data_17293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human J-protein co-chaperone Dph4 ; _BMRB_accession_number 17293 _BMRB_flat_file_name bmr17293.str _Entry_type original _Submission_date 2010-11-11 _Accession_date 2010-11-11 _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 Thakur Anushikha . . 2 Chitoor Balasubramanyam S. . 3 Atreya Hanudatta S. . 4 Silva Patrick D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 786 "13C chemical shifts" 525 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2012-01-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and mechanistic insights into novel iron-mediated moonlighting functions of human J-protein cochaperone, Dph4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22367199 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thakur Anushikha . . 2 Chitoor Balasubramanyam . . 3 Goswami Arvind V. . 4 Pareek Gautam . . 5 Atreya Hanudatta S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13194 _Page_last 13205 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Zn-Dph4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dph4 $Dph4_polypeptide Zn $ZN 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_Dph4_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dph4 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; MMAVEQMPKKDWYSILGADP SANISDLKQKYQKLILMYHP DKQSTDVPAGTVEECVQKFI EIDQAWKILGNEETKREYDL QRCEDDLRNVGPVDAQVYLE EMSWNEGDHSFYLSCRCGGK YSVSKDEAEEVSLISCDTCS LIIELLHYNHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 ALA 4 VAL 5 GLU 6 GLN 7 MET 8 PRO 9 LYS 10 LYS 11 ASP 12 TRP 13 TYR 14 SER 15 ILE 16 LEU 17 GLY 18 ALA 19 ASP 20 PRO 21 SER 22 ALA 23 ASN 24 ILE 25 SER 26 ASP 27 LEU 28 LYS 29 GLN 30 LYS 31 TYR 32 GLN 33 LYS 34 LEU 35 ILE 36 LEU 37 MET 38 TYR 39 HIS 40 PRO 41 ASP 42 LYS 43 GLN 44 SER 45 THR 46 ASP 47 VAL 48 PRO 49 ALA 50 GLY 51 THR 52 VAL 53 GLU 54 GLU 55 CYS 56 VAL 57 GLN 58 LYS 59 PHE 60 ILE 61 GLU 62 ILE 63 ASP 64 GLN 65 ALA 66 TRP 67 LYS 68 ILE 69 LEU 70 GLY 71 ASN 72 GLU 73 GLU 74 THR 75 LYS 76 ARG 77 GLU 78 TYR 79 ASP 80 LEU 81 GLN 82 ARG 83 CYS 84 GLU 85 ASP 86 ASP 87 LEU 88 ARG 89 ASN 90 VAL 91 GLY 92 PRO 93 VAL 94 ASP 95 ALA 96 GLN 97 VAL 98 TYR 99 LEU 100 GLU 101 GLU 102 MET 103 SER 104 TRP 105 ASN 106 GLU 107 GLY 108 ASP 109 HIS 110 SER 111 PHE 112 TYR 113 LEU 114 SER 115 CYS 116 ARG 117 CYS 118 GLY 119 GLY 120 LYS 121 TYR 122 SER 123 VAL 124 SER 125 LYS 126 ASP 127 GLU 128 ALA 129 GLU 130 GLU 131 VAL 132 SER 133 LEU 134 ILE 135 SER 136 CYS 137 ASP 138 THR 139 CYS 140 SER 141 LEU 142 ILE 143 ILE 144 GLU 145 LEU 146 LEU 147 HIS 148 TYR 149 ASN 150 HIS 151 HIS 152 HIS 153 HIS 154 HIS 155 HIS 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 2L6L "Solution Structure Of Human J-Protein Co-Chaperone, Dph4" 100.00 155 100.00 100.00 6.63e-111 DBJ BAF82354 "unnamed protein product [Homo sapiens]" 95.48 148 100.00 100.00 1.58e-104 GB AAH36571 "DNAJC24 protein [Homo sapiens]" 52.90 84 100.00 100.00 3.06e-52 GB AAH63804 "DNAJC24 protein [Homo sapiens]" 95.48 148 100.00 100.00 1.58e-104 GB AIC62319 "DNAJC24, partial [synthetic construct]" 95.48 148 100.00 100.00 1.58e-104 GB EAW68242 "zinc finger, CSL-type containing 3, isoform CRA_b [Homo sapiens]" 53.55 88 100.00 100.00 1.41e-52 GB EAW68243 "zinc finger, CSL-type containing 3, isoform CRA_c [Homo sapiens]" 53.55 85 100.00 100.00 4.40e-53 REF NP_859057 "dnaJ homolog subfamily C member 24 [Homo sapiens]" 96.13 149 100.00 100.00 2.07e-105 REF XP_001141859 "PREDICTED: dnaJ homolog subfamily C member 24 isoform X1 [Pan troglodytes]" 96.13 149 100.00 100.00 2.07e-105 REF XP_003254415 "PREDICTED: dnaJ homolog subfamily C member 24 isoform X1 [Nomascus leucogenys]" 95.48 148 98.65 98.65 6.14e-102 REF XP_003830465 "PREDICTED: dnaJ homolog subfamily C member 24 [Pan paniscus]" 96.13 149 100.00 100.00 2.07e-105 REF XP_009244778 "PREDICTED: dnaJ homolog subfamily C member 24 [Pongo abelii]" 96.13 149 100.00 100.00 2.07e-105 SP Q6P3W2 "RecName: Full=DnaJ homolog subfamily C member 24; AltName: Full=CSL-type zinc finger-containing protein 3; AltName: Full=Diphth" 95.48 148 100.00 100.00 1.58e-104 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dph4_polypeptide 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 $Dph4_polypeptide 'recombinant technology' . Escherichia coli . pET3A 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 $Dph4_polypeptide 1 mM '[U-13C; U-15N]' $ZN 1 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dph4_polypeptide 1 mM 'natural abundance' $ZN 1 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' TRIS 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CBCACO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_1 save_ save_GFT_(3,2)D_HA(CA)CO(N)H_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (3,2)D HA(CA)CO(N)H' _Sample_label $sample_1 save_ save_GFT_(4,3)D_NOESY-HCCH_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D NOESY-HCCH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 HNCACB' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D H(CCO)NH-TOCSY' '3D (H)C(CO)NH-TOCSY' '3D HNCO' '3D HBHA(CBCACO)NH' 'GFT (3,2)D HA(CA)CO(N)H' 'GFT (4,3)D NOESY-HCCH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Dph4 _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 2 2 MET HB2 H 2.464 0.007 2 2 2 2 MET HB3 H 2.454 0.007 2 3 2 2 MET HG2 H 1.913 0.007 2 4 2 2 MET HG3 H 1.906 0.007 2 5 2 2 MET C C 175.464 0.01 1 6 2 2 MET CA C 55.600 0.01 1 7 2 2 MET CB C 33.500 0.01 1 8 2 2 MET CG C 32.024 0.01 1 9 3 3 ALA H H 8.369 0.007 1 10 3 3 ALA HA H 4.252 0.007 1 11 3 3 ALA HB H 1.292 0.007 1 12 3 3 ALA C C 177.704 0.01 1 13 3 3 ALA CA C 52.835 0.01 1 14 3 3 ALA CB C 19.667 0.01 1 15 3 3 ALA N N 126.349 0.01 1 16 4 4 VAL H H 8.076 0.007 1 17 4 4 VAL HA H 3.960 0.007 1 18 4 4 VAL HB H 1.963 0.007 1 19 4 4 VAL HG1 H 0.840 0.007 2 20 4 4 VAL HG2 H 0.824 0.007 2 21 4 4 VAL C C 176.389 0.01 1 22 4 4 VAL CA C 63.277 0.01 1 23 4 4 VAL CB C 33.180 0.01 1 24 4 4 VAL CG1 C 20.896 0.01 1 25 4 4 VAL N N 119.687 0.01 1 26 5 5 GLU H H 8.445 0.007 1 27 5 5 GLU HA H 4.160 0.007 1 28 5 5 GLU HB2 H 1.921 0.007 2 29 5 5 GLU HB3 H 1.866 0.007 2 30 5 5 GLU HG2 H 2.155 0.007 1 31 5 5 GLU HG3 H 2.155 0.007 1 32 5 5 GLU C C 176.267 0.01 1 33 5 5 GLU CA C 57.000 0.01 1 34 5 5 GLU CB C 30.300 0.01 1 35 5 5 GLU CG C 36.390 0.01 1 36 5 5 GLU N N 123.943 0.01 1 37 6 6 GLN H H 8.232 0.007 1 38 6 6 GLN HA H 4.269 0.007 1 39 6 6 GLN HB2 H 1.903 0.007 2 40 6 6 GLN HB3 H 1.876 0.007 2 41 6 6 GLN HG2 H 2.034 0.007 2 42 6 6 GLN HG3 H 2.026 0.007 2 43 6 6 GLN C C 175.659 0.01 1 44 6 6 GLN CA C 55.700 0.01 1 45 6 6 GLN CB C 29.800 0.01 1 46 6 6 GLN CG C 34.097 0.01 1 47 6 6 GLN N N 121.062 0.01 1 48 7 7 MET H H 8.256 0.007 1 49 7 7 MET HA H 4.658 0.007 1 50 7 7 MET HB2 H 1.950 0.007 2 51 7 7 MET HB3 H 1.920 0.007 2 52 7 7 MET HG2 H 2.548 0.007 2 53 7 7 MET HG3 H 2.512 0.007 2 54 7 7 MET CA C 54.064 0.01 1 55 7 7 MET CB C 32.700 0.01 1 56 7 7 MET N N 122.914 0.01 1 57 8 8 PRO HA H 4.651 0.007 1 58 8 8 PRO HB2 H 1.942 0.007 2 59 8 8 PRO HB3 H 1.933 0.007 2 60 8 8 PRO HG2 H 1.879 0.007 2 61 8 8 PRO HG3 H 1.872 0.007 2 62 8 8 PRO HD2 H 3.755 0.007 2 63 8 8 PRO HD3 H 3.594 0.007 2 64 8 8 PRO C C 176.340 0.01 1 65 8 8 PRO CA C 63.200 0.01 1 66 8 8 PRO CB C 32.300 0.01 1 67 8 8 PRO CG C 27.872 0.01 1 68 8 8 PRO CD C 51.213 0.01 1 69 9 9 LYS H H 8.318 0.007 1 70 9 9 LYS HA H 4.177 0.007 1 71 9 9 LYS HB2 H 1.669 0.007 2 72 9 9 LYS HB3 H 1.616 0.007 2 73 9 9 LYS HG2 H 1.370 0.007 2 74 9 9 LYS HG3 H 1.312 0.007 2 75 9 9 LYS HD2 H 1.601 0.007 2 76 9 9 LYS HD3 H 1.589 0.007 2 77 9 9 LYS HE2 H 2.895 0.007 2 78 9 9 LYS HE3 H 2.891 0.007 2 79 9 9 LYS C C 176.194 0.01 1 80 9 9 LYS CA C 56.300 0.01 1 81 9 9 LYS CB C 33.180 0.01 1 82 9 9 LYS CG C 24.924 0.01 1 83 9 9 LYS CD C 29.428 0.01 1 84 9 9 LYS CE C 42.286 0.01 1 85 9 9 LYS N N 121.979 0.01 1 86 10 10 LYS H H 7.451 0.007 1 87 10 10 LYS HA H 3.898 0.007 1 88 10 10 LYS HB2 H 0.666 0.007 2 89 10 10 LYS HB3 H 0.332 0.007 2 90 10 10 LYS HG2 H 0.892 0.007 2 91 10 10 LYS HG3 H 0.869 0.007 2 92 10 10 LYS HD2 H 1.310 0.007 2 93 10 10 LYS HD3 H 1.294 0.007 2 94 10 10 LYS CA C 55.292 0.01 1 95 10 10 LYS CB C 33.794 0.01 1 96 10 10 LYS N N 122.615 0.01 1 97 11 11 ASP H H 8.170 0.007 1 98 12 12 TRP H H 6.875 0.007 1 99 12 12 TRP HE1 H 10.127 0.007 1 100 12 12 TRP NE1 N 130.125 0.01 1 101 13 13 TYR H H 7.062 0.007 1 102 13 13 TYR HA H 3.759 0.007 1 103 13 13 TYR HB2 H 3.000 0.007 2 104 13 13 TYR HB3 H 2.850 0.007 2 105 13 13 TYR C C 178.702 0.01 1 106 13 13 TYR CA C 61.900 0.01 1 107 13 13 TYR CB C 36.865 0.01 1 108 14 14 SER H H 7.809 0.007 1 109 14 14 SER HA H 4.207 0.007 1 110 14 14 SER HB2 H 3.871 0.007 2 111 14 14 SER HB3 H 3.861 0.007 2 112 14 14 SER C C 178.872 0.01 1 113 14 14 SER CA C 62.048 0.01 1 114 14 14 SER CB C 63.277 0.01 1 115 14 14 SER N N 115.732 0.01 1 116 15 15 ILE H H 7.770 0.007 1 117 15 15 ILE HA H 3.684 0.007 1 118 15 15 ILE HB H 1.955 0.007 1 119 15 15 ILE HG12 H 1.135 0.007 1 120 15 15 ILE HG13 H 1.135 0.007 1 121 15 15 ILE HG2 H 0.877 0.007 1 122 15 15 ILE HD1 H 0.693 0.007 1 123 15 15 ILE C C 176.998 0.01 1 124 15 15 ILE CA C 65.120 0.01 1 125 15 15 ILE CB C 37.900 0.01 1 126 15 15 ILE CG1 C 30.109 0.01 1 127 15 15 ILE CG2 C 19.053 0.01 1 128 15 15 ILE CD1 C 14.139 0.01 1 129 15 15 ILE N N 124.383 0.01 1 130 16 16 LEU H H 6.929 0.007 1 131 16 16 LEU HA H 4.325 0.007 1 132 16 16 LEU HB2 H 1.821 0.007 2 133 16 16 LEU HB3 H 1.649 0.007 2 134 16 16 LEU HG H 1.627 0.007 1 135 16 16 LEU HD1 H 0.921 0.007 2 136 16 16 LEU HD2 H 0.972 0.007 2 137 16 16 LEU C C 175.975 0.01 1 138 16 16 LEU CA C 54.678 0.01 1 139 16 16 LEU CB C 42.000 0.01 1 140 16 16 LEU CG C 27.135 0.01 1 141 16 16 LEU CD1 C 27.038 0.01 1 142 16 16 LEU CD2 C 24.581 0.01 1 143 16 16 LEU N N 115.592 0.01 1 144 17 17 GLY H H 7.907 0.007 1 145 17 17 GLY HA2 H 3.808 0.007 1 146 17 17 GLY HA3 H 3.807 0.007 1 147 17 17 GLY C C 173.2971 0.01 1 148 17 17 GLY CA C 46.693 0.01 1 149 17 17 GLY N N 108.298 0.01 1 150 18 18 ALA H H 8.239 0.007 1 151 18 18 ALA HA H 4.701 0.007 1 152 18 18 ALA HB H 1.297 0.007 1 153 18 18 ALA C C 177.290 0.01 1 154 18 18 ALA CA C 49.800 0.01 1 155 18 18 ALA CB C 23.500 0.01 1 156 18 18 ALA N N 121.949 0.01 1 157 19 19 ASP H H 8.195 0.007 1 158 19 19 ASP HA H 4.709 0.007 1 159 19 19 ASP HB2 H 2.554 0.007 2 160 19 19 ASP HB3 H 2.423 0.007 2 161 19 19 ASP CA C 52.221 0.01 1 162 19 19 ASP CB C 43.008 0.01 1 163 19 19 ASP N N 120.919 0.01 1 164 20 20 PRO HA H 4.701 0.007 1 165 20 20 PRO HB2 H 1.737 0.007 2 166 20 20 PRO HB3 H 1.734 0.007 2 167 20 20 PRO HG2 H 1.483 0.007 2 168 20 20 PRO HG3 H 1.480 0.007 2 169 20 20 PRO HD2 H 3.571 0.007 2 170 20 20 PRO HD3 H 3.371 0.007 2 171 20 20 PRO C C 176.389 0.01 1 172 20 20 PRO CA C 63.900 0.01 1 173 20 20 PRO CB C 31.700 0.01 1 174 20 20 PRO CD C 50.992 0.01 1 175 21 21 SER H H 8.051 0.007 1 176 21 21 SER HA H 4.248 0.007 1 177 21 21 SER HB2 H 3.874 0.007 2 178 21 21 SER HB3 H 3.675 0.007 2 179 21 21 SER C C 174.636 0.01 1 180 21 21 SER CA C 58.700 0.01 1 181 21 21 SER CB C 63.895 0.01 1 182 21 21 SER N N 113.238 0.01 1 183 22 22 ALA H H 7.864 0.007 1 184 22 22 ALA HA H 4.216 0.007 1 185 22 22 ALA HB H 1.552 0.007 1 186 22 22 ALA C C 177.339 0.01 1 187 22 22 ALA CA C 53.200 0.01 1 188 22 22 ALA CB C 20.000 0.01 1 189 22 22 ALA N N 126.570 0.01 1 190 23 23 ASN H H 8.612 0.007 1 191 23 23 ASN HA H 4.823 0.007 1 192 23 23 ASN HB2 H 3.087 0.007 2 193 23 23 ASN HB3 H 2.886 0.007 2 194 23 23 ASN HD21 H 7.603 0.007 2 195 23 23 ASN HD22 H 6.841 0.007 2 196 23 23 ASN CA C 52.221 0.01 1 197 23 23 ASN CB C 39.937 0.01 1 198 23 23 ASN N N 118.980 0.01 1 199 23 23 ASN ND2 N 113.358 0.01 1 200 24 24 ILE H H 8.279 0.007 1 201 24 24 ILE HA H 3.893 0.007 1 202 24 24 ILE HB H 1.852 0.007 1 203 24 24 ILE HG12 H 1.434 0.007 1 204 24 24 ILE HG13 H 1.434 0.007 1 205 24 24 ILE HG2 H 1.016 0.007 1 206 24 24 ILE HD1 H 0.819 0.007 1 207 24 24 ILE CA C 65.734 0.01 1 208 24 24 ILE CB C 38.094 0.01 1 209 24 24 ILE CG1 C 30.109 0.01 1 210 24 24 ILE CG2 C 18.439 0.01 1 211 24 24 ILE CD1 C 13.525 0.01 1 212 26 26 ASP HB2 H 2.847 0.007 2 213 26 26 ASP HB3 H 2.699 0.007 2 214 26 26 ASP C C 179.189 0.01 1 215 26 26 ASP CB C 41.779 0.01 1 216 27 27 LEU H H 8.279 0.007 1 217 27 27 LEU HA H 3.852 0.007 1 218 27 27 LEU HB2 H 2.269 0.007 2 219 27 27 LEU HB3 H 1.382 0.007 2 220 27 27 LEU HG H 0.853 0.007 1 221 27 27 LEU HD1 H 0.870 0.007 2 222 27 27 LEU HD2 H 0.803 0.007 2 223 27 27 LEU C C 177.826 0.01 1 224 27 27 LEU CA C 58.400 0.01 1 225 27 27 LEU CB C 42.393 0.01 1 226 27 27 LEU CG C 27.038 0.01 1 227 27 27 LEU CD1 C 24.581 0.01 1 228 27 27 LEU CD2 C 24.581 0.01 1 229 27 27 LEU N N 120.032 0.01 1 230 28 28 LYS H H 8.638 0.007 1 231 28 28 LYS HA H 4.229 0.007 1 232 28 28 LYS HB2 H 1.988 0.007 2 233 28 28 LYS HB3 H 1.943 0.007 2 234 28 28 LYS HG2 H 1.846 0.007 2 235 28 28 LYS HG3 H 1.794 0.007 2 236 28 28 LYS HD2 H 1.688 0.007 1 237 28 28 LYS HD3 H 1.688 0.007 1 238 28 28 LYS HE2 H 2.935 0.007 1 239 28 28 LYS HE3 H 2.935 0.007 1 240 28 28 LYS C C 178.337 0.01 1 241 28 28 LYS CA C 59.900 0.01 1 242 28 28 LYS CB C 32.400 0.01 1 243 28 28 LYS CG C 25.195 0.01 1 244 28 28 LYS CD C 26.562 0.01 1 245 28 28 LYS CE C 42.220 0.01 1 246 28 28 LYS N N 119.895 0.01 1 247 29 29 GLN H H 7.383 0.007 1 248 29 29 GLN HA H 3.954 0.007 1 249 29 29 GLN HB2 H 2.175 0.007 2 250 29 29 GLN HB3 H 2.164 0.007 2 251 29 29 GLN HG2 H 2.548 0.007 2 252 29 29 GLN HG3 H 2.362 0.007 2 253 29 29 GLN C C 179.238 0.01 1 254 29 29 GLN CA C 59.000 0.01 1 255 29 29 GLN CB C 28.600 0.01 1 256 29 29 GLN CG C 34.588 0.01 1 257 29 29 GLN N N 116.723 0.01 1 258 30 30 LYS H H 7.726 0.007 1 259 30 30 LYS HA H 3.951 0.007 1 260 30 30 LYS HB2 H 1.878 0.007 2 261 30 30 LYS HB3 H 1.918 0.007 2 262 30 30 LYS HG2 H 1.447 0.007 2 263 30 30 LYS HG3 H 1.461 0.007 2 264 30 30 LYS HD2 H 1.567 0.007 2 265 30 30 LYS HD3 H 1.579 0.007 2 266 30 30 LYS C C 171.983 0.01 1 267 30 30 LYS CA C 59.592 0.01 1 268 30 30 LYS CB C 32.600 0.01 1 269 30 30 LYS CG C 24.678 0.01 1 270 30 30 LYS N N 120.084 0.01 1 271 31 31 TYR H H 8.503 0.007 1 272 31 31 TYR HA H 3.827 0.007 1 273 31 31 TYR HB2 H 2.539 0.007 2 274 31 31 TYR HB3 H 2.327 0.007 2 275 31 31 TYR C C 175.683 0.01 1 276 31 31 TYR CA C 61.400 0.01 1 277 31 31 TYR CB C 38.300 0.01 1 278 31 31 TYR N N 120.211 0.01 1 279 32 32 GLN H H 8.164 0.007 1 280 32 32 GLN HA H 3.970 0.007 1 281 32 32 GLN HB2 H 2.207 0.007 2 282 32 32 GLN HB3 H 2.102 0.007 2 283 32 32 GLN HG2 H 2.915 0.007 2 284 32 32 GLN HG3 H 3.017 0.007 2 285 32 32 GLN C C 178.605 0.01 1 286 32 32 GLN CA C 59.000 0.01 1 287 32 32 GLN CB C 28.200 0.01 1 288 32 32 GLN CG C 35.161 0.01 1 289 32 32 GLN N N 116.180 0.01 1 290 33 33 LYS H H 7.389 0.007 1 291 33 33 LYS HA H 3.950 0.007 1 292 33 33 LYS HB2 H 1.821 0.007 1 293 33 33 LYS HB3 H 1.821 0.007 1 294 33 33 LYS HG2 H 1.478 0.007 2 295 33 33 LYS HG3 H 1.330 0.007 2 296 33 33 LYS HD2 H 1.584 0.007 1 297 33 33 LYS HD3 H 1.584 0.007 1 298 33 33 LYS HE2 H 2.547 0.007 2 299 33 33 LYS HE3 H 2.360 0.007 2 300 33 33 LYS C C 178.872 0.01 1 301 33 33 LYS CA C 58.997 0.01 1 302 33 33 LYS CB C 32.500 0.01 1 303 33 33 LYS CG C 25.809 0.01 1 304 33 33 LYS N N 117.820 0.01 1 305 34 34 LEU H H 7.895 0.007 1 306 34 34 LEU HA H 4.066 0.007 1 307 34 34 LEU HB2 H 1.662 0.007 2 308 34 34 LEU HB3 H 1.502 0.007 2 309 34 34 LEU HG H 1.453 0.007 1 310 34 34 LEU HD1 H 0.973 0.007 2 311 34 34 LEU HD2 H 0.762 0.007 2 312 34 34 LEU C C 179.530 0.01 1 313 34 34 LEU CA C 58.200 0.01 1 314 34 34 LEU CB C 42.116 0.01 1 315 34 34 LEU CD1 C 23.967 0.01 1 316 34 34 LEU CD2 C 23.967 0.01 1 317 34 34 LEU N N 120.590 0.01 1 318 35 35 ILE H H 8.231 0.007 1 319 35 35 ILE HA H 3.886 0.007 1 320 35 35 ILE HB H 1.564 0.007 1 321 35 35 ILE HG12 H 0.949 0.007 1 322 35 35 ILE HG13 H 0.949 0.007 1 323 35 35 ILE HG2 H 0.563 0.007 1 324 35 35 ILE HD1 H 0.486 0.007 1 325 35 35 ILE C C 177.704 0.01 1 326 35 35 ILE CA C 63.277 0.01 1 327 35 35 ILE CB C 37.200 0.01 1 328 35 35 ILE CG1 C 27.652 0.01 1 329 35 35 ILE CG2 C 18.439 0.01 1 330 35 35 ILE CD1 C 13.525 0.01 1 331 35 35 ILE N N 117.674 0.01 1 332 36 36 LEU H H 6.820 0.007 1 333 36 36 LEU HA H 4.034 0.007 1 334 36 36 LEU HB2 H 1.674 0.007 2 335 36 36 LEU HB3 H 1.468 0.007 2 336 36 36 LEU HG H 1.453 0.007 1 337 36 36 LEU HD1 H 0.799 0.007 2 338 36 36 LEU HD2 H 0.736 0.007 2 339 36 36 LEU C C 178.751 0.01 1 340 36 36 LEU CA C 57.200 0.01 1 341 36 36 LEU CB C 42.393 0.01 1 342 36 36 LEU CG C 26.972 0.01 1 343 36 36 LEU CD1 C 25.252 0.01 1 344 36 36 LEU CD2 C 23.614 0.01 1 345 36 36 LEU N N 118.756 0.01 1 346 37 37 MET H H 7.347 0.007 1 347 37 37 MET HA H 3.961 0.007 1 348 37 37 MET HB2 H 1.811 0.007 2 349 37 37 MET HB3 H 1.591 0.007 2 350 37 37 MET HG2 H 2.224 0.007 2 351 37 37 MET HG3 H 1.963 0.007 2 352 37 37 MET C C 177.266 0.01 1 353 37 37 MET CA C 58.363 0.01 1 354 37 37 MET CB C 33.500 0.01 1 355 37 37 MET CG C 31.803 0.01 1 356 37 37 MET N N 116.727 0.01 1 357 38 38 TYR H H 7.652 0.007 1 358 38 38 TYR HA H 4.518 0.007 1 359 38 38 TYR HB2 H 3.356 0.007 2 360 38 38 TYR HB3 H 2.476 0.007 2 361 38 38 TYR C C 173.833 0.01 1 362 38 38 TYR CA C 58.300 0.01 1 363 38 38 TYR CB C 39.322 0.01 1 364 38 38 TYR N N 114.588 0.01 1 365 39 39 HIS H H 7.539 0.007 1 366 39 39 HIS HA H 4.527 0.007 1 367 39 39 HIS HB2 H 3.179 0.007 1 368 39 39 HIS HB3 H 3.179 0.007 1 369 39 39 HIS CA C 56.200 0.01 1 370 39 39 HIS CB C 31.000 0.01 1 371 39 39 HIS N N 121.048 0.01 1 372 40 40 PRO HA H 4.121 0.007 1 373 40 40 PRO HB2 H 2.260 0.007 2 374 40 40 PRO HB3 H 2.117 0.007 2 375 40 40 PRO HG2 H 1.515 0.007 2 376 40 40 PRO HG3 H 1.520 0.007 2 377 40 40 PRO HD2 H 2.803 0.007 2 378 40 40 PRO HD3 H 2.175 0.007 2 379 40 40 PRO CD C 50.378 0.01 1 380 41 41 ASP H H 7.887 0.007 1 381 41 41 ASP HA H 4.452 0.007 1 382 41 41 ASP HB2 H 2.898 0.007 2 383 41 41 ASP HB3 H 2.893 0.007 2 384 41 41 ASP C C 177.655 0.01 1 385 41 41 ASP CA C 55.906 0.01 1 386 41 41 ASP CB C 41.779 0.01 1 387 42 42 LYS H H 7.665 0.007 1 388 42 42 LYS HA H 4.093 0.007 1 389 42 42 LYS HB2 H 1.775 0.007 1 390 42 42 LYS HB3 H 1.775 0.007 1 391 42 42 LYS HG2 H 1.532 0.007 1 392 42 42 LYS HG3 H 1.532 0.007 1 393 42 42 LYS HD2 H 1.733 0.007 1 394 42 42 LYS HD3 H 1.733 0.007 1 395 42 42 LYS HE2 H 2.508 0.007 1 396 42 42 LYS HE3 H 2.508 0.007 1 397 42 42 LYS CA C 57.900 0.01 1 398 42 42 LYS CB C 28.684 0.01 1 399 42 42 LYS N N 119.461 0.01 1 400 43 43 GLN H H 7.893 0.007 1 401 43 43 GLN HA H 4.229 0.007 1 402 43 43 GLN HB2 H 1.940 0.007 2 403 43 43 GLN HB3 H 1.952 0.007 2 404 43 43 GLN HG2 H 2.255 0.007 1 405 43 43 GLN HG3 H 2.254 0.007 1 406 43 43 GLN C C 177.412 0.01 1 407 43 43 GLN CA C 55.906 0.01 1 408 43 43 GLN CB C 29.500 0.01 1 409 43 43 GLN CG C 33.794 0.01 1 410 44 44 SER H H 8.313 0.007 1 411 44 44 SER HA H 4.417 0.007 1 412 44 44 SER HB2 H 3.882 0.007 2 413 44 44 SER HB3 H 3.786 0.007 2 414 44 44 SER CA C 58.400 0.01 1 415 44 44 SER CB C 63.891 0.01 1 416 44 44 SER N N 116.727 0.01 1 417 45 45 THR H H 8.210 0.007 1 418 45 45 THR HA H 4.220 0.007 1 419 45 45 THR HB H 4.233 0.007 1 420 45 45 THR HG2 H 1.130 0.007 1 421 45 45 THR C C 177.266 0.01 1 422 45 45 THR CA C 62.663 0.01 1 423 45 45 THR CB C 69.419 0.01 1 424 45 45 THR CG2 C 22.124 0.01 1 425 46 46 ASP H H 8.195 0.007 1 426 46 46 ASP HA H 4.525 0.007 1 427 46 46 ASP HB2 H 2.604 0.007 2 428 46 46 ASP HB3 H 2.524 0.007 2 429 46 46 ASP C C 175.634 0.01 1 430 46 46 ASP CA C 54.500 0.01 1 431 46 46 ASP CB C 40.551 0.01 1 432 46 46 ASP N N 120.556 0.01 1 433 47 47 VAL H H 7.574 0.007 1 434 47 47 VAL HA H 4.325 0.007 1 435 47 47 VAL HB H 1.994 0.007 1 436 47 47 VAL HG1 H 0.875 0.007 2 437 47 47 VAL HG2 H 0.824 0.007 2 438 47 47 VAL CA C 60.206 0.01 1 439 47 47 VAL CB C 32.700 0.01 1 440 47 47 VAL CG1 C 21.510 0.01 1 441 47 47 VAL CG2 C 20.281 0.01 1 442 47 47 VAL N N 119.398 0.01 1 443 48 48 PRO HA H 4.311 0.007 1 444 48 48 PRO HB2 H 1.933 0.007 2 445 48 48 PRO HB3 H 1.922 0.007 2 446 48 48 PRO HG2 H 1.881 0.007 2 447 48 48 PRO HG3 H 1.872 0.007 2 448 48 48 PRO HD2 H 3.749 0.007 2 449 48 48 PRO HD3 H 3.539 0.007 2 450 48 48 PRO C C 176.073 0.01 1 451 48 48 PRO CA C 63.300 0.01 1 452 48 48 PRO CB C 32.300 0.01 1 453 48 48 PRO CG C 27.954 0.01 1 454 48 48 PRO CD C 51.039 0.01 1 455 49 49 ALA H H 8.521 0.007 1 456 49 49 ALA HA H 4.153 0.007 1 457 49 49 ALA HB H 1.333 0.007 1 458 49 49 ALA C C 175.196 0.01 1 459 49 49 ALA CA C 53.900 0.01 1 460 49 49 ALA CB C 19.100 0.01 1 461 49 49 ALA N N 125.477 0.01 1 462 50 50 GLY H H 8.317 0.007 1 463 50 50 GLY HA2 H 3.990 0.007 2 464 50 50 GLY HA3 H 3.895 0.007 2 465 50 50 GLY C C 174.831 0.01 1 466 50 50 GLY CA C 45.800 0.01 1 467 50 50 GLY N N 107.400 0.01 1 468 51 51 THR H H 7.968 0.007 1 469 51 51 THR HA H 4.296 0.007 1 470 51 51 THR HB H 4.306 0.007 1 471 51 51 THR HG2 H 1.185 0.007 1 472 51 51 THR C C 175.586 0.01 1 473 51 51 THR CA C 63.277 0.01 1 474 51 51 THR CB C 70.648 0.01 1 475 51 51 THR CG2 C 22.140 0.01 1 476 51 51 THR N N 115.086 0.01 1 477 52 52 VAL H H 8.300 0.007 1 478 52 52 VAL HA H 3.709 0.007 1 479 52 52 VAL HB H 2.026 0.007 1 480 52 52 VAL HG1 H 0.921 0.007 2 481 52 52 VAL HG2 H 0.871 0.007 2 482 52 52 VAL C C 177.533 0.01 1 483 52 52 VAL CA C 66.348 0.01 1 484 52 52 VAL CB C 31.700 0.01 1 485 52 52 VAL CG1 C 22.068 0.01 1 486 52 52 VAL CG2 C 21.510 0.01 1 487 52 52 VAL N N 123.039 0.01 1 488 53 53 GLU H H 8.455 0.007 1 489 53 53 GLU HA H 4.005 0.007 1 490 53 53 GLU HB2 H 2.147 0.007 2 491 53 53 GLU HB3 H 2.000 0.007 2 492 53 53 GLU HG2 H 2.223 0.007 2 493 53 53 GLU HG3 H 2.237 0.007 2 494 53 53 GLU C C 179.335 0.01 1 495 53 53 GLU CA C 59.600 0.01 1 496 53 53 GLU CB C 29.500 0.01 1 497 53 53 GLU CG C 36.963 0.01 1 498 53 53 GLU N N 120.139 0.01 1 499 54 54 GLU H H 7.913 0.007 1 500 54 54 GLU HA H 3.994 0.007 1 501 54 54 GLU HB2 H 2.160 0.007 2 502 54 54 GLU HB3 H 1.896 0.007 2 503 54 54 GLU HG2 H 2.252 0.007 2 504 54 54 GLU HG3 H 2.283 0.007 2 505 54 54 GLU C C 178.726 0.01 1 506 54 54 GLU CA C 58.997 0.01 1 507 54 54 GLU CB C 30.000 0.01 1 508 54 54 GLU CG C 36.635 0.01 1 509 54 54 GLU N N 120.373 0.01 1 510 55 55 CYS H H 8.218 0.007 1 511 55 55 CYS HA H 4.142 0.007 1 512 55 55 CYS HB2 H 3.102 0.007 2 513 55 55 CYS HB3 H 3.120 0.007 2 514 55 55 CYS C C 174.880 0.01 1 515 55 55 CYS CA C 63.277 0.01 1 516 55 55 CYS CB C 26.900 0.01 1 517 55 55 CYS N N 118.954 0.01 1 518 56 56 VAL H H 8.169 0.007 1 519 56 56 VAL HA H 3.668 0.007 1 520 56 56 VAL HB H 2.087 0.007 1 521 56 56 VAL HG1 H 0.983 0.007 2 522 56 56 VAL HG2 H 0.918 0.007 2 523 56 56 VAL CA C 66.962 0.01 1 524 56 56 VAL CB C 32.000 0.01 1 525 56 56 VAL CG1 C 23.353 0.01 1 526 56 56 VAL CG2 C 21.510 0.01 1 527 56 56 VAL N N 120.955 0.01 1 528 57 57 GLN HB2 H 2.058 0.007 2 529 57 57 GLN HB3 H 2.033 0.007 2 530 57 57 GLN HG2 H 2.354 0.007 2 531 57 57 GLN HG3 H 2.163 0.007 2 532 57 57 GLN C C 177.558 0.01 1 533 57 57 GLN CB C 27.533 0.01 1 534 58 58 LYS H H 7.725 0.007 1 535 58 58 LYS HB2 H 1.560 0.007 1 536 58 58 LYS HB3 H 1.560 0.007 1 537 58 58 LYS HD2 H 1.691 0.007 1 538 58 58 LYS HD3 H 1.691 0.007 1 539 58 58 LYS HE2 H 2.912 0.007 1 540 58 58 LYS HE3 H 2.912 0.007 1 541 58 58 LYS N N 117.848 0.01 1 542 60 60 ILE H H 7.986 0.007 1 543 60 60 ILE HA H 3.927 0.007 1 544 60 60 ILE HB H 1.671 0.007 1 545 60 60 ILE HG12 H 0.955 0.007 1 546 60 60 ILE HG13 H 0.955 0.007 1 547 60 60 ILE HG2 H 0.891 0.007 1 548 60 60 ILE HD1 H 0.702 0.007 1 549 60 60 ILE C C 178.824 0.01 1 550 60 60 ILE CA C 62.048 0.01 1 551 60 60 ILE CB C 38.708 0.01 1 552 60 60 ILE CG1 C 30.109 0.01 1 553 60 60 ILE CD1 C 15.982 0.01 1 554 61 61 GLU H H 7.299 0.007 1 555 61 61 GLU HA H 4.086 0.007 1 556 61 61 GLU HB2 H 1.924 0.007 2 557 61 61 GLU HB3 H 1.905 0.007 2 558 61 61 GLU HG2 H 2.042 0.007 2 559 61 61 GLU HG3 H 2.031 0.007 2 560 61 61 GLU CA C 56.700 0.01 1 561 61 61 GLU CB C 30.400 0.01 1 562 61 61 GLU CG C 36.390 0.01 1 563 61 61 GLU N N 117.335 0.01 1 564 62 62 ILE H H 8.038 0.007 1 565 62 62 ILE HA H 3.541 0.007 1 566 62 62 ILE HB H 1.772 0.007 1 567 62 62 ILE HG12 H 1.157 0.007 1 568 62 62 ILE HG13 H 1.157 0.007 1 569 62 62 ILE HG2 H 0.850 0.007 1 570 62 62 ILE HD1 H 0.798 0.007 1 571 62 62 ILE C C 177.387 0.01 1 572 62 62 ILE CA C 65.734 0.01 1 573 62 62 ILE CB C 38.094 0.01 1 574 62 62 ILE CG1 C 29.495 0.01 1 575 62 62 ILE CG2 C 17.210 0.01 1 576 62 62 ILE CD1 C 14.139 0.01 1 577 63 63 ASP H H 9.170 0.007 1 578 63 63 ASP HA H 4.227 0.007 1 579 63 63 ASP HB2 H 2.735 0.007 2 580 63 63 ASP HB3 H 2.529 0.007 2 581 63 63 ASP C C 178.994 0.01 1 582 63 63 ASP CA C 57.749 0.01 1 583 63 63 ASP CB C 40.000 0.01 1 584 63 63 ASP N N 120.531 0.01 1 585 64 64 GLN H H 7.974 0.007 1 586 64 64 GLN HA H 3.518 0.007 1 587 64 64 GLN HB2 H 2.102 0.007 2 588 64 64 GLN HB3 H 2.085 0.007 2 589 64 64 GLN HG2 H 2.245 0.007 2 590 64 64 GLN HG3 H 2.406 0.007 2 591 64 64 GLN HE21 H 7.217 0.007 2 592 64 64 GLN HE22 H 6.799 0.007 2 593 64 64 GLN C C 178.653 0.01 1 594 64 64 GLN CA C 58.900 0.01 1 595 64 64 GLN CB C 28.400 0.01 1 596 64 64 GLN N N 118.970 0.01 1 597 64 64 GLN NE2 N 110.817 0.01 1 598 65 65 ALA H H 8.111 0.007 1 599 65 65 ALA HA H 4.389 0.007 1 600 65 65 ALA HB H 1.653 0.007 1 601 65 65 ALA C C 179.213 0.01 1 602 65 65 ALA CA C 54.900 0.01 1 603 65 65 ALA CB C 19.500 0.01 1 604 65 65 ALA N N 121.648 0.01 1 605 66 66 TRP H H 7.926 0.007 1 606 66 66 TRP HA H 4.175 0.007 1 607 66 66 TRP HB2 H 2.609 0.007 2 608 66 66 TRP HB3 H 2.594 0.007 2 609 66 66 TRP HE1 H 9.428 0.007 1 610 66 66 TRP C C 178.069 0.01 1 611 66 66 TRP CA C 57.900 0.01 1 612 66 66 TRP CB C 31.300 0.01 1 613 66 66 TRP N N 117.001 0.01 1 614 66 66 TRP NE1 N 126.411 0.01 1 615 67 67 LYS H H 7.758 0.007 1 616 67 67 LYS HA H 4.142 0.007 1 617 67 67 LYS HB2 H 1.529 0.007 2 618 67 67 LYS HB3 H 1.537 0.007 2 619 67 67 LYS HG2 H 1.071 0.007 2 620 67 67 LYS HG3 H 1.081 0.007 2 621 67 67 LYS HD2 H 1.251 0.007 2 622 67 67 LYS HD3 H 1.262 0.007 2 623 67 67 LYS HE2 H 3.303 0.007 2 624 67 67 LYS HE3 H 3.322 0.007 2 625 67 67 LYS C C 177.874 0.01 1 626 67 67 LYS CA C 59.300 0.01 1 627 67 67 LYS N N 121.648 0.01 1 628 68 68 ILE H H 6.648 0.007 1 629 68 68 ILE HA H 3.449 0.007 1 630 68 68 ILE HB H 0.774 0.007 1 631 68 68 ILE HG12 H 0.647 0.007 1 632 68 68 ILE HG13 H 0.647 0.007 1 633 68 68 ILE HG2 H 0.193 0.007 1 634 68 68 ILE HD1 H 0.046 0.007 1 635 68 68 ILE C C 177.168 0.01 1 636 68 68 ILE CA C 61.819 0.01 1 637 68 68 ILE CB C 36.990 0.01 1 638 68 68 ILE CG1 C 27.038 0.01 1 639 68 68 ILE CG2 C 16.596 0.01 1 640 68 68 ILE CD1 C 10.454 0.01 1 641 68 68 ILE N N 116.180 0.01 1 642 69 69 LEU H H 7.951 0.007 1 643 69 69 LEU HA H 3.571 0.007 1 644 69 69 LEU HB2 H 1.273 0.007 2 645 69 69 LEU HB3 H 1.058 0.007 2 646 69 69 LEU HG H 0.850 0.007 1 647 69 69 LEU HD1 H 0.094 0.007 2 648 69 69 LEU HD2 H 0.361 0.007 2 649 69 69 LEU CA C 56.520 0.01 1 650 69 69 LEU CB C 42.393 0.01 1 651 69 69 LEU CD1 C 25.809 0.01 1 652 69 69 LEU CD2 C 23.353 0.01 1 653 69 69 LEU N N 115.090 0.01 1 654 70 70 GLY H H 7.282 0.007 1 655 70 70 GLY HA2 H 3.568 0.007 1 656 70 70 GLY HA3 H 3.568 0.007 1 657 70 70 GLY C C 172.932 0.01 1 658 70 70 GLY CA C 43.622 0.01 1 659 71 71 ASN H H 6.220 0.007 1 660 71 71 ASN HA H 4.574 0.007 1 661 71 71 ASN HB2 H 2.829 0.007 2 662 71 71 ASN HB3 H 2.406 0.007 2 663 71 71 ASN HD21 H 7.424 0.007 2 664 71 71 ASN HD22 H 6.927 0.007 2 665 71 71 ASN CA C 54.607 0.01 1 666 71 71 ASN CB C 41.200 0.01 1 667 71 71 ASN N N 117.830 0.01 1 668 71 71 ASN ND2 N 114.114 0.01 1 669 72 72 GLU H H 8.166 0.007 1 670 72 72 GLU HA H 4.386 0.007 1 671 72 72 GLU HB2 H 1.950 0.007 2 672 72 72 GLU HB3 H 1.926 0.007 2 673 72 72 GLU HG2 H 2.569 0.007 2 674 72 72 GLU HG3 H 2.544 0.007 2 675 72 72 GLU C C 176.316 0.01 1 676 72 72 GLU CA C 56.600 0.01 1 677 72 72 GLU CB C 30.400 0.01 1 678 72 72 GLU CG C 36.390 0.01 1 679 73 73 GLU H H 8.319 0.007 1 680 73 73 GLU HA H 4.215 0.007 1 681 73 73 GLU HB2 H 2.048 0.007 2 682 73 73 GLU HB3 H 2.014 0.007 2 683 73 73 GLU HG2 H 2.196 0.007 2 684 73 73 GLU HG3 H 2.185 0.007 2 685 73 73 GLU C C 174.149 0.01 1 686 73 73 GLU CA C 57.500 0.01 1 687 73 73 GLU CB C 29.900 0.01 1 688 73 73 GLU CG C 35.218 0.01 1 689 73 73 GLU N N 121.914 0.01 1 690 74 74 THR H H 7.583 0.007 1 691 74 74 THR HA H 4.054 0.007 1 692 74 74 THR HB H 4.164 0.007 1 693 74 74 THR HG2 H 1.091 0.007 1 694 74 74 THR C C 175.683 0.01 1 695 74 74 THR CA C 65.120 0.01 1 696 74 74 THR CB C 68.191 0.01 1 697 74 74 THR CG2 C 22.738 0.01 1 698 74 74 THR N N 111.038 0.01 1 699 75 75 LYS H H 8.254 0.007 1 700 75 75 LYS HB2 H 1.872 0.007 1 701 75 75 LYS HB3 H 1.872 0.007 1 702 75 75 LYS HG2 H 1.398 0.007 1 703 75 75 LYS HG3 H 1.398 0.007 1 704 75 75 LYS HD2 H 1.854 0.007 1 705 75 75 LYS HD3 H 1.854 0.007 1 706 75 75 LYS HE2 H 2.872 0.007 1 707 75 75 LYS HE3 H 2.872 0.007 1 708 75 75 LYS C C 177.071 0.01 1 709 75 75 LYS CA C 62.400 0.01 1 710 75 75 LYS CB C 33.000 0.01 1 711 75 75 LYS CG C 20.911 0.01 1 712 75 75 LYS CD C 27.921 0.01 1 713 75 75 LYS CE C 40.157 0.01 1 714 75 75 LYS N N 122.742 0.01 1 715 76 76 ARG H H 8.550 0.007 1 716 76 76 ARG HB2 H 1.865 0.007 1 717 76 76 ARG HB3 H 1.865 0.007 1 718 76 76 ARG HG2 H 1.547 0.007 1 719 76 76 ARG HG3 H 1.547 0.007 1 720 76 76 ARG HD2 H 3.091 0.007 1 721 76 76 ARG HD3 H 3.091 0.007 1 722 76 76 ARG CA C 56.800 0.01 1 723 76 76 ARG CB C 30.400 0.01 1 724 76 76 ARG N N 124.930 0.01 1 725 77 77 GLU HA H 3.883 0.007 1 726 77 77 GLU HB2 H 2.031 0.007 1 727 77 77 GLU HB3 H 2.031 0.007 1 728 77 77 GLU HG2 H 2.298 0.007 2 729 77 77 GLU HG3 H 2.266 0.007 2 730 77 77 GLU C C 177.168 0.01 1 731 77 77 GLU CG C 35.023 0.01 1 732 78 78 TYR H H 8.305 0.007 1 733 78 78 TYR HA H 4.313 0.007 1 734 78 78 TYR HB2 H 3.106 0.007 2 735 78 78 TYR HB3 H 2.975 0.007 2 736 78 78 TYR C C 177.314 0.01 1 737 78 78 TYR CA C 62.500 0.01 1 738 78 78 TYR CB C 38.708 0.01 1 739 78 78 TYR N N 116.727 0.01 1 740 79 79 ASP H H 7.926 0.007 1 741 79 79 ASP HB2 H 2.673 0.007 2 742 79 79 ASP HB3 H 2.680 0.007 2 743 79 79 ASP C C 177.996 0.01 1 744 79 79 ASP CA C 57.400 0.01 1 745 79 79 ASP CB C 41.284 0.01 1 746 79 79 ASP N N 123.116 0.01 1 747 80 80 LEU H H 7.996 0.007 1 748 80 80 LEU HA H 4.055 0.007 1 749 80 80 LEU HB2 H 1.665 0.007 2 750 80 80 LEU HB3 H 1.573 0.007 2 751 80 80 LEU HG H 1.573 0.007 1 752 80 80 LEU HD1 H 0.868 0.007 2 753 80 80 LEU HD2 H 0.703 0.007 2 754 80 80 LEU CB C 42.100 0.01 1 755 80 80 LEU N N 120.866 0.01 1 756 81 81 GLN H H 7.539 0.007 1 757 81 81 GLN HA H 4.180 0.007 1 758 81 81 GLN HB2 H 2.359 0.007 2 759 81 81 GLN HB3 H 2.128 0.007 2 760 81 81 GLN HG2 H 2.038 0.007 1 761 81 81 GLN HG3 H 2.038 0.007 1 762 81 81 GLN HE21 H 6.855 0.007 2 763 81 81 GLN HE22 H 6.697 0.007 2 764 81 81 GLN C C 177.874 0.01 1 765 81 81 GLN CA C 60.206 0.01 1 766 81 81 GLN CB C 29.600 0.01 1 767 81 81 GLN CG C 34.178 0.01 1 768 81 81 GLN NE2 N 110.426 0.01 1 769 82 82 ARG H H 7.699 0.007 1 770 82 82 ARG HA H 4.102 0.007 1 771 82 82 ARG HB2 H 1.897 0.007 1 772 82 82 ARG HB3 H 1.897 0.007 1 773 82 82 ARG HG2 H 1.570 0.007 2 774 82 82 ARG HG3 H 1.515 0.007 2 775 82 82 ARG HD2 H 3.178 0.007 1 776 82 82 ARG HD3 H 3.178 0.007 1 777 82 82 ARG C C 178.434 0.01 1 778 82 82 ARG CB C 29.800 0.01 1 779 82 82 ARG N N 117.820 0.01 1 780 83 83 CYS H H 8.315 0.007 1 781 83 83 CYS HA H 4.280 0.007 1 782 83 83 CYS HB2 H 2.908 0.007 2 783 83 83 CYS HB3 H 2.894 0.007 2 784 83 83 CYS C C 176.681 0.01 1 785 83 83 CYS CA C 60.820 0.01 1 786 83 83 CYS CB C 27.652 0.01 1 787 83 83 CYS N N 120.008 0.01 1 788 84 84 GLU H H 8.023 0.007 1 789 84 84 GLU HB2 H 1.761 0.007 2 790 84 84 GLU HB3 H 1.751 0.007 2 791 84 84 GLU HG2 H 1.891 0.007 2 792 84 84 GLU HG3 H 1.878 0.007 2 793 84 84 GLU C C 176.316 0.01 1 794 84 84 GLU CA C 57.900 0.01 1 795 84 84 GLU CB C 29.800 0.01 1 796 84 84 GLU CG C 36.390 0.01 1 797 84 84 GLU N N 119.461 0.01 1 798 85 85 ASP H H 8.199 0.007 1 799 85 85 ASP HA H 4.406 0.007 1 800 85 85 ASP HB2 H 2.586 0.007 2 801 85 85 ASP HB3 H 2.569 0.007 2 802 85 85 ASP C C 176.779 0.01 1 803 85 85 ASP CA C 59.900 0.01 1 804 85 85 ASP CB C 41.100 0.01 1 805 85 85 ASP N N 120.639 0.01 1 806 86 86 ASP H H 8.038 0.007 1 807 86 86 ASP HA H 4.429 0.007 1 808 86 86 ASP HB2 H 2.613 0.007 2 809 86 86 ASP HB3 H 2.596 0.007 2 810 86 86 ASP C C 177.168 0.01 1 811 86 86 ASP CA C 55.600 0.01 1 812 86 86 ASP CB C 41.000 0.01 1 813 86 86 ASP N N 120.261 0.01 1 814 87 87 LEU H H 7.919 0.007 1 815 87 87 LEU HA H 4.118 0.007 1 816 87 87 LEU HB2 H 1.601 0.007 2 817 87 87 LEU HB3 H 1.614 0.007 2 818 87 87 LEU HG H 1.515 0.007 1 819 87 87 LEU HD1 H 0.768 0.007 2 820 87 87 LEU HD2 H 0.764 0.007 2 821 87 87 LEU C C 177.972 0.01 1 822 87 87 LEU CA C 56.000 0.01 1 823 87 87 LEU CB C 41.900 0.01 1 824 87 87 LEU CG C 27.135 0.01 1 825 87 87 LEU CD1 C 25.252 0.01 1 826 87 87 LEU CD2 C 23.967 0.01 1 827 87 87 LEU N N 121.352 0.01 1 828 88 88 ARG H H 7.927 0.007 1 829 88 88 ARG HA H 4.109 0.007 1 830 88 88 ARG HB2 H 1.750 0.007 2 831 88 88 ARG HB3 H 1.700 0.007 2 832 88 88 ARG HG2 H 1.575 0.007 2 833 88 88 ARG HG3 H 1.531 0.007 2 834 88 88 ARG HD2 H 3.104 0.007 2 835 88 88 ARG HD3 H 3.091 0.007 2 836 88 88 ARG C C 176.730 0.01 1 837 88 88 ARG CA C 57.200 0.01 1 838 88 88 ARG CB C 30.723 0.01 1 839 88 88 ARG CG C 27.652 0.01 1 840 88 88 ARG CD C 43.622 0.01 1 841 88 88 ARG N N 119.563 0.01 1 842 89 89 ASN H H 8.035 0.007 1 843 89 89 ASN HA H 4.602 0.007 1 844 89 89 ASN HB2 H 2.720 0.007 2 845 89 89 ASN HB3 H 2.651 0.007 2 846 89 89 ASN HD21 H 7.554 0.007 2 847 89 89 ASN HD22 H 6.731 0.007 2 848 89 89 ASN C C 176.560 0.01 1 849 89 89 ASN CA C 53.700 0.01 1 850 89 89 ASN CB C 39.322 0.01 1 851 89 89 ASN N N 118.914 0.01 1 852 89 89 ASN ND2 N 112.446 0.01 1 853 90 90 VAL H H 7.812 0.007 1 854 90 90 VAL HA H 4.078 0.007 1 855 90 90 VAL HB H 2.002 0.007 1 856 90 90 VAL HG1 H 0.792 0.007 2 857 90 90 VAL HG2 H 0.755 0.007 2 858 90 90 VAL C C 176.048 0.01 1 859 90 90 VAL CA C 62.600 0.01 1 860 90 90 VAL CB C 32.800 0.01 1 861 90 90 VAL CG1 C 20.984 0.01 1 862 90 90 VAL CG2 C 19.437 0.01 1 863 90 90 VAL N N 119.353 0.01 1 864 91 91 GLY H H 7.996 0.007 1 865 91 91 GLY HA2 H 4.005 0.007 1 866 91 91 GLY HA3 H 4.005 0.007 1 867 91 91 GLY CA C 44.850 0.01 1 868 91 91 GLY N N 111.594 0.01 1 869 92 92 PRO HA H 4.165 0.007 1 870 92 92 PRO HB2 H 1.852 0.007 2 871 92 92 PRO HB3 H 1.779 0.007 2 872 92 92 PRO HG2 H 1.686 0.007 2 873 92 92 PRO HG3 H 1.644 0.007 2 874 92 92 PRO HD2 H 3.493 0.007 1 875 92 92 PRO HD3 H 3.492 0.007 1 876 92 92 PRO C C 177.972 0.01 1 877 92 92 PRO CA C 63.100 0.01 1 878 92 92 PRO CB C 32.100 0.01 1 879 92 92 PRO CG C 27.872 0.01 1 880 92 92 PRO CD C 49.984 0.01 1 881 93 93 VAL H H 8.020 0.007 1 882 93 93 VAL HA H 3.957 0.007 1 883 93 93 VAL HB H 1.874 0.007 1 884 93 93 VAL HG1 H 0.716 0.007 2 885 93 93 VAL HG2 H 0.709 0.007 2 886 93 93 VAL C C 176.316 0.01 1 887 93 93 VAL CA C 62.100 0.01 1 888 93 93 VAL CB C 33.794 0.01 1 889 93 93 VAL CG1 C 22.738 0.01 1 890 93 93 VAL CG2 C 20.993 0.01 1 891 93 93 VAL N N 119.496 0.01 1 892 94 94 ASP H H 9.218 0.007 1 893 94 94 ASP HA H 4.340 0.007 1 894 94 94 ASP HB2 H 2.700 0.007 2 895 94 94 ASP HB3 H 2.354 0.007 2 896 94 94 ASP C C 175.172 0.01 1 897 94 94 ASP CA C 57.100 0.01 1 898 94 94 ASP CB C 44.850 0.01 1 899 94 94 ASP N N 126.544 0.01 1 900 95 95 ALA H H 7.222 0.007 1 901 95 95 ALA HA H 4.311 0.007 1 902 95 95 ALA HB H 1.135 0.007 1 903 95 95 ALA C C 174.685 0.01 1 904 95 95 ALA CA C 51.400 0.01 1 905 95 95 ALA CB C 21.700 0.01 1 906 95 95 ALA N N 115.136 0.01 1 907 96 96 GLN H H 8.125 0.007 1 908 96 96 GLN HA H 5.092 0.007 1 909 96 96 GLN HB2 H 1.763 0.007 2 910 96 96 GLN HB3 H 1.418 0.007 2 911 96 96 GLN HG2 H 2.140 0.007 2 912 96 96 GLN HG3 H 2.058 0.007 2 913 96 96 GLN HE21 H 7.759 0.007 2 914 96 96 GLN HE22 H 6.634 0.007 2 915 96 96 GLN C C 175.148 0.01 1 916 96 96 GLN CA C 54.400 0.01 1 917 96 96 GLN CB C 31.200 0.01 1 918 96 96 GLN CG C 34.178 0.01 1 919 96 96 GLN N N 117.954 0.01 1 920 96 96 GLN NE2 N 114.466 0.01 1 921 97 97 VAL H H 8.723 0.007 1 922 97 97 VAL HA H 4.364 0.007 1 923 97 97 VAL HB H 1.727 0.007 1 924 97 97 VAL HG1 H 0.540 0.007 2 925 97 97 VAL HG2 H 0.456 0.007 2 926 97 97 VAL C C 173.249 0.01 1 927 97 97 VAL CA C 59.500 0.01 1 928 97 97 VAL CB C 36.200 0.01 1 929 97 97 VAL CG1 C 21.510 0.01 1 930 97 97 VAL CG2 C 20.281 0.01 1 931 97 97 VAL N N 120.257 0.01 1 932 98 98 TYR H H 8.407 0.007 1 933 98 98 TYR HA H 4.487 0.007 1 934 98 98 TYR HB2 H 3.068 0.007 2 935 98 98 TYR HB3 H 2.434 0.007 2 936 98 98 TYR C C 177.947 0.01 1 937 98 98 TYR CA C 57.500 0.01 1 938 98 98 TYR CB C 39.900 0.01 1 939 98 98 TYR N N 121.181 0.01 1 940 99 99 LEU H H 8.661 0.007 1 941 99 99 LEU HA H 3.468 0.007 1 942 99 99 LEU HB2 H 1.312 0.007 2 943 99 99 LEU HB3 H 1.135 0.007 2 944 99 99 LEU HG H 0.875 0.007 1 945 99 99 LEU HD1 H 0.302 0.007 2 946 99 99 LEU HD2 H 0.142 0.007 2 947 99 99 LEU C C 179.213 0.01 1 948 99 99 LEU CA C 58.580 0.01 1 949 99 99 LEU CB C 41.892 0.01 1 950 99 99 LEU CG C 26.424 0.01 1 951 99 99 LEU CD1 C 25.809 0.01 1 952 99 99 LEU CD2 C 23.967 0.01 1 953 99 99 LEU N N 124.334 0.01 1 954 100 100 GLU H H 8.840 0.007 1 955 100 100 GLU HA H 3.971 0.007 1 956 100 100 GLU HB2 H 1.861 0.007 1 957 100 100 GLU HB3 H 1.860 0.007 1 958 100 100 GLU HG2 H 2.227 0.007 2 959 100 100 GLU HG3 H 2.095 0.007 2 960 100 100 GLU C C 176.973 0.01 1 961 100 100 GLU CA C 59.100 0.01 1 962 100 100 GLU CB C 28.900 0.01 1 963 100 100 GLU CG C 37.536 0.01 1 964 100 100 GLU N N 114.016 0.01 1 965 101 101 GLU H H 7.852 0.007 1 966 101 101 GLU HA H 4.196 0.007 1 967 101 101 GLU HB2 H 2.151 0.007 2 968 101 101 GLU HB3 H 2.145 0.007 2 969 101 101 GLU HG2 H 2.148 0.007 2 970 101 101 GLU HG3 H 2.145 0.007 2 971 101 101 GLU C C 177.071 0.01 1 972 101 101 GLU CA C 56.800 0.01 1 973 101 101 GLU CB C 30.400 0.01 1 974 101 101 GLU CG C 38.109 0.01 1 975 101 101 GLU N N 117.820 0.01 1 976 102 102 MET H H 7.696 0.007 1 977 102 102 MET HA H 4.195 0.007 1 978 102 102 MET HB2 H 2.169 0.007 2 979 102 102 MET HB3 H 2.167 0.007 2 980 102 102 MET HG2 H 2.558 0.007 2 981 102 102 MET HG3 H 1.966 0.007 2 982 102 102 MET C C 175.634 0.01 1 983 102 102 MET CA C 56.622 0.01 1 984 102 102 MET CB C 34.300 0.01 1 985 102 102 MET CG C 33.790 0.01 1 986 102 102 MET N N 118.564 0.01 1 987 103 103 SER H H 8.829 0.007 1 988 103 103 SER HA H 4.651 0.007 1 989 103 103 SER HB2 H 3.510 0.007 2 990 103 103 SER HB3 H 2.661 0.007 2 991 103 103 SER C C 172.397 0.01 1 992 103 103 SER CA C 58.600 0.01 1 993 103 103 SER CB C 64.400 0.01 1 994 103 103 SER N N 117.273 0.01 1 995 104 104 TRP H H 8.768 0.007 1 996 104 104 TRP HA H 4.944 0.007 1 997 104 104 TRP HB2 H 2.996 0.007 2 998 104 104 TRP HB3 H 2.992 0.007 2 999 104 104 TRP HE1 H 10.345 0.007 1 1000 104 104 TRP C C 174.709 0.01 1 1001 104 104 TRP CA C 56.078 0.01 1 1002 104 104 TRP CB C 31.900 0.01 1 1003 104 104 TRP N N 123.855 0.01 1 1004 104 104 TRP NE1 N 129.064 0.01 1 1005 105 105 ASN H H 8.656 0.007 1 1006 105 105 ASN HA H 4.540 0.007 1 1007 105 105 ASN HB2 H 2.913 0.007 2 1008 105 105 ASN HB3 H 2.102 0.007 2 1009 105 105 ASN HD21 H 7.072 0.007 2 1010 105 105 ASN HD22 H 6.653 0.007 2 1011 105 105 ASN C C 173.224 0.01 1 1012 105 105 ASN CA C 51.100 0.01 1 1013 105 105 ASN CB C 39.300 0.01 1 1014 105 105 ASN N N 128.290 0.01 1 1015 105 105 ASN ND2 N 113.098 0.01 1 1016 106 106 GLU H H 8.280 0.007 1 1017 106 106 GLU HA H 3.297 0.007 1 1018 106 106 GLU HB2 H 2.051 0.007 2 1019 106 106 GLU HB3 H 1.753 0.007 2 1020 106 106 GLU HG2 H 2.251 0.007 2 1021 106 106 GLU HG3 H 2.217 0.007 2 1022 106 106 GLU C C 178.093 0.01 1 1023 106 106 GLU CA C 58.977 0.01 1 1024 106 106 GLU CB C 29.900 0.01 1 1025 106 106 GLU CG C 35.752 0.01 1 1026 106 106 GLU N N 125.320 0.01 1 1027 107 107 GLY H H 8.068 0.007 1 1028 107 107 GLY HA2 H 3.590 0.007 2 1029 107 107 GLY HA3 H 3.593 0.007 2 1030 107 107 GLY C C 174.563 0.01 1 1031 107 107 GLY CA C 47.141 0.01 1 1032 107 107 GLY N N 105.789 0.01 1 1033 108 108 ASP H H 6.851 0.007 1 1034 108 108 ASP HA H 4.476 0.007 1 1035 108 108 ASP HB2 H 2.287 0.007 2 1036 108 108 ASP HB3 H 2.280 0.007 2 1037 108 108 ASP C C 175.513 0.01 1 1038 108 108 ASP CA C 52.800 0.01 1 1039 108 108 ASP CB C 40.717 0.01 1 1040 108 108 ASP N N 116.727 0.01 1 1041 109 109 HIS H H 7.436 0.007 1 1042 109 109 HIS HA H 3.449 0.007 1 1043 109 109 HIS HB2 H 3.318 0.007 2 1044 109 109 HIS HB3 H 3.143 0.007 2 1045 109 109 HIS C C 173.443 0.01 1 1046 109 109 HIS CA C 57.100 0.01 1 1047 109 109 HIS CB C 27.652 0.01 1 1048 109 109 HIS N N 119.461 0.01 1 1049 110 110 SER H H 7.009 0.007 1 1050 110 110 SER HA H 4.892 0.007 1 1051 110 110 SER HB2 H 3.390 0.007 1 1052 110 110 SER HB3 H 3.390 0.007 1 1053 110 110 SER C C 171.301 0.01 1 1054 110 110 SER CA C 57.116 0.01 1 1055 110 110 SER CB C 66.982 0.01 1 1056 110 110 SER N N 111.805 0.01 1 1057 111 111 PHE H H 9.101 0.007 1 1058 111 111 PHE HA H 5.636 0.007 1 1059 111 111 PHE HB2 H 3.044 0.007 2 1060 111 111 PHE HB3 H 2.802 0.007 2 1061 111 111 PHE C C 176.365 0.01 1 1062 111 111 PHE CA C 57.125 0.01 1 1063 111 111 PHE CB C 42.969 0.01 1 1064 111 111 PHE N N 120.555 0.01 1 1065 112 112 TYR H H 9.265 0.007 1 1066 112 112 TYR HA H 6.042 0.007 1 1067 112 112 TYR HB2 H 2.931 0.007 2 1068 112 112 TYR HB3 H 2.637 0.007 2 1069 112 112 TYR C C 173.443 0.01 1 1070 112 112 TYR CA C 56.620 0.01 1 1071 112 112 TYR CB C 43.008 0.01 1 1072 112 112 TYR N N 116.835 0.01 1 1073 113 113 LEU H H 8.786 0.007 1 1074 113 113 LEU HA H 4.664 0.007 1 1075 113 113 LEU HB2 H 1.738 0.007 2 1076 113 113 LEU HB3 H 1.376 0.007 2 1077 113 113 LEU HG H 1.735 0.007 1 1078 113 113 LEU HD1 H 0.883 0.007 2 1079 113 113 LEU HD2 H 0.738 0.007 2 1080 113 113 LEU C C 177.485 0.01 1 1081 113 113 LEU CA C 53.800 0.01 1 1082 113 113 LEU CB C 48.300 0.01 1 1083 113 113 LEU CG C 27.038 0.01 1 1084 113 113 LEU CD1 C 24.760 0.01 1 1085 113 113 LEU CD2 C 26.424 0.01 1 1086 113 113 LEU N N 121.484 0.01 1 1087 114 114 SER H H 8.908 0.007 1 1088 114 114 SER HA H 4.530 0.007 1 1089 114 114 SER HB2 H 3.910 0.007 2 1090 114 114 SER HB3 H 3.774 0.007 2 1091 114 114 SER C C 172.372 0.01 1 1092 114 114 SER CA C 60.700 0.01 1 1093 114 114 SER CB C 63.700 0.01 1 1094 114 114 SER N N 122.489 0.01 1 1095 115 115 CYS H H 8.467 0.007 1 1096 115 115 CYS HA H 4.550 0.007 1 1097 115 115 CYS HB2 H 2.367 0.007 2 1098 115 115 CYS HB3 H 2.142 0.007 2 1099 115 115 CYS C C 176.876 0.01 1 1100 115 115 CYS CA C 58.977 0.01 1 1101 115 115 CYS CB C 33.800 0.01 1 1102 115 115 CYS N N 126.529 0.01 1 1103 116 116 ARG H H 8.913 0.007 1 1104 116 116 ARG HA H 4.189 0.007 1 1105 116 116 ARG HB2 H 1.767 0.007 1 1106 116 116 ARG HB3 H 1.768 0.007 1 1107 116 116 ARG HG2 H 1.420 0.007 1 1108 116 116 ARG HG3 H 1.420 0.007 1 1109 116 116 ARG HD2 H 3.070 0.007 2 1110 116 116 ARG HD3 H 3.064 0.007 2 1111 116 116 ARG C C 177.241 0.01 1 1112 116 116 ARG CA C 58.700 0.01 1 1113 116 116 ARG CB C 29.000 0.01 1 1114 116 116 ARG CG C 26.398 0.01 1 1115 116 116 ARG CD C 44.006 0.01 1 1116 116 116 ARG N N 131.502 0.01 1 1117 117 117 CYS H H 8.885 0.007 1 1118 117 117 CYS HA H 4.430 0.007 1 1119 117 117 CYS HB2 H 3.189 0.007 2 1120 117 117 CYS HB3 H 2.635 0.007 2 1121 117 117 CYS C C 176.535 0.01 1 1122 117 117 CYS CA C 60.206 0.01 1 1123 117 117 CYS CB C 30.500 0.01 1 1124 117 117 CYS N N 123.727 0.01 1 1125 118 118 GLY H H 7.831 0.007 1 1126 118 118 GLY HA2 H 4.490 0.007 2 1127 118 118 GLY HA3 H 3.572 0.007 2 1128 118 118 GLY C C 174.855 0.01 1 1129 118 118 GLY CA C 44.900 0.01 1 1130 118 118 GLY N N 112.355 0.01 1 1131 119 119 GLY H H 9.753 0.007 1 1132 119 119 GLY HA2 H 4.145 0.007 2 1133 119 119 GLY HA3 H 3.368 0.007 2 1134 119 119 GLY C C 172.007 0.01 1 1135 119 119 GLY CA C 43.500 0.01 1 1136 119 119 GLY N N 117.135 0.01 1 1137 120 120 LYS H H 8.506 0.007 1 1138 120 120 LYS HA H 4.852 0.007 1 1139 120 120 LYS HB2 H 1.537 0.007 2 1140 120 120 LYS HB3 H 1.521 0.007 2 1141 120 120 LYS HG2 H 1.168 0.007 2 1142 120 120 LYS HG3 H 1.157 0.007 2 1143 120 120 LYS HD2 H 1.518 0.007 1 1144 120 120 LYS HD3 H 1.518 0.007 1 1145 120 120 LYS HE2 H 2.523 0.007 1 1146 120 120 LYS HE3 H 2.523 0.007 1 1147 120 120 LYS C C 174.295 0.01 1 1148 120 120 LYS CA C 56.000 0.01 1 1149 120 120 LYS CB C 37.000 0.01 1 1150 120 120 LYS CG C 24.597 0.01 1 1151 120 120 LYS CD C 29.674 0.01 1 1152 120 120 LYS CE C 42.040 0.01 1 1153 120 120 LYS N N 120.555 0.01 1 1154 121 121 TYR H H 9.003 0.007 1 1155 121 121 TYR HA H 4.544 0.007 1 1156 121 121 TYR HB2 H 2.786 0.007 2 1157 121 121 TYR HB3 H 2.570 0.007 2 1158 121 121 TYR C C 175.391 0.01 1 1159 121 121 TYR CA C 56.600 0.01 1 1160 121 121 TYR CB C 39.733 0.01 1 1161 121 121 TYR N N 121.810 0.01 1 1162 122 122 SER H H 8.414 0.007 1 1163 122 122 SER HA H 5.677 0.007 1 1164 122 122 SER HB2 H 3.593 0.007 2 1165 122 122 SER HB3 H 3.464 0.007 2 1166 122 122 SER C C 172.786 0.01 1 1167 122 122 SER CA C 57.255 0.01 1 1168 122 122 SER CB C 66.200 0.01 1 1169 122 122 SER N N 117.712 0.01 1 1170 123 123 VAL H H 8.973 0.007 1 1171 123 123 VAL HA H 4.531 0.007 1 1172 123 123 VAL HB H 1.978 0.007 1 1173 123 123 VAL HG1 H 0.986 0.007 2 1174 123 123 VAL HG2 H 0.905 0.007 2 1175 123 123 VAL C C 173.395 0.01 1 1176 123 123 VAL CA C 60.200 0.01 1 1177 123 123 VAL CB C 35.637 0.01 1 1178 123 123 VAL CG1 C 21.730 0.01 1 1179 123 123 VAL CG2 C 20.952 0.01 1 1180 123 123 VAL N N 121.648 0.01 1 1181 124 124 SER H H 9.092 0.007 1 1182 124 124 SER HA H 4.583 0.007 1 1183 124 124 SER HB2 H 4.227 0.007 2 1184 124 124 SER HB3 H 3.927 0.007 2 1185 124 124 SER C C 175.829 0.01 1 1186 124 124 SER CA C 58.731 0.01 1 1187 124 124 SER CB C 64.400 0.01 1 1188 124 124 SER N N 123.751 0.01 1 1189 125 125 LYS H H 8.707 0.007 1 1190 125 125 LYS HA H 4.223 0.007 1 1191 125 125 LYS HB2 H 1.984 0.007 2 1192 125 125 LYS HB3 H 2.258 0.007 2 1193 125 125 LYS HG2 H 1.512 0.007 2 1194 125 125 LYS HG3 H 1.493 0.007 2 1195 125 125 LYS HD2 H 1.621 0.007 1 1196 125 125 LYS HD3 H 1.621 0.007 1 1197 125 125 LYS HE2 H 2.838 0.007 1 1198 125 125 LYS HE3 H 2.838 0.007 1 1199 125 125 LYS C C 178.191 0.01 1 1200 125 125 LYS CA C 60.600 0.01 1 1201 125 125 LYS CB C 33.132 0.01 1 1202 125 125 LYS CG C 25.195 0.01 1 1203 125 125 LYS CD C 29.428 0.01 1 1204 125 125 LYS CE C 42.204 0.01 1 1205 125 125 LYS N N 123.520 0.01 1 1206 126 126 ASP H H 8.387 0.007 1 1207 126 126 ASP HA H 4.452 0.007 1 1208 126 126 ASP HB2 H 2.726 0.007 2 1209 126 126 ASP HB3 H 2.546 0.007 2 1210 126 126 ASP C C 177.582 0.01 1 1211 126 126 ASP CA C 56.900 0.01 1 1212 126 126 ASP CB C 41.165 0.01 1 1213 126 126 ASP N N 115.633 0.01 1 1214 127 127 GLU H H 7.648 0.007 1 1215 127 127 GLU HA H 4.451 0.007 1 1216 127 127 GLU HB2 H 2.044 0.007 2 1217 127 127 GLU HB3 H 2.014 0.007 2 1218 127 127 GLU HG2 H 2.259 0.007 2 1219 127 127 GLU HG3 H 2.252 0.007 2 1220 127 127 GLU C C 177.485 0.01 1 1221 127 127 GLU CA C 56.700 0.01 1 1222 127 127 GLU CB C 30.889 0.01 1 1223 127 127 GLU CG C 36.799 0.01 1 1224 127 127 GLU N N 117.877 0.01 1 1225 128 128 ALA H H 7.588 0.007 1 1226 128 128 ALA HA H 3.795 0.007 1 1227 128 128 ALA HB H 1.454 0.007 1 1228 128 128 ALA C C 177.533 0.01 1 1229 128 128 ALA CA C 55.800 0.01 1 1230 128 128 ALA CB C 19.667 0.01 1 1231 128 128 ALA N N 122.124 0.01 1 1232 129 129 GLU H H 8.005 0.007 1 1233 129 129 GLU HA H 3.980 0.007 1 1234 129 129 GLU HB2 H 2.004 0.007 2 1235 129 129 GLU HB3 H 1.809 0.007 2 1236 129 129 GLU HG2 H 2.227 0.007 2 1237 129 129 GLU HG3 H 2.087 0.007 2 1238 129 129 GLU C C 176.657 0.01 1 1239 129 129 GLU CA C 57.600 0.01 1 1240 129 129 GLU CB C 30.070 0.01 1 1241 129 129 GLU CG C 36.858 0.01 1 1242 129 129 GLU N N 112.006 0.01 1 1243 130 130 GLU H H 7.682 0.007 1 1244 130 130 GLU HA H 4.262 0.007 1 1245 130 130 GLU HB2 H 2.080 0.007 2 1246 130 130 GLU HB3 H 1.852 0.007 2 1247 130 130 GLU HG2 H 2.081 0.007 2 1248 130 130 GLU HG3 H 2.079 0.007 2 1249 130 130 GLU C C 176.462 0.01 1 1250 130 130 GLU CA C 56.400 0.01 1 1251 130 130 GLU CB C 32.100 0.01 1 1252 130 130 GLU CG C 36.226 0.01 1 1253 130 130 GLU N N 115.963 0.01 1 1254 131 131 VAL H H 7.519 0.007 1 1255 131 131 VAL HA H 4.086 0.007 1 1256 131 131 VAL HB H 1.987 0.007 1 1257 131 131 VAL HG1 H 0.925 0.007 2 1258 131 131 VAL HG2 H 0.747 0.007 2 1259 131 131 VAL C C 175.586 0.01 1 1260 131 131 VAL CA C 63.100 0.01 1 1261 131 131 VAL CB C 33.700 0.01 1 1262 131 131 VAL CG1 C 22.549 0.01 1 1263 131 131 VAL CG2 C 22.385 0.01 1 1264 131 131 VAL N N 119.713 0.01 1 1265 132 132 SER H H 8.658 0.007 1 1266 132 132 SER HA H 4.967 0.007 1 1267 132 132 SER HB2 H 3.805 0.007 1 1268 132 132 SER HB3 H 3.804 0.007 1 1269 132 132 SER C C 172.981 0.01 1 1270 132 132 SER CA C 59.053 0.01 1 1271 132 132 SER CB C 65.200 0.01 1 1272 132 132 SER N N 118.068 0.01 1 1273 133 133 LEU H H 7.701 0.007 1 1274 133 133 LEU HA H 5.156 0.007 1 1275 133 133 LEU HB2 H 1.623 0.007 2 1276 133 133 LEU HB3 H 1.188 0.007 2 1277 133 133 LEU HG H 1.497 0.007 1 1278 133 133 LEU HD1 H 0.740 0.007 2 1279 133 133 LEU HD2 H 0.674 0.007 2 1280 133 133 LEU C C 176.608 0.01 1 1281 133 133 LEU CA C 54.678 0.01 1 1282 133 133 LEU CB C 44.236 0.01 1 1283 133 133 LEU CG C 27.053 0.01 1 1284 133 133 LEU CD1 C 25.743 0.01 1 1285 133 133 LEU CD2 C 23.532 0.01 1 1286 133 133 LEU N N 121.733 0.01 1 1287 134 134 ILE H H 9.034 0.007 1 1288 134 134 ILE HA H 4.262 0.007 1 1289 134 134 ILE HB H 1.547 0.007 1 1290 134 134 ILE HG12 H 0.994 0.007 2 1291 134 134 ILE HG13 H 1.000 0.007 2 1292 134 134 ILE HG2 H 0.509 0.007 1 1293 134 134 ILE HD1 H 0.505 0.007 1 1294 134 134 ILE C C 174.831 0.01 1 1295 134 134 ILE CA C 60.800 0.01 1 1296 134 134 ILE CB C 41.779 0.01 1 1297 134 134 ILE CG1 C 27.652 0.01 1 1298 134 134 ILE CG2 C 19.053 0.01 1 1299 134 134 ILE CD1 C 15.368 0.01 1 1300 134 134 ILE N N 121.914 0.01 1 1301 135 135 SER H H 8.744 0.007 1 1302 135 135 SER HA H 5.124 0.007 1 1303 135 135 SER HB2 H 3.886 0.007 2 1304 135 135 SER HB3 H 3.724 0.007 2 1305 135 135 SER C C 174.076 0.01 1 1306 135 135 SER CA C 57.774 0.01 1 1307 135 135 SER CB C 64.926 0.01 1 1308 135 135 SER N N 121.824 0.01 1 1309 136 136 CYS H H 8.473 0.007 1 1310 136 136 CYS HA H 3.274 0.007 1 1311 136 136 CYS HB2 H 2.683 0.007 2 1312 136 136 CYS HB3 H 2.323 0.007 2 1313 136 136 CYS C C 175.586 0.01 1 1314 136 136 CYS CA C 60.800 0.01 1 1315 136 136 CYS CB C 28.800 0.01 1 1316 136 136 CYS N N 129.356 0.01 1 1317 137 137 ASP H H 8.259 0.007 1 1318 137 137 ASP HA H 4.271 0.007 1 1319 137 137 ASP HB2 H 2.921 0.007 2 1320 137 137 ASP HB3 H 2.707 0.007 2 1321 137 137 ASP C C 177.168 0.01 1 1322 137 137 ASP CA C 55.300 0.01 1 1323 137 137 ASP CB C 39.993 0.01 1 1324 137 137 ASP N N 127.370 0.01 1 1325 138 138 THR H H 10.309 0.007 1 1326 138 138 THR HA H 4.227 0.007 1 1327 138 138 THR HB H 3.965 0.007 1 1328 138 138 THR HG2 H 0.992 0.007 1 1329 138 138 THR C C 173.663 0.01 1 1330 138 138 THR CA C 65.734 0.01 1 1331 138 138 THR CB C 71.876 0.01 1 1332 138 138 THR CG2 C 21.566 0.01 1 1333 138 138 THR N N 123.927 0.01 1 1334 139 139 CYS H H 8.984 0.007 1 1335 139 139 CYS HA H 5.045 0.007 1 1336 139 139 CYS HB2 H 3.122 0.007 2 1337 139 139 CYS HB3 H 2.921 0.007 2 1338 139 139 CYS C C 174.709 0.01 1 1339 139 139 CYS CA C 58.379 0.01 1 1340 139 139 CYS CB C 31.000 0.01 1 1341 139 139 CYS N N 128.589 0.01 1 1342 140 140 SER H H 7.504 0.007 1 1343 140 140 SER HA H 4.484 0.007 1 1344 140 140 SER HB2 H 3.946 0.007 2 1345 140 140 SER HB3 H 3.846 0.007 2 1346 140 140 SER C C 175.440 0.01 1 1347 140 140 SER CA C 58.989 0.01 1 1348 140 140 SER CB C 63.975 0.01 1 1349 140 140 SER N N 111.192 0.01 1 1350 141 141 LEU H H 9.176 0.007 1 1351 141 141 LEU HA H 4.216 0.007 1 1352 141 141 LEU HB2 H 2.095 0.007 2 1353 141 141 LEU HB3 H 1.174 0.007 2 1354 141 141 LEU HG H 1.976 0.007 1 1355 141 141 LEU HD1 H 0.731 0.007 2 1356 141 141 LEU HD2 H 0.725 0.007 2 1357 141 141 LEU C C 175.756 0.01 1 1358 141 141 LEU CA C 57.000 0.01 1 1359 141 141 LEU CB C 43.599 0.01 1 1360 141 141 LEU CG C 27.381 0.01 1 1361 141 141 LEU CD1 C 26.424 0.01 1 1362 141 141 LEU CD2 C 22.713 0.01 1 1363 141 141 LEU N N 127.867 0.01 1 1364 142 142 ILE H H 7.810 0.007 1 1365 142 142 ILE HA H 4.982 0.007 1 1366 142 142 ILE HB H 1.590 0.007 1 1367 142 142 ILE HG12 H 0.957 0.007 2 1368 142 142 ILE HG13 H 0.952 0.007 2 1369 142 142 ILE HG2 H 0.756 0.007 1 1370 142 142 ILE HD1 H 0.727 0.007 1 1371 142 142 ILE C C 174.539 0.01 1 1372 142 142 ILE CA C 59.987 0.01 1 1373 142 142 ILE CB C 42.500 0.01 1 1374 142 142 ILE CG1 C 26.562 0.01 1 1375 142 142 ILE CG2 C 18.946 0.01 1 1376 142 142 ILE CD1 C 13.950 0.01 1 1377 142 142 ILE N N 118.593 0.01 1 1378 143 143 ILE H H 8.664 0.007 1 1379 143 143 ILE HA H 4.795 0.007 1 1380 143 143 ILE HB H 1.180 0.007 1 1381 143 143 ILE HG12 H 0.727 0.007 1 1382 143 143 ILE HG13 H 0.727 0.007 1 1383 143 143 ILE HG2 H 0.054 0.007 1 1384 143 143 ILE HD1 H 0.006 0.007 1 1385 143 143 ILE C C 174.393 0.01 1 1386 143 143 ILE CA C 59.428 0.01 1 1387 143 143 ILE CB C 41.779 0.01 1 1388 143 143 ILE CG1 C 24.842 0.01 1 1389 143 143 ILE CG2 C 17.717 0.01 1 1390 143 143 ILE CD1 C 14.287 0.01 1 1391 143 143 ILE N N 117.828 0.01 1 1392 144 144 GLU H H 8.220 0.007 1 1393 144 144 GLU HA H 4.922 0.007 1 1394 144 144 GLU HB2 H 1.617 0.007 2 1395 144 144 GLU HB3 H 1.614 0.007 2 1396 144 144 GLU HG2 H 2.096 0.007 2 1397 144 144 GLU HG3 H 2.098 0.007 2 1398 144 144 GLU C C 173.857 0.01 1 1399 144 144 GLU CA C 54.042 0.01 1 1400 144 144 GLU CB C 33.729 0.01 1 1401 144 144 GLU CG C 36.062 0.01 1 1402 144 144 GLU N N 121.801 0.01 1 1403 145 145 LEU H H 8.565 0.007 1 1404 145 145 LEU HA H 4.487 0.007 1 1405 145 145 LEU HB2 H 1.625 0.007 2 1406 145 145 LEU HB3 H 0.711 0.007 2 1407 145 145 LEU HG H 0.894 0.007 1 1408 145 145 LEU HD1 H 0.510 0.007 1 1409 145 145 LEU HD2 H 0.511 0.007 1 1410 145 145 LEU C C 175.221 0.01 1 1411 145 145 LEU CA C 53.505 0.01 1 1412 145 145 LEU CB C 43.560 0.01 1 1413 145 145 LEU CG C 27.652 0.01 1 1414 145 145 LEU CD1 C 26.644 0.01 1 1415 145 145 LEU CD2 C 24.221 0.01 1 1416 145 145 LEU N N 129.135 0.01 1 1417 146 146 LEU H H 8.542 0.007 1 1418 146 146 LEU HA H 4.118 0.007 1 1419 146 146 LEU HB2 H 0.665 0.007 2 1420 146 146 LEU HB3 H 0.353 0.007 2 1421 146 146 LEU HG H 0.902 0.007 1 1422 146 146 LEU HD1 H 0.405 0.007 2 1423 146 146 LEU HD2 H 0.108 0.007 2 1424 146 146 LEU C C 175.586 0.01 1 1425 146 146 LEU CA C 53.428 0.01 1 1426 146 146 LEU CB C 43.040 0.01 1 1427 146 146 LEU CG C 27.038 0.01 1 1428 146 146 LEU CD1 C 22.124 0.01 1 1429 146 146 LEU CD2 C 25.809 0.01 1 1430 146 146 LEU N N 126.938 0.01 1 1431 147 147 HIS H H 8.218 0.007 1 1432 147 147 HIS HB2 H 2.712 0.007 2 1433 147 147 HIS HB3 H 2.710 0.007 2 1434 147 147 HIS CB C 31.600 0.01 1 1435 147 147 HIS N N 116.727 0.01 1 1436 149 149 ASN HD21 H 6.557 0.007 2 1437 149 149 ASN HD22 H 6.737 0.007 2 1438 149 149 ASN ND2 N 111.951 0.01 1 1439 150 150 HIS H H 7.787 0.007 1 1440 150 150 HIS HA H 4.434 0.007 1 1441 150 150 HIS HB2 H 2.861 0.007 2 1442 150 150 HIS HB3 H 2.858 0.007 2 1443 150 150 HIS C C 174.198 0.01 1 1444 150 150 HIS CA C 56.400 0.01 1 1445 150 150 HIS CB C 31.000 0.01 1 1446 150 150 HIS N N 125.794 0.01 1 stop_ save_