N N 108.726 0.000 . 916 593 101 GLU H H 7.804 0.000 . 917 593 101 GLU HA H 4.155 0.000 . 918 593 101 GLU HB2 H 1.934 0.000 . 919 593 101 GLU HB3 H 1.934 0.000 . 920 593 101 GLU HG2 H 2.359 0.000 . 921 593 101 GLU HG3 H 2.359 0.000 . 922 593 101 GLU CA C 54.956 0.000 . 923 593 101 GLU CB C 30.290 0.000 . 924 593 101 GLU CG C 36.009 0.000 . 925 593 101 GLU N N 115.604 0.000 . 926 594 102 PRO HA H 4.887 0.000 . 927 594 102 PRO HB2 H 1.224 0.000 . 928 594 102 PRO HB3 H 1.414 0.000 . 929 594 102 PRO HG2 H 1.399 0.000 . 930 594 102 PRO HG3 H 1.582 0.000 . 931 594 102 PRO HD2 H 3.626 0.000 . 932 594 102 PRO HD3 H 3.963 0.000 . 933 594 102 PRO CA C 61.407 0.000 . 934 594 102 PRO CB C 33.470 0.000 . 935 594 102 PRO CG C 26.617 0.000 . 936 594 102 PRO CD C 50.733 0.000 . 937 595 103 ARG H H 8.786 0.000 . 938 595 103 ARG HA H 4.771 0.000 . 939 595 103 ARG HB2 H 1.722 0.000 . 940 595 103 ARG HB3 H 1.722 0.000 . 941 595 103 ARG HG2 H 1.488 0.000 . 942 595 103 ARG HG3 H 1.554 0.000 . 943 595 103 ARG HD2 H 3.143 0.000 . 944 595 103 ARG HD3 H 3.143 0.000 . 945 595 103 ARG CA C 54.298 0.000 . 946 595 103 ARG CB C 33.214 0.000 . 947 595 103 ARG CG C 26.988 0.000 . 948 595 103 ARG CD C 43.634 0.000 . 949 595 103 ARG N N 117.408 0.000 . 950 596 104 LEU H H 8.779 0.000 . 951 596 104 LEU HA H 4.655 0.000 . 952 596 104 LEU HB2 H 1.374 0.000 . 953 596 104 LEU HB3 H 1.788 0.000 . 954 596 104 LEU HG H 1.546 0.000 . 955 596 104 LEU HD1 H 1.026 0.000 . 956 596 104 LEU HD2 H 0.974 0.000 . 957 596 104 LEU CA C 55.054 0.000 . 958 596 104 LEU CB C 43.627 0.000 . 959 596 104 LEU CG C 27.376 0.000 . 960 596 104 LEU CD1 C 24.852 0.000 . 961 596 104 LEU CD2 C 25.350 0.000 . 962 596 104 LEU N N 125.413 0.000 . 963 597 105 VAL H H 8.581 0.000 . 964 597 105 VAL HA H 4.052 0.000 . 965 597 105 VAL HB H 1.978 0.000 . 966 597 105 VAL HG1 H 0.689 0.000 . 967 597 105 VAL HG2 H 0.872 0.000 . 968 597 105 VAL CA C 62.930 0.000 . 969 597 105 VAL CB C 32.712 0.000 . 970 597 105 VAL CG2 C 21.550 0.000 . 971 597 105 VAL N N 125.864 0.000 . 972 598 106 GLU H H 8.515 0.000 . 973 598 106 GLU HA H 4.406 0.000 . 974 598 106 GLU HB2 H 1.978 0.000 . 975 598 106 GLU HB3 H 2.088 0.000 . 976 598 106 GLU HG2 H 2.264 0.000 . 977 598 106 GLU HG3 H 2.293 0.000 . 978 598 106 GLU CA C 56.581 0.000 . 979 598 106 GLU CB C 30.872 0.000 . 980 598 106 GLU CG C 36.527 0.000 . 981 598 106 GLU N N 125.494 0.000 . 982 599 107 MET H H 8.537 0.000 . 983 599 107 MET HA H 4.550 0.000 . 984 599 107 MET HB2 H 2.059 0.000 . 985 599 107 MET HB3 H 2.169 0.000 . 986 599 107 MET HG2 H 2.594 0.000 . 987 599 107 MET HG3 H 2.659 0.000 . 988 599 107 MET HE H 2.117 0.000 . 989 599 107 MET CA C 55.810 0.000 . 990 599 107 MET CB C 33.009 0.000 . 991 599 107 MET CG C 32.202 0.000 . 992 599 107 MET CE C 17.083 0.000 . 993 599 107 MET N N 122.256 0.000 . 994 600 108 SER H H 8.354 0.000 . 995 600 108 SER HA H 4.447 0.000 . 996 600 108 SER HB2 H 3.883 0.000 . 997 600 108 SER HB3 H 3.883 0.000 . 998 600 108 SER CA C 58.608 0.000 . 999 600 108 SER CB C 63.947 0.000 . 1000 600 108 SER N N 116.723 0.000 . 1001 601 109 GLU H H 8.500 0.000 . 1002 601 109 GLU HA H 4.314 0.000 . 1003 601 109 GLU HB2 H 1.986 0.000 . 1004 601 109 GLU HB3 H 1.986 0.000 . 1005 601 109 GLU CB C 30.421 0.000 . 1006 601 109 GLU N N 122.795 0.000 . 1007 602 110 LYS H H 8.251 0.000 . 1008 602 110 LYS HA H 4.304 0.000 . 1009 602 110 LYS HB2 H 1.768 0.000 . 1010 602 110 LYS HB3 H 1.768 0.000 . 1011 602 110 LYS N N 122.024 0.000 . 1012 603 111 LYS H H 8.310 0.000 . 1013 603 111 LYS HA H 4.351 0.000 . 1014 603 111 LYS HB2 H 1.815 0.000 . 1015 603 111 LYS HB3 H 1.815 0.000 . 1016 603 111 LYS N N 122.602 0.000 . 1017 604 112 GLY H H 8.405 0.000 . 1018 604 112 GLY HA2 H 3.976 0.000 . 1019 604 112 GLY HA3 H 4.398 0.000 . 1020 604 112 GLY N N 109.976 0.000 . 1021 605 113 GLY H H 8.214 0.000 . 1022 605 113 GLY HA2 H 3.928 0.000 . 1023 605 113 GLY HA3 H 4.398 0.000 . 1024 605 113 GLY N N 108.434 0.000 . 1025 606 114 PHE HA H 4.748 0.000 . 1026 606 114 PHE HB2 H 3.081 0.000 . 1027 606 114 PHE HB3 H 3.081 0.000 . 1028 606 114 PHE CA C 55.562 0.000 . 1029 606 114 PHE CB C 42.614 0.000 . 1030 607 115 THR H H 8.163 0.000 . 1031 607 115 THR HA H 4.367 0.000 . 1032 607 115 THR HB H 4.140 0.001 . 1033 607 115 THR HG2 H 1.176 0.000 . 1034 607 115 THR CA C 61.948 0.000 . 1035 607 115 THR CB C 69.911 0.000 . 1036 607 115 THR N N 116.723 0.000 . 1037 608 116 ILE H H 8.244 0.000 . 1038 608 116 ILE HA H 4.257 0.000 . 1039 608 116 ILE HB H 1.913 0.000 . 1040 608 116 ILE HG12 H 1.216 0.000 . 1041 608 116 ILE HG13 H 1.504 0.000 . 1042 608 116 ILE HG2 H 0.945 0.000 . 1043 608 116 ILE HD1 H 0.894 0.000 . 1044 608 116 ILE CA C 61.406 0.000 . 1045 608 116 ILE CB C 38.798 0.000 . 1046 608 116 ILE CG1 C 27.374 0.000 . 1047 608 116 ILE CG2 C 17.720 0.000 . 1048 608 116 ILE CD1 C 13.004 0.000 . 1049 608 116 ILE N N 123.470 0.000 . 1050 609 117 THR H H 8.149 0.000 . 1051 609 117 THR HA H 4.383 0.000 . 1052 609 117 THR HB H 4.249 0.000 . 1053 609 117 THR HG2 H 1.209 0.000 . 1054 609 117 THR CA C 61.736 0.000 . 1055 609 117 THR CB C 69.911 0.000 . 1056 609 117 THR CG2 C 21.788 0.000 . 1057 609 117 THR N N 117.972 0.000 . 1058 610 118 GLU H H 8.361 0.000 . 1059 610 118 GLU HA H 4.315 0.000 . 1060 610 118 GLU HB2 H 1.985 0.000 . 1061 610 118 GLU HB3 H 1.985 0.000 . 1062 610 118 GLU HG2 H 2.264 0.000 . 1063 610 118 GLU HG3 H 2.264 0.000 . 1064 610 118 GLU CA C 56.829 0.000 . 1065 610 118 GLU CB C 30.425 0.000 . 1066 610 118 GLU CG C 36.513 0.000 . 1067 610 118 GLU N N 123.084 0.000 . 1068 611 119 GLU H H 8.313 0.000 . 1069 611 119 GLU HA H 4.271 0.000 . 1070 611 119 GLU HB2 H 1.927 0.000 . 1071 611 119 GLU HB3 H 1.927 0.000 . 1072 611 119 GLU HG2 H 2.200 0.000 . 1073 611 119 GLU HG3 H 2.200 0.000 . 1074 611 119 GLU CA C 56.580 0.000 . 1075 611 119 GLU CB C 30.425 0.000 . 1076 611 119 GLU N N 121.354 0.000 . 1077 612 120 TYR H H 8.141 0.000 . 1078 612 120 TYR HA H 4.572 0.000 . 1079 612 120 TYR HB2 H 2.967 0.000 . 1080 612 120 TYR HB3 H 3.077 0.000 . 1081 612 120 TYR HD1 H 7.130 0.000 . 1082 612 120 TYR HD2 H 7.130 0.000 . 1083 612 120 TYR CA C 57.849 0.000 . 1084 612 120 TYR CB C 39.056 0.000 . 1085 612 120 TYR CD1 C 133.158 0.000 . 1086 612 120 TYR N N 121.016 0.000 . 1087 613 121 ASP H H 8.207 0.000 . 1088 613 121 ASP HA H 4.601 0.000 . 1089 613 121 ASP HB2 H 2.637 0.000 . 1090 613 121 ASP HB3 H 2.704 0.000 . 1091 613 121 ASP CA C 54.179 0.000 . 1092 613 121 ASP CB C 41.524 0.000 . 1093 613 121 ASP N N 122.594 0.000 . 1094 614 122 ASP H H 8.222 0.000 . 1095 614 122 ASP HA H 4.537 0.000 . 1096 614 122 ASP HB2 H 2.718 0.000 . 1097 614 122 ASP HB3 H 2.718 0.000 . 1098 614 122 ASP CA C 54.550 0.000 . 1099 614 122 ASP CB C 40.972 0.000 . 1100 614 122 ASP N N 121.241 0.000 . 1101 615 123 LYS H H 8.185 0.000 . 1102 615 123 LYS HA H 4.309 0.000 . 1103 615 123 LYS HB2 H 1.877 0.000 . 1104 615 123 LYS HB3 H 1.877 0.000 . 1105 615 123 LYS HG2 H 1.471 0.000 . 1106 615 123 LYS HG3 H 1.471 0.000 . 1107 615 123 LYS HD2 H 1.704 0.000 . 1108 615 123 LYS HD3 H 1.704 0.000 . 1109 615 123 LYS HE2 H 3.020 0.000 . 1110 615 123 LYS HE3 H 3.020 0.000 . 1111 615 123 LYS CA C 56.325 0.000 . 1112 615 123 LYS CB C 32.694 0.000 . 1113 615 123 LYS CG C 24.834 0.000 . 1114 615 123 LYS CD C 29.155 0.000 . 1115 615 123 LYS CE C 42.355 0.000 . 1116 615 123 LYS N N 119.904 0.000 . 1117 616 124 GLN H H 8.105 0.000 . 1118 616 124 GLN HA H 4.609 0.000 . 1119 616 124 GLN HB2 H 1.978 0.000 . 1120 616 124 GLN HB3 H 2.125 0.000 . 1121 616 124 GLN HG2 H 2.388 0.000 . 1122 616 124 GLN HG3 H 2.388 0.000 . 1123 616 124 GLN CA C 53.786 0.000 . 1124 616 124 GLN CB C 28.898 0.000 . 1125 616 124 GLN CG C 33.592 0.000 . 1126 616 124 GLN N N 121.354 0.000 . 1127 617 125 PRO HA H 4.462 0.000 . 1128 617 125 PRO HB2 H 1.934 0.000 . 1129 617 125 PRO HB3 H 2.293 0.000 . 1130 617 125 PRO HG2 H 2.051 0.000 . 1131 617 125 PRO HG3 H 2.051 0.000 . 1132 617 125 PRO HD2 H 3.671 0.000 . 1133 617 125 PRO HD3 H 3.781 0.000 . 1134 617 125 PRO CA C 63.188 0.000 . 1135 617 125 PRO CB C 32.038 0.000 . 1136 617 125 PRO CG C 27.383 0.000 . 1137 617 125 PRO CD C 50.741 0.000 . 1138 618 126 LEU H H 8.390 0.000 . 1139 618 126 LEU HA H 4.447 0.000 . 1140 618 126 LEU HB2 H 1.648 0.000 . 1141 618 126 LEU HB3 H 1.714 0.000 . 1142 618 126 LEU HG H 1.722 0.000 . 1143 618 126 LEU HD1 H 0.931 0.000 . 1144 618 126 LEU HD2 H 0.890 0.000 . 1145 618 126 LEU CA C 55.345 0.000 . 1146 618 126 LEU CB C 42.609 0.000 . 1147 618 126 LEU CG C 27.119 0.000 . 1148 618 126 LEU CD1 C 25.093 0.000 . 1149 618 126 LEU CD2 C 23.563 0.000 . 1150 618 126 LEU N N 122.313 0.000 . 1151 619 127 THR H H 8.229 0.000 . 1152 619 127 THR HA H 4.447 0.000 . 1153 619 127 THR HB H 4.404 0.000 . 1154 619 127 THR HG2 H 1.283 0.000 . 1155 619 127 THR CA C 61.662 0.000 . 1156 619 127 THR CB C 70.300 0.000 . 1157 619 127 THR CG2 C 21.794 0.000 . 1158 619 127 THR N N 113.542 0.000 . 1159 620 128 SER H H 8.464 0.000 . 1160 620 128 SER HA H 4.477 0.000 . 1161 620 128 SER HB2 H 3.975 0.000 . 1162 620 128 SER HB3 H 4.059 0.000 . 1163 620 128 SER CA C 59.229 0.000 . 1164 620 128 SER CB C 63.696 0.000 . 1165 620 128 SER N N 117.494 0.000 . 1166 621 129 LYS H H 8.376 0.000 . 1167 621 129 LYS HA H 4.236 0.000 . 1168 621 129 LYS HB2 H 1.868 0.000 . 1169 621 129 LYS HB3 H 1.868 0.000 . 1170 621 129 LYS HG2 H 1.509 0.000 . 1171 621 129 LYS HG3 H 1.509 0.000 . 1172 621 129 LYS HD2 H 1.741 0.000 . 1173 621 129 LYS HD3 H 1.741 0.000 . 1174 621 129 LYS CA C 58.351 0.000 . 1175 621 129 LYS CB C 32.714 0.000 . 1176 621 129 LYS CD C 29.157 0.000 . 1177 625 133 GLU H H 8.280 0.000 . 1178 625 133 GLU HA H 4.146 0.000 . 1179 625 133 GLU HB2 H 2.069 0.000 . 1180 625 133 GLU HB3 H 2.069 0.000 . 1181 625 133 GLU HG2 H 2.404 0.000 . 1182 625 133 GLU HG3 H 2.404 0.000 . 1183 625 133 GLU CG C 36.519 0.000 . 1184 625 133 GLU N N 119.929 0.000 . 1185 626 134 ARG H H 8.119 0.000 . 1186 626 134 ARG HA H 4.052 0.000 . 1187 626 134 ARG HB2 H 2.134 0.000 . 1188 626 134 ARG HB3 H 2.134 0.000 . 1189 626 134 ARG HG2 H 1.635 0.000 . 1190 626 134 ARG HG3 H 1.758 0.000 . 1191 626 134 ARG HD2 H 3.194 0.000 . 1192 626 134 ARG HD3 H 3.194 0.000 . 1193 626 134 ARG CA C 59.035 0.000 . 1194 626 134 ARG CB C 29.914 0.000 . 1195 626 134 ARG CG C 27.376 0.000 . 1196 626 134 ARG N N 120.677 0.000 . 1197 627 135 ARG H H 8.017 0.000 . 1198 627 135 ARG HA H 4.154 0.000 . 1199 627 135 ARG HB2 H 1.942 0.000 . 1200 627 135 ARG HB3 H 1.942 0.000 . 1201 627 135 ARG HG2 H 1.634 0.000 . 1202 627 135 ARG HG3 H 1.759 0.000 . 1203 627 135 ARG HD2 H 3.194 0.000 . 1204 627 135 ARG HD3 H 3.194 0.000 . 1205 627 135 ARG CA C 58.612 0.000 . 1206 627 135 ARG CB C 30.290 0.000 . 1207 627 135 ARG CG C 27.377 0.000 . 1208 627 135 ARG CD C 43.626 0.000 . 1209 627 135 ARG N N 120.114 0.000 . 1210 628 136 ILE H H 8.017 0.000 . 1211 628 136 ILE HA H 3.878 0.000 . 1212 628 136 ILE HB H 1.905 0.000 . 1213 628 136 ILE HG12 H 1.194 0.000 . 1214 628 136 ILE HG13 H 1.612 0.000 . 1215 628 136 ILE HG2 H 0.894 0.000 . 1216 628 136 ILE HD1 H 0.835 0.000 . 1217 628 136 ILE CA C 63.433 0.000 . 1218 628 136 ILE CB C 38.059 0.000 . 1219 628 136 ILE CG1 C 28.542 0.000 . 1220 628 136 ILE CG2 C 17.469 0.000 . 1221 628 136 ILE CD1 C 13.004 0.000 . 1222 628 136 ILE N N 119.614 0.000 . 1223 629 137 ALA H H 7.995 0.000 . 1224 629 137 ALA HA H 4.191 0.000 . 1225 629 137 ALA HB H 1.487 0.000 . 1226 629 137 ALA CA C 54.179 0.000 . 1227 629 137 ALA CB C 18.636 0.000 . 1228 629 137 ALA N N 124.049 0.000 . 1229 630 138 GLU H H 8.050 0.000 . 1230 630 138 GLU HA H 4.177 0.000 . 1231 630 138 GLU HB2 H 2.111 0.000 . 1232 630 138 GLU HB3 H 2.111 0.000 . 1233 630 138 GLU HG2 H 2.293 0.000 . 1234 630 138 GLU HG3 H 2.293 0.000 . 1235 630 138 GLU CA C 57.849 0.000 . 1236 630 138 GLU CB C 30.165 0.000 . 1237 630 138 GLU CG C 36.515 0.000 . 1238 630 138 GLU N N 117.783 0.000 . 1239 631 139 MET H H 7.951 0.000 . 1240 631 139 MET HA H 4.301 0.000 . 1241 631 139 MET HB2 H 2.057 0.000 . 1242 631 139 MET HB3 H 2.057 0.000 . 1243 631 139 MET HG2 H 2.542 0.000 . 1244 631 139 MET HG3 H 2.623 0.000 . 1245 631 139 MET HE H 2.029 0.000 . 1246 631 139 MET CA C 56.704 0.000 . 1247 631 139 MET CB C 33.009 0.000 . 1248 631 139 MET CG C 32.038 0.000 . 1249 631 139 MET CE C 17.083 0.000 . 1250 631 139 MET N N 118.483 0.000 . 1251 632 140 GLY H H 8.083 0.000 . 1252 632 140 GLY HA2 H 3.635 0.000 . 1253 632 140 GLY HA3 H 3.890 0.000 . 1254 632 140 GLY CA C 45.662 0.000 . 1255 632 140 GLY N N 107.952 0.000 . 1256 633 141 ARG H H 7.577 0.000 . 1257 633 141 ARG HA H 4.404 0.000 . 1258 633 141 ARG HB2 H 1.869 0.000 . 1259 633 141 ARG HB3 H 1.920 0.000 . 1260 633 141 ARG HG2 H 1.731 0.000 . 1261 633 141 ARG HG3 H 1.731 0.000 . 1262 633 141 ARG HD2 H 3.262 0.000 . 1263 633 141 ARG HD3 H 3.262 0.000 . 1264 633 141 ARG CA C 54.435 0.000 . 1265 633 141 ARG CB C 29.707 0.000 . 1266 633 141 ARG CG C 27.117 0.000 . 1267 633 141 ARG CD C 43.628 0.000 . 1268 633 141 ARG N N 120.677 0.000 . 1269 634 142 PRO HA H 5.319 0.000 . 1270 634 142 PRO HB2 H 1.766 0.000 . 1271 634 142 PRO HB3 H 2.081 0.000 . 1272 634 142 PRO HG2 H 1.795 0.000 . 1273 634 142 PRO HG3 H 2.008 0.000 . 1274 634 142 PRO HD2 H 3.470 0.000 . 1275 634 142 PRO HD3 H 3.922 0.000 . 1276 634 142 PRO CA C 62.421 0.000 . 1277 634 142 PRO CB C 32.714 0.000 . 1278 634 142 PRO CG C 26.870 0.000 . 1279 634 142 PRO CD C 49.324 0.000 . 1280 635 143 ILE H H 8.412 0.000 . 1281 635 143 ILE HA H 4.858 0.000 . 1282 635 143 ILE HB H 2.067 0.000 . 1283 635 143 ILE HG12 H 0.945 0.000 . 1284 635 143 ILE HG13 H 1.272 0.000 . 1285 635 143 ILE HG2 H 0.923 0.000 . 1286 635 143 ILE HD1 H 0.747 0.000 . 1287 635 143 ILE CA C 59.617 0.000 . 1288 635 143 ILE CB C 44.390 0.000 . 1289 635 143 ILE CG1 C 26.794 0.000 . 1290 635 143 ILE CG2 C 18.236 0.000 . 1291 635 143 ILE CD1 C 13.408 0.000 . 1292 635 143 ILE N N 112.964 0.000 . 1293 636 144 LEU H H 8.603 0.000 . 1294 636 144 LEU HA H 4.765 0.000 . 1295 636 144 LEU HB2 H 1.579 0.000 . 1296 636 144 LEU HB3 H 1.910 0.000 . 1297 636 144 LEU HD1 H 0.924 0.000 . 1298 636 144 LEU HD2 H 0.859 0.000 . 1299 636 144 LEU CA C 54.543 0.000 . 1300 636 144 LEU CB C 42.914 0.000 . 1301 636 144 LEU CD1 C 24.852 0.000 . 1302 636 144 LEU CD2 C 21.938 0.000 . 1303 636 144 LEU N N 120.796 0.000 . 1304 637 145 GLY H H 8.969 0.000 . 1305 637 145 GLY HA2 H 3.162 0.000 . 1306 637 145 GLY HA3 H 4.125 0.000 . 1307 637 145 GLY CA C 44.080 0.000 . 1308 637 145 GLY N N 109.398 0.000 . 1309 638 146 GLU H H 8.376 0.000 . 1310 638 146 GLU HA H 3.751 0.000 . 1311 638 146 GLU HB2 H 1.305 0.000 . 1312 638 146 GLU HB3 H 1.634 0.000 . 1313 638 146 GLU HG2 H 1.656 0.000 . 1314 638 146 GLU HG3 H 1.876 0.000 . 1315 638 146 GLU CA C 59.879 0.000 . 1316 638 146 GLU CB C 30.682 0.000 . 1317 638 146 GLU CG C 35.534 0.000 . 1318 638 146 GLU N N 120.452 0.000 . 1319 639 147 HIS H H 8.141 0.000 . 1320 639 147 HIS HA H 5.532 0.000 . 1321 639 147 HIS HB2 H 2.761 0.000 . 1322 639 147 HIS HB3 H 3.224 0.000 . 1323 639 147 HIS HD2 H 6.888 0.000 . 1324 639 147 HIS HE1 H 7.848 0.000 . 1325 639 147 HIS CA C 53.535 0.000 . 1326 639 147 HIS CB C 31.067 0.000 . 1327 639 147 HIS CD2 C 119.563 0.000 . 1328 639 147 HIS CE1 C 138.595 0.000 . 1329 639 147 HIS N N 115.153 0.000 . 1330 640 148 THR H H 8.559 0.000 . 1331 640 148 THR HA H 4.586 0.000 . 1332 640 148 THR HB H 4.724 0.000 . 1333 640 148 THR HG2 H 1.254 0.000 . 1334 640 148 THR CA C 61.365 0.000 . 1335 640 148 THR CG2 C 24.326 0.000 . 1336 640 148 THR N N 113.687 0.000 . 1337 641 149 LYS H H 8.053 0.000 . 1338 641 149 LYS HA H 5.414 0.000 . 1339 641 149 LYS HB2 H 1.803 0.000 . 1340 641 149 LYS HB3 H 1.920 0.000 . 1341 641 149 LYS HG2 H 1.393 0.000 . 1342 641 149 LYS HG3 H 1.393 0.000 . 1343 641 149 LYS HD2 H 1.525 0.000 . 1344 641 149 LYS HD3 H 1.525 0.000 . 1345 641 149 LYS HE2 H 2.506 0.000 . 1346 641 149 LYS HE3 H 2.586 0.000 . 1347 641 149 LYS CA C 55.564 0.000 . 1348 641 149 LYS CB C 35.250 0.000 . 1349 641 149 LYS CG C 25.601 0.000 . 1350 641 149 LYS CD C 29.513 0.000 . 1351 641 149 LYS CE C 41.598 0.000 . 1352 641 149 LYS N N 123.271 0.000 . 1353 642 150 LEU H H 9.196 0.000 . 1354 642 150 LEU HA H 4.345 0.000 . 1355 642 150 LEU HB2 H 0.015 0.000 . 1356 642 150 LEU HB3 H 0.938 0.000 . 1357 642 150 LEU HG H 0.740 0.000 . 1358 642 150 LEU HD1 H 0.381 0.000 . 1359 642 150 LEU HD2 H 0.242 0.000 . 1360 642 150 LEU CA C 53.402 0.000 . 1361 642 150 LEU CB C 44.389 0.000 . 1362 642 150 LEU CG C 26.356 0.000 . 1363 642 150 LEU CD1 C 23.318 0.000 . 1364 642 150 LEU CD2 C 27.380 0.000 . 1365 642 150 LEU N N 130.599 0.000 . 1366 643 151 GLU H H 8.266 0.000 . 1367 643 151 GLU HA H 4.030 0.000 . 1368 643 151 GLU HB2 H 1.927 0.000 . 1369 643 151 GLU HB3 H 2.147 0.000 . 1370 643 151 GLU HG2 H 2.110 0.000 . 1371 643 151 GLU HG3 H 2.110 0.000 . 1372 643 151 GLU CA C 55.345 0.000 . 1373 643 151 GLU CB C 31.067 0.000 . 1374 643 151 GLU N N 129.349 0.000 . 1375 644 152 VAL H H 8.610 0.000 . 1376 644 152 VAL HA H 3.785 0.000 . 1377 644 152 VAL HB H 0.249 0.000 . 1378 644 152 VAL HG1 H 0.183 0.000 . 1379 644 152 VAL HG2 H -0.139 0.000 . 1380 644 152 VAL CA C 60.893 0.000 . 1381 644 152 VAL CB C 31.067 0.000 . 1382 644 152 VAL CG1 C 22.683 0.000 . 1383 644 152 VAL CG2 C 19.759 0.000 . 1384 644 152 VAL N N 128.232 0.000 . 1385 645 153 ILE H H 8.229 0.000 . 1386 645 153 ILE HA H 4.103 0.000 . 1387 645 153 ILE HB H 1.063 0.000 . 1388 645 153 ILE HG12 H 0.747 0.000 . 1389 645 153 ILE HG13 H 1.114 0.000 . 1390 645 153 ILE HG2 H 0.608 0.000 . 1391 645 153 ILE HD1 H 0.403 0.000 . 1392 645 153 ILE CA C 60.388 0.000 . 1393 645 153 ILE CB C 38.447 0.000 . 1394 645 153 ILE CG1 C 27.765 0.000 . 1395 645 153 ILE CG2 C 17.731 0.000 . 1396 645 153 ILE CD1 C 13.919 0.000 . 1397 645 153 ILE N N 126.315 0.000 . 1398 646 154 ILE H H 9.057 0.000 . 1399 646 154 ILE HA H 4.432 0.000 . 1400 646 154 ILE HB H 1.788 0.000 . 1401 646 154 ILE HG12 H 0.602 0.000 . 1402 646 154 ILE HG13 H 1.627 0.000 . 1403 646 154 ILE HG2 H 0.850 0.000 . 1404 646 154 ILE HD1 H 0.938 0.000 . 1405 646 154 ILE CA C 60.783 0.000 . 1406 646 154 ILE CB C 37.790 0.000 . 1407 646 154 ILE CG1 C 26.614 0.000 . 1408 646 154 ILE CG2 C 18.636 0.000 . 1409 646 154 ILE CD1 C 13.924 0.000 . 1410 646 154 ILE N N 127.555 0.000 . 1411 647 155 GLU H H 9.467 0.000 . 1412 647 155 GLU HA H 4.242 0.000 . 1413 647 155 GLU HG2 H 2.140 0.000 . 1414 647 155 GLU HG3 H 2.375 0.000 . 1415 647 155 GLU CA C 55.539 0.000 . 1416 647 155 GLU CG C 36.699 0.000 . 1417 647 155 GLU N N 128.570 0.000 . 1418 648 156 GLU H H 8.215 0.000 . 1419 648 156 GLU HA H 4.484 0.000 . 1420 648 156 GLU HB2 H 2.066 0.000 . 1421 648 156 GLU HB3 H 2.293 0.000 . 1422 648 156 GLU CA C 56.316 0.000 . 1423 648 156 GLU CB C 30.872 0.000 . 1424 648 156 GLU N N 127.422 0.000 . 1425 649 157 SER H H 9.431 0.000 . 1426 649 157 SER HA H 4.763 0.000 . 1427 649 157 SER HB2 H 3.942 0.000 . 1428 649 157 SER HB3 H 4.220 0.000 . 1429 649 157 SER CA C 58.358 0.000 . 1430 649 157 SER CB C 65.444 0.000 . 1431 649 157 SER N N 122.699 0.000 . 1432 650 158 TYR H H 10.336 0.003 . 1433 650 158 TYR HA H 4.285 0.000 . 1434 650 158 TYR HB2 H 2.813 0.000 . 1435 650 158 TYR HB3 H 3.473 0.000 . 1436 650 158 TYR HD1 H 6.903 0.000 . 1437 650 158 TYR HD2 H 6.903 0.000 . 1438 650 158 TYR HE1 H 6.727 0.000 . 1439 650 158 TYR HE2 H 6.727 0.000 . 1440 650 158 TYR CA C 60.589 0.000 . 1441 650 158 TYR CB C 39.055 0.000 . 1442 650 158 TYR CD1 C 133.158 0.000 . 1443 650 158 TYR CE1 C 118.398 0.000 . 1444 650 158 TYR N N 128.193 0.000 . 1445 651 159 GLU H H 7.980 0.000 . 1446 651 159 GLU HA H 4.221 0.000 . 1447 651 159 GLU HB2 H 1.766 0.000 . 1448 651 159 GLU HB3 H 1.846 0.000 . 1449 651 159 GLU HG2 H 2.059 0.000 . 1450 651 159 GLU HG3 H 2.147 0.000 . 1451 651 159 GLU CA C 56.510 0.000 . 1452 651 159 GLU CB C 30.547 0.000 . 1453 651 159 GLU CG C 36.258 0.000 . 1454 651 159 GLU N N 121.579 0.000 . 1455 652 160 PHE H H 7.951 0.000 . 1456 652 160 PHE HA H 4.412 0.000 . 1457 652 160 PHE HB2 H 2.916 0.000 . 1458 652 160 PHE HB3 H 3.070 0.000 . 1459 652 160 PHE HD1 H 7.203 0.000 . 1460 652 160 PHE HD2 H 7.203 0.000 . 1461 652 160 PHE HE1 H 7.313 0.000 . 1462 652 160 PHE HE2 H 7.313 0.000 . 1463 652 160 PHE CA C 57.847 0.000 . 1464 652 160 PHE CB C 39.308 0.000 . 1465 652 160 PHE CD1 C 131.798 0.000 . 1466 652 160 PHE CE1 C 131.604 0.000 . 1467 652 160 PHE N N 121.128 0.000 . 1468 653 161 LYS H H 7.899 0.000 . 1469 653 161 LYS HA H 4.279 0.000 . 1470 653 161 LYS HB2 H 1.663 0.000 . 1471 653 161 LYS HB3 H 1.766 0.000 . 1472 653 161 LYS HG2 H 1.385 0.000 . 1473 653 161 LYS HG3 H 1.385 0.000 . 1474 653 161 LYS HD2 H 1.648 0.000 . 1475 653 161 LYS HD3 H 1.648 0.000 . 1476 653 161 LYS CA C 56.324 0.000 . 1477 653 161 LYS CB C 33.397 0.000 . 1478 653 161 LYS CG C 24.590 0.000 . 1479 653 161 LYS CD C 29.155 0.000 . 1480 653 161 LYS N N 122.892 0.000 . 1481 654 162 SER H H 8.178 0.000 . 1482 654 162 SER HA H 4.456 0.000 . 1483 654 162 SER HB2 H 3.832 0.000 . 1484 654 162 SER HB3 H 3.832 0.000 . 1485 654 162 SER CB C 63.943 0.000 . 1486 654 162 SER N N 116.819 0.000 . 1487 655 163 THR H H 8.097 0.000 . 1488 655 163 THR N N 115.663 0.000 . 1489 656 164 VAL H H 8.072 0.000 . 1490 656 164 VAL HA H 4.228 0.000 . 1491 656 164 VAL HB H 2.154 0.000 . 1492 656 164 VAL HG1 H 0.960 0.000 . 1493 656 164 VAL HG2 H 0.923 0.000 . 1494 656 164 VAL CA C 62.167 0.000 . 1495 656 164 VAL CB C 32.962 0.000 . 1496 656 164 VAL CG1 C 21.282 0.000 . 1497 656 164 VAL CG2 C 20.017 0.000 . 1498 656 164 VAL N N 121.060 0.000 . 1499 657 165 ASP H H 7.933 0.000 . 1500 657 165 ASP HA H 4.425 0.000 . 1501 657 165 ASP HB2 H 2.601 0.000 . 1502 657 165 ASP HB3 H 2.675 0.000 . 1503 657 165 ASP CA C 55.927 0.000 . 1504 657 165 ASP CB C 42.356 0.000 . 1505 657 165 ASP N N 129.021 0.000 . stop_ save_