data_16478 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of UBA domain of XIAP ; _BMRB_accession_number 16478 _BMRB_flat_file_name bmr16478.str _Entry_type original _Submission_date 2009-09-04 _Accession_date 2009-09-04 _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 Hui Sin-Kam . . 2 Tse Man-Kit . . 3 Sze Kong-Hung . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 638 "13C chemical shifts" 445 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-05 original author . stop_ _Original_release_date 2010-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain 1H, 13C and 15N assignments of the ubiquitin-associated domain of human X-linked inhibitor of apoptosis protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19916060 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hui Sin-Kam . . 2 Tse Man-Kit . . 3 Yang Yinhua . . 4 Wong 'Benjamin Chun-Yu' . . 5 Sze Kong-Hung . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13 _Page_last 15 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UBA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBA $UBA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBA _Molecular_mass 11873.473 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSAMADIGSEFEKTPSLTRR IDDTIFQNPMVQEAIRMGFS FKDIKKIMEEKIQISGSNYK SLEVLVADLVNAQKDSMQDE SSQTSLQKEISTEEQLRRLQ EEKL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 MET 5 ALA 6 ASP 7 ILE 8 GLY 9 SER 10 GLU 11 PHE 12 GLU 13 LYS 14 THR 15 PRO 16 SER 17 LEU 18 THR 19 ARG 20 ARG 21 ILE 22 ASP 23 ASP 24 THR 25 ILE 26 PHE 27 GLN 28 ASN 29 PRO 30 MET 31 VAL 32 GLN 33 GLU 34 ALA 35 ILE 36 ARG 37 MET 38 GLY 39 PHE 40 SER 41 PHE 42 LYS 43 ASP 44 ILE 45 LYS 46 LYS 47 ILE 48 MET 49 GLU 50 GLU 51 LYS 52 ILE 53 GLN 54 ILE 55 SER 56 GLY 57 SER 58 ASN 59 TYR 60 LYS 61 SER 62 LEU 63 GLU 64 VAL 65 LEU 66 VAL 67 ALA 68 ASP 69 LEU 70 VAL 71 ASN 72 ALA 73 GLN 74 LYS 75 ASP 76 SER 77 MET 78 GLN 79 ASP 80 GLU 81 SER 82 SER 83 GLN 84 THR 85 SER 86 LEU 87 GLN 88 LYS 89 GLU 90 ILE 91 SER 92 THR 93 GLU 94 GLU 95 GLN 96 LEU 97 ARG 98 ARG 99 LEU 100 GLN 101 GLU 102 GLU 103 LYS 104 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2KNA "Solution Structure Of Uba Domain Of Xiap" 100.00 104 100.00 100.00 1.34e-66 DBJ BAG36609 "unnamed protein product [Homo sapiens]" 89.42 497 98.92 98.92 3.61e-52 DBJ BAI46620 "X-linked inhibitor of apoptosis [synthetic construct]" 89.42 497 100.00 100.00 5.33e-53 GB AAC50373 "X-linked inhibitor of apotosis protein [Homo sapiens]" 89.42 497 100.00 100.00 3.55e-53 GB AAC50518 "IAP-like protein ILP [Homo sapiens]" 89.42 497 98.92 98.92 3.77e-52 GB AAH32729 "X-linked inhibitor of apoptosis [Homo sapiens]" 89.42 497 100.00 100.00 5.33e-53 GB AAW62257 "baculoviral IAP repeat-containing 4 [Homo sapiens]" 89.42 497 100.00 100.00 5.33e-53 GB AAX29953 "baculoviral IAP repeat-containing 4 [synthetic construct]" 89.42 498 100.00 100.00 5.25e-53 REF NP_001158 "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" 89.42 497 100.00 100.00 5.33e-53 REF NP_001191330 "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" 89.42 497 100.00 100.00 5.33e-53 REF XP_001086574 "PREDICTED: baculoviral IAP repeat-containing protein 4-like [Macaca mulatta]" 89.42 194 98.92 98.92 2.12e-56 REF XP_003262340 "PREDICTED: E3 ubiquitin-protein ligase XIAP [Nomascus leucogenys]" 89.42 497 98.92 98.92 1.37e-52 REF XP_003779771 "PREDICTED: E3 ubiquitin-protein ligase XIAP isoform X1 [Pongo abelii]" 89.42 513 97.85 98.92 1.90e-51 SP P98170 "RecName: Full=E3 ubiquitin-protein ligase XIAP; AltName: Full=Baculoviral IAP repeat-containing protein 4; AltName: Full=IAP-li" 89.42 497 100.00 100.00 5.33e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBA 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 $UBA 'recombinant technology' . Escherichia coli . pET-32a 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 Bis-TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' PMSF 1 mM 'natural abundance' $UBA 0.5 mM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.872 0.001 2 2 1 1 GLY HA3 H 3.872 0.001 2 3 1 1 GLY CA C 43.237 0.052 1 4 2 2 SER HA H 4.481 0.030 1 5 2 2 SER HB2 H 3.861 0.030 2 6 2 2 SER HB3 H 3.861 0.030 2 7 2 2 SER C C 174.254 0.044 1 8 2 2 SER CA C 58.264 0.300 1 9 2 2 SER CB C 64.047 0.300 1 10 3 3 ALA H H 8.554 0.002 1 11 3 3 ALA HA H 4.334 0.001 1 12 3 3 ALA HB H 1.388 0.030 1 13 3 3 ALA C C 177.843 0.030 1 14 3 3 ALA CA C 52.687 0.008 1 15 3 3 ALA CB C 19.166 0.001 1 16 3 3 ALA N N 126.285 0.024 1 17 4 4 MET H H 8.345 0.002 1 18 4 4 MET HA H 4.404 0.004 1 19 4 4 MET HB2 H 1.998 0.018 2 20 4 4 MET HB3 H 1.998 0.018 2 21 4 4 MET HE H 1.896 0.030 1 22 4 4 MET HG2 H 2.564 0.030 2 23 4 4 MET HG3 H 2.564 0.030 2 24 4 4 MET C C 176.061 0.031 1 25 4 4 MET CA C 55.607 0.004 1 26 4 4 MET CB C 32.915 0.002 1 27 4 4 MET CE C 17.451 0.300 1 28 4 4 MET CG C 32.061 0.001 1 29 4 4 MET N N 119.525 0.008 1 30 5 5 ALA H H 8.232 0.001 1 31 5 5 ALA HA H 4.269 0.001 1 32 5 5 ALA HB H 1.355 0.002 1 33 5 5 ALA C C 177.348 0.013 1 34 5 5 ALA CA C 52.575 0.001 1 35 5 5 ALA CB C 19.376 0.001 1 36 5 5 ALA N N 124.660 0.028 1 37 6 6 ASP H H 8.277 0.002 1 38 6 6 ASP HA H 4.578 0.001 1 39 6 6 ASP HB2 H 2.578 0.030 2 40 6 6 ASP HB3 H 2.674 0.030 2 41 6 6 ASP C C 176.427 0.044 1 42 6 6 ASP CA C 54.282 0.016 1 43 6 6 ASP CB C 41.124 0.059 1 44 6 6 ASP N N 119.734 0.025 1 45 7 7 ILE H H 8.061 0.001 1 46 7 7 ILE HA H 4.168 0.003 1 47 7 7 ILE HB H 1.887 0.005 1 48 7 7 ILE HD1 H 0.840 0.007 1 49 7 7 ILE HG12 H 1.471 0.003 2 50 7 7 ILE HG13 H 1.200 0.003 2 51 7 7 ILE HG2 H 0.914 0.004 1 52 7 7 ILE C C 176.972 0.020 1 53 7 7 ILE CA C 61.663 0.044 1 54 7 7 ILE CB C 38.751 0.044 1 55 7 7 ILE CD1 C 13.133 0.021 1 56 7 7 ILE CG1 C 27.332 0.060 1 57 7 7 ILE CG2 C 17.564 0.030 1 58 7 7 ILE N N 120.697 0.023 1 59 8 8 GLY H H 8.544 0.002 1 60 8 8 GLY HA2 H 3.961 0.030 2 61 8 8 GLY HA3 H 4.024 0.030 2 62 8 8 GLY C C 174.515 0.032 1 63 8 8 GLY CA C 45.317 0.010 1 64 8 8 GLY N N 112.517 0.008 1 65 9 9 SER H H 8.196 0.003 1 66 9 9 SER HA H 4.437 0.030 1 67 9 9 SER HB2 H 3.872 0.030 2 68 9 9 SER HB3 H 3.872 0.030 2 69 9 9 SER C C 175.003 0.035 1 70 9 9 SER CA C 58.676 0.300 1 71 9 9 SER CB C 63.925 0.300 1 72 9 9 SER N N 115.781 0.041 1 73 10 10 GLU H H 8.657 0.004 1 74 10 10 GLU HA H 4.171 0.003 1 75 10 10 GLU HB2 H 1.820 0.001 2 76 10 10 GLU HB3 H 1.868 0.003 2 77 10 10 GLU HG2 H 1.991 0.004 2 78 10 10 GLU HG3 H 2.086 0.003 2 79 10 10 GLU C C 176.495 0.045 1 80 10 10 GLU CA C 57.211 0.019 1 81 10 10 GLU CB C 29.788 0.013 1 82 10 10 GLU CG C 36.104 0.027 1 83 10 10 GLU N N 122.597 0.036 1 84 11 11 PHE H H 8.052 0.001 1 85 11 11 PHE HA H 4.578 0.003 1 86 11 11 PHE HB2 H 2.968 0.001 2 87 11 11 PHE HB3 H 3.180 0.001 2 88 11 11 PHE HD1 H 7.236 0.002 3 89 11 11 PHE HD2 H 7.237 0.030 3 90 11 11 PHE HE1 H 7.338 0.030 3 91 11 11 PHE HE2 H 7.338 0.030 3 92 11 11 PHE HZ H 7.312 0.030 1 93 11 11 PHE C C 175.861 0.021 1 94 11 11 PHE CA C 57.943 0.021 1 95 11 11 PHE CB C 39.479 0.050 1 96 11 11 PHE N N 119.723 0.010 1 97 12 12 GLU H H 8.133 0.001 1 98 12 12 GLU HA H 4.217 0.006 1 99 12 12 GLU HB2 H 1.978 0.004 2 100 12 12 GLU HB3 H 1.978 0.004 2 101 12 12 GLU HG2 H 2.200 0.004 2 102 12 12 GLU HG3 H 2.200 0.004 2 103 12 12 GLU C C 176.215 0.039 1 104 12 12 GLU CA C 56.636 0.004 1 105 12 12 GLU CB C 30.277 0.039 1 106 12 12 GLU CG C 36.446 0.067 1 107 12 12 GLU N N 121.572 0.021 1 108 13 13 LYS H H 8.254 0.006 1 109 13 13 LYS HA H 4.328 0.001 1 110 13 13 LYS HB2 H 1.754 0.002 2 111 13 13 LYS HB3 H 1.843 0.030 2 112 13 13 LYS HD2 H 1.670 0.001 2 113 13 13 LYS HD3 H 1.670 0.001 2 114 13 13 LYS HE2 H 2.977 0.002 2 115 13 13 LYS HE3 H 2.977 0.002 2 116 13 13 LYS HG2 H 1.431 0.002 2 117 13 13 LYS HG3 H 1.431 0.002 2 118 13 13 LYS C C 176.607 0.034 1 119 13 13 LYS CA C 56.422 0.300 1 120 13 13 LYS CB C 33.063 0.029 1 121 13 13 LYS CD C 28.867 0.001 1 122 13 13 LYS CE C 42.062 0.013 1 123 13 13 LYS CG C 24.763 0.001 1 124 13 13 LYS N N 122.141 0.038 1 125 14 14 THR H H 8.144 0.002 1 126 14 14 THR HA H 4.567 0.001 1 127 14 14 THR HB H 4.152 0.003 1 128 14 14 THR HG2 H 1.225 0.004 1 129 14 14 THR C C 172.901 0.300 1 130 14 14 THR CA C 59.866 0.063 1 131 14 14 THR CB C 69.609 0.056 1 132 14 14 THR CG2 C 21.534 0.027 1 133 14 14 THR N N 117.273 0.012 1 134 15 15 PRO HA H 4.413 0.002 1 135 15 15 PRO HB2 H 1.899 0.003 2 136 15 15 PRO HB3 H 2.291 0.003 2 137 15 15 PRO HD2 H 3.703 0.005 2 138 15 15 PRO HD3 H 3.818 0.004 2 139 15 15 PRO HG2 H 1.977 0.001 2 140 15 15 PRO HG3 H 2.025 0.003 2 141 15 15 PRO C C 177.084 0.019 1 142 15 15 PRO CA C 63.575 0.015 1 143 15 15 PRO CB C 32.171 0.046 1 144 15 15 PRO CD C 51.186 0.013 1 145 15 15 PRO CG C 27.523 0.019 1 146 16 16 SER H H 8.405 0.002 1 147 16 16 SER HA H 4.380 0.030 1 148 16 16 SER HB2 H 3.862 0.030 2 149 16 16 SER HB3 H 3.862 0.030 2 150 16 16 SER C C 174.973 0.018 1 151 16 16 SER CA C 58.517 0.300 1 152 16 16 SER CB C 63.693 0.300 1 153 16 16 SER N N 116.009 0.003 1 154 17 17 LEU H H 8.352 0.002 1 155 17 17 LEU HA H 4.378 0.001 1 156 17 17 LEU HB2 H 1.640 0.030 2 157 17 17 LEU HB3 H 1.640 0.030 2 158 17 17 LEU HD1 H 0.860 0.001 2 159 17 17 LEU HD2 H 0.913 0.003 2 160 17 17 LEU HG H 1.625 0.003 1 161 17 17 LEU C C 177.627 0.030 1 162 17 17 LEU CA C 55.675 0.300 1 163 17 17 LEU CB C 42.334 0.010 1 164 17 17 LEU CD1 C 23.622 0.002 2 165 17 17 LEU CD2 C 24.934 0.023 2 166 17 17 LEU CG C 27.145 0.002 1 167 17 17 LEU N N 124.278 0.018 1 168 18 18 THR H H 8.088 0.001 1 169 18 18 THR HA H 4.260 0.001 1 170 18 18 THR HB H 4.236 0.030 1 171 18 18 THR HG2 H 1.169 0.002 1 172 18 18 THR C C 174.451 0.029 1 173 18 18 THR CA C 62.208 0.008 1 174 18 18 THR CB C 69.586 0.300 1 175 18 18 THR CG2 C 21.663 0.003 1 176 18 18 THR N N 114.571 0.014 1 177 19 19 ARG H H 8.230 0.004 1 178 19 19 ARG HA H 4.310 0.030 1 179 19 19 ARG HB2 H 1.860 0.003 2 180 19 19 ARG HB3 H 1.860 0.003 2 181 19 19 ARG HD2 H 3.178 0.003 2 182 19 19 ARG HD3 H 3.178 0.003 2 183 19 19 ARG HG2 H 1.658 0.030 2 184 19 19 ARG HG3 H 1.658 0.030 2 185 19 19 ARG C C 175.937 0.034 1 186 19 19 ARG CA C 56.167 0.300 1 187 19 19 ARG CB C 30.879 0.014 1 188 19 19 ARG CD C 43.261 0.300 1 189 19 19 ARG CG C 27.188 0.300 1 190 19 19 ARG N N 123.493 0.065 1 191 20 20 ARG H H 8.398 0.003 1 192 20 20 ARG HA H 4.299 0.030 1 193 20 20 ARG HB2 H 1.747 0.030 2 194 20 20 ARG HB3 H 1.842 0.030 2 195 20 20 ARG HD2 H 3.169 0.030 2 196 20 20 ARG HD3 H 3.169 0.030 2 197 20 20 ARG HG2 H 1.641 0.030 2 198 20 20 ARG HG3 H 1.641 0.030 2 199 20 20 ARG C C 176.666 0.021 1 200 20 20 ARG CA C 56.161 0.300 1 201 20 20 ARG CB C 30.829 0.006 1 202 20 20 ARG CD C 43.300 0.300 1 203 20 20 ARG CG C 27.226 0.300 1 204 20 20 ARG N N 122.375 0.010 1 205 21 21 ILE H H 8.435 0.002 1 206 21 21 ILE HA H 4.132 0.002 1 207 21 21 ILE HB H 1.883 0.002 1 208 21 21 ILE HD1 H 0.811 0.030 1 209 21 21 ILE HG12 H 1.216 0.001 2 210 21 21 ILE HG13 H 1.419 0.002 2 211 21 21 ILE HG2 H 0.882 0.001 1 212 21 21 ILE C C 175.745 0.013 1 213 21 21 ILE CA C 61.174 0.022 1 214 21 21 ILE CB C 38.374 0.300 1 215 21 21 ILE CD1 C 13.129 0.002 1 216 21 21 ILE CG1 C 27.475 0.003 1 217 21 21 ILE CG2 C 17.812 0.026 1 218 21 21 ILE N N 122.163 0.018 1 219 22 22 ASP H H 8.274 0.001 1 220 22 22 ASP HA H 4.630 0.030 1 221 22 22 ASP HB2 H 2.708 0.030 2 222 22 22 ASP HB3 H 2.708 0.030 2 223 22 22 ASP C C 176.549 0.045 1 224 22 22 ASP CA C 54.414 0.300 1 225 22 22 ASP CB C 41.376 0.300 1 226 22 22 ASP N N 123.882 0.013 1 227 23 23 ASP H H 8.288 0.004 1 228 23 23 ASP HA H 4.650 0.030 1 229 23 23 ASP HB2 H 2.744 0.030 2 230 23 23 ASP HB3 H 2.744 0.030 2 231 23 23 ASP C C 178.011 0.031 1 232 23 23 ASP CA C 56.197 0.300 1 233 23 23 ASP CB C 41.048 0.300 1 234 23 23 ASP N N 119.593 0.026 1 235 24 24 THR H H 8.386 0.002 1 236 24 24 THR HA H 4.259 0.004 1 237 24 24 THR HB H 4.361 0.002 1 238 24 24 THR HG2 H 1.296 0.001 1 239 24 24 THR C C 176.905 0.023 1 240 24 24 THR CA C 64.275 0.008 1 241 24 24 THR CB C 69.358 0.019 1 242 24 24 THR CG2 C 21.816 0.036 1 243 24 24 THR N N 113.560 0.005 1 244 25 25 ILE H H 8.008 0.001 1 245 25 25 ILE HA H 4.170 0.002 1 246 25 25 ILE HB H 2.090 0.004 1 247 25 25 ILE HD1 H 0.875 0.001 1 248 25 25 ILE HG12 H 1.348 0.005 2 249 25 25 ILE HG13 H 1.553 0.008 2 250 25 25 ILE HG2 H 0.949 0.001 1 251 25 25 ILE C C 176.546 0.039 1 252 25 25 ILE CA C 63.173 0.035 1 253 25 25 ILE CB C 38.380 0.022 1 254 25 25 ILE CD1 C 13.750 0.038 1 255 25 25 ILE CG1 C 28.787 0.013 1 256 25 25 ILE CG2 C 18.059 0.009 1 257 25 25 ILE N N 121.784 0.035 1 258 26 26 PHE H H 7.948 0.001 1 259 26 26 PHE HA H 4.090 0.001 1 260 26 26 PHE HB2 H 2.931 0.030 2 261 26 26 PHE HB3 H 3.019 0.030 2 262 26 26 PHE HD1 H 6.787 0.004 3 263 26 26 PHE HD2 H 6.783 0.030 3 264 26 26 PHE HE1 H 7.116 0.010 3 265 26 26 PHE HE2 H 7.112 0.013 3 266 26 26 PHE HZ H 6.806 0.030 1 267 26 26 PHE C C 175.601 0.021 1 268 26 26 PHE CA C 60.841 0.013 1 269 26 26 PHE CB C 39.272 0.051 1 270 26 26 PHE N N 119.214 0.026 1 271 27 27 GLN H H 7.635 0.001 1 272 27 27 GLN HA H 4.122 0.002 1 273 27 27 GLN HB2 H 1.998 0.003 2 274 27 27 GLN HB3 H 2.268 0.005 2 275 27 27 GLN HE21 H 6.861 0.030 2 276 27 27 GLN HE22 H 7.548 0.030 2 277 27 27 GLN HG2 H 2.418 0.004 2 278 27 27 GLN HG3 H 2.418 0.004 2 279 27 27 GLN C C 175.760 0.027 1 280 27 27 GLN CA C 55.572 0.015 1 281 27 27 GLN CB C 28.568 0.001 1 282 27 27 GLN CG C 34.023 0.002 1 283 27 27 GLN N N 112.895 0.007 1 284 27 27 GLN NE2 N 111.775 0.011 1 285 28 28 ASN H H 7.687 0.002 1 286 28 28 ASN HA H 4.825 0.002 1 287 28 28 ASN HB2 H 2.954 0.030 2 288 28 28 ASN HB3 H 3.057 0.030 2 289 28 28 ASN HD21 H 7.931 0.001 2 290 28 28 ASN HD22 H 7.222 0.001 2 291 28 28 ASN C C 174.905 0.300 1 292 28 28 ASN CA C 51.752 0.009 1 293 28 28 ASN CB C 39.605 0.002 1 294 28 28 ASN N N 122.169 0.027 1 295 28 28 ASN ND2 N 113.461 0.003 1 296 29 29 PRO HA H 4.229 0.002 1 297 29 29 PRO HB2 H 2.018 0.030 2 298 29 29 PRO HB3 H 2.409 0.002 2 299 29 29 PRO HD2 H 3.813 0.003 2 300 29 29 PRO HD3 H 4.059 0.004 2 301 29 29 PRO HG2 H 2.076 0.030 2 302 29 29 PRO HG3 H 2.108 0.030 2 303 29 29 PRO C C 178.757 0.006 1 304 29 29 PRO CA C 65.477 0.040 1 305 29 29 PRO CB C 32.467 0.300 1 306 29 29 PRO CD C 51.328 0.024 1 307 29 29 PRO CG C 27.646 0.015 1 308 30 30 MET H H 8.260 0.002 1 309 30 30 MET HA H 4.110 0.003 1 310 30 30 MET HB2 H 1.831 0.006 2 311 30 30 MET HB3 H 2.110 0.005 2 312 30 30 MET HE H 1.839 0.030 1 313 30 30 MET HG2 H 2.256 0.005 2 314 30 30 MET HG3 H 2.423 0.002 2 315 30 30 MET C C 177.889 0.042 1 316 30 30 MET CA C 59.056 0.032 1 317 30 30 MET CB C 33.762 0.042 1 318 30 30 MET CE C 16.543 0.300 1 319 30 30 MET CG C 31.856 0.034 1 320 30 30 MET N N 117.515 0.033 1 321 31 31 VAL H H 7.333 0.002 1 322 31 31 VAL HA H 3.351 0.001 1 323 31 31 VAL HB H 2.495 0.004 1 324 31 31 VAL HG1 H 1.018 0.002 2 325 31 31 VAL HG2 H 1.049 0.001 2 326 31 31 VAL C C 177.650 0.031 1 327 31 31 VAL CA C 66.732 0.014 1 328 31 31 VAL CB C 31.368 0.009 1 329 31 31 VAL CG1 C 21.534 0.039 2 330 31 31 VAL CG2 C 23.844 0.009 2 331 31 31 VAL N N 118.811 0.036 1 332 32 32 GLN H H 7.675 0.002 1 333 32 32 GLN HA H 3.662 0.004 1 334 32 32 GLN HB2 H 2.009 0.004 2 335 32 32 GLN HB3 H 2.009 0.004 2 336 32 32 GLN HE21 H 5.792 0.030 2 337 32 32 GLN HE22 H 7.412 0.030 2 338 32 32 GLN HG2 H 2.130 0.030 2 339 32 32 GLN HG3 H 2.279 0.007 2 340 32 32 GLN C C 178.943 0.026 1 341 32 32 GLN CA C 58.787 0.062 1 342 32 32 GLN CB C 27.986 0.001 1 343 32 32 GLN CG C 33.346 0.003 1 344 32 32 GLN N N 115.563 0.005 1 345 32 32 GLN NE2 N 112.687 0.024 1 346 33 33 GLU H H 7.884 0.003 1 347 33 33 GLU HA H 4.109 0.002 1 348 33 33 GLU HB2 H 1.985 0.030 2 349 33 33 GLU HB3 H 1.985 0.030 2 350 33 33 GLU HG2 H 2.327 0.030 2 351 33 33 GLU HG3 H 2.327 0.030 2 352 33 33 GLU C C 178.302 0.045 1 353 33 33 GLU CA C 59.127 0.300 1 354 33 33 GLU CB C 29.517 0.300 1 355 33 33 GLU CG C 36.247 0.005 1 356 33 33 GLU N N 119.201 0.021 1 357 34 34 ALA H H 7.987 0.001 1 358 34 34 ALA HA H 4.222 0.001 1 359 34 34 ALA HB H 1.304 0.030 1 360 34 34 ALA C C 179.998 0.027 1 361 34 34 ALA CA C 55.510 0.300 1 362 34 34 ALA CB C 17.145 0.001 1 363 34 34 ALA N N 122.261 0.012 1 364 35 35 ILE H H 8.444 0.002 1 365 35 35 ILE HA H 4.533 0.002 1 366 35 35 ILE HB H 1.914 0.002 1 367 35 35 ILE HD1 H 0.877 0.001 1 368 35 35 ILE HG12 H 1.827 0.006 2 369 35 35 ILE HG13 H 1.827 0.006 2 370 35 35 ILE HG2 H 0.977 0.004 1 371 35 35 ILE C C 181.651 0.034 1 372 35 35 ILE CA C 64.325 0.020 1 373 35 35 ILE CB C 38.136 0.023 1 374 35 35 ILE CD1 C 14.596 0.040 1 375 35 35 ILE CG1 C 29.156 0.017 1 376 35 35 ILE CG2 C 16.915 0.022 1 377 35 35 ILE N N 120.796 0.021 1 378 36 36 ARG H H 8.046 0.002 1 379 36 36 ARG HA H 4.021 0.001 1 380 36 36 ARG HB2 H 2.012 0.003 2 381 36 36 ARG HB3 H 2.012 0.003 2 382 36 36 ARG HD2 H 3.223 0.002 2 383 36 36 ARG HD3 H 3.223 0.002 2 384 36 36 ARG HE H 7.553 0.030 1 385 36 36 ARG HG2 H 1.832 0.030 2 386 36 36 ARG HG3 H 1.832 0.030 2 387 36 36 ARG C C 178.499 0.024 1 388 36 36 ARG CA C 59.684 0.001 1 389 36 36 ARG CB C 29.973 0.300 1 390 36 36 ARG CD C 43.395 0.004 1 391 36 36 ARG CG C 27.994 0.033 1 392 36 36 ARG N N 123.384 0.005 1 393 36 36 ARG NE N 83.917 0.300 1 394 37 37 MET H H 7.761 0.002 1 395 37 37 MET HA H 4.201 0.001 1 396 37 37 MET HB2 H 2.402 0.005 2 397 37 37 MET HB3 H 2.402 0.005 2 398 37 37 MET HE H 2.185 0.030 1 399 37 37 MET HG2 H 2.596 0.006 2 400 37 37 MET HG3 H 2.939 0.005 2 401 37 37 MET C C 175.920 0.024 1 402 37 37 MET CA C 57.106 0.007 1 403 37 37 MET CB C 34.018 0.300 1 404 37 37 MET CE C 17.435 0.300 1 405 37 37 MET CG C 32.787 0.059 1 406 37 37 MET N N 116.255 0.037 1 407 38 38 GLY H H 7.941 0.001 1 408 38 38 GLY HA2 H 3.587 0.001 2 409 38 38 GLY HA3 H 4.166 0.001 2 410 38 38 GLY C C 174.433 0.036 1 411 38 38 GLY CA C 44.704 0.067 1 412 38 38 GLY N N 105.619 0.009 1 413 39 39 PHE H H 7.630 0.002 1 414 39 39 PHE HA H 4.603 0.030 1 415 39 39 PHE HB2 H 2.567 0.005 2 416 39 39 PHE HB3 H 2.997 0.030 2 417 39 39 PHE HD1 H 7.470 0.016 3 418 39 39 PHE HD2 H 7.478 0.007 3 419 39 39 PHE HE1 H 7.191 0.013 3 420 39 39 PHE HE2 H 7.193 0.014 3 421 39 39 PHE HZ H 6.777 0.030 1 422 39 39 PHE C C 174.928 0.030 1 423 39 39 PHE CA C 58.403 0.002 1 424 39 39 PHE CB C 39.448 0.022 1 425 39 39 PHE N N 120.168 0.007 1 426 40 40 SER H H 9.447 0.001 1 427 40 40 SER HA H 4.618 0.004 1 428 40 40 SER HB2 H 4.075 0.030 2 429 40 40 SER HB3 H 4.201 0.001 2 430 40 40 SER C C 175.969 0.027 1 431 40 40 SER CA C 57.227 0.039 1 432 40 40 SER CB C 64.673 0.059 1 433 40 40 SER N N 117.395 0.006 1 434 41 41 PHE H H 9.538 0.001 1 435 41 41 PHE HA H 4.225 0.002 1 436 41 41 PHE HB2 H 3.081 0.006 2 437 41 41 PHE HB3 H 3.378 0.003 2 438 41 41 PHE HD1 H 7.162 0.030 3 439 41 41 PHE HD2 H 7.162 0.030 3 440 41 41 PHE HE1 H 7.173 0.030 3 441 41 41 PHE HE2 H 7.210 0.006 3 442 41 41 PHE HZ H 6.770 0.030 1 443 41 41 PHE C C 176.242 0.037 1 444 41 41 PHE CA C 61.639 0.005 1 445 41 41 PHE CB C 38.826 0.044 1 446 41 41 PHE N N 125.530 0.014 1 447 42 42 LYS H H 8.529 0.001 1 448 42 42 LYS HA H 3.677 0.001 1 449 42 42 LYS HB2 H 1.748 0.030 2 450 42 42 LYS HB3 H 1.849 0.030 2 451 42 42 LYS HD2 H 1.686 0.002 2 452 42 42 LYS HD3 H 1.686 0.002 2 453 42 42 LYS HE2 H 3.011 0.001 2 454 42 42 LYS HE3 H 3.011 0.001 2 455 42 42 LYS HG2 H 1.374 0.001 2 456 42 42 LYS HG3 H 1.492 0.004 2 457 42 42 LYS C C 178.748 0.019 1 458 42 42 LYS CA C 59.808 0.007 1 459 42 42 LYS CB C 32.065 0.010 1 460 42 42 LYS CD C 29.383 0.003 1 461 42 42 LYS CE C 41.898 0.300 1 462 42 42 LYS CG C 24.629 0.014 1 463 42 42 LYS N N 116.407 0.040 1 464 43 43 ASP H H 7.349 0.003 1 465 43 43 ASP HA H 4.439 0.009 1 466 43 43 ASP HB2 H 2.562 0.001 2 467 43 43 ASP HB3 H 2.864 0.008 2 468 43 43 ASP C C 178.109 0.024 1 469 43 43 ASP CA C 57.215 0.017 1 470 43 43 ASP CB C 40.360 0.022 1 471 43 43 ASP N N 119.908 0.035 1 472 44 44 ILE H H 8.052 0.001 1 473 44 44 ILE HA H 3.439 0.002 1 474 44 44 ILE HB H 1.712 0.002 1 475 44 44 ILE HD1 H 0.829 0.006 1 476 44 44 ILE HG12 H 0.596 0.007 2 477 44 44 ILE HG13 H 1.777 0.009 2 478 44 44 ILE HG2 H 0.945 0.002 1 479 44 44 ILE C C 176.856 0.037 1 480 44 44 ILE CA C 65.221 0.004 1 481 44 44 ILE CB C 39.178 0.044 1 482 44 44 ILE CD1 C 17.244 0.023 1 483 44 44 ILE CG1 C 29.275 0.045 1 484 44 44 ILE CG2 C 18.930 0.005 1 485 44 44 ILE N N 121.653 0.013 1 486 45 45 LYS H H 8.540 0.002 1 487 45 45 LYS HA H 3.530 0.002 1 488 45 45 LYS HB2 H 0.992 0.006 2 489 45 45 LYS HB3 H 1.369 0.005 2 490 45 45 LYS HD2 H 1.434 0.008 2 491 45 45 LYS HD3 H 1.434 0.008 2 492 45 45 LYS HE2 H 2.697 0.004 2 493 45 45 LYS HE3 H 2.824 0.003 2 494 45 45 LYS HG2 H 1.013 0.030 2 495 45 45 LYS HG3 H 1.095 0.002 2 496 45 45 LYS C C 177.658 0.029 1 497 45 45 LYS CA C 60.286 0.032 1 498 45 45 LYS CB C 32.191 0.044 1 499 45 45 LYS CD C 29.806 0.033 1 500 45 45 LYS CE C 41.765 0.013 1 501 45 45 LYS CG C 25.031 0.021 1 502 45 45 LYS N N 118.535 0.009 1 503 46 46 LYS H H 7.218 0.003 1 504 46 46 LYS HA H 4.081 0.004 1 505 46 46 LYS HB2 H 1.899 0.004 2 506 46 46 LYS HB3 H 1.899 0.004 2 507 46 46 LYS HD2 H 1.709 0.030 2 508 46 46 LYS HD3 H 1.709 0.030 2 509 46 46 LYS HE2 H 2.971 0.001 2 510 46 46 LYS HE3 H 2.971 0.001 2 511 46 46 LYS HG2 H 1.378 0.001 2 512 46 46 LYS HG3 H 1.462 0.030 2 513 46 46 LYS C C 178.762 0.017 1 514 46 46 LYS CA C 59.357 0.027 1 515 46 46 LYS CB C 32.823 0.001 1 516 46 46 LYS CD C 29.473 0.300 1 517 46 46 LYS CE C 41.977 0.300 1 518 46 46 LYS CG C 24.610 0.300 1 519 46 46 LYS N N 116.610 0.008 1 520 47 47 ILE H H 7.768 0.002 1 521 47 47 ILE HA H 4.190 0.002 1 522 47 47 ILE HB H 1.885 0.001 1 523 47 47 ILE HD1 H 0.752 0.003 1 524 47 47 ILE HG12 H 1.584 0.004 2 525 47 47 ILE HG13 H 1.584 0.004 2 526 47 47 ILE HG2 H 1.027 0.001 1 527 47 47 ILE C C 178.997 0.042 1 528 47 47 ILE CA C 64.327 0.017 1 529 47 47 ILE CB C 38.284 0.054 1 530 47 47 ILE CD1 C 14.394 0.019 1 531 47 47 ILE CG1 C 30.634 0.042 1 532 47 47 ILE CG2 C 18.498 0.008 1 533 47 47 ILE N N 119.478 0.003 1 534 48 48 MET H H 8.466 0.002 1 535 48 48 MET HA H 4.266 0.002 1 536 48 48 MET HB2 H 2.015 0.005 2 537 48 48 MET HB3 H 2.145 0.006 2 538 48 48 MET HE H 1.947 0.030 1 539 48 48 MET HG2 H 2.775 0.009 2 540 48 48 MET HG3 H 3.192 0.004 2 541 48 48 MET C C 177.706 0.031 1 542 48 48 MET CA C 61.155 0.009 1 543 48 48 MET CB C 33.023 0.006 1 544 48 48 MET CE C 18.732 0.300 1 545 48 48 MET CG C 34.736 0.121 1 546 48 48 MET N N 122.638 0.012 1 547 49 49 GLU H H 8.464 0.002 1 548 49 49 GLU HA H 3.835 0.002 1 549 49 49 GLU HB2 H 1.946 0.030 2 550 49 49 GLU HB3 H 2.005 0.030 2 551 49 49 GLU HG2 H 2.181 0.004 2 552 49 49 GLU HG3 H 2.531 0.002 2 553 49 49 GLU C C 179.881 0.031 1 554 49 49 GLU CA C 60.239 0.006 1 555 49 49 GLU CB C 29.215 0.300 1 556 49 49 GLU CG C 37.482 0.034 1 557 49 49 GLU N N 118.310 0.024 1 558 50 50 GLU H H 7.985 0.002 1 559 50 50 GLU HA H 4.031 0.007 1 560 50 50 GLU HB2 H 2.017 0.030 2 561 50 50 GLU HB3 H 2.017 0.030 2 562 50 50 GLU HG2 H 2.246 0.003 2 563 50 50 GLU HG3 H 2.467 0.004 2 564 50 50 GLU C C 177.870 0.045 1 565 50 50 GLU CA C 59.537 0.002 1 566 50 50 GLU CB C 29.335 0.300 1 567 50 50 GLU CG C 36.637 0.068 1 568 50 50 GLU N N 119.577 0.011 1 569 51 51 LYS H H 8.069 0.002 1 570 51 51 LYS HA H 4.041 0.005 1 571 51 51 LYS HB2 H 1.877 0.001 2 572 51 51 LYS HB3 H 2.014 0.001 2 573 51 51 LYS HD2 H 1.025 0.004 2 574 51 51 LYS HD3 H 1.287 0.002 2 575 51 51 LYS HE2 H 2.312 0.002 2 576 51 51 LYS HE3 H 2.367 0.001 2 577 51 51 LYS HG2 H 0.311 0.006 2 578 51 51 LYS HG3 H 1.373 0.002 2 579 51 51 LYS C C 180.630 0.017 1 580 51 51 LYS CA C 58.240 0.006 1 581 51 51 LYS CB C 32.209 0.002 1 582 51 51 LYS CD C 27.539 0.016 1 583 51 51 LYS CE C 41.977 0.045 1 584 51 51 LYS CG C 22.892 0.047 1 585 51 51 LYS N N 121.567 0.051 1 586 52 52 ILE H H 8.431 0.002 1 587 52 52 ILE HA H 3.390 0.002 1 588 52 52 ILE HB H 1.665 0.003 1 589 52 52 ILE HD1 H 0.732 0.003 1 590 52 52 ILE HG12 H 0.546 0.003 2 591 52 52 ILE HG13 H 1.581 0.006 2 592 52 52 ILE HG2 H 0.715 0.005 1 593 52 52 ILE C C 179.235 0.038 1 594 52 52 ILE CA C 65.051 0.024 1 595 52 52 ILE CB C 38.597 0.023 1 596 52 52 ILE CD1 C 14.205 0.013 1 597 52 52 ILE CG1 C 29.339 0.045 1 598 52 52 ILE CG2 C 17.471 0.017 1 599 52 52 ILE N N 122.451 0.028 1 600 53 53 GLN H H 8.029 0.002 1 601 53 53 GLN HA H 3.953 0.006 1 602 53 53 GLN HB2 H 2.217 0.012 2 603 53 53 GLN HB3 H 2.217 0.012 2 604 53 53 GLN HE21 H 6.815 0.030 2 605 53 53 GLN HE22 H 7.450 0.030 2 606 53 53 GLN HG2 H 2.429 0.009 2 607 53 53 GLN HG3 H 2.429 0.009 2 608 53 53 GLN C C 178.010 0.026 1 609 53 53 GLN CA C 59.177 0.025 1 610 53 53 GLN CB C 28.563 0.066 1 611 53 53 GLN CG C 33.802 0.001 1 612 53 53 GLN N N 120.692 0.043 1 613 53 53 GLN NE2 N 111.699 0.002 1 614 54 54 ILE H H 8.208 0.003 1 615 54 54 ILE HA H 4.034 0.002 1 616 54 54 ILE HB H 1.900 0.001 1 617 54 54 ILE HD1 H 0.828 0.001 1 618 54 54 ILE HG12 H 1.316 0.004 2 619 54 54 ILE HG13 H 1.605 0.003 2 620 54 54 ILE HG2 H 0.924 0.002 1 621 54 54 ILE C C 177.737 0.026 1 622 54 54 ILE CA C 63.052 0.027 1 623 54 54 ILE CB C 38.813 0.003 1 624 54 54 ILE CD1 C 13.000 0.006 1 625 54 54 ILE CG1 C 28.474 0.073 1 626 54 54 ILE CG2 C 17.375 0.010 1 627 54 54 ILE N N 115.889 0.011 1 628 55 55 SER H H 8.499 0.001 1 629 55 55 SER HA H 4.731 0.002 1 630 55 55 SER HB2 H 3.879 0.005 2 631 55 55 SER HB3 H 3.987 0.008 2 632 55 55 SER C C 175.645 0.019 1 633 55 55 SER CA C 59.243 0.032 1 634 55 55 SER CB C 66.921 0.038 1 635 55 55 SER N N 114.588 0.008 1 636 56 56 GLY H H 8.294 0.002 1 637 56 56 GLY HA2 H 3.801 0.001 2 638 56 56 GLY HA3 H 4.358 0.001 2 639 56 56 GLY C C 173.236 0.027 1 640 56 56 GLY CA C 45.741 0.027 1 641 56 56 GLY N N 113.509 0.015 1 642 57 57 SER H H 7.787 0.003 1 643 57 57 SER HA H 4.592 0.001 1 644 57 57 SER HB2 H 3.642 0.030 2 645 57 57 SER HB3 H 3.730 0.030 2 646 57 57 SER C C 171.098 0.026 1 647 57 57 SER CA C 56.926 0.006 1 648 57 57 SER CB C 65.622 0.002 1 649 57 57 SER N N 113.719 0.004 1 650 58 58 ASN H H 8.314 0.003 1 651 58 58 ASN HA H 4.535 0.001 1 652 58 58 ASN HB2 H 2.618 0.005 2 653 58 58 ASN HB3 H 2.917 0.006 2 654 58 58 ASN HD21 H 7.825 0.001 2 655 58 58 ASN HD22 H 6.953 0.002 2 656 58 58 ASN C C 176.240 0.038 1 657 58 58 ASN CA C 50.701 0.013 1 658 58 58 ASN CB C 39.098 0.037 1 659 58 58 ASN N N 118.202 0.082 1 660 58 58 ASN ND2 N 108.917 0.001 1 661 59 59 TYR H H 9.371 0.030 1 662 59 59 TYR HA H 3.979 0.002 1 663 59 59 TYR HB2 H 2.471 0.003 2 664 59 59 TYR HB3 H 2.823 0.001 2 665 59 59 TYR HD1 H 7.251 0.030 3 666 59 59 TYR HD2 H 7.251 0.030 3 667 59 59 TYR HE1 H 6.793 0.030 3 668 59 59 TYR HE2 H 6.793 0.030 3 669 59 59 TYR C C 176.249 0.034 1 670 59 59 TYR CA C 60.847 0.007 1 671 59 59 TYR CB C 40.641 0.014 1 672 59 59 TYR CE1 C 118.425 0.300 3 673 59 59 TYR CE2 C 118.425 0.300 3 674 59 59 TYR N N 119.946 0.002 1 675 60 60 LYS H H 9.198 0.002 1 676 60 60 LYS HA H 4.382 0.004 1 677 60 60 LYS HB2 H 1.773 0.001 2 678 60 60 LYS HB3 H 1.945 0.007 2 679 60 60 LYS HD2 H 1.664 0.030 2 680 60 60 LYS HD3 H 1.664 0.030 2 681 60 60 LYS HE2 H 2.979 0.030 2 682 60 60 LYS HE3 H 2.979 0.030 2 683 60 60 LYS HG2 H 1.461 0.005 2 684 60 60 LYS HG3 H 1.461 0.005 2 685 60 60 LYS C C 176.274 0.037 1 686 60 60 LYS CA C 55.944 0.300 1 687 60 60 LYS CB C 34.029 0.045 1 688 60 60 LYS CD C 28.648 0.003 1 689 60 60 LYS CE C 42.007 0.003 1 690 60 60 LYS CG C 24.832 0.300 1 691 60 60 LYS N N 119.507 0.011 1 692 61 61 SER H H 7.433 0.002 1 693 61 61 SER HA H 4.784 0.002 1 694 61 61 SER HB2 H 3.855 0.003 2 695 61 61 SER HB3 H 4.000 0.004 2 696 61 61 SER C C 174.030 0.023 1 697 61 61 SER CA C 56.004 0.052 1 698 61 61 SER CB C 65.031 0.142 1 699 61 61 SER N N 112.753 0.027 1 700 62 62 LEU H H 9.080 0.001 1 701 62 62 LEU HA H 3.992 0.003 1 702 62 62 LEU HB2 H 1.570 0.030 2 703 62 62 LEU HB3 H 1.776 0.004 2 704 62 62 LEU HD1 H 0.896 0.030 2 705 62 62 LEU HD2 H 0.927 0.006 2 706 62 62 LEU HG H 1.544 0.001 1 707 62 62 LEU C C 177.266 0.022 1 708 62 62 LEU CA C 57.642 0.016 1 709 62 62 LEU CB C 42.277 0.016 1 710 62 62 LEU CD1 C 23.963 0.002 2 711 62 62 LEU CD2 C 26.342 0.018 2 712 62 62 LEU CG C 26.863 0.001 1 713 62 62 LEU N N 128.464 0.013 1 714 63 63 GLU H H 8.709 0.002 1 715 63 63 GLU HA H 3.830 0.002 1 716 63 63 GLU HB2 H 1.983 0.030 2 717 63 63 GLU HB3 H 1.983 0.030 2 718 63 63 GLU HG2 H 2.253 0.001 2 719 63 63 GLU HG3 H 2.341 0.005 2 720 63 63 GLU C C 179.187 0.024 1 721 63 63 GLU CA C 60.281 0.026 1 722 63 63 GLU CB C 29.002 0.001 1 723 63 63 GLU CG C 36.919 0.009 1 724 63 63 GLU N N 116.160 0.008 1 725 64 64 VAL H H 7.150 0.002 1 726 64 64 VAL HA H 3.761 0.001 1 727 64 64 VAL HB H 2.273 0.004 1 728 64 64 VAL HG1 H 1.098 0.007 2 729 64 64 VAL HG2 H 1.187 0.004 2 730 64 64 VAL C C 176.810 0.031 1 731 64 64 VAL CA C 65.569 0.015 1 732 64 64 VAL CB C 32.102 0.015 1 733 64 64 VAL CG1 C 22.343 0.007 2 734 64 64 VAL CG2 C 22.001 0.003 2 735 64 64 VAL N N 119.872 0.006 1 736 65 65 LEU H H 7.067 0.003 1 737 65 65 LEU HA H 3.006 0.002 1 738 65 65 LEU HB2 H 0.716 0.002 2 739 65 65 LEU HB3 H 1.793 0.004 2 740 65 65 LEU HD1 H 0.233 0.003 2 741 65 65 LEU HD2 H 0.502 0.002 2 742 65 65 LEU HG H 1.003 0.006 1 743 65 65 LEU C C 177.819 0.031 1 744 65 65 LEU CA C 58.446 0.018 1 745 65 65 LEU CB C 41.082 0.054 1 746 65 65 LEU CD1 C 23.906 0.013 2 747 65 65 LEU CD2 C 26.633 0.024 2 748 65 65 LEU CG C 26.996 0.026 1 749 65 65 LEU N N 121.773 0.012 1 750 66 66 VAL H H 8.548 0.002 1 751 66 66 VAL HA H 3.057 0.001 1 752 66 66 VAL HB H 1.932 0.001 1 753 66 66 VAL HG1 H 0.903 0.002 2 754 66 66 VAL HG2 H 0.937 0.002 2 755 66 66 VAL C C 177.035 0.029 1 756 66 66 VAL CA C 66.710 0.009 1 757 66 66 VAL CB C 31.692 0.009 1 758 66 66 VAL CG1 C 23.548 0.021 2 759 66 66 VAL CG2 C 21.396 0.020 2 760 66 66 VAL N N 116.430 0.008 1 761 67 67 ALA H H 7.518 0.003 1 762 67 67 ALA HA H 4.031 0.002 1 763 67 67 ALA HB H 1.479 0.030 1 764 67 67 ALA C C 180.651 0.026 1 765 67 67 ALA CA C 55.272 0.002 1 766 67 67 ALA CB C 17.661 0.002 1 767 67 67 ALA N N 120.833 0.016 1 768 68 68 ASP H H 7.885 0.002 1 769 68 68 ASP HA H 4.463 0.030 1 770 68 68 ASP HB2 H 2.623 0.030 2 771 68 68 ASP HB3 H 2.827 0.030 2 772 68 68 ASP C C 179.698 0.037 1 773 68 68 ASP CA C 56.944 0.300 1 774 68 68 ASP CB C 38.918 0.008 1 775 68 68 ASP N N 119.003 0.011 1 776 69 69 LEU H H 8.331 0.003 1 777 69 69 LEU HA H 3.768 0.002 1 778 69 69 LEU HB2 H 0.734 0.003 2 779 69 69 LEU HB3 H 1.337 0.005 2 780 69 69 LEU HD1 H 0.039 0.002 2 781 69 69 LEU HD2 H 0.532 0.003 2 782 69 69 LEU HG H 1.327 0.001 1 783 69 69 LEU C C 179.683 0.032 1 784 69 69 LEU CA C 58.273 0.009 1 785 69 69 LEU CB C 41.627 0.042 1 786 69 69 LEU CD1 C 25.663 0.003 2 787 69 69 LEU CD2 C 23.684 0.027 2 788 69 69 LEU CG C 26.626 0.040 1 789 69 69 LEU N N 124.605 0.037 1 790 70 70 VAL H H 8.607 0.002 1 791 70 70 VAL HA H 3.770 0.002 1 792 70 70 VAL HB H 2.180 0.010 1 793 70 70 VAL HG1 H 0.992 0.002 2 794 70 70 VAL HG2 H 1.202 0.001 2 795 70 70 VAL C C 179.416 0.028 1 796 70 70 VAL CA C 66.257 0.036 1 797 70 70 VAL CB C 31.994 0.017 1 798 70 70 VAL CG1 C 21.239 0.039 2 799 70 70 VAL CG2 C 23.206 0.013 2 800 70 70 VAL N N 120.013 0.021 1 801 71 71 ASN H H 8.015 0.001 1 802 71 71 ASN HA H 4.524 0.030 1 803 71 71 ASN HB2 H 2.864 0.001 2 804 71 71 ASN HB3 H 2.864 0.001 2 805 71 71 ASN HD21 H 7.876 0.001 2 806 71 71 ASN HD22 H 6.911 0.002 2 807 71 71 ASN C C 176.926 0.033 1 808 71 71 ASN CA C 55.721 0.002 1 809 71 71 ASN CB C 38.584 0.006 1 810 71 71 ASN N N 118.497 0.035 1 811 71 71 ASN ND2 N 113.589 0.002 1 812 72 72 ALA H H 7.879 0.001 1 813 72 72 ALA HA H 4.245 0.030 1 814 72 72 ALA HB H 1.501 0.030 1 815 72 72 ALA C C 179.149 0.025 1 816 72 72 ALA CA C 53.965 0.300 1 817 72 72 ALA CB C 18.507 0.001 1 818 72 72 ALA N N 121.681 0.020 1 819 73 73 GLN H H 7.845 0.001 1 820 73 73 GLN HA H 4.250 0.001 1 821 73 73 GLN HB2 H 2.238 0.002 2 822 73 73 GLN HB3 H 2.238 0.002 2 823 73 73 GLN HE21 H 6.858 0.030 2 824 73 73 GLN HE22 H 7.639 0.030 2 825 73 73 GLN HG2 H 2.493 0.002 2 826 73 73 GLN HG3 H 2.649 0.003 2 827 73 73 GLN C C 177.291 0.021 1 828 73 73 GLN CA C 56.968 0.010 1 829 73 73 GLN CB C 28.736 0.006 1 830 73 73 GLN CG C 34.007 0.016 1 831 73 73 GLN N N 117.617 0.032 1 832 73 73 GLN NE2 N 111.464 0.010 1 833 74 74 LYS H H 7.902 0.001 1 834 74 74 LYS HA H 4.243 0.006 1 835 74 74 LYS HB2 H 1.899 0.003 2 836 74 74 LYS HB3 H 1.899 0.003 2 837 74 74 LYS HD2 H 1.702 0.003 2 838 74 74 LYS HD3 H 1.702 0.003 2 839 74 74 LYS HE2 H 2.992 0.004 2 840 74 74 LYS HE3 H 2.992 0.004 2 841 74 74 LYS HG2 H 1.475 0.030 2 842 74 74 LYS HG3 H 1.549 0.030 2 843 74 74 LYS C C 177.334 0.062 1 844 74 74 LYS CA C 57.594 0.033 1 845 74 74 LYS CB C 32.714 0.022 1 846 74 74 LYS CD C 29.014 0.300 1 847 74 74 LYS CE C 42.003 0.002 1 848 74 74 LYS CG C 24.793 0.002 1 849 74 74 LYS N N 120.792 0.011 1 850 75 75 ASP H H 8.267 0.002 1 851 75 75 ASP HA H 4.606 0.030 1 852 75 75 ASP HB2 H 2.714 0.030 2 853 75 75 ASP HB3 H 2.714 0.030 2 854 75 75 ASP C C 176.858 0.037 1 855 75 75 ASP CA C 55.133 0.300 1 856 75 75 ASP CB C 41.093 0.300 1 857 75 75 ASP N N 120.458 0.016 1 858 76 76 SER H H 8.104 0.001 1 859 76 76 SER HA H 4.413 0.030 1 860 76 76 SER HB2 H 3.924 0.030 2 861 76 76 SER HB3 H 3.924 0.030 2 862 76 76 SER C C 174.975 0.300 1 863 76 76 SER CA C 59.032 0.300 1 864 76 76 SER CB C 63.794 0.300 1 865 76 76 SER N N 115.624 0.032 1 866 77 77 MET H H 8.257 0.002 1 867 77 77 MET HA H 4.482 0.003 1 868 77 77 MET HB2 H 2.058 0.030 2 869 77 77 MET HB3 H 2.141 0.030 2 870 77 77 MET HE H 2.089 0.030 1 871 77 77 MET HG2 H 2.552 0.001 2 872 77 77 MET HG3 H 2.646 0.001 2 873 77 77 MET C C 176.460 0.006 1 874 77 77 MET CA C 55.803 0.036 1 875 77 77 MET CB C 32.590 0.045 1 876 77 77 MET CE C 16.944 0.300 1 877 77 77 MET CG C 32.152 0.023 1 878 77 77 MET N N 121.594 0.006 1 879 78 78 GLN H H 8.258 0.002 1 880 78 78 GLN HA H 4.319 0.003 1 881 78 78 GLN HB2 H 2.078 0.030 2 882 78 78 GLN HB3 H 2.078 0.030 2 883 78 78 GLN HG2 H 2.353 0.030 2 884 78 78 GLN HG3 H 2.353 0.030 2 885 78 78 GLN C C 175.756 0.021 1 886 78 78 GLN CA C 55.965 0.300 1 887 78 78 GLN CB C 29.473 0.300 1 888 78 78 GLN CG C 33.775 0.004 1 889 78 78 GLN N N 120.840 0.034 1 890 79 79 ASP H H 8.375 0.001 1 891 79 79 ASP HA H 4.609 0.030 1 892 79 79 ASP HB2 H 2.710 0.030 2 893 79 79 ASP HB3 H 2.710 0.030 2 894 79 79 ASP C C 176.703 0.029 1 895 79 79 ASP CA C 54.389 0.300 1 896 79 79 ASP CB C 41.335 0.300 1 897 79 79 ASP N N 121.785 0.034 1 898 80 80 GLU H H 8.589 0.001 1 899 80 80 GLU HA H 4.291 0.030 1 900 80 80 GLU HB2 H 1.972 0.030 2 901 80 80 GLU HB3 H 2.109 0.002 2 902 80 80 GLU HG2 H 2.285 0.003 2 903 80 80 GLU HG3 H 2.285 0.003 2 904 80 80 GLU C C 177.234 0.014 1 905 80 80 GLU CA C 57.332 0.300 1 906 80 80 GLU CB C 30.011 0.005 1 907 80 80 GLU CG C 36.331 0.009 1 908 80 80 GLU N N 122.478 0.004 1 909 81 81 SER H H 8.465 0.002 1 910 81 81 SER HA H 4.415 0.030 1 911 81 81 SER HB2 H 3.920 0.030 2 912 81 81 SER HB3 H 3.920 0.030 2 913 81 81 SER C C 175.190 0.300 1 914 81 81 SER CA C 59.282 0.300 1 915 81 81 SER CB C 63.688 0.300 1 916 81 81 SER N N 116.548 0.008 1 917 82 82 SER H H 8.259 0.002 1 918 82 82 SER HA H 4.466 0.030 1 919 82 82 SER HB2 H 3.917 0.030 2 920 82 82 SER HB3 H 3.917 0.030 2 921 82 82 SER C C 174.958 0.300 1 922 82 82 SER CA C 58.956 0.300 1 923 82 82 SER CB C 63.667 0.300 1 924 82 82 SER N N 117.544 0.011 1 925 83 83 GLN H H 8.313 0.001 1 926 83 83 GLN HA H 4.389 0.002 1 927 83 83 GLN HB2 H 2.013 0.001 2 928 83 83 GLN HB3 H 2.167 0.030 2 929 83 83 GLN HG2 H 2.380 0.002 2 930 83 83 GLN HG3 H 2.380 0.002 2 931 83 83 GLN C C 176.539 0.031 1 932 83 83 GLN CA C 56.212 0.010 1 933 83 83 GLN CB C 29.354 0.300 1 934 83 83 GLN CG C 33.847 0.001 1 935 83 83 GLN N N 121.721 0.021 1 936 84 84 THR H H 8.165 0.003 1 937 84 84 THR HA H 4.327 0.001 1 938 84 84 THR HB H 4.241 0.030 1 939 84 84 THR HG2 H 1.203 0.001 1 940 84 84 THR C C 174.873 0.030 1 941 84 84 THR CA C 62.257 0.013 1 942 84 84 THR CB C 69.755 0.300 1 943 84 84 THR CG2 C 21.556 0.007 1 944 84 84 THR N N 114.712 0.027 1 945 85 85 SER H H 8.307 0.003 1 946 85 85 SER HA H 4.437 0.030 1 947 85 85 SER HB2 H 3.876 0.030 2 948 85 85 SER HB3 H 3.876 0.030 2 949 85 85 SER C C 174.811 0.300 1 950 85 85 SER CA C 58.819 0.300 1 951 85 85 SER CB C 63.645 0.300 1 952 85 85 SER N N 118.012 0.056 1 953 86 86 LEU H H 8.193 0.002 1 954 86 86 LEU HA H 4.327 0.030 1 955 86 86 LEU HB2 H 1.608 0.030 2 956 86 86 LEU HB3 H 1.608 0.030 2 957 86 86 LEU HD1 H 0.860 0.030 2 958 86 86 LEU HD2 H 0.912 0.030 2 959 86 86 LEU HG H 1.619 0.030 1 960 86 86 LEU C C 177.508 0.010 1 961 86 86 LEU CA C 55.687 0.300 1 962 86 86 LEU CB C 42.340 0.004 1 963 86 86 LEU CD1 C 23.556 0.001 2 964 86 86 LEU CD2 C 24.880 0.001 2 965 86 86 LEU CG C 27.112 0.016 1 966 86 86 LEU N N 123.858 0.004 1 967 87 87 GLN H H 8.247 0.005 1 968 87 87 GLN HA H 4.253 0.001 1 969 87 87 GLN HB2 H 2.017 0.002 2 970 87 87 GLN HB3 H 2.017 0.002 2 971 87 87 GLN HG2 H 2.358 0.002 2 972 87 87 GLN HG3 H 2.358 0.002 2 973 87 87 GLN C C 176.135 0.005 1 974 87 87 GLN CA C 55.998 0.300 1 975 87 87 GLN CB C 29.348 0.009 1 976 87 87 GLN CG C 33.908 0.008 1 977 87 87 GLN N N 120.726 0.012 1 978 88 88 LYS H H 8.251 0.004 1 979 88 88 LYS HA H 4.289 0.030 1 980 88 88 LYS HB2 H 1.785 0.030 2 981 88 88 LYS HB3 H 1.785 0.030 2 982 88 88 LYS HD2 H 1.644 0.030 2 983 88 88 LYS HD3 H 1.644 0.030 2 984 88 88 LYS HE2 H 2.979 0.030 2 985 88 88 LYS HE3 H 2.979 0.030 2 986 88 88 LYS HG2 H 1.415 0.030 2 987 88 88 LYS HG3 H 1.415 0.030 2 988 88 88 LYS C C 176.569 0.300 1 989 88 88 LYS CA C 56.481 0.300 1 990 88 88 LYS CB C 33.143 0.300 1 991 88 88 LYS CD C 28.810 0.300 1 992 88 88 LYS CE C 41.874 0.300 1 993 88 88 LYS CG C 24.739 0.300 1 994 88 88 LYS N N 122.496 0.008 1 995 89 89 GLU H H 8.422 0.030 1 996 89 89 GLU HA H 4.246 0.030 1 997 89 89 GLU HB2 H 2.005 0.003 2 998 89 89 GLU HB3 H 2.005 0.003 2 999 89 89 GLU HG2 H 2.245 0.010 2 1000 89 89 GLU HG3 H 2.245 0.010 2 1001 89 89 GLU C C 176.537 0.031 1 1002 89 89 GLU CA C 56.712 0.048 1 1003 89 89 GLU CB C 30.252 0.005 1 1004 89 89 GLU CG C 36.474 0.300 1 1005 89 89 GLU N N 122.217 0.018 1 1006 90 90 ILE H H 8.238 0.004 1 1007 90 90 ILE HA H 4.215 0.002 1 1008 90 90 ILE HB H 1.863 0.030 1 1009 90 90 ILE HD1 H 0.820 0.001 1 1010 90 90 ILE HG12 H 1.194 0.001 2 1011 90 90 ILE HG13 H 1.480 0.001 2 1012 90 90 ILE HG2 H 0.913 0.030 1 1013 90 90 ILE C C 176.445 0.041 1 1014 90 90 ILE CA C 61.089 0.078 1 1015 90 90 ILE CB C 38.864 0.300 1 1016 90 90 ILE CD1 C 12.953 0.002 1 1017 90 90 ILE CG1 C 27.249 0.019 1 1018 90 90 ILE CG2 C 17.577 0.004 1 1019 90 90 ILE N N 121.978 0.053 1 1020 91 91 SER H H 8.550 0.001 1 1021 91 91 SER HA H 4.536 0.030 1 1022 91 91 SER HB2 H 3.940 0.030 2 1023 91 91 SER HB3 H 4.082 0.030 2 1024 91 91 SER C C 175.270 0.017 1 1025 91 91 SER CA C 58.346 0.300 1 1026 91 91 SER CB C 64.428 0.300 1 1027 91 91 SER N N 120.815 0.010 1 1028 92 92 THR H H 8.529 0.002 1 1029 92 92 THR HA H 4.155 0.030 1 1030 92 92 THR HB H 4.266 0.030 1 1031 92 92 THR HG2 H 1.251 0.001 1 1032 92 92 THR C C 175.809 0.038 1 1033 92 92 THR CA C 64.087 0.016 1 1034 92 92 THR CB C 69.337 0.001 1 1035 92 92 THR CG2 C 22.024 0.001 1 1036 92 92 THR N N 117.081 0.038 1 1037 93 93 GLU H H 8.660 0.049 1 1038 93 93 GLU HA H 4.063 0.002 1 1039 93 93 GLU HB2 H 2.011 0.001 2 1040 93 93 GLU HB3 H 2.011 0.001 2 1041 93 93 GLU HG2 H 2.290 0.006 2 1042 93 93 GLU HG3 H 2.290 0.006 2 1043 93 93 GLU C C 178.392 0.020 1 1044 93 93 GLU CA C 59.204 0.002 1 1045 93 93 GLU CB C 29.480 0.007 1 1046 93 93 GLU CG C 36.543 0.001 1 1047 93 93 GLU N N 121.497 0.049 1 1048 94 94 GLU H H 8.211 0.002 1 1049 94 94 GLU HA H 4.090 0.003 1 1050 94 94 GLU HB2 H 2.077 0.030 2 1051 94 94 GLU HB3 H 2.077 0.030 2 1052 94 94 GLU HG2 H 2.265 0.002 2 1053 94 94 GLU HG3 H 2.265 0.002 2 1054 94 94 GLU C C 178.210 0.036 1 1055 94 94 GLU CA C 58.548 0.009 1 1056 94 94 GLU CB C 29.607 0.300 1 1057 94 94 GLU CG C 36.466 0.002 1 1058 94 94 GLU N N 120.821 0.021 1 1059 95 95 GLN H H 8.218 0.002 1 1060 95 95 GLN HA H 4.053 0.001 1 1061 95 95 GLN HB2 H 2.134 0.030 2 1062 95 95 GLN HB3 H 2.134 0.030 2 1063 95 95 GLN HE21 H 6.896 0.030 2 1064 95 95 GLN HE22 H 7.386 0.030 2 1065 95 95 GLN HG2 H 2.352 0.030 2 1066 95 95 GLN HG3 H 2.405 0.030 2 1067 95 95 GLN C C 178.056 0.039 1 1068 95 95 GLN CA C 58.212 0.014 1 1069 95 95 GLN CB C 28.767 0.300 1 1070 95 95 GLN CG C 33.962 0.013 1 1071 95 95 GLN N N 120.086 0.057 1 1072 95 95 GLN NE2 N 111.978 0.009 1 1073 96 96 LEU H H 8.078 0.007 1 1074 96 96 LEU HA H 4.158 0.001 1 1075 96 96 LEU HB2 H 1.566 0.030 2 1076 96 96 LEU HB3 H 1.759 0.030 2 1077 96 96 LEU HD1 H 0.864 0.030 2 1078 96 96 LEU HD2 H 0.894 0.030 2 1079 96 96 LEU HG H 1.701 0.003 1 1080 96 96 LEU C C 178.895 0.022 1 1081 96 96 LEU CA C 57.025 0.004 1 1082 96 96 LEU CB C 41.845 0.017 1 1083 96 96 LEU CD1 C 23.467 0.006 2 1084 96 96 LEU CD2 C 24.887 0.002 2 1085 96 96 LEU CG C 27.024 0.003 1 1086 96 96 LEU N N 120.257 0.049 1 1087 97 97 ARG H H 7.968 0.004 1 1088 97 97 ARG HA H 4.156 0.030 1 1089 97 97 ARG HB2 H 1.866 0.002 2 1090 97 97 ARG HB3 H 1.866 0.002 2 1091 97 97 ARG HD2 H 3.193 0.003 2 1092 97 97 ARG HD3 H 3.193 0.003 2 1093 97 97 ARG HG2 H 1.616 0.002 2 1094 97 97 ARG HG3 H 1.616 0.002 2 1095 97 97 ARG C C 177.975 0.049 1 1096 97 97 ARG CA C 58.173 0.300 1 1097 97 97 ARG CB C 30.198 0.002 1 1098 97 97 ARG CD C 43.336 0.001 1 1099 97 97 ARG CG C 27.323 0.006 1 1100 97 97 ARG N N 120.296 0.027 1 1101 98 98 ARG H H 8.031 0.003 1 1102 98 98 ARG HA H 4.142 0.030 1 1103 98 98 ARG HB2 H 1.869 0.002 2 1104 98 98 ARG HB3 H 1.869 0.002 2 1105 98 98 ARG HD2 H 3.175 0.005 2 1106 98 98 ARG HD3 H 3.175 0.005 2 1107 98 98 ARG HG2 H 1.743 0.030 2 1108 98 98 ARG HG3 H 1.743 0.030 2 1109 98 98 ARG C C 177.751 0.020 1 1110 98 98 ARG CA C 57.835 0.300 1 1111 98 98 ARG CB C 30.257 0.002 1 1112 98 98 ARG CD C 43.364 0.027 1 1113 98 98 ARG CG C 27.402 0.300 1 1114 98 98 ARG N N 119.631 0.078 1 1115 99 99 LEU H H 7.928 0.016 1 1116 99 99 LEU HA H 4.217 0.030 1 1117 99 99 LEU HB2 H 1.618 0.030 2 1118 99 99 LEU HB3 H 1.779 0.030 2 1119 99 99 LEU HD1 H 0.874 0.030 2 1120 99 99 LEU HD2 H 0.919 0.030 2 1121 99 99 LEU HG H 1.716 0.030 1 1122 99 99 LEU C C 178.419 0.020 1 1123 99 99 LEU CA C 56.469 0.300 1 1124 99 99 LEU CB C 42.187 0.008 1 1125 99 99 LEU CD1 C 23.462 0.001 2 1126 99 99 LEU CD2 C 25.029 0.003 2 1127 99 99 LEU CG C 27.048 0.008 1 1128 99 99 LEU N N 120.641 0.113 1 1129 100 100 GLN H H 7.997 0.013 1 1130 100 100 GLN HA H 4.226 0.004 1 1131 100 100 GLN HB2 H 2.101 0.030 2 1132 100 100 GLN HB3 H 2.101 0.030 2 1133 100 100 GLN HG2 H 2.410 0.004 2 1134 100 100 GLN HG3 H 2.410 0.004 2 1135 100 100 GLN C C 176.778 0.012 1 1136 100 100 GLN CA C 56.694 0.300 1 1137 100 100 GLN CB C 29.107 0.300 1 1138 100 100 GLN CG C 33.916 0.004 1 1139 100 100 GLN N N 118.672 0.068 1 1140 101 101 GLU H H 8.128 0.014 1 1141 101 101 GLU HA H 4.222 0.007 1 1142 101 101 GLU HB2 H 2.003 0.003 2 1143 101 101 GLU HB3 H 2.003 0.003 2 1144 101 101 GLU HG2 H 2.326 0.004 2 1145 101 101 GLU HG3 H 2.326 0.004 2 1146 101 101 GLU C C 176.818 0.030 1 1147 101 101 GLU CA C 56.994 0.091 1 1148 101 101 GLU CB C 30.267 0.012 1 1149 101 101 GLU CG C 36.447 0.300 1 1150 101 101 GLU N N 120.333 0.047 1 1151 102 102 GLU H H 8.187 0.002 1 1152 102 102 GLU HA H 4.242 0.001 1 1153 102 102 GLU HB2 H 2.027 0.030 2 1154 102 102 GLU HB3 H 2.027 0.030 2 1155 102 102 GLU HG2 H 2.214 0.030 2 1156 102 102 GLU HG3 H 2.324 0.005 2 1157 102 102 GLU C C 176.181 0.030 1 1158 102 102 GLU CA C 56.841 0.046 1 1159 102 102 GLU CB C 30.372 0.045 1 1160 102 102 GLU CG C 36.401 0.300 1 1161 102 102 GLU N N 121.032 0.007 1 1162 103 103 LYS H H 8.156 0.001 1 1163 103 103 LYS HA H 4.339 0.030 1 1164 103 103 LYS HB2 H 1.851 0.003 2 1165 103 103 LYS HB3 H 1.851 0.003 2 1166 103 103 LYS HD2 H 1.676 0.003 2 1167 103 103 LYS HD3 H 1.676 0.003 2 1168 103 103 LYS HE2 H 2.984 0.003 2 1169 103 103 LYS HE3 H 2.984 0.003 2 1170 103 103 LYS HG2 H 1.439 0.001 2 1171 103 103 LYS HG3 H 1.439 0.001 2 1172 103 103 LYS C C 175.478 0.018 1 1173 103 103 LYS CA C 56.093 0.300 1 1174 103 103 LYS CB C 32.858 0.300 1 1175 103 103 LYS CD C 29.017 0.014 1 1176 103 103 LYS CE C 41.962 0.014 1 1177 103 103 LYS CG C 24.743 0.009 1 1178 103 103 LYS N N 122.610 0.021 1 1179 104 104 LEU H H 7.878 0.030 1 1180 104 104 LEU HA H 4.174 0.002 1 1181 104 104 LEU HB2 H 1.573 0.002 2 1182 104 104 LEU HB3 H 1.573 0.002 2 1183 104 104 LEU HD1 H 0.851 0.004 2 1184 104 104 LEU HD2 H 0.892 0.002 2 1185 104 104 LEU HG H 1.608 0.008 1 1186 104 104 LEU C C 182.560 0.300 1 1187 104 104 LEU CA C 56.776 0.006 1 1188 104 104 LEU CB C 43.385 0.006 1 1189 104 104 LEU CD1 C 23.525 0.031 2 1190 104 104 LEU CD2 C 25.166 0.002 2 1191 104 104 LEU CG C 27.377 0.002 1 1192 104 104 LEU N N 129.687 0.012 1 stop_ save_