data_7095 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of BC059385 from Homo sapiens ; _BMRB_accession_number 7095 _BMRB_flat_file_name bmr7095.str _Entry_type original _Submission_date 2006-05-05 _Accession_date 2006-05-09 _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 Volkman B. F. . 2 'de la Cruz' N. B. . 3 Lytle B. L. . 4 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 550 "13C chemical shifts" 406 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-09-17 original author 'original release' 2008-07-15 update BMRB 'update entry citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of a membrane-anchored ubiquitin-fold (MUB) protein from Homo sapiens. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17567738 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de la Cruz' N. B. . 2 Peterson F. C. . 3 Lytle B. L. . 4 Volkman B. F. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 16 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1479 _Page_last 1484 _Year 2007 _Details . loop_ _Keyword BC059385 'Center for Eukaryotic Structural Genomics' CESG 'Protein Structure Initiative' PSI 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin-like protein 3' _Abbreviation_common 'Ubiquitin-like protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ubiquitin-like protein 3' $protein_3 stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_protein_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ubiquitin-like protein 3' _Abbreviation_common 'Ubiquitin-like protein 3' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GHHHHHHLESSNVPADMINL RLILVSGKTKEFLFSPNDSA SDIAKHVYDNWPMDWEEEQV SSPNILRLIYQGRFLHGNVT LGALKLPFGKTTVMHLVARE TLPEPNSQGQRNREKTGESN CCVIL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 SER 11 SER 12 ASN 13 VAL 14 PRO 15 ALA 16 ASP 17 MET 18 ILE 19 ASN 20 LEU 21 ARG 22 LEU 23 ILE 24 LEU 25 VAL 26 SER 27 GLY 28 LYS 29 THR 30 LYS 31 GLU 32 PHE 33 LEU 34 PHE 35 SER 36 PRO 37 ASN 38 ASP 39 SER 40 ALA 41 SER 42 ASP 43 ILE 44 ALA 45 LYS 46 HIS 47 VAL 48 TYR 49 ASP 50 ASN 51 TRP 52 PRO 53 MET 54 ASP 55 TRP 56 GLU 57 GLU 58 GLU 59 GLN 60 VAL 61 SER 62 SER 63 PRO 64 ASN 65 ILE 66 LEU 67 ARG 68 LEU 69 ILE 70 TYR 71 GLN 72 GLY 73 ARG 74 PHE 75 LEU 76 HIS 77 GLY 78 ASN 79 VAL 80 THR 81 LEU 82 GLY 83 ALA 84 LEU 85 LYS 86 LEU 87 PRO 88 PHE 89 GLY 90 LYS 91 THR 92 THR 93 VAL 94 MET 95 HIS 96 LEU 97 VAL 98 ALA 99 ARG 100 GLU 101 THR 102 LEU 103 PRO 104 GLU 105 PRO 106 ASN 107 SER 108 GLN 109 GLY 110 GLN 111 ARG 112 ASN 113 ARG 114 GLU 115 LYS 116 THR 117 GLY 118 GLU 119 SER 120 ASN 121 CYS 122 CYS 123 VAL 124 ILE 125 LEU 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 2GOW "Solution Structure Of Bc059385 From Homo Sapiens" 100.00 125 100.00 100.00 2.48e-87 DBJ BAE22201 "unnamed protein product [Mus musculus]" 92.80 117 97.41 98.28 3.42e-77 DBJ BAE26780 "unnamed protein product [Mus musculus]" 92.80 117 99.14 100.00 5.24e-79 DBJ BAG34788 "unnamed protein product [Homo sapiens]" 92.80 117 100.00 100.00 3.38e-80 DBJ BAG51754 "unnamed protein product [Homo sapiens]" 92.80 117 100.00 100.00 3.38e-80 EMBL CAB45762 "hypothetical protein [Homo sapiens]" 92.80 117 100.00 100.00 3.38e-80 EMBL CAG32280 "hypothetical protein RCJMB04_21m19 [Gallus gallus]" 92.80 117 98.28 100.00 3.65e-79 EMBL CAG38489 "UBL3 [Homo sapiens]" 92.80 117 99.14 100.00 5.97e-80 EMBL CAL38126 "hypothetical protein [synthetic construct]" 92.80 117 100.00 100.00 3.38e-80 EMBL CAL38242 "hypothetical protein [synthetic construct]" 92.80 117 99.14 99.14 1.68e-79 GB AAD02323 "HCG-1 protein [Homo sapiens]" 92.80 117 100.00 100.00 3.38e-80 GB AAD02324 "HCG-1 protein [Mus musculus]" 92.80 117 99.14 100.00 5.24e-79 GB AAD02325 "HCG-1 protein [Mus musculus]" 78.40 113 97.96 100.00 1.24e-63 GB AAH24507 "Ubiquitin-like 3 [Mus musculus]" 92.80 117 99.14 100.00 5.24e-79 GB AAH25595 "Ubiquitin-like 3 [Mus musculus]" 92.80 117 99.14 100.00 5.24e-79 REF NP_001012847 "ubiquitin-like protein 3 [Gallus gallus]" 92.80 117 98.28 100.00 3.65e-79 REF NP_001015030 "ubiquitin-like protein 3 precursor [Rattus norvegicus]" 92.80 117 99.14 100.00 5.24e-79 REF NP_001033233 "ubiquitin-like protein 3 precursor [Bos taurus]" 92.80 117 100.00 100.00 3.38e-80 REF NP_001244722 "ubiquitin-like protein 3 [Macaca mulatta]" 92.80 117 100.00 100.00 3.38e-80 REF NP_009037 "ubiquitin-like protein 3 precursor [Homo sapiens]" 92.80 117 100.00 100.00 3.38e-80 SP O95164 "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=HsMUB; Short=MUB; AltName" 92.80 117 100.00 100.00 3.38e-80 SP Q2TA46 "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Flags: Precursor [Bo" 92.80 117 100.00 100.00 3.38e-80 SP Q5BJT2 "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Flags: Precursor [Ra" 92.80 117 99.14 100.00 5.24e-79 SP Q9Z2M6 "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Short=MmMUB; AltName" 92.80 117 99.14 100.00 5.24e-79 TPG DAA23938 "TPA: ubiquitin-like protein 3 precursor [Bos taurus]" 92.80 117 100.00 100.00 3.38e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein_3 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 $protein_3 '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 _Isotopic_labeling $protein_3 0.5 mM '[U-15N; U-13C]' 'deuterated sodium acetate' 10 mM . NaCl 100 mM . Dithiothreitol 2 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details Bruker save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Task processing stop_ _Details 'Delagio,F. et al.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task 'data analysis' stop_ _Details 'Eccles, C.; Guntert, P.; Billeter, M.; Wuthrich, K.' save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Task 'data analysis' stop_ _Details 'R.W. Glaser' save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Task 'data analysis' stop_ _Details 'C. Bartels' save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structural calculation' stop_ _Details 'Guntert, P.' save_ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Task refinement stop_ _Details 'SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _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' 106 . mM pH 5.0 . n/a pressure 1 . atm temperature 298 . 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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 'Ubiquitin-like protein 3' _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 . 10 SER HA H 4.435 0.000 1 2 . 10 SER HB2 H 3.816 0.000 2 3 . 10 SER C C 174.541 0.000 1 4 . 10 SER CA C 58.599 0.000 1 5 . 10 SER CB C 68.708 0.000 1 6 . 11 SER H H 8.326 0.002 1 7 . 11 SER HA H 4.415 0.000 1 8 . 11 SER HB2 H 3.809 0.000 2 9 . 11 SER HB3 H 3.841 0.000 2 10 . 11 SER C C 174.134 0.000 1 11 . 11 SER CA C 58.479 0.000 1 12 . 11 SER CB C 64.179 0.000 1 13 . 11 SER N N 117.710 0.000 1 14 . 12 ASN H H 8.367 0.001 1 15 . 12 ASN HA H 4.764 0.000 1 16 . 12 ASN HB2 H 2.780 0.000 2 17 . 12 ASN HB3 H 2.926 0.006 2 18 . 12 ASN C C 174.456 0.158 1 19 . 12 ASN CA C 53.549 0.000 1 20 . 12 ASN CB C 39.577 0.026 1 21 . 12 ASN N N 120.924 0.000 1 22 . 13 VAL H H 8.122 0.001 1 23 . 13 VAL HA H 4.179 0.000 1 24 . 13 VAL HB H 1.784 0.000 1 25 . 13 VAL HG1 H 0.797 0.000 2 26 . 13 VAL HG2 H 0.729 0.000 2 27 . 13 VAL CA C 59.994 0.000 1 28 . 13 VAL CB C 33.451 0.000 1 29 . 13 VAL CG1 C 21.174 0.000 1 30 . 13 VAL CG2 C 21.498 0.000 1 31 . 13 VAL N N 123.547 0.000 1 32 . 14 PRO HA H 4.296 0.000 1 33 . 14 PRO HB2 H 1.722 0.000 2 34 . 14 PRO HB3 H 2.363 0.000 2 35 . 14 PRO HG2 H 1.992 0.000 1 36 . 14 PRO HG3 H 1.992 0.000 1 37 . 14 PRO HD2 H 3.371 0.000 2 38 . 14 PRO HD3 H 3.946 0.000 2 39 . 14 PRO C C 176.691 0.000 1 40 . 14 PRO CA C 63.566 0.000 1 41 . 14 PRO CB C 32.480 0.000 1 42 . 14 PRO CG C 27.948 0.000 1 43 . 14 PRO CD C 51.900 0.310 1 44 . 15 ALA H H 8.335 0.000 1 45 . 15 ALA HA H 4.031 0.000 1 46 . 15 ALA HB H 1.364 0.000 1 47 . 15 ALA C C 177.120 0.000 1 48 . 15 ALA CA C 54.158 0.000 1 49 . 15 ALA CB C 19.192 0.000 1 50 . 15 ALA N N 122.068 0.000 1 51 . 16 ASP H H 8.166 0.001 1 52 . 16 ASP HA H 4.368 0.000 1 53 . 16 ASP HB2 H 2.767 0.000 2 54 . 16 ASP HB3 H 2.403 0.000 2 55 . 16 ASP C C 175.011 0.000 1 56 . 16 ASP CA C 52.783 0.000 1 57 . 16 ASP CB C 40.230 0.000 1 58 . 16 ASP N N 113.809 0.000 1 59 . 17 MET H H 7.525 0.000 1 60 . 17 MET HA H 4.972 0.000 1 61 . 17 MET HB2 H 1.964 0.000 2 62 . 17 MET HB3 H 1.676 0.000 2 63 . 17 MET HG2 H 2.474 0.000 2 64 . 17 MET HG3 H 2.408 0.000 2 65 . 17 MET HE H 1.834 0.000 1 66 . 17 MET C C 174.040 0.000 1 67 . 17 MET CA C 53.846 0.000 1 68 . 17 MET CB C 36.688 0.000 1 69 . 17 MET CG C 33.127 0.000 1 70 . 17 MET CE C 17.930 0.000 1 71 . 17 MET N N 116.241 0.000 1 72 . 18 ILE H H 8.842 0.001 1 73 . 18 ILE HA H 4.087 0.000 1 74 . 18 ILE HB H 1.427 0.000 1 75 . 18 ILE HG12 H 0.864 0.001 2 76 . 18 ILE HG13 H 1.187 0.000 2 77 . 18 ILE HG2 H 0.491 0.000 1 78 . 18 ILE HD1 H 0.799 0.000 1 79 . 18 ILE C C 174.040 0.000 1 80 . 18 ILE CA C 60.942 0.000 1 81 . 18 ILE CB C 41.313 0.000 1 82 . 18 ILE CG1 C 28.247 0.026 1 83 . 18 ILE CG2 C 15.022 0.000 1 84 . 18 ILE CD1 C 17.880 0.000 1 85 . 18 ILE N N 120.776 0.000 1 86 . 19 ASN H H 7.712 0.000 1 87 . 19 ASN HA H 5.290 0.000 1 88 . 19 ASN HB2 H 2.198 0.003 2 89 . 19 ASN HB3 H 2.770 0.000 2 90 . 19 ASN HD21 H 7.350 0.001 2 91 . 19 ASN HD22 H 6.626 0.001 2 92 . 19 ASN C C 173.491 0.000 1 93 . 19 ASN CA C 52.562 0.000 1 94 . 19 ASN CB C 40.896 0.000 1 95 . 19 ASN N N 125.575 0.000 1 96 . 19 ASN ND2 N 112.750 0.007 1 97 . 20 LEU H H 9.440 0.001 1 98 . 20 LEU HA H 5.400 0.000 1 99 . 20 LEU HB2 H 1.607 0.000 2 100 . 20 LEU HB3 H 1.809 0.000 2 101 . 20 LEU HG H 1.693 0.000 1 102 . 20 LEU HD1 H 0.774 0.000 2 103 . 20 LEU HD2 H 0.851 0.000 2 104 . 20 LEU C C 175.634 0.110 1 105 . 20 LEU CA C 52.842 0.000 1 106 . 20 LEU CB C 45.158 0.000 1 107 . 20 LEU CG C 27.300 0.000 1 108 . 20 LEU CD1 C 25.358 0.000 1 109 . 20 LEU CD2 C 25.682 0.000 1 110 . 20 LEU N N 127.683 0.000 1 111 . 21 ARG H H 8.993 0.001 1 112 . 21 ARG HA H 4.611 0.000 1 113 . 21 ARG HB2 H 1.729 0.000 1 114 . 21 ARG HB3 H 1.729 0.000 1 115 . 21 ARG HG2 H 1.321 0.000 1 116 . 21 ARG HG3 H 1.321 0.000 1 117 . 21 ARG HD2 H 3.148 0.000 1 118 . 21 ARG HD3 H 3.148 0.000 1 119 . 21 ARG C C 173.676 0.000 1 120 . 21 ARG CA C 55.437 0.000 1 121 . 21 ARG CB C 31.655 0.000 1 122 . 21 ARG CG C 27.622 0.000 1 123 . 21 ARG CD C 43.649 0.000 1 124 . 21 ARG N N 120.581 0.000 1 125 . 22 LEU H H 8.858 0.001 1 126 . 22 LEU HA H 5.246 0.000 1 127 . 22 LEU HB2 H 2.311 0.000 2 128 . 22 LEU HB3 H 1.285 0.000 2 129 . 22 LEU HG H 1.908 0.000 1 130 . 22 LEU HD1 H 0.795 0.000 2 131 . 22 LEU HD2 H 0.913 0.000 2 132 . 22 LEU C C 176.265 0.000 1 133 . 22 LEU CA C 53.715 0.000 1 134 . 22 LEU CB C 44.289 0.000 1 135 . 22 LEU CG C 27.300 0.000 1 136 . 22 LEU CD1 C 25.682 0.000 1 137 . 22 LEU CD2 C 27.300 0.000 1 138 . 22 LEU N N 126.214 0.000 1 139 . 23 ILE H H 7.786 0.001 1 140 . 23 ILE HA H 4.780 0.000 1 141 . 23 ILE HB H 0.869 0.000 1 142 . 23 ILE HG12 H 1.360 0.000 2 143 . 23 ILE HG13 H 0.872 0.000 2 144 . 23 ILE HG2 H 0.827 0.000 1 145 . 23 ILE HD1 H 0.539 0.000 1 146 . 23 ILE C C 177.310 0.000 1 147 . 23 ILE CA C 60.405 0.000 1 148 . 23 ILE CB C 41.055 0.000 1 149 . 23 ILE CG1 C 26.653 0.000 1 150 . 23 ILE CG2 C 16.642 0.000 1 151 . 23 ILE CD1 C 15.024 0.000 1 152 . 23 ILE N N 120.035 0.000 1 153 . 24 LEU H H 8.551 0.001 1 154 . 24 LEU HA H 4.929 0.000 1 155 . 24 LEU HB2 H 1.492 0.000 2 156 . 24 LEU HB3 H 1.141 0.000 2 157 . 24 LEU HG H 0.737 0.001 1 158 . 24 LEU HD1 H 1.536 0.001 2 159 . 24 LEU C C 180.736 0.000 1 160 . 24 LEU CA C 54.714 0.000 1 161 . 24 LEU CB C 44.034 0.075 1 162 . 24 LEU CG C 24.711 0.000 1 163 . 24 LEU CD1 C 25.358 0.000 1 164 . 24 LEU N N 127.444 0.000 1 165 . 25 VAL H H 9.346 0.001 1 166 . 25 VAL HA H 3.902 0.000 1 167 . 25 VAL HB H 2.218 0.000 1 168 . 25 VAL HG1 H 1.124 0.000 2 169 . 25 VAL HG2 H 1.053 0.001 2 170 . 25 VAL C C 176.809 0.000 1 171 . 25 VAL CA C 65.797 0.000 1 172 . 25 VAL CB C 31.881 0.000 1 173 . 25 VAL CG1 C 21.498 0.000 1 174 . 25 VAL CG2 C 21.498 0.000 1 175 . 25 VAL N N 122.570 0.000 1 176 . 26 SER H H 7.489 0.001 1 177 . 26 SER HA H 4.241 0.000 1 178 . 26 SER HB2 H 3.955 0.000 1 179 . 26 SER HB3 H 3.955 0.000 1 180 . 26 SER C C 176.133 0.000 1 181 . 26 SER CA C 58.401 0.000 1 182 . 26 SER CB C 64.479 0.000 1 183 . 26 SER N N 112.092 0.000 1 184 . 27 GLY H H 8.183 0.001 1 185 . 27 GLY HA2 H 4.390 0.000 2 186 . 27 GLY HA3 H 3.431 0.000 2 187 . 27 GLY C C 174.362 0.000 1 188 . 27 GLY CA C 44.915 0.000 1 189 . 27 GLY N N 110.970 0.000 1 190 . 28 LYS H H 6.877 0.001 1 191 . 28 LYS HA H 4.267 0.000 1 192 . 28 LYS HB2 H 1.488 0.000 2 193 . 28 LYS HB3 H 1.530 0.000 2 194 . 28 LYS HG2 H 0.850 0.000 1 195 . 28 LYS HG3 H 0.850 0.000 1 196 . 28 LYS HD2 H 0.788 0.000 1 197 . 28 LYS HD3 H 0.788 0.000 1 198 . 28 LYS C C 175.594 0.000 1 199 . 28 LYS CA C 55.463 0.000 1 200 . 28 LYS CB C 42.514 0.000 1 201 . 28 LYS CG C 25.358 0.000 1 202 . 28 LYS CD C 23.740 0.000 1 203 . 28 LYS N N 121.031 0.000 1 204 . 29 THR H H 8.401 0.001 1 205 . 29 THR HA H 5.891 0.000 1 206 . 29 THR HB H 3.887 0.000 1 207 . 29 THR HG2 H 1.136 0.000 1 208 . 29 THR C C 177.304 0.000 1 209 . 29 THR CA C 60.965 0.000 1 210 . 29 THR CB C 72.919 0.000 1 211 . 29 THR CG2 C 21.498 0.000 1 212 . 29 THR N N 113.229 0.000 1 213 . 30 LYS H H 7.772 0.000 1 214 . 30 LYS HA H 4.260 0.000 1 215 . 30 LYS HB2 H 1.534 0.000 2 216 . 30 LYS HB3 H 1.491 0.000 2 217 . 30 LYS HG2 H 0.911 0.000 2 218 . 30 LYS HG3 H 0.654 0.000 2 219 . 30 LYS HD2 H 1.475 0.000 1 220 . 30 LYS HD3 H 1.475 0.000 1 221 . 30 LYS CA C 55.165 0.000 1 222 . 30 LYS CB C 42.514 0.000 1 223 . 30 LYS CG C 26.977 0.000 1 224 . 30 LYS CD C 27.300 0.000 1 225 . 30 LYS N N 114.384 0.000 1 226 . 31 GLU HA H 5.574 0.000 1 227 . 31 GLU HB2 H 1.644 0.000 2 228 . 31 GLU HB3 H 2.068 0.001 2 229 . 31 GLU HG2 H 2.259 0.000 2 230 . 31 GLU HG3 H 1.872 0.001 2 231 . 31 GLU CA C 54.831 0.000 1 232 . 31 GLU CB C 30.886 0.020 1 233 . 31 GLU CG C 37.012 0.000 1 234 . 32 PHE HA H 4.458 0.000 1 235 . 32 PHE HB2 H 2.630 0.000 2 236 . 32 PHE HB3 H 2.534 0.001 2 237 . 32 PHE C C 173.075 0.000 1 238 . 32 PHE CA C 57.062 0.000 1 239 . 32 PHE CB C 46.448 0.050 1 240 . 33 LEU H H 7.887 0.001 1 241 . 33 LEU HA H 4.931 0.000 1 242 . 33 LEU HB2 H 1.498 0.000 2 243 . 33 LEU HB3 H 1.161 0.000 2 244 . 33 LEU HG H 1.540 0.000 1 245 . 33 LEU HD1 H 0.737 0.000 2 246 . 33 LEU HD2 H 0.786 0.000 2 247 . 33 LEU C C 176.514 0.000 1 248 . 33 LEU CA C 54.351 0.000 1 249 . 33 LEU CB C 44.133 0.000 1 250 . 33 LEU CG C 26.977 0.000 1 251 . 33 LEU CD1 C 25.035 0.000 1 252 . 33 LEU CD2 C 25.682 0.000 1 253 . 33 LEU N N 121.408 0.000 1 254 . 34 PHE H H 9.135 0.001 1 255 . 34 PHE HA H 4.784 0.000 1 256 . 34 PHE HB2 H 2.192 0.000 2 257 . 34 PHE HB3 H 3.653 0.000 2 258 . 34 PHE HD1 H 7.214 0.000 1 259 . 34 PHE HD2 H 7.214 0.000 1 260 . 34 PHE HE1 H 6.813 0.002 1 261 . 34 PHE HE2 H 6.813 0.002 1 262 . 34 PHE HZ H 6.701 0.000 1 263 . 34 PHE C C 173.408 0.000 1 264 . 34 PHE CA C 57.932 0.000 1 265 . 34 PHE CB C 45.271 0.000 1 266 . 34 PHE CD1 C 132.632 0.000 1 267 . 34 PHE CE1 C 131.337 0.000 1 268 . 34 PHE CZ C 128.100 0.000 1 269 . 34 PHE N N 121.356 0.000 1 270 . 35 SER H H 9.155 0.001 1 271 . 35 SER HA H 5.199 0.000 1 272 . 35 SER HB2 H 4.087 0.000 2 273 . 35 SER HB3 H 3.838 0.000 2 274 . 35 SER CA C 55.786 0.000 1 275 . 35 SER CB C 64.826 0.000 1 276 . 35 SER N N 116.816 0.000 1 277 . 36 PRO HA H 4.161 0.000 1 278 . 36 PRO HB2 H 2.095 0.000 2 279 . 36 PRO HB3 H 2.002 0.000 2 280 . 36 PRO HG2 H 1.830 0.000 2 281 . 36 PRO HG3 H 1.932 0.002 2 282 . 36 PRO HD2 H 4.047 0.001 2 283 . 36 PRO HD3 H 3.588 0.000 2 284 . 36 PRO C C 176.592 0.000 1 285 . 36 PRO CA C 64.438 0.000 1 286 . 36 PRO CB C 31.801 0.033 1 287 . 36 PRO CG C 28.272 0.000 1 288 . 36 PRO CD C 50.931 0.000 1 289 . 37 ASN H H 8.040 0.001 1 290 . 37 ASN HA H 4.627 0.000 1 291 . 37 ASN HB2 H 2.911 0.000 2 292 . 37 ASN HB3 H 2.630 0.000 2 293 . 37 ASN C C 174.954 0.000 1 294 . 37 ASN CA C 53.646 0.000 1 295 . 37 ASN CB C 39.033 0.000 1 296 . 37 ASN N N 112.990 0.000 1 297 . 38 ASP H H 7.704 0.001 1 298 . 38 ASP HA H 4.771 0.000 1 299 . 38 ASP HB2 H 2.853 0.000 2 300 . 38 ASP HB3 H 2.293 0.000 2 301 . 38 ASP C C 174.944 0.000 1 302 . 38 ASP CA C 55.915 0.000 1 303 . 38 ASP CB C 41.380 0.000 1 304 . 38 ASP N N 121.333 0.000 1 305 . 39 SER H H 9.094 0.001 1 306 . 39 SER HA H 4.363 0.000 1 307 . 39 SER HB2 H 3.959 0.000 2 308 . 39 SER HB3 H 3.422 0.000 2 309 . 39 SER C C 175.626 0.000 1 310 . 39 SER CA C 55.463 0.000 1 311 . 39 SER CB C 65.150 0.000 1 312 . 39 SER N N 117.732 0.000 1 313 . 40 ALA H H 8.397 0.000 1 314 . 40 ALA HA H 3.841 0.000 1 315 . 40 ALA HB H 1.440 0.000 1 316 . 40 ALA C C 180.523 0.000 1 317 . 40 ALA CA C 55.932 0.000 1 318 . 40 ALA CB C 18.438 0.000 1 319 . 40 ALA N N 122.486 0.000 1 320 . 41 SER H H 9.143 0.001 1 321 . 41 SER HA H 5.132 0.000 1 322 . 41 SER HB2 H 4.347 0.000 2 323 . 41 SER HB3 H 3.763 0.000 2 324 . 41 SER C C 177.045 0.000 1 325 . 41 SER CA C 56.110 0.000 1 326 . 41 SER CB C 67.092 0.000 1 327 . 41 SER N N 115.561 0.000 1 328 . 42 ASP H H 7.888 0.001 1 329 . 42 ASP HA H 4.304 0.000 1 330 . 42 ASP HB2 H 3.155 0.000 2 331 . 42 ASP HB3 H 2.673 0.001 2 332 . 42 ASP C C 175.534 1.974 1 333 . 42 ASP CA C 57.827 0.000 1 334 . 42 ASP CB C 40.573 0.003 1 335 . 42 ASP N N 124.622 0.000 1 336 . 43 ILE H H 8.515 0.000 1 337 . 43 ILE HA H 3.171 0.000 1 338 . 43 ILE HB H 1.527 0.000 1 339 . 43 ILE HG12 H -0.989 0.008 2 340 . 43 ILE HG13 H 0.959 0.000 2 341 . 43 ILE HG2 H 0.341 0.000 1 342 . 43 ILE HD1 H 0.133 0.000 1 343 . 43 ILE C C 177.134 0.000 1 344 . 43 ILE CA C 65.196 0.000 1 345 . 43 ILE CB C 37.948 0.000 1 346 . 43 ILE CG1 C 27.624 0.000 1 347 . 43 ILE CG2 C 16.318 0.000 1 348 . 43 ILE CD1 C 14.053 0.000 1 349 . 43 ILE N N 122.979 0.843 1 350 . 44 ALA H H 7.839 0.000 1 351 . 44 ALA HA H 3.741 0.000 1 352 . 44 ALA HB H 1.478 0.000 1 353 . 44 ALA C C 178.893 0.000 1 354 . 44 ALA CA C 56.065 0.000 1 355 . 44 ALA CB C 18.720 0.000 1 356 . 44 ALA N N 121.231 0.000 1 357 . 45 LYS H H 7.735 0.001 1 358 . 45 LYS HA H 3.847 0.000 1 359 . 45 LYS HB2 H 1.981 0.000 2 360 . 45 LYS HB3 H 1.840 0.000 2 361 . 45 LYS HG2 H 1.451 0.000 1 362 . 45 LYS HG3 H 1.451 0.000 1 363 . 45 LYS HD2 H 1.407 0.000 1 364 . 45 LYS HD3 H 1.407 0.000 1 365 . 45 LYS HE2 H 3.012 0.000 2 366 . 45 LYS HE3 H 2.967 0.002 2 367 . 45 LYS C C 177.538 0.000 1 368 . 45 LYS CA C 60.001 0.000 1 369 . 45 LYS CB C 32.868 0.062 1 370 . 45 LYS CG C 25.358 0.000 1 371 . 45 LYS CD C 26.006 0.000 1 372 . 45 LYS CE C 42.514 0.000 1 373 . 45 LYS N N 115.955 0.000 1 374 . 46 HIS H H 8.460 0.001 1 375 . 46 HIS HA H 4.330 0.000 1 376 . 46 HIS HB2 H 3.500 0.000 2 377 . 46 HIS HB3 H 3.441 0.000 2 378 . 46 HIS HD2 H 6.614 0.000 1 379 . 46 HIS HE1 H 8.537 0.001 1 380 . 46 HIS C C 178.402 0.000 1 381 . 46 HIS CA C 60.223 0.000 1 382 . 46 HIS CB C 29.332 0.080 1 383 . 46 HIS CD2 C 119.701 0.000 1 384 . 46 HIS CE1 C 138.329 0.000 1 385 . 46 HIS N N 117.214 0.000 1 386 . 47 VAL H H 8.843 0.001 1 387 . 47 VAL HA H 3.296 0.000 1 388 . 47 VAL HB H 2.049 0.000 1 389 . 47 VAL HG1 H 0.545 0.000 2 390 . 47 VAL HG2 H 0.970 0.000 2 391 . 47 VAL C C 177.333 0.000 1 392 . 47 VAL CA C 67.116 0.000 1 393 . 47 VAL CB C 31.832 0.000 1 394 . 47 VAL CG1 C 22.469 0.000 1 395 . 47 VAL CG2 C 22.145 0.000 1 396 . 47 VAL N N 119.403 0.000 1 397 . 48 TYR H H 8.348 0.006 1 398 . 48 TYR HD1 H 6.830 0.000 1 399 . 48 TYR HD2 H 6.830 0.000 1 400 . 48 TYR HE1 H 6.571 0.000 1 401 . 48 TYR HE2 H 6.571 0.000 1 402 . 48 TYR CD1 C 133.279 0.000 1 403 . 48 TYR CE1 C 118.649 0.000 1 404 . 48 TYR N N 119.850 0.000 1 405 . 52 PRO HA H 3.817 0.000 1 406 . 52 PRO HB2 H 1.772 0.000 1 407 . 52 PRO HB3 H 1.772 0.000 1 408 . 52 PRO HG2 H 1.692 0.000 2 409 . 52 PRO HG3 H 1.900 0.000 2 410 . 52 PRO HD2 H 1.910 0.000 2 411 . 52 PRO HD3 H 3.481 0.000 2 412 . 52 PRO CA C 64.179 0.000 1 413 . 52 PRO CB C 30.861 0.000 1 414 . 52 PRO CG C 26.329 0.000 1 415 . 52 PRO CD C 49.636 0.000 1 416 . 57 GLU C C 174.314 0.000 1 417 . 58 GLU H H 8.463 0.000 1 418 . 58 GLU HA H 4.343 0.000 1 419 . 58 GLU HB2 H 2.055 0.000 2 420 . 58 GLU HB3 H 1.908 0.000 2 421 . 58 GLU HG2 H 2.221 0.000 1 422 . 58 GLU HG3 H 2.221 0.000 1 423 . 58 GLU C C 176.204 0.484 1 424 . 58 GLU CA C 56.694 0.000 1 425 . 58 GLU CB C 30.118 0.000 1 426 . 58 GLU CG C 35.957 0.000 1 427 . 58 GLU N N 121.118 0.000 1 428 . 59 GLN HA H 4.494 0.000 1 429 . 59 GLN HB2 H 2.886 0.000 1 430 . 59 GLN HB3 H 2.886 0.000 1 431 . 59 GLN C C 173.767 0.000 1 432 . 59 GLN CA C 58.661 0.000 1 433 . 59 GLN CB C 28.137 0.000 1 434 . 60 VAL H H 7.994 0.002 1 435 . 60 VAL HA H 4.240 0.000 1 436 . 60 VAL HG2 H 1.418 0.328 2 437 . 60 VAL C C 174.689 0.000 1 438 . 60 VAL CA C 61.937 0.000 1 439 . 60 VAL CG2 C 19.555 0.000 1 440 . 60 VAL N N 125.116 0.000 1 441 . 61 SER H H 7.004 0.000 1 442 . 61 SER N N 113.659 0.000 1 443 . 63 PRO HA H 4.360 0.000 1 444 . 63 PRO HB2 H 2.188 0.000 2 445 . 63 PRO HB3 H 2.243 0.000 2 446 . 63 PRO HG2 H 1.993 0.000 2 447 . 63 PRO HG3 H 1.978 0.000 2 448 . 63 PRO HD2 H 3.676 0.000 2 449 . 63 PRO HD3 H 3.765 0.000 2 450 . 63 PRO CA C 63.879 0.000 1 451 . 63 PRO CB C 32.156 0.000 1 452 . 63 PRO CG C 27.948 0.000 1 453 . 63 PRO CD C 50.931 0.000 1 454 . 64 ASN H H 7.778 0.002 1 455 . 64 ASN N N 114.203 0.000 1 456 . 65 ILE H H 6.877 0.000 1 457 . 65 ILE HA H 4.112 0.000 1 458 . 65 ILE HB H 1.976 0.000 1 459 . 65 ILE HG12 H 1.325 0.000 1 460 . 65 ILE HG13 H 1.325 0.000 1 461 . 65 ILE HG2 H 0.902 0.002 1 462 . 65 ILE HD1 H 0.869 0.000 1 463 . 65 ILE CA C 60.874 0.000 1 464 . 65 ILE CB C 38.630 0.000 1 465 . 65 ILE CG1 C 27.171 0.000 1 466 . 65 ILE CG2 C 18.584 0.000 1 467 . 65 ILE CD1 C 14.053 0.000 1 468 . 65 ILE N N 113.424 0.000 1 469 . 66 LEU H H 7.071 0.001 1 470 . 66 LEU HA H 4.744 0.000 1 471 . 66 LEU HB2 H 2.111 0.000 2 472 . 66 LEU HB3 H 1.281 0.000 2 473 . 66 LEU HG H 1.181 0.000 1 474 . 66 LEU HD1 H 0.958 0.000 2 475 . 66 LEU C C 176.549 0.000 1 476 . 66 LEU CA C 54.828 0.000 1 477 . 66 LEU CB C 43.162 0.000 1 478 . 66 LEU CG C 26.432 0.000 1 479 . 66 LEU CD1 C 23.416 0.000 1 480 . 66 LEU N N 120.102 0.000 1 481 . 67 ARG H H 9.135 0.001 1 482 . 67 ARG HA H 4.725 0.000 1 483 . 67 ARG HB2 H 1.787 0.000 1 484 . 67 ARG HB3 H 1.787 0.000 1 485 . 67 ARG HG2 H 1.644 0.000 1 486 . 67 ARG HG3 H 1.644 0.000 1 487 . 67 ARG HD2 H 2.997 0.000 1 488 . 67 ARG HD3 H 2.997 0.000 1 489 . 67 ARG C C 174.435 0.000 1 490 . 67 ARG CA C 53.116 0.000 1 491 . 67 ARG CB C 33.643 0.000 1 492 . 67 ARG CG C 26.494 0.000 1 493 . 67 ARG CD C 43.020 0.000 1 494 . 67 ARG N N 120.439 0.000 1 495 . 68 LEU H H 9.176 0.001 1 496 . 68 LEU HA H 5.149 0.000 1 497 . 68 LEU HB2 H 1.508 0.000 2 498 . 68 LEU HB3 H 1.684 0.000 2 499 . 68 LEU HG H 1.541 0.000 1 500 . 68 LEU HD1 H 0.801 0.000 2 501 . 68 LEU HD2 H 0.995 0.000 2 502 . 68 LEU C C 176.114 0.000 1 503 . 68 LEU CA C 53.806 0.000 1 504 . 68 LEU CB C 45.104 0.000 1 505 . 68 LEU CG C 27.948 0.000 1 506 . 68 LEU CD1 C 25.682 0.000 1 507 . 68 LEU CD2 C 25.035 0.000 1 508 . 68 LEU N N 123.018 0.000 1 509 . 69 ILE H H 8.961 0.001 1 510 . 69 ILE HA H 4.656 0.000 1 511 . 69 ILE HB H 1.468 0.000 1 512 . 69 ILE HG12 H 0.055 0.000 2 513 . 69 ILE HG13 H 1.152 0.000 2 514 . 69 ILE HG2 H 0.431 0.000 1 515 . 69 ILE HD1 H 0.394 0.000 1 516 . 69 ILE C C 176.168 0.000 1 517 . 69 ILE CA C 60.062 0.000 1 518 . 69 ILE CB C 40.084 0.000 1 519 . 69 ILE CG1 C 27.300 0.000 1 520 . 69 ILE CG2 C 17.155 0.000 1 521 . 69 ILE CD1 C 14.082 0.000 1 522 . 69 ILE N N 120.302 0.000 1 523 . 70 TYR H H 8.896 0.001 1 524 . 70 TYR HA H 5.082 0.000 1 525 . 70 TYR HB2 H 3.208 0.000 2 526 . 70 TYR HB3 H 2.735 0.000 2 527 . 70 TYR HD1 H 7.205 0.000 1 528 . 70 TYR HD2 H 7.205 0.000 1 529 . 70 TYR HE1 H 6.831 0.000 1 530 . 70 TYR HE2 H 6.831 0.000 1 531 . 70 TYR C C 174.755 0.000 1 532 . 70 TYR CA C 56.254 0.000 1 533 . 70 TYR CB C 42.131 0.000 1 534 . 70 TYR CD1 C 133.279 0.000 1 535 . 70 TYR CE1 C 118.908 0.000 1 536 . 70 TYR N N 128.546 0.000 1 537 . 71 GLN H H 9.031 0.001 1 538 . 71 GLN HA H 3.593 0.000 1 539 . 71 GLN HB2 H 1.843 0.000 2 540 . 71 GLN HB3 H 1.592 0.000 2 541 . 71 GLN HG2 H 1.041 0.000 2 542 . 71 GLN HG3 H 1.566 0.000 2 543 . 71 GLN C C 176.359 0.000 1 544 . 71 GLN CA C 56.667 0.000 1 545 . 71 GLN CB C 26.029 0.000 1 546 . 71 GLN CG C 33.127 0.000 1 547 . 71 GLN N N 126.332 0.000 1 548 . 72 GLY H H 8.208 0.001 1 549 . 72 GLY HA2 H 3.951 0.000 2 550 . 72 GLY HA3 H 3.336 0.000 2 551 . 72 GLY C C 173.500 0.000 1 552 . 72 GLY CA C 45.717 0.000 1 553 . 72 GLY N N 127.738 0.000 1 554 . 73 ARG H H 7.648 0.001 1 555 . 73 ARG HA H 4.685 0.000 1 556 . 73 ARG HB2 H 1.808 0.000 1 557 . 73 ARG HB3 H 1.808 0.000 1 558 . 73 ARG HG2 H 1.590 0.000 1 559 . 73 ARG HG3 H 1.590 0.000 1 560 . 73 ARG HD2 H 3.188 0.000 1 561 . 73 ARG HD3 H 3.188 0.000 1 562 . 73 ARG HE H 7.184 0.002 1 563 . 73 ARG C C 175.060 0.000 1 564 . 73 ARG CA C 54.188 0.000 1 565 . 73 ARG CB C 33.313 0.000 1 566 . 73 ARG CG C 26.862 0.000 1 567 . 73 ARG CD C 43.978 0.000 1 568 . 73 ARG N N 119.834 0.000 1 569 . 73 ARG NE N 109.813 0.000 1 570 . 74 PHE H H 8.580 0.012 1 571 . 74 PHE HA H 4.916 0.000 1 572 . 74 PHE HB2 H 2.766 0.000 2 573 . 74 PHE HB3 H 2.930 0.000 2 574 . 74 PHE HD1 H 7.143 0.004 1 575 . 74 PHE HD2 H 7.143 0.004 1 576 . 74 PHE C C 177.459 0.000 1 577 . 74 PHE CA C 57.811 0.000 1 578 . 74 PHE CB C 39.919 0.005 1 579 . 74 PHE CD1 C 131.791 0.000 1 580 . 74 PHE N N 121.275 0.041 1 581 . 75 LEU H H 8.782 0.000 1 582 . 75 LEU HA H 4.525 0.000 1 583 . 75 LEU HB2 H 1.771 0.000 2 584 . 75 LEU HB3 H 1.302 0.000 2 585 . 75 LEU HG H 1.756 0.000 1 586 . 75 LEU HD1 H 0.947 0.000 2 587 . 75 LEU HD2 H 0.778 0.000 2 588 . 75 LEU C C 178.120 0.000 1 589 . 75 LEU CA C 54.538 0.000 1 590 . 75 LEU CB C 42.066 0.000 1 591 . 75 LEU CG C 26.997 0.000 1 592 . 75 LEU CD1 C 23.740 0.000 1 593 . 75 LEU CD2 C 26.002 0.000 1 594 . 75 LEU N N 124.000 0.000 1 595 . 76 HIS H H 8.679 0.001 1 596 . 76 HIS HA H 4.533 0.000 1 597 . 76 HIS HB2 H 3.158 0.000 2 598 . 76 HIS HB3 H 3.394 0.000 2 599 . 76 HIS HD2 H 7.310 0.000 1 600 . 76 HIS C C 176.072 0.000 1 601 . 76 HIS CA C 56.351 0.000 1 602 . 76 HIS CB C 29.591 0.000 1 603 . 76 HIS CD2 C 119.574 0.000 1 604 . 76 HIS N N 123.345 0.000 1 605 . 77 GLY H H 8.563 0.001 1 606 . 77 GLY HA2 H 3.917 0.000 2 607 . 77 GLY HA3 H 3.722 0.000 2 608 . 77 GLY C C 173.927 0.000 1 609 . 77 GLY CA C 47.986 0.000 1 610 . 77 GLY N N 107.795 0.000 1 611 . 78 ASN H H 8.190 0.001 1 612 . 78 ASN HA H 4.713 0.000 1 613 . 78 ASN HB2 H 3.014 0.000 2 614 . 78 ASN HB3 H 2.790 0.000 2 615 . 78 ASN C C 176.093 0.000 1 616 . 78 ASN CA C 53.146 0.000 1 617 . 78 ASN CB C 38.149 0.000 1 618 . 78 ASN N N 112.937 0.000 1 619 . 79 VAL H H 7.661 0.001 1 620 . 79 VAL HA H 3.958 0.000 1 621 . 79 VAL HB H 2.096 0.000 1 622 . 79 VAL HG1 H 1.113 0.000 2 623 . 79 VAL HG2 H 0.990 0.000 2 624 . 79 VAL C C 175.068 0.000 1 625 . 79 VAL CA C 63.738 0.000 1 626 . 79 VAL CB C 32.974 0.000 1 627 . 79 VAL CG1 C 23.839 0.000 1 628 . 79 VAL CG2 C 21.939 0.000 1 629 . 79 VAL N N 123.840 0.000 1 630 . 80 THR H H 7.444 0.001 1 631 . 80 THR HA H 5.063 0.000 1 632 . 80 THR HB H 4.527 0.000 1 633 . 80 THR HG2 H 1.063 0.000 1 634 . 80 THR C C 175.742 0.000 1 635 . 80 THR CA C 59.186 0.000 1 636 . 80 THR CB C 71.965 0.000 1 637 . 80 THR CG2 C 21.821 0.000 1 638 . 80 THR N N 114.684 0.000 1 639 . 81 LEU H H 7.805 0.001 1 640 . 81 LEU HA H 3.842 0.000 1 641 . 81 LEU HB2 H 1.915 0.000 2 642 . 81 LEU HB3 H 1.209 0.000 2 643 . 81 LEU HG H 1.757 0.000 1 644 . 81 LEU HD1 H 0.441 0.000 2 645 . 81 LEU HD2 H 0.737 0.000 2 646 . 81 LEU C C 180.687 0.000 1 647 . 81 LEU CA C 57.772 0.000 1 648 . 81 LEU CB C 41.309 0.000 1 649 . 81 LEU CG C 26.041 0.000 1 650 . 81 LEU CD1 C 20.850 0.000 1 651 . 81 LEU CD2 C 26.002 0.000 1 652 . 81 LEU N N 117.342 0.000 1 653 . 82 GLY H H 9.539 0.001 1 654 . 82 GLY HA2 H 3.915 0.000 1 655 . 82 GLY HA3 H 3.915 0.000 1 656 . 82 GLY C C 177.672 0.000 1 657 . 82 GLY CA C 46.721 0.000 1 658 . 82 GLY N N 106.804 0.000 1 659 . 83 ALA H H 7.861 0.001 1 660 . 83 ALA HA H 4.164 0.000 1 661 . 83 ALA HB H 1.528 0.000 1 662 . 83 ALA C C 179.970 0.000 1 663 . 83 ALA CA C 54.713 0.000 1 664 . 83 ALA CB C 18.431 0.000 1 665 . 83 ALA N N 126.305 0.000 1 666 . 84 LEU H H 7.271 0.001 1 667 . 84 LEU HA H 4.139 0.000 1 668 . 84 LEU HB2 H 1.805 0.000 2 669 . 84 LEU HB3 H 1.377 0.000 2 670 . 84 LEU HG H 1.760 0.000 1 671 . 84 LEU HD1 H 0.517 0.000 2 672 . 84 LEU HD2 H 0.807 0.000 2 673 . 84 LEU C C 176.194 0.000 1 674 . 84 LEU CA C 55.121 0.000 1 675 . 84 LEU CB C 42.730 0.000 1 676 . 84 LEU CG C 26.252 0.000 1 677 . 84 LEU CD1 C 26.252 0.000 1 678 . 84 LEU CD2 C 22.769 0.000 1 679 . 84 LEU N N 116.230 0.000 1 680 . 85 LYS H H 7.777 0.000 1 681 . 85 LYS HA H 3.832 0.000 1 682 . 85 LYS HB2 H 2.007 0.000 2 683 . 85 LYS HB3 H 1.829 0.000 2 684 . 85 LYS HG2 H 1.722 0.001 2 685 . 85 LYS HG3 H 1.626 0.000 2 686 . 85 LYS HD2 H 1.324 0.000 1 687 . 85 LYS HD3 H 1.324 0.000 1 688 . 85 LYS HE2 H 2.975 0.008 1 689 . 85 LYS HE3 H 2.975 0.008 1 690 . 85 LYS C C 176.210 0.000 1 691 . 85 LYS CA C 56.865 0.000 1 692 . 85 LYS CB C 28.749 0.000 1 693 . 85 LYS CG C 29.243 0.000 1 694 . 85 LYS CD C 25.035 0.000 1 695 . 85 LYS CE C 42.514 0.000 1 696 . 85 LYS N N 114.152 0.000 1 697 . 86 LEU H H 7.209 0.001 1 698 . 86 LEU HA H 4.247 0.000 1 699 . 86 LEU HB2 H 1.357 0.000 2 700 . 86 LEU HB3 H 1.273 0.000 2 701 . 86 LEU HG H 1.645 0.000 1 702 . 86 LEU HD1 H 0.654 0.000 2 703 . 86 LEU HD2 H 0.630 0.000 2 704 . 86 LEU CA C 53.197 0.000 1 705 . 86 LEU CB C 39.925 0.000 1 706 . 86 LEU CG C 26.977 0.000 1 707 . 86 LEU CD1 C 27.624 0.000 1 708 . 86 LEU CD2 C 22.469 0.000 1 709 . 86 LEU N N 118.390 0.000 1 710 . 87 PRO HA H 4.323 0.000 1 711 . 87 PRO HB2 H 2.175 0.001 2 712 . 87 PRO HB3 H 1.728 0.000 2 713 . 87 PRO HG2 H 2.041 0.000 1 714 . 87 PRO HG3 H 2.041 0.000 1 715 . 87 PRO HD2 H 3.475 0.000 2 716 . 87 PRO HD3 H 3.737 0.000 2 717 . 87 PRO C C 177.283 0.000 1 718 . 87 PRO CA C 62.580 0.000 1 719 . 87 PRO CB C 31.832 0.000 1 720 . 87 PRO CG C 27.948 0.000 1 721 . 87 PRO CD C 50.607 0.000 1 722 . 88 PHE H H 8.309 0.001 1 723 . 88 PHE HA H 4.472 0.000 1 724 . 88 PHE HB2 H 2.917 0.000 2 725 . 88 PHE HB3 H 3.301 0.000 2 726 . 88 PHE HD1 H 7.206 0.002 1 727 . 88 PHE HD2 H 7.206 0.002 1 728 . 88 PHE HE1 H 7.009 0.000 1 729 . 88 PHE HE2 H 7.009 0.000 1 730 . 88 PHE HZ H 6.595 0.000 1 731 . 88 PHE C C 178.354 0.000 1 732 . 88 PHE CA C 57.255 0.000 1 733 . 88 PHE CB C 38.936 0.000 1 734 . 88 PHE CD1 C 132.826 0.000 1 735 . 88 PHE CE1 C 130.990 0.000 1 736 . 88 PHE CZ C 129.007 0.000 1 737 . 88 PHE N N 122.769 0.000 1 738 . 89 GLY H H 9.238 0.001 1 739 . 89 GLY HA2 H 3.936 0.000 2 740 . 89 GLY HA3 H 3.727 0.000 2 741 . 89 GLY C C 173.514 0.000 1 742 . 89 GLY CA C 46.884 0.000 1 743 . 89 GLY N N 109.148 0.000 1 744 . 90 LYS H H 7.030 0.001 1 745 . 90 LYS HA H 4.735 0.000 1 746 . 90 LYS HB2 H 1.924 0.000 2 747 . 90 LYS HB3 H 1.520 0.000 2 748 . 90 LYS HG2 H 1.405 0.000 2 749 . 90 LYS HG3 H 1.355 0.000 2 750 . 90 LYS HD2 H 1.716 0.000 2 751 . 90 LYS HD3 H 1.622 0.000 2 752 . 90 LYS HE2 H 2.999 0.000 1 753 . 90 LYS HE3 H 2.999 0.000 1 754 . 90 LYS C C 176.285 0.000 1 755 . 90 LYS CA C 54.125 0.000 1 756 . 90 LYS CB C 36.718 0.000 1 757 . 90 LYS CG C 25.129 0.042 1 758 . 90 LYS CD C 28.876 0.047 1 759 . 90 LYS CE C 43.056 0.000 1 760 . 90 LYS N N 116.353 0.000 1 761 . 91 THR H H 8.797 0.001 1 762 . 91 THR HA H 5.300 0.000 1 763 . 91 THR HB H 3.942 0.000 1 764 . 91 THR HG2 H 0.968 0.000 1 765 . 91 THR C C 174.961 0.000 1 766 . 91 THR CA C 62.768 0.000 1 767 . 91 THR CB C 69.834 0.000 1 768 . 91 THR CG2 C 22.333 0.000 1 769 . 91 THR N N 121.745 0.000 1 770 . 92 THR H H 8.955 0.001 1 771 . 92 THR HA H 4.557 0.000 1 772 . 92 THR HB H 3.731 0.000 1 773 . 92 THR HG2 H 1.205 0.000 1 774 . 92 THR C C 172.689 0.000 1 775 . 92 THR CA C 63.182 0.000 1 776 . 92 THR CB C 71.788 0.000 1 777 . 92 THR CG2 C 22.974 0.000 1 778 . 92 THR N N 126.410 0.000 1 779 . 93 VAL H H 8.752 0.001 1 780 . 93 VAL HA H 4.953 0.000 1 781 . 93 VAL HB H 2.010 0.000 1 782 . 93 VAL HG1 H 0.833 0.000 2 783 . 93 VAL HG2 H 1.009 0.083 2 784 . 93 VAL C C 176.596 0.000 1 785 . 93 VAL CA C 62.122 0.000 1 786 . 93 VAL CB C 33.529 0.000 1 787 . 93 VAL CG1 C 21.680 0.000 1 788 . 93 VAL CG2 C 22.490 0.000 1 789 . 93 VAL N N 128.761 0.000 1 790 . 94 MET H H 8.941 0.001 1 791 . 94 MET HA H 5.074 0.000 1 792 . 94 MET HB2 H 1.631 0.000 2 793 . 94 MET HB3 H 2.024 0.000 2 794 . 94 MET HG2 H 2.872 0.000 2 795 . 94 MET HG3 H 2.321 0.000 2 796 . 94 MET HE H 1.347 0.000 1 797 . 94 MET C C 174.579 0.000 1 798 . 94 MET CA C 55.826 0.000 1 799 . 94 MET CB C 37.384 0.000 1 800 . 94 MET CG C 35.393 0.000 1 801 . 94 MET CE C 18.544 0.000 1 802 . 94 MET N N 123.367 0.000 1 803 . 95 HIS H H 8.482 0.001 1 804 . 95 HIS HA H 5.199 0.000 1 805 . 95 HIS HB2 H 2.836 0.000 2 806 . 95 HIS HB3 H 3.253 0.000 2 807 . 95 HIS HD2 H 7.042 0.000 1 808 . 95 HIS HE1 H 8.508 0.000 1 809 . 95 HIS C C 172.837 0.000 1 810 . 95 HIS CA C 55.605 0.000 1 811 . 95 HIS CB C 30.953 0.000 1 812 . 95 HIS CD2 C 119.483 0.000 1 813 . 95 HIS CE1 C 136.645 0.000 1 814 . 95 HIS N N 117.718 0.000 1 815 . 96 LEU H H 8.303 0.001 1 816 . 96 LEU HA H 5.370 0.000 1 817 . 96 LEU HB2 H 1.145 0.000 2 818 . 96 LEU HB3 H 1.752 0.002 2 819 . 96 LEU HG H 1.057 0.000 1 820 . 96 LEU HD1 H 0.794 0.000 2 821 . 96 LEU HD2 H 1.005 0.000 2 822 . 96 LEU C C 175.396 0.000 1 823 . 96 LEU CA C 53.802 0.000 1 824 . 96 LEU CB C 45.751 0.000 1 825 . 96 LEU CG C 27.300 0.000 1 826 . 96 LEU CD1 C 25.682 0.000 1 827 . 96 LEU CD2 C 25.035 0.000 1 828 . 96 LEU N N 125.668 0.000 1 829 . 97 VAL H H 9.173 0.001 1 830 . 97 VAL HA H 4.643 0.000 1 831 . 97 VAL HB H 2.169 0.000 1 832 . 97 VAL HG1 H 0.879 0.000 2 833 . 97 VAL HG2 H 0.882 0.000 2 834 . 97 VAL C C 173.429 0.000 1 835 . 97 VAL CA C 59.976 0.000 1 836 . 97 VAL CB C 36.145 0.000 1 837 . 97 VAL CG1 C 19.879 0.000 1 838 . 97 VAL CG2 C 20.527 0.000 1 839 . 97 VAL N N 121.544 0.000 1 840 . 98 ALA H H 8.612 0.001 1 841 . 98 ALA HA H 5.001 0.000 1 842 . 98 ALA HB H 1.332 0.000 1 843 . 98 ALA C C 177.233 0.000 1 844 . 98 ALA CA C 50.795 0.000 1 845 . 98 ALA CB C 20.554 0.000 1 846 . 98 ALA N N 125.623 0.000 1 847 . 99 ARG H H 8.699 0.001 1 848 . 99 ARG HA H 4.402 0.000 1 849 . 99 ARG HB2 H 1.734 0.000 2 850 . 99 ARG HB3 H 1.632 0.001 2 851 . 99 ARG HG2 H 1.522 0.000 1 852 . 99 ARG HG3 H 1.522 0.000 1 853 . 99 ARG HD2 H 3.132 0.000 1 854 . 99 ARG HD3 H 3.132 0.000 1 855 . 99 ARG HE H 7.093 0.000 1 856 . 99 ARG C C 175.105 0.000 1 857 . 99 ARG CA C 55.842 0.000 1 858 . 99 ARG CB C 32.202 0.036 1 859 . 99 ARG CG C 27.624 0.000 1 860 . 99 ARG CD C 40.572 0.000 1 861 . 99 ARG N N 122.911 0.000 1 862 . 99 ARG NE N 115.241 0.000 1 863 . 100 GLU H H 8.779 0.001 1 864 . 100 GLU HA H 4.158 0.000 1 865 . 100 GLU HB2 H 1.980 0.000 1 866 . 100 GLU HB3 H 1.980 0.000 1 867 . 100 GLU HG2 H 1.912 0.006 1 868 . 100 GLU HG3 H 1.912 0.006 1 869 . 100 GLU C C 176.299 0.000 1 870 . 100 GLU CA C 57.774 0.000 1 871 . 100 GLU CB C 30.225 0.000 1 872 . 100 GLU CG C 34.746 0.000 1 873 . 100 GLU N N 124.434 0.000 1 874 . 101 THR H H 8.036 0.001 1 875 . 101 THR HA H 4.304 0.000 1 876 . 101 THR HB H 4.044 0.000 1 877 . 101 THR HG2 H 1.103 0.000 1 878 . 101 THR C C 173.940 0.000 1 879 . 101 THR CA C 61.301 0.000 1 880 . 101 THR CB C 70.810 0.000 1 881 . 101 THR CG2 C 21.821 0.000 1 882 . 101 THR N N 114.217 0.000 1 883 . 102 LEU H H 8.340 0.001 1 884 . 102 LEU HA H 4.429 0.000 1 885 . 102 LEU HB2 H 1.491 0.000 2 886 . 102 LEU HB3 H 1.427 0.000 2 887 . 102 LEU HG H 0.775 0.000 1 888 . 102 LEU HD1 H 0.664 0.000 2 889 . 102 LEU CA C 52.873 0.000 1 890 . 102 LEU CB C 42.191 0.000 1 891 . 102 LEU CG C 25.035 0.000 1 892 . 102 LEU CD1 C 23.416 0.000 1 893 . 102 LEU N N 125.808 0.000 1 894 . 103 PRO HA H 4.354 0.000 1 895 . 103 PRO HB2 H 1.880 0.000 2 896 . 103 PRO HB3 H 1.799 0.000 2 897 . 103 PRO HG2 H 1.988 0.000 2 898 . 103 PRO HG3 H 1.905 0.000 2 899 . 103 PRO HD2 H 3.424 0.000 2 900 . 103 PRO HD3 H 3.587 0.000 2 901 . 103 PRO CA C 63.231 0.000 1 902 . 103 PRO CB C 32.156 0.000 1 903 . 103 PRO CG C 27.624 0.000 1 904 . 103 PRO CD C 50.607 0.000 1 905 . 104 GLU HA H 4.531 0.000 1 906 . 104 GLU HB2 H 2.035 0.000 2 907 . 104 GLU HB3 H 1.843 0.000 2 908 . 104 GLU HG2 H 2.305 0.000 1 909 . 104 GLU HG3 H 2.305 0.000 1 910 . 104 GLU CA C 54.491 0.000 1 911 . 104 GLU CB C 29.890 0.000 1 912 . 104 GLU CG C 36.040 0.000 1 913 . 105 PRO HA H 4.341 0.000 1 914 . 105 PRO HB2 H 1.798 0.000 2 915 . 105 PRO HB3 H 2.185 0.000 2 916 . 105 PRO HG2 H 1.986 0.000 1 917 . 105 PRO HG3 H 1.986 0.000 1 918 . 105 PRO HD2 H 3.677 0.002 2 919 . 105 PRO HD3 H 3.759 0.000 2 920 . 105 PRO C C 177.003 0.000 1 921 . 105 PRO CA C 63.570 0.048 1 922 . 105 PRO CB C 31.870 0.104 1 923 . 105 PRO CG C 27.948 0.000 1 924 . 105 PRO CD C 51.200 0.121 1 925 . 106 ASN H H 8.537 0.001 1 926 . 106 ASN HA H 4.628 0.000 1 927 . 106 ASN HB2 H 2.790 0.000 1 928 . 106 ASN HB3 H 2.790 0.000 1 929 . 106 ASN C C 175.721 0.000 1 930 . 106 ASN CA C 53.661 0.000 1 931 . 106 ASN CB C 38.779 0.000 1 932 . 106 ASN N N 118.367 0.000 1 933 . 107 SER H H 8.235 0.001 1 934 . 107 SER HA H 4.396 0.000 1 935 . 107 SER HB2 H 3.842 0.000 1 936 . 107 SER HB3 H 3.842 0.000 1 937 . 107 SER C C 175.802 0.729 1 938 . 107 SER CA C 59.014 0.000 1 939 . 107 SER CB C 64.390 0.000 1 940 . 107 SER N N 116.173 0.000 1 941 . 108 GLN H H 8.402 0.001 1 942 . 108 GLN HA H 4.269 0.000 1 943 . 108 GLN HB2 H 2.113 0.000 2 944 . 108 GLN HB3 H 1.955 0.000 2 945 . 108 GLN HG2 H 2.330 0.000 1 946 . 108 GLN HG3 H 2.330 0.000 1 947 . 108 GLN C C 176.852 0.000 1 948 . 108 GLN CA C 56.708 0.000 1 949 . 108 GLN CB C 29.498 0.000 1 950 . 108 GLN CG C 33.774 0.000 1 951 . 108 GLN N N 121.844 0.000 1 952 . 109 GLY H H 8.341 0.001 1 953 . 109 GLY HA2 H 3.897 0.000 2 954 . 109 GLY HA3 H 3.990 0.000 2 955 . 109 GLY C C 174.442 0.000 1 956 . 109 GLY CA C 45.803 0.000 1 957 . 109 GLY N N 109.395 0.000 1 958 . 110 GLN H H 8.171 0.001 1 959 . 110 GLN HA H 4.171 0.000 1 960 . 110 GLN C C 173.694 0.000 1 961 . 110 GLN CA C 56.327 0.000 1 962 . 110 GLN N N 119.982 0.000 1 963 . 111 ARG H H 7.872 0.000 1 964 . 111 ARG HA H 4.250 0.003 1 965 . 111 ARG HB2 H 1.788 0.000 1 966 . 111 ARG HB3 H 1.788 0.000 1 967 . 111 ARG HG2 H 1.587 0.000 1 968 . 111 ARG HG3 H 1.587 0.000 1 969 . 111 ARG HD2 H 3.169 0.007 1 970 . 111 ARG HD3 H 3.169 0.007 1 971 . 111 ARG HE H 7.050 0.001 1 972 . 111 ARG CA C 57.081 0.000 1 973 . 111 ARG CB C 31.004 0.000 1 974 . 111 ARG CG C 27.489 0.000 1 975 . 111 ARG CD C 43.710 0.000 1 976 . 111 ARG N N 122.771 0.000 1 977 . 111 ARG NE N 111.331 0.000 1 978 . 112 ASN H H 8.428 0.001 1 979 . 112 ASN HA H 4.660 0.000 1 980 . 112 ASN HB2 H 2.804 0.000 1 981 . 112 ASN HB3 H 2.804 0.000 1 982 . 112 ASN C C 175.167 0.000 1 983 . 112 ASN CA C 53.781 0.000 1 984 . 112 ASN CB C 38.757 0.000 1 985 . 112 ASN N N 119.605 0.000 1 986 . 113 ARG HA H 4.416 0.047 1 987 . 113 ARG HB2 H 1.488 0.000 1 988 . 113 ARG HB3 H 1.488 0.000 1 989 . 113 ARG HG2 H 0.793 0.000 2 990 . 113 ARG HG3 H 0.637 0.000 2 991 . 113 ARG HD2 H 1.487 0.000 2 992 . 113 ARG HD3 H 1.421 0.000 2 993 . 113 ARG C C 176.394 0.000 1 994 . 113 ARG CA C 53.197 0.000 1 995 . 113 ARG CB C 27.300 0.000 1 996 . 113 ARG CG C 23.416 0.000 1 997 . 113 ARG CD C 41.867 0.000 1 998 . 114 GLU H H 8.326 0.000 1 999 . 114 GLU N N 121.892 0.000 1 1000 . 115 LYS HA H 4.332 0.006 1 1001 . 115 LYS HB2 H 1.836 0.000 2 1002 . 115 LYS HB3 H 1.744 0.000 2 1003 . 115 LYS HG2 H 1.428 0.001 2 1004 . 115 LYS HG3 H 1.374 0.000 2 1005 . 115 LYS HD2 H 1.648 0.025 1 1006 . 115 LYS HD3 H 1.648 0.025 1 1007 . 115 LYS HE2 H 2.966 0.000 1 1008 . 115 LYS HE3 H 2.966 0.000 1 1009 . 115 LYS C C 176.927 0.000 1 1010 . 115 LYS CA C 56.726 0.031 1 1011 . 115 LYS CB C 33.177 0.044 1 1012 . 115 LYS CG C 25.035 0.000 1 1013 . 115 LYS CD C 29.243 0.000 1 1014 . 115 LYS CE C 41.867 0.000 1 1015 . 116 THR H H 8.115 0.000 1 1016 . 116 THR HA H 4.313 0.000 1 1017 . 116 THR HB H 4.217 0.000 1 1018 . 116 THR HG2 H 1.160 0.000 1 1019 . 116 THR C C 175.344 0.000 1 1020 . 116 THR CA C 62.282 0.000 1 1021 . 116 THR CB C 70.323 0.000 1 1022 . 116 THR CG2 C 21.523 0.000 1 1023 . 116 THR N N 114.883 0.000 1 1024 . 117 GLY H H 8.398 0.001 1 1025 . 117 GLY HA2 H 3.949 0.000 2 1026 . 117 GLY HA3 H 3.776 0.000 2 1027 . 117 GLY C C 174.334 0.000 1 1028 . 117 GLY CA C 45.678 0.000 1 1029 . 117 GLY N N 111.190 0.000 1 1030 . 118 GLU H H 8.220 0.001 1 1031 . 118 GLU HA H 4.280 0.000 1 1032 . 118 GLU HB2 H 2.039 0.000 2 1033 . 118 GLU HB3 H 1.901 0.000 2 1034 . 118 GLU HG2 H 2.269 0.000 2 1035 . 118 GLU HG3 H 2.233 0.000 2 1036 . 118 GLU C C 176.533 0.000 1 1037 . 118 GLU CA C 56.671 0.000 1 1038 . 118 GLU CB C 30.939 0.000 1 1039 . 118 GLU CG C 36.040 0.000 1 1040 . 118 GLU N N 120.455 0.000 1 1041 . 119 SER H H 8.350 0.001 1 1042 . 119 SER HA H 4.415 0.000 1 1043 . 119 SER HB2 H 3.830 0.000 1 1044 . 119 SER HB3 H 3.830 0.000 1 1045 . 119 SER CA C 58.563 0.000 1 1046 . 119 SER CB C 64.594 0.000 1 1047 . 119 SER N N 117.031 0.000 1 stop_ save_