data_5516 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 13C and 15N resonances of the Coxsackievirus and Adenovirus receptor domain 1 ; _BMRB_accession_number 5516 _BMRB_flat_file_name bmr5516.str _Entry_type original _Submission_date 2002-09-10 _Accession_date 2002-09-10 _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 Jiang Shaokai . . 2 Caffrey Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 753 "13C chemical shifts" 560 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-12-23 original author 'original release' 2004-02-20 update author 'addition of cloning artifacts (GS)' stop_ _Original_release_date 2002-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N Resonances of the Coxsackievirus and Adenovirus Receptor Domain 1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22410155 _PubMed_ID 12522304 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Shaokai . . 2 Caffrey Michael . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 24 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 365 _Page_last 366 _Year 2002 _Details . loop_ _Keyword Adenovirus CAR Coxsackievirus 'NMR assignments' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Bergelson_1997 _Saveframe_category citation _Citation_full ; Bergelson JM, Cunningham JA, Droguett G, Kurt-Jones EA, Krithivas A, Hong JS, Horwitz MS, Crowell RL, Finberg RW. Isolation of a common receptor for Coxsackie B viruses and adenoviruses 2 and 5. Science. 1997 Feb 28;275(5304):1320-3. ; _Citation_title ; Isolation of a common receptor for Coxsackie B viruses and adenoviruses 2 and 5. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9036860 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bergelson 'J M' M. . 2 Cunningham 'J A' A. . 3 Droguett G . . 4 Kurt-Jones 'E A' A. . 5 Krithivas A . . 6 Hong 'J S' S. . 7 Horwitz 'M S' S. . 8 Crowell 'R L' L. . 9 Finberg 'R W' W. . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 275 _Journal_issue 5304 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1320 _Page_last 1323 _Year 1997 _Details ; A complementary DNA clone has been isolated that encodes a coxsackievirus and adenovirus receptor (CAR). When transfected with CAR complementary DNA, nonpermissive hamster cells became susceptible to coxsackie B virus attachment and infection. Furthermore, consistent with previous studies demonstrating that adenovirus infection depends on attachment of a viral fiber to the target cell, CAR-transfected hamster cells bound adenovirus in a fiber-dependent fashion and showed a 100-fold increase in susceptibility to virus-mediated gene transfer. Identification of CAR as a receptor for these two unrelated and structurally distinct viral pathogens is important for understanding viral pathogenesis and has implications for therapeutic gene delivery with adenovirus vectors. ; save_ ################################## # Molecular system description # ################################## save_system_CAR _Saveframe_category molecular_system _Mol_system_name 'Coxsackievirus and Adenovirus receptor' _Abbreviation_common CAR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CAR-d1 monomer' $CAR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CAR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Coxsackievirus and Adenovirus' _Abbreviation_common CAR _Molecular_mass 13741 _Mol_thiol_state 'all disulfide bound' _Details 'The two reisdues(GS) at the N-terminal are cloning artifacts.' ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GSSITTPEEMIEKAKGETAY LPCKFTLSPEDQGPLDIEWL ISPADNQKVDQVIILYSGDK IYDDYYPDLKGRVHFTSNDL KSGDASINVTNLQLSDIGTY QCKVKKAPGVANKKIHLVVL VKPSGA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 GLY 2 20 SER 3 21 SER 4 22 ILE 5 23 THR 6 24 THR 7 25 PRO 8 26 GLU 9 27 GLU 10 28 MET 11 29 ILE 12 30 GLU 13 31 LYS 14 32 ALA 15 33 LYS 16 34 GLY 17 35 GLU 18 36 THR 19 37 ALA 20 38 TYR 21 39 LEU 22 40 PRO 23 41 CYS 24 42 LYS 25 43 PHE 26 44 THR 27 45 LEU 28 46 SER 29 47 PRO 30 48 GLU 31 49 ASP 32 50 GLN 33 51 GLY 34 52 PRO 35 53 LEU 36 54 ASP 37 55 ILE 38 56 GLU 39 57 TRP 40 58 LEU 41 59 ILE 42 60 SER 43 61 PRO 44 62 ALA 45 63 ASP 46 64 ASN 47 65 GLN 48 66 LYS 49 67 VAL 50 68 ASP 51 69 GLN 52 70 VAL 53 71 ILE 54 72 ILE 55 73 LEU 56 74 TYR 57 75 SER 58 76 GLY 59 77 ASP 60 78 LYS 61 79 ILE 62 80 TYR 63 81 ASP 64 82 ASP 65 83 TYR 66 84 TYR 67 85 PRO 68 86 ASP 69 87 LEU 70 88 LYS 71 89 GLY 72 90 ARG 73 91 VAL 74 92 HIS 75 93 PHE 76 94 THR 77 95 SER 78 96 ASN 79 97 ASP 80 98 LEU 81 99 LYS 82 100 SER 83 101 GLY 84 102 ASP 85 103 ALA 86 104 SER 87 105 ILE 88 106 ASN 89 107 VAL 90 108 THR 91 109 ASN 92 110 LEU 93 111 GLN 94 112 LEU 95 113 SER 96 114 ASP 97 115 ILE 98 116 GLY 99 117 THR 100 118 TYR 101 119 GLN 102 120 CYS 103 121 LYS 104 122 VAL 105 123 LYS 106 124 LYS 107 125 ALA 108 126 PRO 109 127 GLY 110 128 VAL 111 129 ALA 112 130 ASN 113 131 LYS 114 132 LYS 115 133 ILE 116 134 HIS 117 135 LEU 118 136 VAL 119 137 VAL 120 138 LEU 121 139 VAL 122 140 LYS 123 141 PRO 124 142 SER 125 143 GLY 126 144 ALA stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1EAJ 'Dimeric Structure Of The Coxsackie Virus And Adenovirus Receptor D1 Domain At 1.35 Angstrom Resolution' 95.24 126 100.00 100.00 4.87e-64 PDB 1F5W 'Dimeric Structure Of The Coxsackie Virus And Adenovirus Receptor D1 Domain' 95.24 126 100.00 100.00 4.87e-64 PDB 1JEW 'Cryo-Em Structure Of Coxsackievirus B3(M Strain) With Its Cellular Receptor, Coxsackievirus And Adenovirus Receptor (Car)' 95.24 120 100.00 100.00 6.86e-64 PDB 1KAC 'Knob Domain From Adenovirus Serotype 12 In Complex With Domain 1 Of Its Cellular Receptor Car' 97.62 124 100.00 100.00 9.11e-66 PDB 1P69 'Structural Basis For Variation In Adenovirus Affinity For The Cellular Receptor Car (P417s Mutant)' 97.62 124 100.00 100.00 9.11e-66 PDB 1P6A 'Structural Basis For Variation In Asdenovirus Affinity For The Cellular Receptor Car (S489y Mutant)' 97.62 124 100.00 100.00 9.11e-66 PDB 1RSF 'Nmr Structure Of Monomeric Car D1 Domain' 100.00 126 100.00 100.00 1.83e-67 PDB 2J12 'Ad37 Fibre Head In Complex With Car D1' 95.24 128 100.00 100.00 3.73e-64 PDB 2J1K 'Cav-2 Fibre Head In Complex With Car D1' 95.24 128 100.00 100.00 3.73e-64 DBJ BAG36305 'unnamed protein product [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 EMBL CAA68868 'coxsackie and adenovirus receptor protein [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 EMBL CAH92396 'hypothetical protein [Pongo abelii]' 98.41 365 100.00 100.00 4.87e-67 GenBank AAC51234 'cell surface protein HCAR [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 GenBank AAD31772 'coxsackie and adenovirus receptor protein [Homo sapiens]' 98.41 344 100.00 100.00 5.85e-67 GenBank AAF05908 'coxsackievirus B-adenovirus receptor [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 GenBank AAF24344 'coxsackievirus and adenovirus receptor [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 GenBank AAG01088 'coxsackie virus and adenovirus receptor [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 REF NP_001329 'coxsackie virus and adenovirus receptor precursor [Homo sapiens]' 98.41 365 100.00 100.00 4.87e-67 REF XP_001155969 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 1 [Pan troglodytes]' 92.86 338 100.00 100.00 5.00e-63 REF XP_001156087 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 2 [Pan troglodytes]' 98.41 365 100.00 100.00 4.87e-67 REF XP_531394 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 3 [Pan troglodytes]' 98.41 352 100.00 100.00 7.33e-67 SWISS-PROT P78310 'Coxsackievirus and adenovirus receptor precursor (Coxsackievirus B-adenovirus receptor) (HCVADR) (hCAR) (CVB3-binding protein)' 98.41 365 100.00 100.00 4.87e-67 SWISS-PROT Q5R764 'Coxsackievirus and adenovirus receptor homolog precursor' 98.41 365 100.00 100.00 4.87e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CAR 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 $CAR 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CAR . mM 0.8 1.2 '[U-95% 15N]' formate 50 mM . . [U-2H] stop_ save_ save_13C_N15-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CAR . mM 0.9 1.2 '[U-90% 13C; U-90% N15]' formate 50 mM . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_H(C)CH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label . save_ save_(H)CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _Sample_label . save_ save_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_exp_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.02 n/a temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 H2O H 1 protons ppm 4.802 internal direct spherical internal . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HN(CO)CA HNCACB CBCA(CO)NH HNCO H(C)CH-TOCSY (H)CCH-TOCSY CC(CO)NH '1H-1H TOCSY' '1H-1H NOESY' '1H-15N NOESY' '1H-15N TOCSY' '1H-13C NOESY' stop_ _Sample_conditions_label $exp_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CAR-d1 monomer' _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 19 1 GLY HA2 H 3.90 0.02 1 2 19 1 GLY HA3 H 3.90 0.02 1 3 19 1 GLY CA C 43.4 0.20 1 4 19 1 GLY C C 170.2 0.20 1 5 20 2 SER H H 8.68 0.02 1 6 20 2 SER HA H 4.55 0.02 1 7 20 2 SER HB2 H 3.87 0.02 1 8 20 2 SER HB3 H 3.87 0.02 1 9 20 2 SER C C 174.4 0.20 1 10 20 2 SER CA C 58.0 0.20 1 11 20 2 SER CB C 64.0 0.20 1 12 20 2 SER N N 115.7 0.05 1 13 21 3 SER H H 8.52 0.02 1 14 21 3 SER HA H 4.55 0.02 1 15 21 3 SER HB2 H 3.87 0.02 1 16 21 3 SER HB3 H 3.87 0.02 1 17 21 3 SER C C 174.3 0.20 1 18 21 3 SER CA C 58.0 0.20 1 19 21 3 SER CB C 64.0 0.20 1 20 21 3 SER N N 118.4 0.05 1 21 22 4 ILE H H 8.30 0.02 1 22 22 4 ILE HA H 4.30 0.02 1 23 22 4 ILE HB H 1.87 0.02 1 24 22 4 ILE HG12 H 1.18 0.02 2 25 22 4 ILE HG13 H 1.46 0.02 2 26 22 4 ILE HG2 H 0.92 0.02 1 27 22 4 ILE HD1 H 0.85 0.02 1 28 22 4 ILE C C 174.2 0.20 1 29 22 4 ILE CA C 61.0 0.20 1 30 22 4 ILE CB C 39.0 0.20 1 31 22 4 ILE CG1 C 27.2 0.20 1 32 22 4 ILE CG2 C 17.5 0.20 1 33 22 4 ILE CD1 C 13.0 0.20 1 34 22 4 ILE N N 122.87 0.05 1 35 23 5 THR H H 8.33 0.02 1 36 23 5 THR HA H 4.45 0.02 1 37 23 5 THR HB H 4.16 0.02 1 38 23 5 THR HG2 H 1.18 0.02 1 39 23 5 THR C C 174.3 0.20 1 40 23 5 THR CA C 61.5 0.20 1 41 23 5 THR CB C 69.7 0.20 1 42 23 5 THR CG2 C 21.7 0.20 1 43 23 5 THR N N 119.43 0.05 1 44 24 6 THR H H 8.32 0.02 1 45 24 6 THR HA H 4.63 0.02 1 46 24 6 THR HB H 4.16 0.02 1 47 24 6 THR HG2 H 1.27 0.02 1 48 24 6 THR CA C 59.9 0.20 1 49 24 6 THR CB C 69.7 0.20 1 50 24 6 THR CG2 C 21.5 0.20 1 51 24 6 THR N N 120.18 0.05 1 52 25 7 PRO HA H 4.44 0.02 1 53 25 7 PRO HB2 H 2.32 0.02 2 54 25 7 PRO HB3 H 1.95 0.02 2 55 25 7 PRO HG2 H 2.06 0.02 2 56 25 7 PRO HG3 H 1.78 0.02 2 57 25 7 PRO HD2 H 3.82 0.02 1 58 25 7 PRO HD3 H 3.82 0.02 1 59 25 7 PRO C C 176.4 0.20 1 60 25 7 PRO CA C 63.5 0.20 1 61 25 7 PRO CB C 32.5 0.20 1 62 25 7 PRO CG C 27.3 0.20 1 63 25 7 PRO CD C 50.8 0.20 1 64 26 8 GLU H H 8.43 0.02 1 65 26 8 GLU HA H 4.68 0.02 1 66 26 8 GLU HB2 H 1.97 0.02 1 67 26 8 GLU HB3 H 1.97 0.02 1 68 26 8 GLU HG2 H 2.32 0.02 1 69 26 8 GLU HG3 H 2.32 0.02 1 70 26 8 GLU C C 176.6 0.20 1 71 26 8 GLU CA C 55.3 0.20 1 72 26 8 GLU CB C 30.5 0.20 1 73 26 8 GLU CG C 34.5 0.20 1 74 26 8 GLU N N 121.4 0.05 1 75 27 9 GLU H H 8.49 0.02 1 76 27 9 GLU HA H 4.50 0.02 1 77 27 9 GLU HB2 H 2.16 0.02 1 78 27 9 GLU HB3 H 2.16 0.02 1 79 27 9 GLU HG2 H 2.47 0.02 2 80 27 9 GLU HG3 H 2.36 0.02 2 81 27 9 GLU C C 174.3 0.20 1 82 27 9 GLU CA C 56.0 0.20 1 83 27 9 GLU CB C 31.0 0.20 1 84 27 9 GLU CG C 34.6 0.20 1 85 27 9 GLU N N 124.4 0.05 1 86 28 10 MET H H 8.78 0.02 1 87 28 10 MET HA H 5.40 0.02 1 88 28 10 MET HB2 H 2.10 0.02 1 89 28 10 MET HB3 H 2.10 0.02 1 90 28 10 MET HG2 H 2.55 0.02 2 91 28 10 MET HG3 H 2.48 0.02 2 92 28 10 MET HE H 1.94 0.02 1 93 28 10 MET C C 175.2 0.20 1 94 28 10 MET CA C 54.5 0.20 1 95 28 10 MET CB C 34.0 0.20 1 96 28 10 MET CG C 31.8 0.20 1 97 28 10 MET CE C 16.8 0.20 1 98 28 10 MET N N 125.3 0.05 1 99 29 11 ILE H H 8.90 0.02 1 100 29 11 ILE HA H 4.36 0.02 1 101 29 11 ILE HB H 1.56 0.02 1 102 29 11 ILE HG12 H 1.47 0.02 2 103 29 11 ILE HG13 H 1.18 0.02 2 104 29 11 ILE HG2 H 0.80 0.02 1 105 29 11 ILE HD1 H 0.95 0.03 1 106 29 11 ILE C C 173.6 0.20 1 107 29 11 ILE CA C 60.8 0.20 1 108 29 11 ILE CB C 41.0 0.20 1 109 29 11 ILE CG1 C 27.6 0.20 1 110 29 11 ILE CG2 C 17.0 0.20 2 111 29 11 ILE CD1 C 13.8 0.20 2 112 29 11 ILE N N 127.0 0.05 1 113 30 12 GLU H H 8.59 0.02 1 114 30 12 GLU HA H 5.50 0.02 1 115 30 12 GLU HB2 H 1.90 0.02 1 116 30 12 GLU HB3 H 1.90 0.02 1 117 30 12 GLU HG2 H 2.25 0.02 2 118 30 12 GLU HG3 H 2.10 0.02 2 119 30 12 GLU C C 175.1 0.20 1 120 30 12 GLU CA C 54.0 0.20 1 121 30 12 GLU CB C 31.0 0.20 1 122 30 12 GLU CG C 34.6 0.20 1 123 30 12 GLU N N 125.9 0.05 1 124 31 13 LYS H H 8.36 0.02 1 125 31 13 LYS HA H 4.69 0.02 1 126 31 13 LYS HB2 H 1.80 0.02 1 127 31 13 LYS HB3 H 1.80 0.02 1 128 31 13 LYS HG2 H 1.26 0.02 1 129 31 13 LYS HG3 H 1.26 0.02 1 130 31 13 LYS HD2 H 1.86 0.02 1 131 31 13 LYS HD3 H 1.86 0.02 1 132 31 13 LYS HE2 H 3.24 0.02 2 133 31 13 LYS HE3 H 3.01 0.02 2 134 31 13 LYS C C 174.3 0.20 1 135 31 13 LYS CA C 52.5 0.20 1 136 31 13 LYS CB C 37.0 0.20 1 137 31 13 LYS CG C 24.2 0.20 1 138 31 13 LYS CD C 27.8 0.20 1 139 31 13 LYS CE C 41.9 0.20 1 140 31 13 LYS N N 123.8 0.05 1 141 32 14 ALA H H 8.30 0.02 1 142 32 14 ALA HA H 4.75 0.02 1 143 32 14 ALA HB H 1.25 0.02 1 144 32 14 ALA C C 176.2 0.20 1 145 32 14 ALA CA C 50.9 0.20 1 146 32 14 ALA CB C 20.5 0.20 1 147 32 14 ALA N N 122.9 0.05 1 148 33 15 LYS H H 8.00 0.02 1 149 33 15 LYS HA H 3.52 0.02 1 150 33 15 LYS HB2 H 1.76 0.02 2 151 33 15 LYS HB3 H 1.52 0.02 4 152 33 15 LYS HG2 H 1.55 0.02 4 153 33 15 LYS HG3 H 1.39 0.02 2 154 33 15 LYS HD2 H 1.68 0.02 1 155 33 15 LYS HD3 H 1.68 0.02 1 156 33 15 LYS HE2 H 3.05 0.02 1 157 33 15 LYS HE3 H 3.05 0.02 1 158 33 15 LYS C C 177.2 0.20 1 159 33 15 LYS CA C 57.9 0.20 1 160 33 15 LYS CB C 33.0 0.20 1 161 33 15 LYS CG C 24.6 0.20 1 162 33 15 LYS CD C 29.8 0.20 1 163 33 15 LYS CE C 41.9 0.20 1 164 33 15 LYS N N 119.5 0.05 1 165 34 16 GLY H H 9.95 0.02 1 166 34 16 GLY HA2 H 4.35 0.02 2 167 34 16 GLY HA3 H 3.90 0.02 2 168 34 16 GLY C C 175.3 0.20 1 169 34 16 GLY CA C 44.9 0.20 1 170 34 16 GLY N N 116.0 0.05 1 171 35 17 GLU H H 7.85 0.02 1 172 35 17 GLU HA H 4.46 0.02 1 173 35 17 GLU HB2 H 2.37 0.02 2 174 35 17 GLU HB3 H 2.20 0.02 2 175 35 17 GLU HG2 H 2.32 0.02 1 176 35 17 GLU HG3 H 2.32 0.02 1 177 35 17 GLU C C 173.5 0.20 1 178 35 17 GLU CA C 56.0 0.20 1 179 35 17 GLU CB C 30.0 0.20 1 180 35 17 GLU CG C 36.9 0.20 1 181 35 17 GLU N N 120.18 0.05 1 182 36 18 THR H H 8.30 0.02 1 183 36 18 THR HA H 5.15 0.02 1 184 36 18 THR HB H 3.90 0.02 1 185 36 18 THR HG2 H 0.83 0.02 1 186 36 18 THR C C 174.1 0.20 1 187 36 18 THR CA C 61.0 0.20 1 188 36 18 THR CB C 71.0 0.20 1 189 36 18 THR CG2 C 21.5 0.20 1 190 36 18 THR N N 114.6 0.05 1 191 37 19 ALA H H 8.98 0.02 1 192 37 19 ALA HA H 4.60 0.02 1 193 37 19 ALA HB H 1.10 0.02 1 194 37 19 ALA C C 174.4 0.20 1 195 37 19 ALA CA C 50.0 0.20 1 196 37 19 ALA CB C 21.8 0.20 1 197 37 19 ALA N N 127.3 0.05 1 198 38 20 TYR H H 8.54 0.02 1 199 38 20 TYR HA H 4.90 0.02 1 200 38 20 TYR HB2 H 2.84 0.02 1 201 38 20 TYR HB3 H 2.84 0.02 1 202 38 20 TYR HD1 H 7.02 0.02 1 203 38 20 TYR HD2 H 7.02 0.02 1 204 38 20 TYR HE1 H 6.74 0.02 1 205 38 20 TYR HE2 H 6.74 0.02 1 206 38 20 TYR C C 173.4 0.20 1 207 38 20 TYR CA C 56.5 0.20 1 208 38 20 TYR CB C 39.0 0.20 1 209 38 20 TYR CD1 C 133.2 0.20 1 210 38 20 TYR CD2 C 133.2 0.20 1 211 38 20 TYR CE1 C 118.0 0.20 1 212 38 20 TYR CE2 C 118.0 0.20 1 213 38 20 TYR N N 124.5 0.05 1 214 39 21 LEU H H 8.90 0.02 1 215 39 21 LEU HA H 4.67 0.02 1 216 39 21 LEU HB2 H 1.37 0.02 2 217 39 21 LEU HB3 H 1.05 0.02 2 218 39 21 LEU HG H 1.10 0.02 1 219 39 21 LEU HD1 H 0.29 0.02 2 220 39 21 LEU HD2 H 0.05 0.02 2 221 39 21 LEU CA C 51.3 0.20 1 222 39 21 LEU CB C 41.0 0.20 1 223 39 21 LEU CG C 27.9 0.20 1 224 39 21 LEU CD1 C 25.2 0.20 1 225 39 21 LEU CD2 C 25.2 0.20 1 226 39 21 LEU N N 129.8 0.05 1 227 40 22 PRO HA H 4.31 0.03 1 228 40 22 PRO HB2 H 2.13 0.02 2 229 40 22 PRO HB3 H 1.95 0.02 2 230 40 22 PRO HG2 H 1.80 0.02 1 231 40 22 PRO HG3 H 1.80 0.02 1 232 40 22 PRO HD2 H 3.87 0.02 2 233 40 22 PRO HD3 H 3.52 0.02 2 234 40 22 PRO C C 176.2 0.20 1 235 40 22 PRO CA C 61.0 0.20 1 236 40 22 PRO CB C 32.3 0.20 1 237 40 22 PRO CG C 27.5 0.20 1 238 40 22 PRO CD C 51.2 0.20 1 239 41 23 CYS H H 8.59 0.02 1 240 41 23 CYS HA H 4.15 0.02 1 241 41 23 CYS HB2 H 3.43 0.02 2 242 41 23 CYS HB3 H 2.95 0.02 2 243 41 23 CYS C C 170.8 0.20 1 244 41 23 CYS CA C 55.0 0.20 1 245 41 23 CYS CB C 42.2 0.20 1 246 41 23 CYS N N 122.3 0.05 1 247 42 24 LYS H H 8.48 0.02 1 248 42 24 LYS HA H 5.11 0.02 1 249 42 24 LYS HB2 H 1.72 0.02 2 250 42 24 LYS HB3 H 1.64 0.02 2 251 42 24 LYS HG2 H 1.28 0.02 1 252 42 24 LYS HG3 H 1.28 0.02 1 253 42 24 LYS HD2 H 1.58 0.02 2 254 42 24 LYS HD3 H 1.53 0.02 2 255 42 24 LYS HE2 H 2.92 0.02 2 256 42 24 LYS HE3 H 2.85 0.02 2 257 42 24 LYS C C 175.2 0.20 1 258 42 24 LYS CA C 55.0 0.20 1 259 42 24 LYS CB C 34.0 0.20 1 260 42 24 LYS CG C 25.0 0.20 1 261 42 24 LYS CD C 28.7 0.20 1 262 42 24 LYS CE C 42.3 0.20 1 263 42 24 LYS N N 126.4 0.20 1 264 43 25 PHE H H 8.64 0.02 1 265 43 25 PHE HA H 4.91 0.02 1 266 43 25 PHE HB2 H 2.80 0.02 2 267 43 25 PHE HB3 H 2.70 0.02 2 268 43 25 PHE HD1 H 6.86 0.02 1 269 43 25 PHE HD2 H 6.86 0.02 1 270 43 25 PHE HE1 H 7.04 0.03 1 271 43 25 PHE HE2 H 7.04 0.03 1 272 43 25 PHE HZ H 7.14 0.02 1 273 43 25 PHE C C 173.7 0.20 1 274 43 25 PHE CA C 55.7 0.20 1 275 43 25 PHE CB C 42.0 0.20 1 276 43 25 PHE CD1 C 132.5 0.20 1 277 43 25 PHE CD2 C 132.5 0.20 1 278 43 25 PHE CE1 C 130.9 0.20 1 279 43 25 PHE CE2 C 130.9 0.20 1 280 43 25 PHE CZ C 129.9 0.20 1 281 43 25 PHE N N 122.6 0.05 1 282 44 26 THR H H 8.43 0.02 1 283 44 26 THR HA H 4.30 0.02 1 284 44 26 THR HB H 3.98 0.02 1 285 44 26 THR HG2 H 1.15 0.02 1 286 44 26 THR C C 173.6 0.20 1 287 44 26 THR CA C 61.5 0.20 1 288 44 26 THR CB C 69.9 0.20 1 289 44 26 THR CG2 C 21.6 0.20 1 290 44 26 THR N N 118.1 0.05 1 291 45 27 LEU H H 8.62 0.02 1 292 45 27 LEU HA H 4.45 0.02 1 293 45 27 LEU HB2 H 1.72 0.02 2 294 45 27 LEU HB3 H 1.65 0.02 2 295 45 27 LEU HG H 0.93 0.02 1 296 45 27 LEU HD1 H 0.89 0.02 2 297 45 27 LEU HD2 H 0.83 0.02 2 298 45 27 LEU C C 176.0 0.20 1 299 45 27 LEU CA C 54.1 0.20 1 300 45 27 LEU CB C 42.8 0.20 1 301 45 27 LEU CG C 26.0 0.20 1 302 45 27 LEU CD1 C 23.3 0.20 1 303 45 27 LEU CD2 C 23.3 0.20 1 304 45 27 LEU N N 126.9 0.05 1 305 46 28 SER H H 7.90 0.02 1 306 46 28 SER HA H 4.90 0.02 1 307 46 28 SER HB2 H 3.98 0.02 2 308 46 28 SER HB3 H 3.75 0.02 2 309 46 28 SER CA C 55.9 0.20 1 310 46 28 SER CB C 64.0 0.20 1 311 46 28 SER N N 117.4 0.05 1 312 47 29 PRO HA H 4.37 0.02 1 313 47 29 PRO HB2 H 2.38 0.02 2 314 47 29 PRO HB3 H 1.93 0.02 2 315 47 29 PRO HG2 H 2.08 0.02 2 316 47 29 PRO HG3 H 2.03 0.02 2 317 47 29 PRO HD2 H 3.88 0.02 1 318 47 29 PRO HD3 H 3.88 0.02 1 319 47 29 PRO C C 177.2 0.20 1 320 47 29 PRO CA C 64.8 0.20 1 321 47 29 PRO CB C 32.0 0.20 1 322 47 29 PRO CG C 27.2 0.20 1 323 47 29 PRO CD C 51.2 0.20 1 324 48 30 GLU H H 8.25 0.02 1 325 48 30 GLU HA H 4.24 0.02 1 326 48 30 GLU HB2 H 2.09 0.02 2 327 48 30 GLU HB3 H 1.96 0.02 2 328 48 30 GLU HG2 H 2.36 0.02 1 329 48 30 GLU HG3 H 2.36 0.02 1 330 48 30 GLU C C 176.6 0.20 1 331 48 30 GLU CA C 56.7 0.20 1 332 48 30 GLU CB C 28.3 0.20 1 333 48 30 GLU CG C 34.4 0.20 1 334 48 30 GLU N N 114.7 0.05 1 335 49 31 ASP H H 7.87 0.02 1 336 49 31 ASP HA H 4.90 0.02 1 337 49 31 ASP HB2 H 3.04 0.02 1 338 49 31 ASP HB3 H 3.04 0.02 1 339 49 31 ASP C C 174.5 0.20 1 340 49 31 ASP CA C 53.4 0.20 1 341 49 31 ASP CB C 37.1 0.20 1 342 49 31 ASP N N 120.7 0.05 1 343 50 32 GLN H H 8.14 0.02 1 344 50 32 GLN HA H 4.40 0.02 1 345 50 32 GLN HB2 H 2.33 0.02 2 346 50 32 GLN HB3 H 1.92 0.02 2 347 50 32 GLN HG2 H 2.38 0.02 1 348 50 32 GLN HG3 H 2.38 0.02 1 349 50 32 GLN HE21 H 7.39 0.02 2 350 50 32 GLN HE22 H 6.83 0.02 2 351 50 32 GLN C C 176.5 0.20 1 352 50 32 GLN CA C 55.7 0.20 1 353 50 32 GLN CB C 30.5 0.20 1 354 50 32 GLN CG C 33.6 0.20 1 355 50 32 GLN N N 123.4 0.05 1 356 50 32 GLN NE2 N 112.3 0.05 1 357 51 33 GLY H H 8.53 0.02 1 358 51 33 GLY HA2 H 4.23 0.02 2 359 51 33 GLY HA3 H 3.90 0.02 2 360 51 33 GLY CA C 45.2 0.20 1 361 51 33 GLY N N 108.7 0.05 1 362 52 34 PRO HA H 4.40 0.02 1 363 52 34 PRO HB2 H 2.23 0.02 2 364 52 34 PRO HB3 H 2.08 0.02 2 365 52 34 PRO HG2 H 1.95 0.02 1 366 52 34 PRO HG3 H 1.95 0.02 1 367 52 34 PRO HD2 H 3.58 0.02 1 368 52 34 PRO HD3 H 3.58 0.02 1 369 52 34 PRO C C 176.7 0.20 1 370 52 34 PRO CA C 62.70 0.20 1 371 52 34 PRO CB C 32.0 0.20 1 372 52 34 PRO CG C 27.2 0.20 1 373 52 34 PRO CD C 49.8 0.20 1 374 53 35 LEU H H 8.49 0.02 1 375 53 35 LEU HA H 4.75 0.02 1 376 53 35 LEU HB2 H 1.42 0.02 1 377 53 35 LEU HB3 H 1.42 0.02 1 378 53 35 LEU HG H 1.33 0.02 1 379 53 35 LEU HD1 H 0.94 0.02 2 380 53 35 LEU HD2 H 0.73 0.02 2 381 53 35 LEU C C 175.4 0.20 1 382 53 35 LEU CA C 55.2 0.20 1 383 53 35 LEU CB C 43.5 0.20 1 384 53 35 LEU CG C 27.2 0.20 1 385 53 35 LEU CD1 C 23.6 0.20 1 386 53 35 LEU CD2 C 23.6 0.20 1 387 53 35 LEU N N 124.4 0.05 1 388 54 36 ASP H H 9.06 0.02 1 389 54 36 ASP HA H 5.63 0.02 1 390 54 36 ASP HB2 H 2.78 0.02 2 391 54 36 ASP HB3 H 2.67 0.02 2 392 54 36 ASP C C 174.4 0.20 1 393 54 36 ASP CA C 52.8 0.20 1 394 54 36 ASP CB C 42.8 0.20 1 395 54 36 ASP N N 128.0 0.05 1 396 55 37 ILE H H 9.19 0.02 1 397 55 37 ILE HA H 4.92 0.02 1 398 55 37 ILE HB H 1.94 0.02 1 399 55 37 ILE HG12 H 0.89 0.02 1 400 55 37 ILE HG13 H 0.89 0.02 1 401 55 37 ILE HG2 H 1.10 0.02 1 402 55 37 ILE HD1 H 0.67 0.02 1 403 55 37 ILE C C 174.2 0.20 1 404 55 37 ILE CA C 60.0 0.20 1 405 55 37 ILE CB C 42.8 0.20 1 406 55 37 ILE CG1 C 27.5 0.20 1 407 55 37 ILE CG2 C 18.4 0.20 1 408 55 37 ILE CD1 C 14.7 0.20 1 409 55 37 ILE N N 123.2 0.05 1 410 56 38 GLU H H 9.21 0.02 1 411 56 38 GLU HA H 5.50 0.02 1 412 56 38 GLU HB2 H 2.25 0.02 2 413 56 38 GLU HB3 H 2.13 0.02 2 414 56 38 GLU HG2 H 2.30 0.02 1 415 56 38 GLU HG3 H 2.30 0.02 1 416 56 38 GLU C C 173.9 0.20 1 417 56 38 GLU CA C 54.4 0.20 1 418 56 38 GLU CB C 33.5 0.20 1 419 56 38 GLU CG C 33.5 0.20 1 420 56 38 GLU N N 124.8 0.05 1 421 57 39 TRP H H 8.44 0.02 1 422 57 39 TRP HA H 6.05 0.02 1 423 57 39 TRP HB2 H 2.97 0.02 1 424 57 39 TRP HB3 H 2.97 0.02 1 425 57 39 TRP HD1 H 6.76 0.02 1 426 57 39 TRP HE1 H 10.75 0.03 1 427 57 39 TRP HE3 H 7.28 0.02 1 428 57 39 TRP HZ2 H 7.41 0.02 1 429 57 39 TRP HZ3 H 6.66 0.02 4 430 57 39 TRP HH2 H 6.65 0.02 4 431 57 39 TRP C C 176.3 0.20 1 432 57 39 TRP CA C 56.0 0.20 1 433 57 39 TRP CB C 32.0 0.20 1 434 57 39 TRP CD1 C 124.3 0.20 1 435 57 39 TRP CE3 C 119.6 0.20 1 436 57 39 TRP CZ2 C 117.0 0.20 1 437 57 39 TRP CZ3 C 120.5 0.20 1 438 57 39 TRP CH2 C 123.9 0.20 1 439 57 39 TRP N N 119.9 0.05 1 440 58 40 LEU H H 9.39 0.02 1 441 58 40 LEU HA H 5.28 0.02 1 442 58 40 LEU HB2 H 1.48 0.02 2 443 58 40 LEU HB3 H 1.20 0.02 2 444 58 40 LEU HG H 1.37 0.02 1 445 58 40 LEU HD1 H 0.67 0.02 2 446 58 40 LEU HD2 H 0.57 0.02 2 447 58 40 LEU C C 175.1 0.20 1 448 58 40 LEU CA C 53.5 0.20 1 449 58 40 LEU CB C 45.8 0.20 1 450 58 40 LEU CG C 28.4 0.20 1 451 58 40 LEU CD1 C 25.8 0.20 1 452 58 40 LEU CD2 C 25.8 0.20 1 453 58 40 LEU N N 121.5 0.05 1 454 59 41 ILE H H 9.28 0.02 1 455 59 41 ILE HA H 5.28 0.02 1 456 59 41 ILE HB H 0.90 0.02 1 457 59 41 ILE HG12 H 0.26 0.02 2 458 59 41 ILE HG13 H 0.22 0.02 2 459 59 41 ILE HG2 H 0.06 0.02 1 460 59 41 ILE HD1 H 0.40 0.02 1 461 59 41 ILE C C 176.0 0.20 1 462 59 41 ILE CA C 58.5 0.20 1 463 59 41 ILE CB C 42.3 0.20 1 464 59 41 ILE CG1 C 25.3 0.20 1 465 59 41 ILE CG2 C 15.2 0.20 1 466 59 41 ILE CD1 C 14.5 0.20 1 467 59 41 ILE N N 119.7 0.05 1 468 60 42 SER H H 8.25 0.02 1 469 60 42 SER HA H 5.28 0.02 1 470 60 42 SER HB2 H 3.98 0.02 2 471 60 42 SER HB3 H 3.73 0.02 2 472 60 42 SER CA C 54.0 0.20 1 473 60 42 SER CB C 63.7 0.20 1 474 60 42 SER N N 122.3 0.05 1 475 61 43 PRO HA H 4.42 0.02 1 476 61 43 PRO HB2 H 2.32 0.02 2 477 61 43 PRO HB3 H 2.15 0.02 2 478 61 43 PRO HG2 H 2.04 0.02 2 479 61 43 PRO HG3 H 1.95 0.02 2 480 61 43 PRO HD2 H 3.64 0.02 1 481 61 43 PRO HD3 H 3.64 0.02 1 482 61 43 PRO C C 174.4 0.20 1 483 61 43 PRO CA C 62.7 0.20 1 484 61 43 PRO CB C 32.3 0.20 1 485 61 43 PRO CG C 27.0 0.20 1 486 61 43 PRO CD C 50.0 0.20 1 487 62 44 ALA H H 8.54 0.02 1 488 62 44 ALA HA H 4.15 0.02 1 489 62 44 ALA HB H 1.41 0.02 1 490 62 44 ALA C C 178.4 0.02 1 491 62 44 ALA CA C 54.0 0.02 1 492 62 44 ALA CB C 19.0 0.02 1 493 62 44 ALA N N 124.5 0.05 1 494 63 45 ASP H H 8.22 0.02 1 495 63 45 ASP HA H 4.54 0.02 1 496 63 45 ASP HB2 H 3.04 0.02 2 497 63 45 ASP HB3 H 2.80 0.02 2 498 63 45 ASP C C 175.4 0.20 1 499 63 45 ASP CA C 53.0 0.20 1 500 63 45 ASP CB C 38.7 0.20 1 501 63 45 ASP N N 112.9 0.05 1 502 64 46 ASN H H 7.65 0.02 1 503 64 46 ASN HA H 4.68 0.02 1 504 64 46 ASN HB2 H 2.83 0.02 2 505 64 46 ASN HB3 H 2.77 0.02 2 506 64 46 ASN HD21 H 7.59 0.02 2 507 64 46 ASN HD22 H 6.78 0.02 2 508 64 46 ASN C C 174.3 0.20 1 509 64 46 ASN CA C 53.5 0.20 1 510 64 46 ASN CB C 38.5 0.20 1 511 64 46 ASN N N 117.1 0.05 1 512 64 46 ASN ND2 N 111.5 0.05 1 513 65 47 GLN H H 8.41 0.02 1 514 65 47 GLN HA H 4.24 0.02 1 515 65 47 GLN HB2 H 2.18 0.02 2 516 65 47 GLN HB3 H 1.92 0.02 2 517 65 47 GLN HG2 H 2.39 0.02 1 518 65 47 GLN HG3 H 2.39 0.02 1 519 65 47 GLN HE21 H 7.53 0.02 2 520 65 47 GLN HE22 H 6.81 0.02 2 521 65 47 GLN C C 176.5 0.20 1 522 65 47 GLN CA C 57.0 0.20 1 523 65 47 GLN CB C 29.0 0.20 1 524 65 47 GLN CG C 34.4 0.20 1 525 65 47 GLN N N 118.6 0.05 1 526 65 47 GLN NE2 N 112.8 0.05 1 527 66 48 LYS H H 8.12 0.02 1 528 66 48 LYS HA H 4.27 0.02 1 529 66 48 LYS HB2 H 1.78 0.02 2 530 66 48 LYS HB3 H 1.68 0.02 2 531 66 48 LYS HG2 H 1.43 0.02 2 532 66 48 LYS HG3 H 1.39 0.02 2 533 66 48 LYS HD2 H 1.66 0.02 2 534 66 48 LYS HD3 H 1.63 0.02 2 535 66 48 LYS HE2 H 2.99 0.02 1 536 66 48 LYS HE3 H 2.99 0.02 1 537 66 48 LYS C C 176.2 0.20 1 538 66 48 LYS CA C 56.8 0.20 1 539 66 48 LYS CB C 32.8 0.20 1 540 66 48 LYS CG C 25.3 0.20 1 541 66 48 LYS CD C 29.2 0.20 1 542 66 48 LYS CE C 42.1 0.20 1 543 66 48 LYS N N 118.8 0.05 1 544 67 49 VAL H H 7.77 0.02 1 545 67 49 VAL HA H 4.30 0.02 1 546 67 49 VAL HB H 2.08 0.02 1 547 67 49 VAL HG1 H 0.92 0.02 2 548 67 49 VAL HG2 H 0.86 0.02 2 549 67 49 VAL C C 174.9 0.20 1 550 67 49 VAL CA C 60.9 0.20 1 551 67 49 VAL CB C 34.2 0.20 1 552 67 49 VAL CG1 C 21.5 0.20 2 553 67 49 VAL CG2 C 19.6 0.20 2 554 67 49 VAL N N 117.3 0.05 1 555 68 50 ASP H H 8.37 0.02 1 556 68 50 ASP HA H 4.50 0.02 1 557 68 50 ASP HB2 H 2.61 0.02 1 558 68 50 ASP HB3 H 2.61 0.02 1 559 68 50 ASP C C 174.3 0.20 1 560 68 50 ASP CA C 53.9 0.20 1 561 68 50 ASP CB C 38.9 0.20 1 562 68 50 ASP N N 122.4 0.05 1 563 69 51 GLN H H 8.55 0.02 1 564 69 51 GLN HA H 4.52 0.02 1 565 69 51 GLN HB2 H 1.84 0.02 1 566 69 51 GLN HB3 H 1.84 0.02 1 567 69 51 GLN HG2 H 2.09 0.02 1 568 69 51 GLN HG3 H 2.09 0.02 1 569 69 51 GLN HE21 H 7.80 0.02 2 570 69 51 GLN HE22 H 6.78 0.02 2 571 69 51 GLN C C 175.3 0.20 1 572 69 51 GLN CA C 54.0 0.20 1 573 69 51 GLN CB C 30.8 0.20 1 574 69 51 GLN CG C 34.0 0.20 1 575 69 51 GLN N N 120.1 0.05 1 576 69 51 GLN NE2 N 114.4 0.05 1 577 70 52 VAL H H 8.50 0.02 1 578 70 52 VAL HA H 4.05 0.02 1 579 70 52 VAL HB H 1.56 0.02 1 580 70 52 VAL HG1 H 0.67 0.02 2 581 70 52 VAL HG2 H 0.55 0.02 2 582 70 52 VAL C C 175.8 0.20 1 583 70 52 VAL CA C 64.0 0.20 1 584 70 52 VAL CB C 39.8 0.20 1 585 70 52 VAL CG1 C 21.8 0.20 1 586 70 52 VAL CG2 C 21.8 0.20 1 587 70 52 VAL N N 126.7 0.05 1 588 71 53 ILE H H 8.81 0.02 1 589 71 53 ILE HA H 4.75 0.02 1 590 71 53 ILE HB H 1.80 0.02 1 591 71 53 ILE HG12 H 1.37 0.02 2 592 71 53 ILE HG13 H 0.82 0.02 2 593 71 53 ILE HG2 H 0.55 0.02 1 594 71 53 ILE HD1 H 0.67 0.02 1 595 71 53 ILE C C 175.1 0.20 1 596 71 53 ILE CA C 61.4 0.20 1 597 71 53 ILE CB C 39.8 0.20 1 598 71 53 ILE CG1 C 26.6 0.20 1 599 71 53 ILE CG2 C 19.0 0.20 1 600 71 53 ILE CD1 C 13.6 0.20 1 601 71 53 ILE N N 116.2 0.05 1 602 72 54 ILE H H 7.41 0.02 1 603 72 54 ILE HA H 5.00 0.02 1 604 72 54 ILE HB H 1.87 0.02 1 605 72 54 ILE HG12 H 1.13 0.02 1 606 72 54 ILE HG13 H 1.13 0.02 1 607 72 54 ILE HG2 H 0.57 0.02 1 608 72 54 ILE HD1 H 0.35 0.02 1 609 72 54 ILE C C 171.0 0.20 1 610 72 54 ILE CA C 62.0 0.20 1 611 72 54 ILE CB C 39.8 0.20 1 612 72 54 ILE CG1 C 25.4 0.20 1 613 72 54 ILE CG2 C 19.6 0.20 1 614 72 54 ILE CD1 C 14.6 0.20 1 615 72 54 ILE N N 119.3 0.05 1 616 73 55 LEU H H 8.87 0.02 1 617 73 55 LEU HA H 5.66 0.02 1 618 73 55 LEU HB2 H 2.22 0.02 2 619 73 55 LEU HB3 H 1.68 0.02 2 620 73 55 LEU HG H 1.61 0.02 1 621 73 55 LEU HD1 H 1.01 0.02 1 622 73 55 LEU HD2 H 1.01 0.02 1 623 73 55 LEU C C 174.4 0.20 1 624 73 55 LEU CA C 54.5 0.20 1 625 73 55 LEU CB C 47.5 0.20 1 626 73 55 LEU CG C 30.7 0.20 1 627 73 55 LEU CD1 C 26.4 0.20 1 628 73 55 LEU CD2 C 26.4 0.20 1 629 73 55 LEU N N 127.5 0.20 1 630 74 56 TYR H H 9.98 0.02 1 631 74 56 TYR HA H 5.85 0.02 1 632 74 56 TYR HB2 H 2.93 0.02 2 633 74 56 TYR HB3 H 2.82 0.02 2 634 74 56 TYR HD1 H 6.78 0.02 1 635 74 56 TYR HD2 H 6.78 0.02 1 636 74 56 TYR HE1 H 6.56 0.02 1 637 74 56 TYR HE2 H 6.56 0.02 1 638 74 56 TYR C C 174.6 0.20 1 639 74 56 TYR CA C 56.2 0.20 1 640 74 56 TYR CB C 42.0 0.20 1 641 74 56 TYR CD1 C 133.6 0.20 1 642 74 56 TYR CD2 C 133.6 0.20 1 643 74 56 TYR CE1 C 118.0 0.20 1 644 74 56 TYR CE2 C 118.0 0.20 1 645 74 56 TYR N N 127.2 0.05 1 646 75 57 SER H H 8.59 0.02 1 647 75 57 SER HA H 4.75 0.02 1 648 75 57 SER HB2 H 3.90 0.02 2 649 75 57 SER HB3 H 3.50 0.02 2 650 75 57 SER C C 177.8 0.20 1 651 75 57 SER CA C 57.0 0.20 1 652 75 57 SER CB C 64.5 0.20 1 653 75 57 SER N N 119.0 0.05 1 654 76 58 GLY H H 9.44 0.02 1 655 76 58 GLY HA2 H 3.75 0.02 1 656 76 58 GLY HA3 H 3.75 0.02 1 657 76 58 GLY C C 174.6 0.20 1 658 76 58 GLY CA C 47.7 0.02 1 659 76 58 GLY N N 120.7 0.05 1 660 77 59 ASP H H 8.09 0.02 1 661 77 59 ASP HA H 4.10 0.02 1 662 77 59 ASP HB2 H 3.04 0.02 2 663 77 59 ASP HB3 H 2.85 0.02 2 664 77 59 ASP C C 173.7 0.20 1 665 77 59 ASP CA C 54.8 0.20 1 666 77 59 ASP CB C 39.4 0.20 1 667 77 59 ASP N N 111.6 0.05 1 668 78 60 LYS H H 7.28 0.02 1 669 78 60 LYS HA H 4.56 0.02 1 670 78 60 LYS HB2 H 1.62 0.02 2 671 78 60 LYS HB3 H 1.47 0.02 2 672 78 60 LYS HG2 H 1.34 0.02 2 673 78 60 LYS HG3 H 1.12 0.02 2 674 78 60 LYS HD2 H 1.60 0.02 2 675 78 60 LYS HD3 H 1.56 0.02 2 676 78 60 LYS HE2 H 2.92 0.02 1 677 78 60 LYS HE3 H 2.92 0.02 1 678 78 60 LYS C C 173.2 0.20 1 679 78 60 LYS CA C 55.2 0.20 1 680 78 60 LYS CB C 36.5 0.20 1 681 78 60 LYS CG C 25.0 0.20 1 682 78 60 LYS CD C 29.2 0.20 1 683 78 60 LYS CE C 42.3 0.20 1 684 78 60 LYS N N 119.7 0.05 1 685 79 61 ILE H H 8.06 0.02 1 686 79 61 ILE HA H 5.00 0.02 1 687 79 61 ILE HB H 1.75 0.02 1 688 79 61 ILE HG2 H 1.18 0.02 1 689 79 61 ILE HD1 H 1.23 0.02 1 690 79 61 ILE C C 175.8 0.20 1 691 79 61 ILE CA C 61.0 0.20 1 692 79 61 ILE CB C 40.0 0.20 1 693 79 61 ILE CG2 C 17.8 0.20 1 694 79 61 ILE CD1 C 14.6 0.20 1 695 79 61 ILE N N 120.7 0.05 1 696 80 62 TYR H H 9.74 0.02 1 697 80 62 TYR HA H 4.75 0.02 1 698 80 62 TYR HB2 H 3.25 0.02 2 699 80 62 TYR HB3 H 3.15 0.02 2 700 80 62 TYR HD1 H 7.12 0.02 1 701 80 62 TYR HD2 H 7.12 0.02 1 702 80 62 TYR HE1 H 6.80 0.02 1 703 80 62 TYR HE2 H 6.80 0.02 1 704 80 62 TYR C C 175.1 0.20 1 705 80 62 TYR CA C 57.3 0.20 1 706 80 62 TYR CB C 40.3 0.20 1 707 80 62 TYR CD1 C 134.3 0.20 1 708 80 62 TYR CD2 C 134.3 0.20 1 709 80 62 TYR CE1 C 117.7 0.20 1 710 80 62 TYR CE2 C 117.7 0.20 1 711 80 62 TYR N N 128.7 0.05 1 712 81 63 ASP H H 8.54 0.02 1 713 81 63 ASP HA H 5.08 0.02 1 714 81 63 ASP HB2 H 3.15 0.02 2 715 81 63 ASP HB3 H 2.81 0.02 2 716 81 63 ASP C C 175.3 0.20 1 717 81 63 ASP CA C 52.5 0.20 1 718 81 63 ASP CB C 40.5 0.20 1 719 81 63 ASP N N 121.2 0.05 1 720 82 64 ASP H H 8.27 0.02 1 721 82 64 ASP HA H 4.93 0.02 1 722 82 64 ASP HB2 H 2.78 0.02 2 723 82 64 ASP HB3 H 2.65 0.02 2 724 82 64 ASP C C 175.2 0.20 1 725 82 64 ASP CA C 53.2 0.20 1 726 82 64 ASP CB C 39.0 0.20 1 727 82 64 ASP N N 118.6 0.05 1 728 83 65 TYR H H 7.69 0.02 1 729 83 65 TYR HA H 4.40 0.02 1 730 83 65 TYR HB2 H 3.20 0.02 2 731 83 65 TYR HB3 H 2.60 0.02 2 732 83 65 TYR HD1 H 6.88 0.02 1 733 83 65 TYR HD2 H 6.88 0.02 1 734 83 65 TYR HE1 H 6.72 0.02 1 735 83 65 TYR HE2 H 6.72 0.02 1 736 83 65 TYR C C 176.1 0.20 1 737 83 65 TYR CA C 59.5 0.20 1 738 83 65 TYR CB C 41.5 0.20 1 739 83 65 TYR CD1 C 132.6 0.20 1 740 83 65 TYR CD2 C 132.6 0.20 1 741 83 65 TYR CE1 C 118.7 0.20 1 742 83 65 TYR CE2 C 118.7 0.20 1 743 83 65 TYR N N 118.0 0.05 1 744 84 66 TYR H H 8.88 0.02 1 745 84 66 TYR HA H 5.15 0.02 1 746 84 66 TYR HB2 H 3.31 0.02 2 747 84 66 TYR HB3 H 2.96 0.02 2 748 84 66 TYR HD1 H 7.02 0.02 1 749 84 66 TYR HD2 H 7.02 0.02 1 750 84 66 TYR HE1 H 6.82 0.02 1 751 84 66 TYR HE2 H 6.82 0.02 1 752 84 66 TYR CA C 55.5 0.20 1 753 84 66 TYR CB C 40.0 0.20 1 754 84 66 TYR CD1 C 133.2 0.20 1 755 84 66 TYR CD2 C 133.2 0.20 1 756 84 66 TYR CE1 C 117.7 0.20 1 757 84 66 TYR CE2 C 117.7 0.20 1 758 84 66 TYR N N 122.7 0.05 1 759 85 67 PRO HA H 4.08 0.02 1 760 85 67 PRO HB2 H 2.31 0.02 2 761 85 67 PRO HB3 H 1.92 0.02 2 762 85 67 PRO HG2 H 2.01 0.02 2 763 85 67 PRO HG3 H 1.84 0.02 2 764 85 67 PRO HD2 H 3.62 0.02 1 765 85 67 PRO HD3 H 3.62 0.02 1 766 85 67 PRO C C 178.6 0.20 1 767 85 67 PRO CA C 66.0 0.20 1 768 85 67 PRO CB C 32.0 0.20 1 769 85 67 PRO CG C 26.2 0.20 1 770 85 67 PRO CD C 51.2 0.20 1 771 86 68 ASP H H 8.08 0.02 1 772 86 68 ASP HA H 4.30 0.02 1 773 86 68 ASP HB2 H 2.74 0.02 2 774 86 68 ASP HB3 H 2.32 0.02 2 775 86 68 ASP C C 176.6 0.20 1 776 86 68 ASP CA C 56.0 0.20 1 777 86 68 ASP CB C 39.0 0.20 1 778 86 68 ASP N N 115.5 0.05 1 779 87 69 LEU H H 7.87 0.02 1 780 87 69 LEU HA H 4.40 0.02 1 781 87 69 LEU HB2 H 1.63 0.02 1 782 87 69 LEU HB3 H 1.63 0.02 1 783 87 69 LEU HG H 0.94 0.02 1 784 87 69 LEU HD1 H 0.90 0.02 2 785 87 69 LEU HD2 H 0.84 0.02 2 786 87 69 LEU C C 176.4 0.20 1 787 87 69 LEU CA C 54.3 0.20 1 788 87 69 LEU CB C 44.0 0.20 1 789 87 69 LEU CG C 26.8 0.20 1 790 87 69 LEU CD1 C 24.4 0.20 1 791 87 69 LEU CD2 C 24.4 0.20 1 792 87 69 LEU N N 115.5 0.05 1 793 88 70 LYS H H 7.41 0.02 1 794 88 70 LYS HA H 4.17 0.02 1 795 88 70 LYS HB2 H 1.93 0.02 2 796 88 70 LYS HB3 H 1.78 0.02 2 797 88 70 LYS HG2 H 1.45 0.02 2 798 88 70 LYS HG3 H 1.34 0.02 2 799 88 70 LYS HD2 H 1.69 0.02 1 800 88 70 LYS HD3 H 1.69 0.02 1 801 88 70 LYS HE2 H 2.95 0.02 1 802 88 70 LYS HE3 H 2.95 0.02 1 803 88 70 LYS C C 178.2 0.20 1 804 88 70 LYS CA C 59.0 0.20 1 805 88 70 LYS CB C 32.5 0.20 1 806 88 70 LYS CG C 24.4 0.20 1 807 88 70 LYS CD C 29.4 0.20 1 808 88 70 LYS CE C 42.0 0.20 1 809 88 70 LYS N N 122.8 0.05 1 810 89 71 GLY H H 8.95 0.02 1 811 89 71 GLY HA2 H 4.20 0.02 2 812 89 71 GLY HA3 H 3.82 0.02 2 813 89 71 GLY C C 175.3 0.20 1 814 89 71 GLY CA C 46.0 0.20 1 815 89 71 GLY N N 116.1 0.05 1 816 90 72 ARG H H 8.31 0.02 1 817 90 72 ARG HA H 4.63 0.02 1 818 90 72 ARG HB2 H 2.30 0.02 2 819 90 72 ARG HB3 H 1.52 0.02 2 820 90 72 ARG HG2 H 1.70 0.02 2 821 90 72 ARG HG3 H 0.72 0.02 2 822 90 72 ARG HD2 H 3.06 0.02 2 823 90 72 ARG HD3 H 2.89 0.02 2 824 90 72 ARG HE H 6.65 0.02 1 825 90 72 ARG C C 174.2 0.20 1 826 90 72 ARG CA C 56.5 0.20 1 827 90 72 ARG CB C 31.0 0.20 1 828 90 72 ARG CG C 29.2 0.20 1 829 90 72 ARG CD C 42.7 0.20 1 830 90 72 ARG N N 117.8 0.05 1 831 90 72 ARG NE N 81.3 0.05 1 832 91 73 VAL H H 7.29 0.02 1 833 91 73 VAL HA H 5.20 0.02 1 834 91 73 VAL HB H 1.79 0.02 1 835 91 73 VAL HG1 H 0.74 0.02 2 836 91 73 VAL HG2 H 0.72 0.02 2 837 91 73 VAL C C 174.2 0.20 1 838 91 73 VAL CA C 59.0 0.20 1 839 91 73 VAL CB C 34.5 0.20 1 840 91 73 VAL CG1 C 22.9 0.20 2 841 91 73 VAL CG2 C 20.0 0.20 2 842 91 73 VAL N N 115.3 0.05 1 843 92 74 HIS H H 7.92 0.02 1 844 92 74 HIS HA H 4.70 0.02 1 845 92 74 HIS HB2 H 2.85 0.02 1 846 92 74 HIS HB3 H 2.85 0.02 1 847 92 74 HIS HD2 H 7.06 0.02 1 848 92 74 HIS HE1 H 8.35 0.02 1 849 92 74 HIS C C 174.1 0.20 1 850 92 74 HIS CA C 54.0 0.20 1 851 92 74 HIS CB C 32.0 0.20 1 852 92 74 HIS CD2 C 120.6 0.20 1 853 92 74 HIS CE1 C 135.8 0.20 1 854 92 74 HIS N N 121.4 0.20 1 855 93 75 PHE H H 9.39 0.02 1 856 93 75 PHE HA H 5.13 0.02 1 857 93 75 PHE HB2 H 3.75 0.02 2 858 93 75 PHE HB3 H 2.81 0.02 2 859 93 75 PHE HD1 H 7.43 0.02 1 860 93 75 PHE HD2 H 7.43 0.02 1 861 93 75 PHE HE1 H 7.31 0.02 1 862 93 75 PHE HE2 H 7.31 0.02 1 863 93 75 PHE HZ H 6.98 0.02 1 864 93 75 PHE C C 178.2 0.20 1 865 93 75 PHE CA C 59.6 0.20 1 866 93 75 PHE CB C 38.9 0.20 1 867 93 75 PHE CD1 C 133.6 0.20 1 868 93 75 PHE CD2 C 133.6 0.20 1 869 93 75 PHE CE1 C 130.6 0.20 1 870 93 75 PHE CE2 C 130.6 0.20 1 871 93 75 PHE CZ C 128.3 0.20 1 872 93 75 PHE N N 122.8 0.05 1 873 94 76 THR H H 8.40 0.02 1 874 94 76 THR HA H 4.00 0.02 1 875 94 76 THR HB H 4.00 0.02 1 876 94 76 THR HG2 H 1.06 0.02 1 877 94 76 THR C C 175.8 0.20 1 878 94 76 THR CA C 64.0 0.20 1 879 94 76 THR CB C 68.3 0.20 1 880 94 76 THR CG2 C 23.1 0.20 1 881 94 76 THR N N 116.7 0.05 1 882 95 77 SER H H 9.23 0.02 1 883 95 77 SER HA H 4.40 0.02 1 884 95 77 SER HB2 H 3.86 0.02 2 885 95 77 SER HB3 H 3.66 0.02 2 886 95 77 SER C C 174.7 0.20 1 887 95 77 SER CA C 57.2 0.20 1 888 95 77 SER CB C 64.3 0.20 1 889 95 77 SER N N 118.4 0.05 1 890 96 78 ASN H H 8.48 0.02 1 891 96 78 ASN HA H 4.70 0.02 1 892 96 78 ASN HB2 H 2.84 0.02 1 893 96 78 ASN HB3 H 2.84 0.02 1 894 96 78 ASN HD21 H 7.59 0.02 1 895 96 78 ASN HD22 H 7.59 0.02 1 896 96 78 ASN C C 175.3 0.20 1 897 96 78 ASN CA C 53.5 0.20 1 898 96 78 ASN CB C 38.5 0.20 1 899 96 78 ASN N N 121.9 0.05 1 900 96 78 ASN ND2 N 112.6 0.05 1 901 97 79 ASP H H 8.65 0.02 1 902 97 79 ASP HA H 4.85 0.02 1 903 97 79 ASP HB2 H 2.78 0.02 2 904 97 79 ASP HB3 H 2.50 0.02 2 905 97 79 ASP C C 175.8 0.20 1 906 97 79 ASP CA C 52.5 0.20 1 907 97 79 ASP CB C 39.5 0.20 1 908 97 79 ASP N N 120.7 0.05 1 909 98 80 LEU H H 8.06 0.02 1 910 98 80 LEU HA H 3.90 0.02 1 911 98 80 LEU HB2 H 0.88 0.02 1 912 98 80 LEU HB3 H 0.88 0.02 1 913 98 80 LEU HG H 0.95 0.02 1 914 98 80 LEU HD1 H 0.02 0.02 2 915 98 80 LEU HD2 H -0.16 0.02 2 916 98 80 LEU C C 178.0 0.20 1 917 98 80 LEU CA C 57.8 0.20 1 918 98 80 LEU CB C 41.0 0.20 1 919 98 80 LEU CG C 27.2 0.20 1 920 98 80 LEU CD1 C 24.3 0.20 2 921 98 80 LEU CD2 C 23.9 0.20 2 922 98 80 LEU N N 127.6 0.05 1 923 99 81 LYS H H 7.83 0.02 1 924 99 81 LYS HA H 3.90 0.02 1 925 99 81 LYS HB2 H 1.86 0.02 1 926 99 81 LYS HB3 H 1.86 0.02 1 927 99 81 LYS HG2 H 1.45 0.02 1 928 99 81 LYS HG3 H 1.45 0.02 1 929 99 81 LYS HD2 H 1.76 0.02 1 930 99 81 LYS HD3 H 1.76 0.02 1 931 99 81 LYS HE2 H 3.05 0.02 1 932 99 81 LYS HE3 H 3.05 0.02 1 933 99 81 LYS C C 177.1 0.20 1 934 99 81 LYS CA C 58.0 0.20 1 935 99 81 LYS CB C 31.8 0.20 1 936 99 81 LYS CG C 25.2 0.20 1 937 99 81 LYS CD C 29.2 0.20 1 938 99 81 LYS CE C 41.9 0.20 1 939 99 81 LYS N N 113.4 0.05 1 940 100 82 SER H H 7.59 0.02 1 941 100 82 SER HA H 4.28 0.02 1 942 100 82 SER HB2 H 3.95 0.02 2 943 100 82 SER HB3 H 3.85 0.02 2 944 100 82 SER C C 174.8 0.20 1 945 100 82 SER CA C 59.0 0.20 1 946 100 82 SER CB C 64.0 0.20 1 947 100 82 SER N N 112.6 0.05 1 948 101 83 GLY H H 7.56 0.02 1 949 101 83 GLY HA2 H 4.30 0.02 2 950 101 83 GLY HA3 H 2.30 0.02 2 951 101 83 GLY C C 172.6 0.20 1 952 101 83 GLY CA C 45.0 0.20 1 953 101 83 GLY N N 108.3 0.05 1 954 102 84 ASP H H 7.33 0.02 1 955 102 84 ASP HA H 4.96 0.02 1 956 102 84 ASP HB2 H 2.98 0.02 2 957 102 84 ASP HB3 H 2.29 0.02 2 958 102 84 ASP C C 174.2 0.20 1 959 102 84 ASP CA C 53.4 0.20 1 960 102 84 ASP CB C 40.5 0.20 1 961 102 84 ASP N N 118.3 0.05 1 962 103 85 ALA H H 8.72 0.02 1 963 103 85 ALA HA H 4.65 0.02 1 964 103 85 ALA HB H 1.63 0.02 1 965 103 85 ALA C C 174.3 0.20 1 966 103 85 ALA CA C 51.0 0.20 1 967 103 85 ALA CB C 20.5 0.20 1 968 103 85 ALA N N 129.0 0.05 1 969 104 86 SER H H 8.28 0.02 1 970 104 86 SER HA H 4.75 0.02 1 971 104 86 SER HB2 H 3.90 0.02 2 972 104 86 SER HB3 H 3.75 0.02 2 973 104 86 SER C C 174.1 0.20 1 974 104 86 SER CA C 60.8 0.20 1 975 104 86 SER CB C 63.2 0.20 1 976 104 86 SER N N 115.8 0.05 1 977 105 87 ILE H H 7.75 0.02 1 978 105 87 ILE HA H 5.20 0.02 1 979 105 87 ILE HB H 1.05 0.02 1 980 105 87 ILE HG12 H 0.34 0.02 2 981 105 87 ILE HG13 H 0.05 0.02 2 982 105 87 ILE HG2 H -0.03 0.02 1 983 105 87 ILE HD1 H -0.67 0.02 1 984 105 87 ILE C C 174.4 0.20 1 985 105 87 ILE CA C 58.9 0.20 1 986 105 87 ILE CB C 42.5 0.20 1 987 105 87 ILE CG1 C 26.2 0.20 1 988 105 87 ILE CG2 C 17.0 0.20 1 989 105 87 ILE CD1 C 12.2 0.20 1 990 105 87 ILE N N 113.8 0.05 1 991 106 88 ASN H H 8.49 0.02 1 992 106 88 ASN HA H 5.62 0.02 1 993 106 88 ASN HB2 H 2.12 0.02 2 994 106 88 ASN HB3 H 2.09 0.02 2 995 106 88 ASN HD21 H 7.01 0.02 2 996 106 88 ASN HD22 H 6.81 0.02 2 997 106 88 ASN C C 174.6 0.20 1 998 106 88 ASN CA C 50.8 0.20 1 999 106 88 ASN CB C 42.0 0.20 1 1000 106 88 ASN N N 115.9 0.05 1 1001 106 88 ASN ND2 N 109.8 0.05 1 1002 107 89 VAL H H 8.17 0.02 1 1003 107 89 VAL HA H 4.94 0.02 1 1004 107 89 VAL HB H 1.55 0.02 1 1005 107 89 VAL HG1 H 0.66 0.02 2 1006 107 89 VAL HG2 H 0.43 0.02 2 1007 107 89 VAL C C 176.0 0.20 1 1008 107 89 VAL CA C 61.0 0.20 1 1009 107 89 VAL CB C 33.8 0.20 1 1010 107 89 VAL CG1 C 22.0 0.20 2 1011 107 89 VAL CG2 C 19.7 0.20 2 1012 107 89 VAL N N 120.2 0.05 1 1013 108 90 THR H H 8.90 0.02 1 1014 108 90 THR HA H 4.58 0.02 1 1015 108 90 THR HB H 4.15 0.02 1 1016 108 90 THR HG2 H 1.17 0.02 1 1017 108 90 THR C C 173.1 0.20 1 1018 108 90 THR CA C 60.5 0.20 1 1019 108 90 THR CB C 70.5 0.20 1 1020 108 90 THR CG2 C 22.0 0.20 1 1021 108 90 THR N N 117.0 0.05 1 1022 109 91 ASN H H 8.14 0.02 1 1023 109 91 ASN HA H 3.96 0.02 1 1024 109 91 ASN HB2 H 2.95 0.02 2 1025 109 91 ASN HB3 H 2.42 0.02 2 1026 109 91 ASN HD21 H 7.38 0.02 2 1027 109 91 ASN HD22 H 6.75 0.02 2 1028 109 91 ASN C C 174.3 0.20 1 1029 109 91 ASN CA C 53.0 0.20 1 1030 109 91 ASN CB C 37.8 0.20 1 1031 109 91 ASN N N 116.3 0.05 1 1032 109 91 ASN ND2 N 110.6 0.05 1 1033 110 92 LEU H H 8.28 0.02 1 1034 110 92 LEU HA H 3.94 0.02 1 1035 110 92 LEU HB2 H 1.63 0.02 2 1036 110 92 LEU HB3 H 1.19 0.02 2 1037 110 92 LEU HG H 1.78 0.02 2 1038 110 92 LEU HD1 H 0.72 0.02 2 1039 110 92 LEU HD2 H 0.60 0.02 2 1040 110 92 LEU C C 177.8 0.20 1 1041 110 92 LEU CA C 56.5 0.20 1 1042 110 92 LEU CB C 44.0 0.20 1 1043 110 92 LEU CG C 26.5 0.20 1 1044 110 92 LEU CD1 C 27.8 0.20 2 1045 110 92 LEU CD2 C 24.0 0.20 2 1046 110 92 LEU N N 115.2 0.05 1 1047 111 93 GLN H H 9.43 0.02 1 1048 111 93 GLN HA H 4.55 0.02 1 1049 111 93 GLN HB2 H 2.62 0.02 2 1050 111 93 GLN HB3 H 2.41 0.02 2 1051 111 93 GLN HG2 H 2.31 0.02 1 1052 111 93 GLN HG3 H 2.31 0.02 1 1053 111 93 GLN HE21 H 7.28 0.02 2 1054 111 93 GLN HE22 H 6.78 0.02 2 1055 111 93 GLN C C 177.0 0.20 1 1056 111 93 GLN CA C 52.5 0.20 1 1057 111 93 GLN CB C 32.3 0.20 1 1058 111 93 GLN CG C 32.5 0.20 1 1059 111 93 GLN N N 120.5 0.05 1 1060 111 93 GLN NE2 N 114.4 0.05 1 1061 112 94 LEU H H 9.10 0.02 1 1062 112 94 LEU HA H 3.88 0.02 1 1063 112 94 LEU HB2 H 1.67 0.02 1 1064 112 94 LEU HB3 H 1.67 0.02 1 1065 112 94 LEU HG H 1.68 0.02 1 1066 112 94 LEU HD1 H 0.94 0.02 2 1067 112 94 LEU HD2 H 0.82 0.02 2 1068 112 94 LEU C C 179.2 0.20 1 1069 112 94 LEU CA C 58.5 0.20 1 1070 112 94 LEU CB C 40.5 0.20 1 1071 112 94 LEU CG C 28.0 0.20 1 1072 112 94 LEU CD1 C 24.9 0.20 2 1073 112 94 LEU CD2 C 23.1 0.20 2 1074 112 94 LEU N N 122.6 0.05 1 1075 113 95 SER H H 7.92 0.02 1 1076 113 95 SER HA H 4.20 0.02 1 1077 113 95 SER HB2 H 3.79 0.02 1 1078 113 95 SER HB3 H 3.79 0.02 1 1079 113 95 SER C C 175.1 0.20 1 1080 113 95 SER CA C 59.8 0.20 1 1081 113 95 SER CB C 62.5 0.20 1 1082 113 95 SER N N 110.7 0.05 1 1083 114 96 ASP H H 7.98 0.02 1 1084 114 96 ASP HA H 4.62 0.02 1 1085 114 96 ASP HB2 H 2.82 0.02 2 1086 114 96 ASP HB3 H 2.71 0.02 2 1087 114 96 ASP C C 176.3 0.20 1 1088 114 96 ASP CA C 55.0 0.20 1 1089 114 96 ASP CB C 41.0 0.20 1 1090 114 96 ASP N N 122.0 0.05 1 1091 115 97 ILE H H 7.14 0.02 1 1092 115 97 ILE HA H 3.98 0.02 1 1093 115 97 ILE HB H 1.93 0.02 1 1094 115 97 ILE HG12 H 2.19 0.02 1 1095 115 97 ILE HG13 H 2.19 0.02 1 1096 115 97 ILE HG2 H 1.23 0.02 1 1097 115 97 ILE HD1 H 1.30 0.02 1 1098 115 97 ILE C C 176.7 0.20 1 1099 115 97 ILE CA C 63.3 0.20 1 1100 115 97 ILE CB C 38.8 0.20 1 1101 115 97 ILE CG1 C 31.5 0.20 1 1102 115 97 ILE CG2 C 17.5 0.20 1 1103 115 97 ILE CD1 C 13.5 0.20 1 1104 115 97 ILE N N 118.2 0.05 1 1105 116 98 GLY H H 8.38 0.02 1 1106 116 98 GLY HA2 H 4.28 0.02 2 1107 116 98 GLY HA3 H 4.20 0.02 2 1108 116 98 GLY C C 171.2 0.20 1 1109 116 98 GLY CA C 45.3 0.20 1 1110 116 98 GLY N N 113.1 0.05 1 1111 117 99 THR H H 8.05 0.02 1 1112 117 99 THR HA H 5.16 0.02 1 1113 117 99 THR HB H 3.98 0.02 1 1114 117 99 THR HG2 H 1.05 0.02 1 1115 117 99 THR C C 173.2 0.20 1 1116 117 99 THR CA C 62.0 0.20 1 1117 117 99 THR CB C 69.5 0.20 1 1118 117 99 THR CG2 C 21.8 0.20 1 1119 117 99 THR N N 117.1 0.05 1 1120 118 100 TYR H H 10.12 0.02 1 1121 118 100 TYR HA H 5.35 0.02 1 1122 118 100 TYR HB2 H 3.10 0.02 2 1123 118 100 TYR HB3 H 2.97 0.02 2 1124 118 100 TYR HD1 H 6.78 0.02 1 1125 118 100 TYR HD2 H 6.78 0.02 1 1126 118 100 TYR HE1 H 6.42 0.02 1 1127 118 100 TYR HE2 H 6.42 0.02 1 1128 118 100 TYR C C 174.6 0.20 1 1129 118 100 TYR CA C 56.7 0.20 1 1130 118 100 TYR CB C 40.5 0.20 1 1131 118 100 TYR CD1 C 132.2 0.20 1 1132 118 100 TYR CD2 C 132.2 0.20 1 1133 118 100 TYR CE1 C 117.5 0.20 1 1134 118 100 TYR CE2 C 117.5 0.20 1 1135 118 100 TYR N N 131.8 0.05 1 1136 119 101 GLN H H 9.61 0.02 1 1137 119 101 GLN HA H 5.26 0.02 1 1138 119 101 GLN HB2 H 1.94 0.02 2 1139 119 101 GLN HB3 H 1.93 0.02 2 1140 119 101 GLN HG2 H 2.16 0.02 2 1141 119 101 GLN HG3 H 1.88 0.02 2 1142 119 101 GLN HE21 H 7.36 0.02 2 1143 119 101 GLN HE22 H 6.87 0.02 2 1144 119 101 GLN C C 173.6 0.20 1 1145 119 101 GLN CA C 53.5 0.20 1 1146 119 101 GLN CB C 32.5 0.20 1 1147 119 101 GLN CG C 34.0 0.20 1 1148 119 101 GLN N N 122.5 0.05 1 1149 119 101 GLN NE2 N 111.6 0.05 1 1150 120 102 CYS H H 8.59 0.02 1 1151 120 102 CYS HA H 3.42 0.02 1 1152 120 102 CYS HB2 H 1.00 0.02 1 1153 120 102 CYS HB3 H 1.00 0.02 1 1154 120 102 CYS C C 172.9 0.20 1 1155 120 102 CYS CA C 53.3 0.20 1 1156 120 102 CYS CB C 44.3 0.20 1 1157 120 102 CYS N N 126.2 0.05 1 1158 121 103 LYS H H 8.83 0.02 1 1159 121 103 LYS HA H 4.93 0.02 1 1160 121 103 LYS HB2 H 1.60 0.02 2 1161 121 103 LYS HB3 H 1.50 0.02 2 1162 121 103 LYS HG2 H 1.15 0.02 1 1163 121 103 LYS HG3 H 1.15 0.02 1 1164 121 103 LYS HD2 H 1.45 0.02 1 1165 121 103 LYS HD3 H 1.45 0.02 1 1166 121 103 LYS HE2 H 2.72 0.02 1 1167 121 103 LYS HE3 H 2.72 0.02 1 1168 121 103 LYS C C 174.6 0.20 1 1169 121 103 LYS CA C 55.2 0.20 1 1170 121 103 LYS CB C 34.2 0.20 1 1171 121 103 LYS CG C 24.6 0.20 1 1172 121 103 LYS CD C 29.2 0.20 1 1173 121 103 LYS CE C 41.5 0.20 1 1174 121 103 LYS N N 127.2 0.05 1 1175 122 104 VAL H H 8.65 0.02 1 1176 122 104 VAL HA H 4.42 0.02 1 1177 122 104 VAL HB H 1.53 0.02 1 1178 122 104 VAL HG1 H 0.58 0.02 2 1179 122 104 VAL HG2 H 0.15 0.02 2 1180 122 104 VAL C C 174.4 0.20 1 1181 122 104 VAL CA C 61.0 0.20 1 1182 122 104 VAL CB C 34.2 0.20 1 1183 122 104 VAL CG1 C 20.5 0.20 2 1184 122 104 VAL CG2 C 20.2 0.20 2 1185 122 104 VAL N N 125.8 0.05 1 1186 123 105 LYS H H 8.86 0.02 1 1187 123 105 LYS HA H 4.72 0.02 1 1188 123 105 LYS HB2 H 1.85 0.02 2 1189 123 105 LYS HB3 H 1.66 0.02 2 1190 123 105 LYS HG2 H 1.38 0.02 1 1191 123 105 LYS HG3 H 1.38 0.02 1 1192 123 105 LYS HD2 H 1.60 0.02 1 1193 123 105 LYS HD3 H 1.60 0.02 1 1194 123 105 LYS HE2 H 3.06 0.02 1 1195 123 105 LYS HE3 H 3.06 0.02 1 1196 123 105 LYS C C 174.0 0.20 1 1197 123 105 LYS CA C 55.0 0.20 1 1198 123 105 LYS CB C 36.0 0.20 1 1199 123 105 LYS CG C 24.8 0.20 1 1200 123 105 LYS CD C 29.6 0.20 1 1201 123 105 LYS CE C 41.8 0.20 1 1202 123 105 LYS N N 127.8 0.05 1 1203 124 106 LYS H H 7.87 0.02 1 1204 124 106 LYS HA H 4.16 0.02 1 1205 124 106 LYS HB2 H 1.82 0.02 2 1206 124 106 LYS HB3 H 1.71 0.02 2 1207 124 106 LYS HG2 H 1.10 0.02 2 1208 124 106 LYS HG3 H 0.95 0.02 2 1209 124 106 LYS HD2 H 1.68 0.02 1 1210 124 106 LYS HD3 H 1.68 0.02 1 1211 124 106 LYS HE2 H 2.96 0.02 1 1212 124 106 LYS HE3 H 2.96 0.02 1 1213 124 106 LYS C C 175.0 0.20 1 1214 124 106 LYS CA C 56.5 0.20 1 1215 124 106 LYS CB C 33.2 0.20 1 1216 124 106 LYS CG C 26.3 0.20 1 1217 124 106 LYS CD C 29.8 0.20 1 1218 124 106 LYS CE C 42.6 0.20 1 1219 124 106 LYS N N 125.5 0.05 1 1220 125 107 ALA H H 8.92 0.02 1 1221 125 107 ALA HA H 4.18 0.02 1 1222 125 107 ALA HB H 1.33 0.02 1 1223 125 107 ALA CA C 52.9 0.20 1 1224 125 107 ALA CB C 18.0 0.20 1 1225 125 107 ALA N N 125.6 0.05 1 1226 126 108 PRO HA H 4.52 0.02 1 1227 126 108 PRO HB2 H 2.30 0.02 2 1228 126 108 PRO HB3 H 2.15 0.02 2 1229 126 108 PRO HG2 H 2.28 0.02 2 1230 126 108 PRO HG3 H 1.75 0.02 2 1231 126 108 PRO HD2 H 3.94 0.02 2 1232 126 108 PRO HD3 H 3.62 0.02 2 1233 126 108 PRO C C 176.3 0.20 1 1234 126 108 PRO CA C 64.5 0.20 1 1235 126 108 PRO CB C 34.5 0.20 1 1236 126 108 PRO CG C 28.2 0.20 1 1237 126 108 PRO CD C 50.6 0.20 1 1238 127 109 GLY H H 8.65 0.02 1 1239 127 109 GLY HA2 H 4.20 0.02 2 1240 127 109 GLY HA3 H 3.60 0.02 2 1241 127 109 GLY C C 172.7 0.20 1 1242 127 109 GLY CA C 46.5 0.20 1 1243 127 109 GLY N N 116.7 0.05 1 1244 128 110 VAL H H 8.07 0.02 1 1245 128 110 VAL HA H 4.85 0.02 1 1246 128 110 VAL HB H 1.96 0.02 1 1247 128 110 VAL HG1 H 0.84 0.02 1 1248 128 110 VAL HG2 H 0.84 0.02 1 1249 128 110 VAL C C 174.3 0.20 1 1250 128 110 VAL CA C 60.2 0.20 1 1251 128 110 VAL CB C 36.0 0.20 1 1252 128 110 VAL CG1 C 20.4 0.20 1 1253 128 110 VAL CG2 C 20.4 0.20 1 1254 128 110 VAL N N 119.4 0.05 1 1255 129 111 ALA H H 8.73 0.02 1 1256 129 111 ALA HA H 4.60 0.02 1 1257 129 111 ALA HB H 1.00 0.02 1 1258 129 111 ALA C C 175.3 0.20 1 1259 129 111 ALA CA C 51.5 0.20 1 1260 129 111 ALA CB C 21.6 0.20 1 1261 129 111 ALA N N 127.0 0.05 1 1262 130 112 ASN H H 8.45 0.02 1 1263 130 112 ASN HA H 5.65 0.02 1 1264 130 112 ASN HB2 H 2.57 0.02 1 1265 130 112 ASN HB3 H 2.57 0.02 1 1266 130 112 ASN HD21 H 7.42 0.02 2 1267 130 112 ASN HD22 H 6.67 0.02 2 1268 130 112 ASN C C 174.1 0.20 1 1269 130 112 ASN CA C 52.5 0.20 1 1270 130 112 ASN CB C 43.2 0.20 1 1271 130 112 ASN N N 119.5 0.05 1 1272 130 112 ASN ND2 N 112.9 0.05 1 1273 131 113 LYS H H 8.58 0.02 1 1274 131 113 LYS HA H 4.67 0.02 1 1275 131 113 LYS HB2 H 1.82 0.02 1 1276 131 113 LYS HB3 H 1.82 0.02 1 1277 131 113 LYS HG2 H 1.43 0.02 2 1278 131 113 LYS HG3 H 1.35 0.02 2 1279 131 113 LYS HD2 H 1.84 0.02 2 1280 131 113 LYS HD3 H 1.75 0.02 2 1281 131 113 LYS HE2 H 3.05 0.02 2 1282 131 113 LYS HE3 H 2.88 0.02 2 1283 131 113 LYS C C 174.2 0.20 1 1284 131 113 LYS CA C 55.6 0.20 1 1285 131 113 LYS CB C 36.4 0.20 1 1286 131 113 LYS CG C 25.2 0.20 1 1287 131 113 LYS CD C 29.3 0.20 1 1288 131 113 LYS CE C 42.7 0.20 1 1289 131 113 LYS N N 121.5 0.05 1 1290 132 114 LYS H H 8.72 0.02 1 1291 132 114 LYS HA H 5.23 0.02 1 1292 132 114 LYS HB2 H 1.65 0.02 1 1293 132 114 LYS HB3 H 1.65 0.02 1 1294 132 114 LYS HG2 H 1.38 0.02 2 1295 132 114 LYS HG3 H 1.10 0.02 2 1296 132 114 LYS HD2 H 1.58 0.02 1 1297 132 114 LYS HD3 H 1.58 0.02 1 1298 132 114 LYS HE2 H 2.81 0.02 2 1299 132 114 LYS HE3 H 2.79 0.02 2 1300 132 114 LYS C C 175.0 0.20 1 1301 132 114 LYS CA C 55.6 0.20 1 1302 132 114 LYS CB C 36.4 0.20 1 1303 132 114 LYS CG C 26.2 0.20 1 1304 132 114 LYS CD C 29.6 0.20 1 1305 132 114 LYS CE C 41.8 0.20 1 1306 132 114 LYS N N 123.3 0.05 1 1307 133 115 ILE H H 9.47 0.02 1 1308 133 115 ILE HA H 4.80 0.02 1 1309 133 115 ILE HB H 1.90 0.02 1 1310 133 115 ILE HG12 H 1.66 0.02 2 1311 133 115 ILE HG13 H 1.25 0.02 2 1312 133 115 ILE HG2 H 1.10 0.02 1 1313 133 115 ILE HD1 H 0.89 0.02 1 1314 133 115 ILE C C 174.7 0.20 1 1315 133 115 ILE CA C 59.8 0.20 1 1316 133 115 ILE CB C 43.5 0.20 1 1317 133 115 ILE CG1 C 29.0 0.20 1 1318 133 115 ILE CG2 C 22.0 0.20 1 1319 133 115 ILE CD1 C 15.2 0.20 1 1320 133 115 ILE N N 122.5 0.05 1 1321 134 116 HIS H H 9.40 0.02 1 1322 134 116 HIS HA H 5.23 0.02 1 1323 134 116 HIS HB2 H 3.44 0.02 2 1324 134 116 HIS HB3 H 3.25 0.02 2 1325 134 116 HIS HD2 H 7.15 0.02 1 1326 134 116 HIS HE1 H 8.56 0.02 1 1327 134 116 HIS C C 171.8 0.20 1 1328 134 116 HIS CA C 54.5 0.20 1 1329 134 116 HIS CB C 29.2 0.20 1 1330 134 116 HIS CD2 C 119.6 0.20 1 1331 134 116 HIS CE1 C 136.5 0.20 1 1332 134 116 HIS N N 127.1 0.05 1 1333 135 117 LEU H H 8.89 0.02 1 1334 135 117 LEU HA H 5.18 0.02 1 1335 135 117 LEU HB2 H 2.18 0.02 1 1336 135 117 LEU HB3 H 2.18 0.02 1 1337 135 117 LEU HG H 1.18 0.02 1 1338 135 117 LEU HD1 H 0.55 0.02 2 1339 135 117 LEU HD2 H 0.50 0.02 2 1340 135 117 LEU C C 174.1 0.20 1 1341 135 117 LEU CA C 54.2 0.20 1 1342 135 117 LEU CB C 45.2 0.20 1 1343 135 117 LEU CG C 28.9 0.20 1 1344 135 117 LEU CD1 C 25.0 0.20 2 1345 135 117 LEU CD2 C 23.5 0.20 2 1346 135 117 LEU N N 129.4 0.05 1 1347 136 118 VAL H H 8.98 0.02 1 1348 136 118 VAL HA H 4.10 0.02 1 1349 136 118 VAL HB H 1.88 0.02 1 1350 136 118 VAL HG1 H 0.97 0.02 2 1351 136 118 VAL HG2 H 0.90 0.02 2 1352 136 118 VAL C C 173.0 0.20 1 1353 136 118 VAL CA C 62.4 0.20 1 1354 136 118 VAL CB C 34.9 0.20 1 1355 136 118 VAL CG1 C 21.2 0.20 1 1356 136 118 VAL CG2 C 21.2 0.20 1 1357 136 118 VAL N N 127.7 0.05 1 1358 137 119 VAL H H 5.99 0.02 1 1359 137 119 VAL HA H 4.82 0.02 1 1360 137 119 VAL HB H 1.68 0.02 1 1361 137 119 VAL HG1 H 0.79 0.02 2 1362 137 119 VAL HG2 H 0.54 0.02 2 1363 137 119 VAL C C 174.3 0.20 1 1364 137 119 VAL CA C 60.2 0.20 1 1365 137 119 VAL CB C 34.0 0.20 1 1366 137 119 VAL CG1 C 21.3 0.20 2 1367 137 119 VAL CG2 C 20.7 0.20 2 1368 137 119 VAL N N 125.0 0.05 1 1369 138 120 LEU H H 8.66 0.02 1 1370 138 120 LEU HA H 4.56 0.02 1 1371 138 120 LEU HB2 H 1.50 0.02 1 1372 138 120 LEU HB3 H 1.50 0.02 1 1373 138 120 LEU HG H 1.42 0.02 1 1374 138 120 LEU HD1 H 0.76 0.02 1 1375 138 120 LEU HD2 H 0.76 0.02 1 1376 138 120 LEU C C 176.9 0.20 1 1377 138 120 LEU CA C 53.5 0.20 1 1378 138 120 LEU CB C 44.5 0.20 1 1379 138 120 LEU CG C 26.8 0.20 1 1380 138 120 LEU CD1 C 25.2 0.20 2 1381 138 120 LEU CD2 C 22.8 0.20 2 1382 138 120 LEU N N 126.2 0.05 1 1383 139 121 VAL H H 8.47 0.02 1 1384 139 121 VAL HA H 4.08 0.02 1 1385 139 121 VAL HB H 2.05 0.02 1 1386 139 121 VAL HG1 H 0.98 0.02 2 1387 139 121 VAL HG2 H 0.90 0.02 2 1388 139 121 VAL C C 175.6 0.20 1 1389 139 121 VAL CA C 62.5 0.20 1 1390 139 121 VAL CB C 32.5 0.20 1 1391 139 121 VAL CG1 C 21.3 0.20 1 1392 139 121 VAL CG2 C 21.3 0.20 1 1393 139 121 VAL N N 119.9 0.05 1 1394 140 122 LYS H H 8.23 0.02 1 1395 140 122 LYS HA H 4.62 0.02 1 1396 140 122 LYS HB2 H 1.82 0.02 2 1397 140 122 LYS HB3 H 1.70 0.02 2 1398 140 122 LYS HG2 H 1.55 0.02 2 1399 140 122 LYS HG3 H 1.40 0.02 2 1400 140 122 LYS HD2 H 1.67 0.02 1 1401 140 122 LYS HD3 H 1.67 0.02 1 1402 140 122 LYS HE2 H 3.00 0.02 1 1403 140 122 LYS HE3 H 3.00 0.02 1 1404 140 122 LYS CA C 54.0 0.20 1 1405 140 122 LYS CB C 33.0 0.20 1 1406 140 122 LYS CG C 24.5 0.20 1 1407 140 122 LYS CD C 29.9 0.20 1 1408 140 122 LYS CE C 41.9 0.20 1 1409 140 122 LYS N N 124.2 0.05 1 1410 141 123 PRO HA H 4.39 0.02 1 1411 141 123 PRO HB2 H 2.29 0.02 2 1412 141 123 PRO HB3 H 1.93 0.02 2 1413 141 123 PRO HG2 H 2.01 0.02 1 1414 141 123 PRO HG3 H 2.01 0.02 1 1415 141 123 PRO HD2 H 3.85 0.02 1 1416 141 123 PRO HD3 H 3.85 0.02 1 1417 141 123 PRO C C 176.8 0.20 1 1418 141 123 PRO CA C 63.2 0.20 1 1419 141 123 PRO CB C 32.3 0.20 1 1420 141 123 PRO CG C 27.2 0.20 1 1421 141 123 PRO CD C 50.5 0.20 1 1422 142 124 SER H H 8.44 0.02 1 1423 142 124 SER HA H 4.37 0.02 1 1424 142 124 SER HB2 H 3.86 0.02 1 1425 142 124 SER HB3 H 3.86 0.02 1 1426 142 124 SER C C 175.2 0.20 1 1427 142 124 SER CA C 58.8 0.20 1 1428 142 124 SER CB C 63.9 0.20 1 1429 142 124 SER N N 116.2 0.05 1 1430 143 125 GLY H H 8.44 0.02 1 1431 143 125 GLY HA2 H 4.00 0.02 2 1432 143 125 GLY HA3 H 3.95 0.02 2 1433 143 125 GLY C C 173.0 0.20 1 1434 143 125 GLY CA C 45.3 0.20 1 1435 143 125 GLY N N 111.7 0.05 1 1436 144 126 ALA H H 7.89 0.02 1 1437 144 126 ALA HA H 4.20 0.02 1 1438 144 126 ALA HB H 1.30 0.02 1 1439 144 126 ALA CA C 53.0 0.20 1 1440 144 126 ALA CB C 20.0 0.20 1 1441 144 126 ALA N N 128.3 0.05 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 151 152 '429,430' stop_ save_