data_6111 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the antifreeze protein cfAFP-501 from spruce budworm at different temperatures ; _BMRB_accession_number 6111 _BMRB_flat_file_name bmr6111.str _Entry_type original _Submission_date 2004-02-23 _Accession_date 2004-02-23 _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 Li Congmin . . 2 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 793 "13C chemical shifts" 664 "15N chemical shifts" 239 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-01 original BMRB . stop_ _Original_release_date 2004-02-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of the antifreeze protein cfAFP-501 from spruce budworm at different temperatures ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15452439 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Congmin . . 2 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 101 _Page_last 102 _Year 2004 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; NMR structure note: Solution Structure of an Antifreeze Protein CfAFP-501 from Choristoneura fumiferana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Congmin . . 2 Guo Xianrong . . 3 Jia Zongchao . . 4 Xia Bin . . 5 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 32 _Journal_issue 3 _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 251 _Page_last 256 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_cfAFP-501 _Saveframe_category molecular_system _Mol_system_name 'Choristoneura fumiferana antifreeze protein isoform 501' _Abbreviation_common cfAFP-501 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cfAFP-501, monomer 1' $cfAFP-501_monomer 'cfAFP-501, monomer 2' $cfAFP-501_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'cfAFP-501, monomer 1' 1 'cfAFP-501, monomer 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cfAFP-501_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 501' _Abbreviation_common cfAFP-501 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; DGTCVNTNSQITANSQCVKS TATNCYIDNSQLVDTSICTR SQYSDANVKKSVTTDCNIDK SQVYLTTCTGSQYNGIYIRS STTTGTSISGPGCSISTCTI TRGVATPAAACKISGCSLSA M ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 GLY 3 3 THR 4 4 CYS 5 5 VAL 6 6 ASN 7 7 THR 8 8 ASN 9 9 SER 10 10 GLN 11 11 ILE 12 12 THR 13 13 ALA 14 14 ASN 15 15 SER 16 16 GLN 17 17 CYS 18 18 VAL 19 19 LYS 20 20 SER 21 21 THR 22 22 ALA 23 23 THR 24 24 ASN 25 25 CYS 26 26 TYR 27 27 ILE 28 28 ASP 29 29 ASN 30 30 SER 31 31 GLN 32 32 LEU 33 33 VAL 34 34 ASP 35 35 THR 36 36 SER 37 37 ILE 38 38 CYS 39 39 THR 40 40 ARG 41 41 SER 42 42 GLN 43 43 TYR 44 44 SER 45 45 ASP 46 46 ALA 47 47 ASN 48 48 VAL 49 49 LYS 50 50 LYS 51 51 SER 52 52 VAL 53 53 THR 54 54 THR 55 55 ASP 56 56 CYS 57 57 ASN 58 58 ILE 59 59 ASP 60 60 LYS 61 61 SER 62 62 GLN 63 63 VAL 64 64 TYR 65 65 LEU 66 66 THR 67 67 THR 68 68 CYS 69 69 THR 70 70 GLY 71 71 SER 72 72 GLN 73 73 TYR 74 74 ASN 75 75 GLY 76 76 ILE 77 77 TYR 78 78 ILE 79 79 ARG 80 80 SER 81 81 SER 82 82 THR 83 83 THR 84 84 THR 85 85 GLY 86 86 THR 87 87 SER 88 88 ILE 89 89 SER 90 90 GLY 91 91 PRO 92 92 GLY 93 93 CYS 94 94 SER 95 95 ILE 96 96 SER 97 97 THR 98 98 CYS 99 99 THR 100 100 ILE 101 101 THR 102 102 ARG 103 103 GLY 104 104 VAL 105 105 ALA 106 106 THR 107 107 PRO 108 108 ALA 109 109 ALA 110 110 ALA 111 111 CYS 112 112 LYS 113 113 ILE 114 114 SER 115 115 GLY 116 116 CYS 117 117 SER 118 118 LEU 119 119 SER 120 120 ALA 121 121 MET 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 1M8N 'Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 501' 100.00 121 100.00 100.00 5.93e-60 PDB 1Z2F 'Solution Structure Of Cfafp-501' 100.00 121 100.00 100.00 5.93e-60 GenBank AAF86611 'antifreeze protein isoform 501 precursor [Choristoneura fumiferana]' 100.00 138 100.00 100.00 1.56e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cfAFP-501_monomer 'Spruce budworm' 7141 Eukaryota Metazoa Choristoneura fumiferana 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 $cfAFP-501_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cfAFP-501_monomer . mM 0.25 0.5 '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_experiment_1_1 _Saveframe_category NMR_applied_experiment _Experiment_name experiment_1 _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 0.2 pH temperature 290 0.1 K stop_ save_ save_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 0.2 n/a temperature 270 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 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_shifts_at_290K _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label experiment_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'cfAFP-501, monomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP HA H 4.84 0.05 1 2 1 1 ASP HB2 H 2.90 0.05 1 3 1 1 ASP HB3 H 2.80 0.05 1 4 1 1 ASP C C 174.38 0.50 1 5 1 1 ASP CA C 52.07 0.50 1 6 1 1 ASP CB C 39.50 0.50 1 7 2 2 GLY H H 8.76 0.02 1 8 2 2 GLY HA2 H 4.15 0.05 1 9 2 2 GLY HA3 H 4.15 0.05 1 10 2 2 GLY C C 172.70 0.50 1 11 2 2 GLY CA C 43.71 0.50 1 12 2 2 GLY N N 110.36 0.30 1 13 3 3 THR H H 8.82 0.02 1 14 3 3 THR HA H 4.86 0.05 1 15 3 3 THR CA C 59.37 0.50 1 16 3 3 THR CB C 67.72 0.50 1 17 3 3 THR N N 111.32 0.30 1 18 6 6 ASN H H 8.70 0.02 1 19 6 6 ASN C C 173.89 0.50 1 20 6 6 ASN CA C 49.68 0.50 1 21 6 6 ASN CB C 37.24 0.50 1 22 6 6 ASN N N 128.29 0.30 1 23 7 7 THR H H 8.96 0.02 1 24 7 7 THR HA H 4.50 0.05 1 25 7 7 THR HG2 H 1.29 0.05 1 26 7 7 THR C C 171.38 0.50 1 27 7 7 THR CA C 59.50 0.50 1 28 7 7 THR CB C 66.81 0.50 1 29 7 7 THR CG2 C 18.76 0.50 1 30 7 7 THR N N 123.50 0.30 1 31 8 8 ASN H H 9.39 0.02 1 32 8 8 ASN HA H 4.42 0.05 1 33 8 8 ASN HB2 H 3.27 0.05 1 34 8 8 ASN HB3 H 2.71 0.05 1 35 8 8 ASN HD21 H 7.74 0.02 1 36 8 8 ASN HD22 H 6.97 0.02 1 37 8 8 ASN C C 171.84 0.50 1 38 8 8 ASN CA C 52.10 0.50 1 39 8 8 ASN CB C 35.52 0.50 1 40 8 8 ASN N N 123.82 0.30 1 41 8 8 ASN ND2 N 113.27 0.30 1 42 9 9 SER H H 8.85 0.02 1 43 9 9 SER HA H 5.27 0.05 1 44 9 9 SER HB2 H 3.62 0.05 1 45 9 9 SER HB3 H 3.37 0.05 1 46 9 9 SER C C 170.88 0.50 1 47 9 9 SER CA C 55.90 0.50 1 48 9 9 SER CB C 61.84 0.50 1 49 9 9 SER N N 110.45 0.30 1 50 10 10 GLN H H 8.32 0.02 1 51 10 10 GLN HA H 4.55 0.05 1 52 10 10 GLN HB2 H 1.95 0.05 1 53 10 10 GLN HB3 H 1.95 0.05 1 54 10 10 GLN HG2 H 2.25 0.05 1 55 10 10 GLN HG3 H 2.25 0.05 1 56 10 10 GLN HE21 H 7.94 0.02 1 57 10 10 GLN HE22 H 6.83 0.02 1 58 10 10 GLN C C 170.66 0.50 1 59 10 10 GLN CA C 52.46 0.50 1 60 10 10 GLN CB C 27.14 0.50 1 61 10 10 GLN CG C 31.05 0.50 1 62 10 10 GLN N N 124.88 0.30 1 63 10 10 GLN NE2 N 111.54 0.30 1 64 11 11 ILE H H 8.64 0.02 1 65 11 11 ILE HA H 4.55 0.05 1 66 11 11 ILE HB H 1.83 0.05 1 67 11 11 ILE HG12 H 1.33 0.05 1 68 11 11 ILE HG13 H 1.33 0.05 1 69 11 11 ILE HG2 H 0.83 0.05 1 70 11 11 ILE HD1 H 0.80 0.05 1 71 11 11 ILE C C 174.28 0.50 1 72 11 11 ILE CA C 57.98 0.50 1 73 11 11 ILE CB C 36.23 0.50 1 74 11 11 ILE CG1 C 24.39 0.50 1 75 11 11 ILE CG2 C 15.02 0.50 1 76 11 11 ILE CD1 C 11.28 0.50 1 77 11 11 ILE N N 126.68 0.30 1 78 12 12 THR H H 8.55 0.02 1 79 12 12 THR HA H 4.35 0.05 1 80 12 12 THR HB H 4.82 0.05 1 81 12 12 THR HG2 H 1.42 0.05 1 82 12 12 THR C C 173.64 0.50 1 83 12 12 THR CA C 60.75 0.50 1 84 12 12 THR CB C 68.45 0.50 1 85 12 12 THR CG2 C 18.80 0.50 1 86 12 12 THR N N 117.85 0.30 1 87 13 13 ALA H H 8.86 0.02 1 88 13 13 ALA HA H 4.25 0.05 1 89 13 13 ALA HB H 1.54 0.05 1 90 13 13 ALA C C 176.08 0.50 1 91 13 13 ALA CA C 52.53 0.50 1 92 13 13 ALA CB C 15.90 0.50 1 93 13 13 ALA N N 122.5 0.30 1 94 14 14 ASN H H 7.93 0.02 1 95 14 14 ASN HA H 4.73 0.05 1 96 14 14 ASN HB2 H 3.40 0.05 1 97 14 14 ASN HB3 H 2.86 0.05 1 98 14 14 ASN HD21 H 7.58 0.02 1 99 14 14 ASN HD22 H 7.39 0.02 1 100 14 14 ASN C C 173.25 0.50 1 101 14 14 ASN CA C 49.58 0.50 1 102 14 14 ASN CB C 34.52 0.50 1 103 14 14 ASN N N 111.58 0.30 1 104 14 14 ASN ND2 N 111.78 0.30 1 105 15 15 SER H H 7.80 0.02 1 106 15 15 SER HA H 5.18 0.05 1 107 15 15 SER HB2 H 4.18 0.05 1 108 15 15 SER HB3 H 3.18 0.05 1 109 15 15 SER C C 171.08 0.50 1 110 15 15 SER CA C 56.77 0.50 1 111 15 15 SER CB C 63.87 0.50 1 112 15 15 SER N N 116.46 0.30 1 113 16 16 GLN H H 8.55 0.02 1 114 16 16 GLN HA H 4.75 0.05 1 115 16 16 GLN HB2 H 1.96 0.05 1 116 16 16 GLN HB3 H 1.69 0.05 1 117 16 16 GLN HG2 H 2.34 0.05 1 118 16 16 GLN HG3 H 2.28 0.05 1 119 16 16 GLN HE21 H 7.44 0.02 1 120 16 16 GLN HE22 H 6.83 0.02 1 121 16 16 GLN C C 171.68 0.50 1 122 16 16 GLN CA C 52.29 0.50 1 123 16 16 GLN CB C 30.97 0.50 1 124 16 16 GLN CG C 31.20 0.50 1 125 16 16 GLN N N 118.22 0.30 1 126 16 16 GLN NE2 N 111.17 0.30 1 127 17 17 CYS H H 8.87 0.02 1 128 17 17 CYS HA H 5.60 0.05 1 129 17 17 CYS HB2 H 4.16 0.05 1 130 17 17 CYS HB3 H 4.16 0.05 1 131 17 17 CYS CA C 51.71 0.50 1 132 17 17 CYS CB C 43.68 0.50 1 133 17 17 CYS N N 123.74 0.30 1 134 18 18 VAL HA H 4.25 0.05 1 135 18 18 VAL HB H 2.03 0.05 1 136 18 18 VAL C C 172.99 0.50 1 137 18 18 VAL CA C 59.30 0.50 1 138 18 18 VAL CB C 33.67 0.50 1 139 19 19 LYS H H 9.40 0.02 1 140 19 19 LYS HA H 4.12 0.05 1 141 19 19 LYS HB2 H 2.37 0.05 1 142 19 19 LYS HB3 H 1.93 0.05 1 143 19 19 LYS HG2 H 1.68 0.05 1 144 19 19 LYS HG3 H 1.67 0.05 1 145 19 19 LYS HD2 H 1.83 0.05 1 146 19 19 LYS HD3 H 1.83 0.05 1 147 19 19 LYS HE2 H 3.02 0.05 1 148 19 19 LYS HE3 H 3.07 0.05 1 149 19 19 LYS C C 173.15 0.50 1 150 19 19 LYS CA C 55.33 0.50 1 151 19 19 LYS CB C 28.35 0.50 1 152 19 19 LYS CG C 23.50 0.50 1 153 19 19 LYS CD C 23.75 0.50 1 154 19 19 LYS CE C 39.93 0.50 1 155 19 19 LYS N N 129.64 0.30 1 156 20 20 SER H H 7.24 0.02 1 157 20 20 SER HA H 5.43 0.05 1 158 20 20 SER HB2 H 3.50 0.05 1 159 20 20 SER HB3 H 3.25 0.05 1 160 20 20 SER C C 170.87 0.50 1 161 20 20 SER CA C 56.29 0.50 1 162 20 20 SER CB C 68.61 0.50 1 163 20 20 SER N N 109.63 0.30 1 164 21 21 THR H H 8.10 0.02 1 165 21 21 THR HA H 5.00 0.05 1 166 21 21 THR HB H 4.06 0.05 1 167 21 21 THR HG2 H 1.28 0.05 1 168 21 21 THR C C 169.79 0.50 1 169 21 21 THR CA C 58.86 0.50 1 170 21 21 THR CB C 69.34 0.50 1 171 21 21 THR CG2 C 18.70 0.50 1 172 21 21 THR N N 116.59 0.30 1 173 22 22 ALA H H 9.06 0.02 1 174 22 22 ALA HA H 5.29 0.05 1 175 22 22 ALA HB H 1.10 0.05 1 176 22 22 ALA C C 173.25 0.50 1 177 22 22 ALA CA C 48.48 0.50 1 178 22 22 ALA CB C 18.46 0.50 1 179 22 22 ALA N N 128.19 0.30 1 180 23 23 THR H H 9.26 0.02 1 181 23 23 THR HA H 5.26 0.05 1 182 23 23 THR HB H 4.18 0.05 1 183 23 23 THR HG2 H 1.32 0.05 1 184 23 23 THR C C 170.80 0.50 1 185 23 23 THR CA C 58.46 0.50 1 186 23 23 THR CB C 67.60 0.50 1 187 23 23 THR CG2 C 19.03 0.50 1 188 23 23 THR N N 125.93 0.30 1 189 24 24 ASN H H 8.86 0.02 1 190 24 24 ASN HA H 4.54 0.05 1 191 24 24 ASN HB2 H 3.25 0.05 1 192 24 24 ASN HB3 H 2.74 0.05 1 193 24 24 ASN C C 171.51 0.50 1 194 24 24 ASN CA C 53.03 0.50 1 195 24 24 ASN CB C 34.95 0.50 1 196 24 24 ASN N N 121.82 0.30 1 197 25 25 CYS H H 8.42 0.02 1 198 25 25 CYS HA H 5.51 0.05 1 199 25 25 CYS HB2 H 3.17 0.05 1 200 25 25 CYS HB3 H 2.38 0.05 1 201 25 25 CYS C C 170.07 0.50 1 202 25 25 CYS CA C 53.93 0.50 1 203 25 25 CYS CB C 45.25 0.50 1 204 25 25 CYS N N 112.19 0.30 1 205 26 26 TYR H H 8.35 0.02 1 206 26 26 TYR HA H 5.10 0.05 1 207 26 26 TYR HB2 H 2.95 0.05 1 208 26 26 TYR HB3 H 2.95 0.05 1 209 26 26 TYR C C 171.33 0.50 1 210 26 26 TYR CA C 55.30 0.50 1 211 26 26 TYR CB C 38.11 0.50 1 212 26 26 TYR N N 123.97 0.30 1 213 27 27 ILE H H 8.71 0.02 1 214 27 27 ILE HA H 4.26 0.05 1 215 27 27 ILE HB H 1.92 0.05 1 216 27 27 ILE HG12 H 1.14 0.05 1 217 27 27 ILE HG13 H 1.14 0.05 1 218 27 27 ILE HG2 H 0.94 0.05 1 219 27 27 ILE HD1 H 0.67 0.05 1 220 27 27 ILE C C 169.90 0.50 1 221 27 27 ILE CA C 59.62 0.50 1 222 27 27 ILE CB C 37.29 0.50 1 223 27 27 ILE CG1 C 23.81 0.50 1 224 27 27 ILE CG2 C 15.02 0.50 1 225 27 27 ILE CD1 C 11.40 0.50 1 226 27 27 ILE N N 126.75 0.30 1 227 28 28 ASP H H 8.17 0.02 1 228 28 28 ASP HA H 5.38 0.05 1 229 28 28 ASP HB2 H 2.37 0.05 1 230 28 28 ASP HB3 H 3.03 0.05 1 231 28 28 ASP C C 174.36 0.50 1 232 28 28 ASP CA C 50.39 0.50 1 233 28 28 ASP CB C 41.52 0.50 1 234 28 28 ASP N N 125.76 0.30 1 235 29 29 ASN H H 7.84 0.02 1 236 29 29 ASN HA H 4.20 0.05 1 237 29 29 ASN HB2 H 3.34 0.05 1 238 29 29 ASN HB3 H 2.50 0.05 1 239 29 29 ASN C C 172.29 0.50 1 240 29 29 ASN CA C 51.52 0.50 1 241 29 29 ASN CB C 34.83 0.50 1 242 29 29 ASN N N 131.54 0.30 1 243 30 30 SER H H 8.36 0.02 1 244 30 30 SER HA H 5.63 0.05 1 245 30 30 SER HB2 H 3.51 0.05 1 246 30 30 SER HB3 H 3.97 0.05 1 247 30 30 SER C C 169.88 0.50 1 248 30 30 SER CA C 55.83 0.50 1 249 30 30 SER CB C 67.28 0.50 1 250 30 30 SER N N 111.01 0.30 1 251 31 31 GLN H H 8.70 0.02 1 252 31 31 GLN HA H 5.19 0.05 1 253 31 31 GLN HB2 H 1.89 0.05 1 254 31 31 GLN HB3 H 1.89 0.05 1 255 31 31 GLN HG2 H 2.30 0.05 1 256 31 31 GLN HG3 H 2.30 0.05 1 257 31 31 GLN HE21 H 7.54 0.02 1 258 31 31 GLN HE22 H 6.61 0.05 1 259 31 31 GLN C C 170.35 0.50 1 260 31 31 GLN CA C 52.67 0.50 1 261 31 31 GLN CB C 27.68 0.50 1 262 31 31 GLN CG C 31.87 0.50 1 263 31 31 GLN N N 117.96 0.30 1 264 31 31 GLN NE2 N 111.17 0.30 1 265 32 32 LEU H H 8.71 0.02 1 266 32 32 LEU HA H 5.26 0.05 1 267 32 32 LEU HB2 H 2.03 0.05 1 268 32 32 LEU HB3 H 2.03 0.05 1 269 32 32 LEU C C 172.31 0.50 1 270 32 32 LEU CA C 51.3 0.50 1 271 32 32 LEU CB C 41.74 0.50 1 272 32 32 LEU CG C 26.00 0.50 1 273 32 32 LEU N N 127.89 0.30 1 274 33 33 VAL H H 8.89 0.02 1 275 33 33 VAL HA H 5.67 0.05 1 276 33 33 VAL HB H 2.34 0.05 1 277 33 33 VAL HG1 H 0.88 0.05 1 278 33 33 VAL HG2 H 0.86 0.05 1 279 33 33 VAL C C 175.05 0.50 1 280 33 33 VAL CA C 56.51 0.50 1 281 33 33 VAL CB C 34.90 0.50 1 282 33 33 VAL CG1 C 19.64 0.50 1 283 33 33 VAL CG2 C 15.79 0.50 1 284 33 33 VAL N N 114.95 0.30 1 285 34 34 ASP H H 7.84 0.02 1 286 34 34 ASP HA H 4.29 0.05 1 287 34 34 ASP HB2 H 2.60 0.05 1 288 34 34 ASP HB3 H 3.26 0.05 1 289 34 34 ASP C C 171.66 0.50 1 290 34 34 ASP CA C 56.32 0.50 1 291 34 34 ASP CB C 37.32 0.50 1 292 34 34 ASP N N 119.19 0.30 1 293 35 35 THR H H 7.93 0.02 1 294 35 35 THR HA H 4.38 0.05 1 295 35 35 THR HB H 4.56 0.05 1 296 35 35 THR HG2 H 1.37 0.05 1 297 35 35 THR C C 172.41 0.50 1 298 35 35 THR CA C 60.06 0.50 1 299 35 35 THR CB C 65.78 0.50 1 300 35 35 THR N N 114.57 0.30 1 301 36 36 SER H H 7.82 0.02 1 302 36 36 SER HA H 5.40 0.05 1 303 36 36 SER HB2 H 3.89 0.05 1 304 36 36 SER HB3 H 3.89 0.05 1 305 36 36 SER C C 172.58 0.50 1 306 36 36 SER CA C 56.41 0.50 1 307 36 36 SER CB C 65.02 0.50 1 308 36 36 SER N N 114.34 0.30 1 309 37 37 ILE H H 8.90 0.02 1 310 37 37 ILE HA H 4.71 0.05 1 311 37 37 ILE HB H 1.84 0.05 1 312 37 37 ILE HG12 H 1.58 0.05 1 313 37 37 ILE HG13 H 1.58 0.05 1 314 37 37 ILE HG2 H 0.80 0.05 1 315 37 37 ILE HD1 H 0.89 0.05 1 316 37 37 ILE C C 171.37 0.50 1 317 37 37 ILE CA C 59.06 0.50 1 318 37 37 ILE CB C 39.09 0.50 1 319 37 37 ILE CG1 C 24.60 0.50 1 320 37 37 ILE CG2 C 15.15 0.50 1 321 37 37 ILE CD1 C 11.20 0.50 1 322 37 37 ILE N N 122.37 0.30 1 323 38 38 CYS H H 9.40 0.02 1 324 38 38 CYS HA H 4.92 0.05 1 325 38 38 CYS HB2 H 2.95 0.05 1 326 38 38 CYS HB3 H 2.95 0.05 1 327 38 38 CYS C C 171.33 0.50 1 328 38 38 CYS CA C 54.33 0.50 1 329 38 38 CYS CB C 41.33 0.50 1 330 38 38 CYS N N 127.56 0.30 1 331 39 39 THR H H 9.19 0.02 1 332 39 39 THR HA H 5.27 0.05 1 333 39 39 THR HB H 4.10 0.05 1 334 39 39 THR C C 172.62 0.50 1 335 39 39 THR CA C 59.98 0.50 1 336 39 39 THR CB C 68.07 0.50 1 337 39 39 THR N N 126.99 0.30 1 338 40 40 ARG H H 9.42 0.02 1 339 40 40 ARG HA H 4.27 0.05 1 340 40 40 ARG HB2 H 2.25 0.05 1 341 40 40 ARG HB3 H 2.25 0.05 1 342 40 40 ARG HG2 H 2.70 0.05 1 343 40 40 ARG HG3 H 2.70 0.05 1 344 40 40 ARG C C 172.21 0.50 1 345 40 40 ARG CA C 54.8 0.50 1 346 40 40 ARG CB C 26.05 0.50 1 347 40 40 ARG CG C 28.55 0.50 1 348 40 40 ARG CD C 40.89 0.50 1 349 40 40 ARG N N 127.05 0.30 1 350 41 41 SER H H 7.41 0.02 1 351 41 41 SER HA H 5.74 0.05 1 352 41 41 SER HB2 H 4.00 0.05 1 353 41 41 SER HB3 H 4.00 0.05 1 354 41 41 SER C C 170.29 0.50 1 355 41 41 SER CA C 54.47 0.50 1 356 41 41 SER CB C 65.70 0.50 1 357 41 41 SER N N 108.79 0.30 1 358 42 42 GLN H H 8.32 0.02 1 359 42 42 GLN HA H 5.51 0.05 1 360 42 42 GLN HB2 H 2.18 0.05 1 361 42 42 GLN HB3 H 2.34 0.05 1 362 42 42 GLN HG2 H 2.42 0.05 1 363 42 42 GLN HG3 H 2.42 0.05 1 364 42 42 GLN HE21 H 7.56 0.02 1 365 42 42 GLN HE22 H 6.52 0.02 1 366 42 42 GLN C C 172.04 0.50 1 367 42 42 GLN CA C 52.22 0.50 1 368 42 42 GLN CB C 27.87 0.50 1 369 42 42 GLN CG C 31.85 0.50 1 370 42 42 GLN N N 120.59 0.30 1 371 42 42 GLN NE2 N 110.58 0.30 1 372 43 43 TYR H H 9.34 0.02 1 373 43 43 TYR HA H 6.09 0.05 1 374 43 43 TYR HB2 H 3.41 0.05 1 375 43 43 TYR HB3 H 3.41 0.05 1 376 43 43 TYR C C 173.97 0.50 1 377 43 43 TYR CA C 49.58 0.50 1 378 43 43 TYR CB C 39.18 0.50 1 379 43 43 TYR N N 123.66 0.30 1 380 44 44 SER H H 9.01 0.02 1 381 44 44 SER HA H 5.49 0.05 1 382 44 44 SER HB2 H 3.94 0.05 1 383 44 44 SER HB3 H 3.94 0.05 1 384 44 44 SER C C 171.31 0.50 1 385 44 44 SER CA C 54.06 0.50 1 386 44 44 SER CB C 62.12 0.50 1 387 44 44 SER N N 117.38 0.30 1 388 45 45 ASP H H 7.81 0.02 1 389 45 45 ASP HA H 4.79 0.05 1 390 45 45 ASP HB2 H 3.05 0.05 1 391 45 45 ASP HB3 H 2.83 0.05 1 392 45 45 ASP C C 172.55 0.50 1 393 45 45 ASP CA C 52.59 0.50 1 394 45 45 ASP CB C 37.39 0.50 1 395 45 45 ASP N N 124.33 0.30 1 396 46 46 ALA H H 8.80 0.02 1 397 46 46 ALA HA H 5.45 0.05 1 398 46 46 ALA HB H 1.06 0.05 1 399 46 46 ALA C C 172.62 0.50 1 400 46 46 ALA CA C 48.11 0.50 1 401 46 46 ALA CB C 20.95 0.50 1 402 46 46 ALA N N 119.29 0.30 1 403 47 47 ASN H H 8.24 0.02 1 404 47 47 ASN HA H 5.19 0.05 1 405 47 47 ASN HB2 H 2.81 0.05 1 406 47 47 ASN HB3 H 2.71 0.05 1 407 47 47 ASN C C 170.14 0.50 1 408 47 47 ASN CA C 51.08 0.50 1 409 47 47 ASN CB C 40.47 0.50 1 410 47 47 ASN N N 119.91 0.30 1 411 48 48 VAL H H 9.21 0.02 1 412 48 48 VAL HA H 4.49 0.05 1 413 48 48 VAL HB H 2.09 0.05 1 414 48 48 VAL HG1 H 0.78 0.05 1 415 48 48 VAL HG2 H 0.00 0.05 1 416 48 48 VAL C C 170.18 0.50 1 417 48 48 VAL CA C 60.48 0.50 1 418 48 48 VAL CB C 30.7 0.50 1 419 48 48 VAL CG1 C 19.4 0.50 1 420 48 48 VAL CG2 C 16.65 0.50 1 421 48 48 VAL N N 128.08 0.30 1 422 49 49 LYS H H 8.62 0.02 1 423 49 49 LYS HA H 5.18 0.05 1 424 49 49 LYS HB2 H 2.07 0.05 1 425 49 49 LYS HB3 H 1.72 0.05 1 426 49 49 LYS HG2 H 1.45 0.05 1 427 49 49 LYS HG3 H 1.45 0.05 1 428 49 49 LYS HD2 H 1.66 0.05 1 429 49 49 LYS HD3 H 1.66 0.05 1 430 49 49 LYS HE2 H 2.96 0.05 1 431 49 49 LYS HE3 H 2.96 0.05 1 432 49 49 LYS C C 173.78 0.50 1 433 49 49 LYS CA C 52.32 0.50 1 434 49 49 LYS CB C 34.64 0.50 1 435 49 49 LYS CG C 23.39 0.50 1 436 49 49 LYS CD C 27.24 0.50 1 437 49 49 LYS CE C 39.49 0.50 1 438 49 49 LYS N N 125.74 0.30 1 439 50 50 LYS H H 8.37 0.02 1 440 50 50 LYS HA H 4.16 0.05 1 441 50 50 LYS HB2 H 2.26 0.05 1 442 50 50 LYS HB3 H 1.74 0.05 1 443 50 50 LYS HG2 H 1.44 0.05 1 444 50 50 LYS HG3 H 1.44 0.05 1 445 50 50 LYS HD2 H 1.72 0.05 1 446 50 50 LYS HD3 H 1.72 0.05 1 447 50 50 LYS HE2 H 3.04 0.05 1 448 50 50 LYS HE3 H 3.04 0.05 1 449 50 50 LYS C C 173.58 0.50 1 450 50 50 LYS CA C 55.71 0.50 1 451 50 50 LYS CB C 30.34 0.50 1 452 50 50 LYS CG C 23.79 0.50 1 453 50 50 LYS CD C 27.57 0.50 1 454 50 50 LYS CE C 40.00 0.50 1 455 50 50 LYS N N 133.81 0.30 1 456 51 51 SER H H 8.46 0.02 1 457 51 51 SER HA H 5.31 0.05 1 458 51 51 SER HB2 H 3.27 0.05 1 459 51 51 SER HB3 H 3.27 0.05 1 460 51 51 SER C C 170.64 0.50 1 461 51 51 SER CA C 56.69 0.50 1 462 51 51 SER CB C 66.52 0.50 1 463 51 51 SER N N 113.68 0.30 1 464 52 52 VAL H H 8.65 0.02 1 465 52 52 VAL HA H 5.10 0.05 1 466 52 52 VAL HB H 2.08 0.05 1 467 52 52 VAL HG1 H 1.00 0.05 1 468 52 52 VAL HG2 H 1.00 0.05 1 469 52 52 VAL C C 173.66 0.50 1 470 52 52 VAL CA C 58.56 0.50 1 471 52 52 VAL CB C 32.76 0.50 1 472 52 52 VAL CG1 C 18.65 0.50 1 473 52 52 VAL CG2 C 18.65 0.50 1 474 52 52 VAL N N 122.50 0.50 1 475 53 53 THR H H 9.23 0.02 1 476 53 53 THR HA H 5.76 0.05 1 477 53 53 THR HB H 4.34 0.05 1 478 53 53 THR HG2 H 1.09 0.05 1 479 53 53 THR C C 170.61 0.50 1 480 53 53 THR CA C 54.79 0.50 1 481 53 53 THR CB C 69.26 0.50 1 482 53 53 THR CG2 C 15.87 0.50 1 483 53 53 THR N N 114.66 0.30 1 484 54 54 THR H H 9.37 0.02 1 485 54 54 THR HA H 5.38 0.05 1 486 54 54 THR HB H 4.11 0.05 1 487 54 54 THR HG2 H 1.23 0.05 1 488 54 54 THR C C 170.82 0.50 1 489 54 54 THR CA C 58.62 0.50 1 490 54 54 THR CB C 68.01 0.50 1 491 54 54 THR CG2 C 19.31 0.50 1 492 54 54 THR N N 126.4 0.30 1 493 55 55 ASP H H 8.29 0.02 1 494 55 55 ASP HA H 4.94 0.05 1 495 55 55 ASP HB2 H 2.97 0.05 1 496 55 55 ASP HB3 H 2.97 0.05 1 497 55 55 ASP C C 172.68 0.50 1 498 55 55 ASP CA C 54.00 0.50 1 499 55 55 ASP CB C 36.71 0.50 1 500 55 55 ASP N N 121.35 0.30 1 501 56 56 CYS H H 7.90 0.02 1 502 56 56 CYS HA H 5.98 0.05 1 503 56 56 CYS HB2 H 3.31 0.05 1 504 56 56 CYS HB3 H 2.34 0.05 1 505 56 56 CYS C C 169.98 0.50 1 506 56 56 CYS CA C 53.08 0.50 1 507 56 56 CYS CB C 47.14 0.50 1 508 56 56 CYS N N 110.24 0.30 1 509 57 57 ASN H H 7.90 0.02 1 510 57 57 ASN HA H 5.63 0.05 1 511 57 57 ASN HB2 H 2.86 0.05 1 512 57 57 ASN HB3 H 2.70 0.05 1 513 57 57 ASN HD21 H 7.66 0.02 1 514 57 57 ASN HD22 H 6.88 0.02 1 515 57 57 ASN C C 171.78 0.50 1 516 57 57 ASN CA C 50.32 0.50 1 517 57 57 ASN CB C 38.43 0.50 1 518 57 57 ASN N N 120.93 0.30 1 519 57 57 ASN ND2 N 112.46 0.30 1 520 58 58 ILE H H 9.48 0.02 1 521 58 58 ILE HA H 4.58 0.05 1 522 58 58 ILE HB H 1.83 0.05 1 523 58 58 ILE HG12 H 1.56 0.05 1 524 58 58 ILE HG13 H 1.56 0.05 1 525 58 58 ILE HG2 H 0.77 0.05 1 526 58 58 ILE HD1 H 0.81 0.05 1 527 58 58 ILE C C 170.06 0.50 1 528 58 58 ILE CA C 59.43 0.50 1 529 58 58 ILE CB C 38.43 0.50 1 530 58 58 ILE CG1 C 24.60 0.50 1 531 58 58 ILE CG2 C 16.40 0.50 1 532 58 58 ILE CD1 C 12.10 0.50 1 533 58 58 ILE N N 124.86 0.30 1 534 59 59 ASP H H 8.79 0.02 1 535 59 59 ASP HA H 6.19 0.05 1 536 59 59 ASP HB2 H 2.84 0.05 1 537 59 59 ASP HB3 H 2.66 0.05 1 538 59 59 ASP C C 175.26 0.50 1 539 59 59 ASP CA C 49.70 0.50 1 540 59 59 ASP CB C 42.31 0.50 1 541 59 59 ASP N N 126.93 0.30 1 542 60 60 LYS H H 9.29 0.02 1 543 60 60 LYS HA H 4.61 0.05 1 544 60 60 LYS HB2 H 2.16 0.05 1 545 60 60 LYS HB3 H 1.77 0.05 1 546 60 60 LYS HG2 H 1.70 0.05 1 547 60 60 LYS HG3 H 1.70 0.05 1 548 60 60 LYS HD2 H 1.83 0.05 1 549 60 60 LYS HD3 H 1.83 0.05 1 550 60 60 LYS HE2 H 3.11 0.05 1 551 60 60 LYS HE3 H 3.11 0.05 1 552 60 60 LYS C C 173.80 0.50 1 553 60 60 LYS CA C 55.30 0.50 1 554 60 60 LYS CB C 28.15 0.50 1 555 60 60 LYS CG C 23.68 0.50 1 556 60 60 LYS CD C 27.48 0.50 1 557 60 60 LYS CE C 39.79 0.50 1 558 60 60 LYS N N 127.03 0.30 1 559 61 61 SER H H 6.57 0.02 1 560 61 61 SER HA H 5.91 0.05 1 561 61 61 SER HB2 H 3.77 0.05 1 562 61 61 SER HB3 H 3.17 0.05 1 563 61 61 SER C C 170.13 0.50 1 564 61 61 SER CA C 55.28 0.50 1 565 61 61 SER CB C 66.45 0.50 1 566 61 61 SER N N 107.04 0.30 1 567 62 62 GLN H H 8.82 0.02 1 568 62 62 GLN HA H 5.13 0.05 1 569 62 62 GLN HB2 H 2.16 0.05 1 570 62 62 GLN HB3 H 1.77 0.05 1 571 62 62 GLN HG2 H 2.30 0.05 1 572 62 62 GLN HG3 H 2.30 0.05 1 573 62 62 GLN HE21 H 7.85 0.05 1 574 62 62 GLN HE22 H 6.55 0.05 1 575 62 62 GLN C C 171.25 0.50 1 576 62 62 GLN CA C 53.10 0.50 1 577 62 62 GLN CB C 27.65 0.50 1 578 62 62 GLN CG C 31.87 0.50 1 579 62 62 GLN N N 122.22 0.30 1 580 62 62 GLN NE2 N 111.56 0.30 1 581 63 63 VAL H H 9.28 0.02 1 582 63 63 VAL HA H 4.70 0.05 1 583 63 63 VAL HB H 2.23 0.05 1 584 63 63 VAL HG1 H 0.90 0.05 1 585 63 63 VAL HG2 H 1.06 0.05 1 586 63 63 VAL C C 172.92 0.50 1 587 63 63 VAL CA C 58.64 0.50 1 588 63 63 VAL CB C 32.62 0.50 1 589 63 63 VAL CG1 C 18.76 0.50 1 590 63 63 VAL CG2 C 17.65 0.50 1 591 63 63 VAL N N 125.03 0.30 1 592 64 64 TYR H H 8.99 0.02 1 593 64 64 TYR HA H 6.02 0.05 1 594 64 64 TYR HB2 H 3.21 0.05 1 595 64 64 TYR HB3 H 3.21 0.05 1 596 64 64 TYR C C 173.72 0.50 1 597 64 64 TYR CA C 52.86 0.50 1 598 64 64 TYR CB C 39.96 0.50 1 599 64 64 TYR N N 128.11 0.30 1 600 65 65 LEU H H 7.69 0.02 1 601 65 65 LEU HA H 4.44 0.05 1 602 65 65 LEU HB2 H 1.75 0.05 1 603 65 65 LEU HB3 H 0.93 0.05 1 604 65 65 LEU HG H 0.68 0.05 1 605 65 65 LEU C C 173.37 0.50 1 606 65 65 LEU CA C 53.12 0.50 1 607 65 65 LEU CB C 37.85 0.50 1 608 65 65 LEU CG C 23.28 0.50 1 609 65 65 LEU N N 131.83 0.30 1 610 66 66 THR H H 8.22 0.02 1 611 66 66 THR HA H 5.60 0.05 1 612 66 66 THR HB H 3.62 0.05 1 613 66 66 THR HG2 H 0.97 0.05 1 614 66 66 THR C C 170.70 0.50 1 615 66 66 THR CA C 60.01 0.50 1 616 66 66 THR CB C 72.51 0.50 1 617 66 66 THR CG2 C 17.87 0.50 1 618 66 66 THR N N 116.1 0.30 1 619 67 67 THR H H 8.71 0.02 1 620 67 67 THR HA H 5.16 0.05 1 621 67 67 THR HB H 4.18 0.05 1 622 67 67 THR HG2 H 1.16 0.05 1 623 67 67 THR C C 169.76 0.50 1 624 67 67 THR CA C 59.66 0.50 1 625 67 67 THR CB C 67.64 0.50 1 626 67 67 THR CG2 C 18.40 0.50 1 627 67 67 THR N N 121.68 0.30 1 628 68 68 CYS H H 9.61 0.02 1 629 68 68 CYS HA H 4.83 0.05 1 630 68 68 CYS HB2 H 2.08 0.05 1 631 68 68 CYS HB3 H 1.27 0.05 1 632 68 68 CYS C C 171.18 0.50 1 633 68 68 CYS CA C 53.88 0.50 1 634 68 68 CYS CB C 41.46 0.50 1 635 68 68 CYS N N 127.56 0.30 1 636 69 69 THR H H 8.86 0.02 1 637 69 69 THR HA H 5.60 0.05 1 638 69 69 THR HB H 4.11 0.05 1 639 69 69 THR HG2 H 1.32 0.05 1 640 69 69 THR C C 174.38 0.50 1 641 69 69 THR CA C 59.52 0.50 1 642 69 69 THR CB C 68.59 0.50 1 643 69 69 THR CG2 C 19.64 0.50 1 644 69 69 THR N N 126.58 0.30 1 645 70 70 GLY H H 9.27 0.02 1 646 70 70 GLY HA2 H 4.51 0.05 1 647 70 70 GLY HA3 H 4.05 0.05 1 648 70 70 GLY C C 172.25 0.50 1 649 70 70 GLY CA C 46.31 0.50 1 650 70 70 GLY N N 120.68 0.30 1 651 71 71 SER H H 7.25 0.02 1 652 71 71 SER HA H 5.45 0.05 1 653 71 71 SER HB2 H 3.95 0.05 1 654 71 71 SER HB3 H 3.28 0.05 1 655 71 71 SER C C 170.64 0.50 1 656 71 71 SER CA C 55.11 0.50 1 657 71 71 SER CB C 66.56 0.50 1 658 71 71 SER N N 110.19 0.30 1 659 72 72 GLN H H 8.65 0.02 1 660 72 72 GLN HA H 5.52 0.05 1 661 72 72 GLN HB2 H 2.16 0.05 1 662 72 72 GLN HB3 H 2.07 0.05 1 663 72 72 GLN HG2 H 2.42 0.05 1 664 72 72 GLN HG3 H 2.50 0.05 1 665 72 72 GLN C C 171.68 0.50 1 666 72 72 GLN CA C 51.63 0.50 1 667 72 72 GLN CB C 29.75 0.50 1 668 72 72 GLN CG C 31.37 0.50 1 669 72 72 GLN N N 122.5 0.30 1 670 73 73 TYR H H 9.01 0.02 1 671 73 73 TYR HA H 5.83 0.05 1 672 73 73 TYR HB2 H 3.26 0.05 1 673 73 73 TYR HB3 H 3.26 0.05 1 674 73 73 TYR C C 174.13 0.50 1 675 73 73 TYR CA C 49.57 0.50 1 676 73 73 TYR CB C 38.98 0.50 1 677 73 73 TYR N N 123.47 0.30 1 678 74 74 ASN H H 8.55 0.02 1 679 74 74 ASN HA H 5.70 0.05 1 680 74 74 ASN HB2 H 2.88 0.05 1 681 74 74 ASN HB3 H 2.74 0.05 1 682 74 74 ASN HD21 H 7.63 0.02 1 683 74 74 ASN HD22 H 6.78 0.02 1 684 74 74 ASN C C 172.8 0.50 1 685 74 74 ASN CA C 49.78 0.50 1 686 74 74 ASN CB C 38.47 0.50 1 687 74 74 ASN N N 121.95 0.30 1 688 74 74 ASN ND2 N 111.55 0.30 1 689 75 75 GLY H H 8.00 0.02 1 690 75 75 GLY HA2 H 4.59 0.05 1 691 75 75 GLY HA3 H 3.95 0.05 1 692 75 75 GLY C C 172.62 0.50 1 693 75 75 GLY CA C 46.45 0.50 1 694 75 75 GLY N N 115.08 0.30 1 695 76 76 ILE H H 7.85 0.02 1 696 76 76 ILE HA H 5.44 0.05 1 697 76 76 ILE HB H 1.48 0.05 1 698 76 76 ILE HG12 H 0.89 0.05 1 699 76 76 ILE HG13 H 0.89 0.05 1 700 76 76 ILE HG2 H 0.46 0.05 1 701 76 76 ILE HD1 H -0.11 0.05 1 702 76 76 ILE C C 170.78 0.50 1 703 76 76 ILE CA C 54.88 0.50 1 704 76 76 ILE CB C 38.12 0.50 1 705 76 76 ILE CG1 C 23.28 0.50 1 706 76 76 ILE CG2 C 15.00 0.50 1 707 76 76 ILE CD1 C 12.71 0.50 1 708 76 76 ILE N N 111.04 0.30 1 709 77 77 TYR H H 8.55 0.02 1 710 77 77 TYR HA H 5.58 0.05 1 711 77 77 TYR HB2 H 3.12 0.05 1 712 77 77 TYR HB3 H 3.12 0.05 1 713 77 77 TYR C C 170.68 0.50 1 714 77 77 TYR CA C 52.80 0.50 1 715 77 77 TYR CB C 37.40 0.50 1 716 77 77 TYR N N 122.96 0.30 1 717 78 78 ILE H H 8.92 0.02 1 718 78 78 ILE HA H 5.46 0.05 1 719 78 78 ILE HB H 1.14 0.05 1 720 78 78 ILE HG12 H 0.93 0.05 1 721 78 78 ILE HG13 H 0.93 0.05 1 722 78 78 ILE HG2 H 0.65 0.05 1 723 78 78 ILE C C 169.88 0.50 1 724 78 78 ILE CA C 55.56 0.50 1 725 78 78 ILE CB C 39.35 0.50 1 726 78 78 ILE CG1 C 23.85 0.50 1 727 78 78 ILE CG2 C 11.50 0.50 1 728 78 78 ILE N N 125.40 0.30 1 729 79 79 ARG H H 8.32 0.02 1 730 79 79 ARG HA H 6.08 0.05 1 731 79 79 ARG HB2 H 1.91 0.05 1 732 79 79 ARG HB3 H 1.82 0.05 1 733 79 79 ARG HG2 H 1.56 0.05 1 734 79 79 ARG HG3 H 1.56 0.05 1 735 79 79 ARG HD2 H 3.23 0.05 1 736 79 79 ARG HD3 H 3.23 0.05 1 737 79 79 ARG C C 175.63 0.50 1 738 79 79 ARG CA C 50.66 0.50 1 739 79 79 ARG CB C 32.53 0.50 1 740 79 79 ARG CG C 24.63 0.50 1 741 79 79 ARG CD C 41.36 0.50 1 742 79 79 ARG N N 122.51 0.30 1 743 80 80 SER H H 8.36 0.02 1 744 80 80 SER HA H 4.76 0.05 1 745 80 80 SER HB2 H 4.24 0.05 1 746 80 80 SER HB3 H 3.82 0.05 1 747 80 80 SER C C 171.84 0.50 1 748 80 80 SER CA C 56.75 0.50 1 749 80 80 SER CB C 59.61 0.50 1 750 80 80 SER N N 120.45 0.30 1 751 81 81 SER H H 7.35 0.02 1 752 81 81 SER HA H 5.61 0.05 1 753 81 81 SER HB2 H 3.30 0.05 1 754 81 81 SER HB3 H 3.85 0.05 1 755 81 81 SER C C 169.65 0.50 1 756 81 81 SER CA C 56.1 0.50 1 757 81 81 SER CB C 66.54 0.50 1 758 81 81 SER N N 111.81 0.30 1 759 82 82 THR H H 8.82 0.02 1 760 82 82 THR HA H 5.53 0.05 1 761 82 82 THR HB H 4.05 0.05 1 762 82 82 THR HG2 H 1.24 0.05 1 763 82 82 THR C C 172.21 0.50 1 764 82 82 THR CA C 59.39 0.50 1 765 82 82 THR CB C 69.82 0.50 1 766 82 82 THR CG2 C 18.65 0.50 1 767 82 82 THR N N 118.22 0.30 1 768 83 83 THR H H 9.12 0.02 1 769 83 83 THR HA H 5.90 0.05 1 770 83 83 THR HB H 4.18 0.05 1 771 83 83 THR HG2 H 1.09 0.05 1 772 83 83 THR C C 171.21 0.50 1 773 83 83 THR CA C 55.40 0.50 1 774 83 83 THR CB C 69.83 0.50 1 775 83 83 THR CG2 C 17.65 0.50 1 776 83 83 THR N N 113.6 0.30 1 777 84 84 THR H H 9.07 0.02 1 778 84 84 THR HA H 5.76 0.05 1 779 84 84 THR HB H 4.03 0.05 1 780 84 84 THR HG2 H 1.28 0.05 1 781 84 84 THR C C 175.18 0.50 1 782 84 84 THR CA C 58.33 0.50 1 783 84 84 THR CB C 68.83 0.50 1 784 84 84 THR CG2 C 19.09 0.50 1 785 84 84 THR N N 121.19 0.30 1 786 85 85 GLY H H 8.48 0.02 1 787 85 85 GLY HA2 H 4.49 0.05 1 788 85 85 GLY HA3 H 3.97 0.05 1 789 85 85 GLY C C 172.04 0.50 1 790 85 85 GLY CA C 47.2 0.50 1 791 85 85 GLY N N 120.21 0.30 1 792 86 86 THR H H 8.02 0.02 1 793 86 86 THR HA H 5.00 0.05 1 794 86 86 THR HB H 3.58 0.05 1 795 86 86 THR HG2 H 1.29 0.05 1 796 86 86 THR C C 169.19 0.50 1 797 86 86 THR CA C 60.18 0.50 1 798 86 86 THR CB C 71.43 0.50 1 799 86 86 THR CG2 C 19.53 0.50 1 800 86 86 THR N N 113.09 0.30 1 801 87 87 SER H H 9.40 0.02 1 802 87 87 SER HA H 5.56 0.05 1 803 87 87 SER HB2 H 3.87 0.05 1 804 87 87 SER HB3 H 3.87 0.05 1 805 87 87 SER C C 172.06 0.50 1 806 87 87 SER CA C 54.01 0.50 1 807 87 87 SER CB C 61.22 0.50 1 808 87 87 SER N N 122.37 0.30 1 809 88 88 ILE H H 9.51 0.02 1 810 88 88 ILE HA H 5.25 0.05 1 811 88 88 ILE HB H 1.84 0.05 1 812 88 88 ILE HG12 H 0.96 0.05 1 813 88 88 ILE HG13 H 0.96 0.05 1 814 88 88 ILE HG2 H 0.84 0.05 1 815 88 88 ILE C C 173.23 0.50 1 816 88 88 ILE CA C 58.66 0.50 1 817 88 88 ILE CB C 37.65 0.50 1 818 88 88 ILE CG1 C 18.84 0.50 1 819 88 88 ILE CG2 C 15.03 0.50 1 820 88 88 ILE N N 126.86 0.30 1 821 89 89 SER H H 8.94 0.02 1 822 89 89 SER HA H 5.75 0.05 1 823 89 89 SER HB2 H 4.02 0.05 1 824 89 89 SER HB3 H 3.92 0.05 1 825 89 89 SER C C 172.02 0.50 1 826 89 89 SER CA C 54.7 0.50 1 827 89 89 SER CB C 64.37 0.50 1 828 89 89 SER N N 121.71 0.30 1 829 90 90 GLY H H 8.59 0.02 1 830 90 90 GLY HA2 H 3.95 0.05 1 831 90 90 GLY HA3 H 4.50 0.05 1 832 90 90 GLY CA C 41.30 0.50 1 833 90 90 GLY N N 111.57 0.30 1 834 91 91 PRO HA H 5.34 0.05 1 835 91 91 PRO HB2 H 2.57 0.05 1 836 91 91 PRO HB3 H 2.2 0.05 1 837 91 91 PRO HG2 H 2.00 0.05 1 838 91 91 PRO HG3 H 1.9 0.05 1 839 91 91 PRO HD2 H 3.68 0.05 1 840 91 91 PRO HD3 H 3.6 0.05 1 841 91 91 PRO C C 174.81 0.50 1 842 91 91 PRO CA C 61.2 0.50 1 843 91 91 PRO CB C 32.39 0.50 1 844 91 91 PRO CG C 22.8 0.50 1 845 91 91 PRO CD C 48.39 0.50 1 846 92 92 GLY H H 9.08 0.02 1 847 92 92 GLY HA2 H 4.06 0.05 1 848 92 92 GLY HA3 H 3.86 0.05 1 849 92 92 GLY C C 171.74 0.50 1 850 92 92 GLY CA C 44.07 0.50 1 851 92 92 GLY N N 108.28 0.30 1 852 93 93 CYS H H 7.00 0.02 1 853 93 93 CYS HA H 5.30 0.05 1 854 93 93 CYS HB2 H 3.51 0.05 1 855 93 93 CYS HB3 H 2.40 0.05 1 856 93 93 CYS C C 171.88 0.50 1 857 93 93 CYS CA C 52.23 0.50 1 858 93 93 CYS CB C 37.06 0.50 1 859 93 93 CYS N N 117.11 0.30 1 860 94 94 SER H H 9.49 0.02 1 861 94 94 SER HA H 5.76 0.05 1 862 94 94 SER HB2 H 3.86 0.05 1 863 94 94 SER HB3 H 3.78 0.05 1 864 94 94 SER C C 171.43 0.50 1 865 94 94 SER CA C 54.37 0.50 1 866 94 94 SER CB C 62.91 0.50 1 867 94 94 SER N N 126.55 0.30 1 868 95 95 ILE H H 8.92 0.02 1 869 95 95 ILE HA H 5.08 0.05 1 870 95 95 ILE HB H 1.34 0.05 1 871 95 95 ILE HG12 H 1.07 0.05 1 872 95 95 ILE HG13 H 1.07 0.05 1 873 95 95 ILE C C 173.05 0.50 1 874 95 95 ILE CA C 58.03 0.50 1 875 95 95 ILE CB C 40.30 0.50 1 876 95 95 ILE CG1 C 26.60 0.50 1 877 95 95 ILE CG2 C 13.80 0.50 1 878 95 95 ILE N N 125.64 0.30 1 879 96 96 SER H H 9.01 0.02 1 880 96 96 SER HA H 5.33 0.05 1 881 96 96 SER HB2 H 3.73 0.05 1 882 96 96 SER HB3 H 3.73 0.05 1 883 96 96 SER C C 169.90 0.50 1 884 96 96 SER CA C 53.42 0.50 1 885 96 96 SER CB C 62.84 0.50 1 886 96 96 SER N N 121.23 0.30 1 887 97 97 THR H H 7.75 0.02 1 888 97 97 THR HA H 4.17 0.05 1 889 97 97 THR HB H 4.58 0.05 1 890 97 97 THR HG2 H 1.28 0.05 1 891 97 97 THR C C 171.47 0.50 1 892 97 97 THR CA C 59.52 0.50 1 893 97 97 THR CB C 62.74 0.50 1 894 97 97 THR CG2 C 21.30 0.50 1 895 97 97 THR N N 116.60 0.30 1 896 98 98 CYS H H 8.15 0.02 1 897 98 98 CYS HA H 5.38 0.05 1 898 98 98 CYS HB2 H 2.83 0.05 1 899 98 98 CYS HB3 H 2.36 0.05 1 900 98 98 CYS C C 171.98 0.50 1 901 98 98 CYS CA C 52.71 0.50 1 902 98 98 CYS CB C 46.94 0.50 1 903 98 98 CYS N N 115.59 0.30 1 904 99 99 THR H H 9.63 0.02 1 905 99 99 THR HA H 5.06 0.05 1 906 99 99 THR HB H 4.05 0.05 1 907 99 99 THR HG2 H 1.16 0.05 1 908 99 99 THR C C 171.72 0.50 1 909 99 99 THR CA C 60.26 0.50 1 910 99 99 THR CB C 67.65 0.50 1 911 99 99 THR CG2 C 19.15 0.50 1 912 99 99 THR N N 119.9 0.30 1 913 100 100 ILE H H 8.99 0.02 1 914 100 100 ILE HA H 4.74 0.05 1 915 100 100 ILE HB H 1.60 0.05 1 916 100 100 ILE HG12 H 0.94 0.05 1 917 100 100 ILE HG13 H 0.94 0.05 1 918 100 100 ILE HG2 H 0.75 0.05 1 919 100 100 ILE C C 172.30 0.50 1 920 100 100 ILE CA C 58.07 0.50 1 921 100 100 ILE CB C 38.51 0.50 1 922 100 100 ILE CG1 C 25.37 0.50 1 923 100 100 ILE CG2 C 16.38 0.50 1 924 100 100 ILE N N 125.36 0.30 1 925 101 101 THR H H 8.58 0.02 1 926 101 101 THR HA H 4.90 0.05 1 927 101 101 THR HB H 3.99 0.05 1 928 101 101 THR HG2 H 1.27 0.05 1 929 101 101 THR C C 172.09 0.50 1 930 101 101 THR CA C 58.90 0.50 1 931 101 101 THR CB C 67.75 0.50 1 932 101 101 THR CG2 C 19.64 0.50 1 933 101 101 THR N N 124.25 0.30 1 934 102 102 ARG H H 9.11 0.02 1 935 102 102 ARG HA H 4.28 0.05 1 936 102 102 ARG HB2 H 2.10 0.05 1 937 102 102 ARG HB3 H 2.10 0.05 1 938 102 102 ARG HG2 H 1.86 0.05 1 939 102 102 ARG HG3 H 1.73 0.05 1 940 102 102 ARG HD2 H 3.36 0.05 1 941 102 102 ARG HD3 H 3.36 0.05 1 942 102 102 ARG C C 173.09 0.50 1 943 102 102 ARG CA C 54.55 0.50 1 944 102 102 ARG CB C 25.56 0.50 1 945 102 102 ARG CG C 25.61 0.50 1 946 102 102 ARG CD C 40.67 0.50 1 947 102 102 ARG N N 126.4 0.30 1 948 103 103 GLY H H 8.21 0.02 1 949 103 103 GLY HA2 H 4.07 0.05 1 950 103 103 GLY HA3 H 3.16 0.05 1 951 103 103 GLY C C 169.76 0.50 1 952 103 103 GLY CA C 42.39 0.50 1 953 103 103 GLY N N 100.29 0.30 1 954 104 104 VAL H H 7.55 0.02 1 955 104 104 VAL HA H 4.21 0.05 1 956 104 104 VAL HB H 2.10 0.05 1 957 104 104 VAL HG1 H 0.94 0.05 1 958 104 104 VAL HG2 H 0.94 0.05 1 959 104 104 VAL C C 173.66 0.50 1 960 104 104 VAL CA C 59.47 0.50 1 961 104 104 VAL CB C 31.82 0.50 1 962 104 104 VAL CG2 C 18.65 0.50 1 963 104 104 VAL N N 119.15 0.30 1 964 105 105 ALA H H 9.39 0.02 1 965 105 105 ALA HA H 5.05 0.05 1 966 105 105 ALA HB H 1.3 0.05 1 967 105 105 ALA C C 175.04 0.50 1 968 105 105 ALA CA C 48.51 0.50 1 969 105 105 ALA CB C 16.81 0.50 1 970 105 105 ALA N N 104.07 0.30 1 971 106 106 THR H H 9.02 0.02 1 972 106 106 THR HA H 4.50 0.05 1 973 106 106 THR CA C 59.68 0.50 1 974 106 106 THR CB C 67.76 0.50 1 975 106 106 THR N N 123.62 0.30 1 976 107 107 PRO HA H 4.51 0.05 1 977 107 107 PRO HB2 H 2.24 0.05 1 978 107 107 PRO HB3 H 2.02 0.05 1 979 107 107 PRO HG2 H 2.03 0.05 1 980 107 107 PRO HG3 H 2.17 0.05 1 981 107 107 PRO HD2 H 4.22 0.05 1 982 107 107 PRO HD3 H 3.75 0.05 1 983 107 107 PRO C C 173.87 0.50 1 984 107 107 PRO CA C 61.39 0.50 1 985 107 107 PRO CB C 28.92 0.50 1 986 107 107 PRO CG C 25.43 0.50 1 987 107 107 PRO CD C 49.33 0.50 1 988 108 108 ALA H H 8.06 0.02 1 989 108 108 ALA HA H 4.47 0.05 1 990 108 108 ALA HB H 1.52 0.05 1 991 108 108 ALA C C 175.28 0.50 1 992 108 108 ALA CA C 50.09 0.50 1 993 108 108 ALA CB C 18.50 0.50 1 994 108 108 ALA N N 126.86 0.30 1 995 109 109 ALA H H 8.91 0.02 1 996 109 109 ALA HA H 4.13 0.05 1 997 109 109 ALA HB H 1.47 0.05 1 998 109 109 ALA C C 176.92 0.50 1 999 109 109 ALA CA C 52.74 0.50 1 1000 109 109 ALA CB C 15.86 0.50 1 1001 109 109 ALA N N 127.26 0.30 1 1002 110 110 ALA H H 8.33 0.02 1 1003 110 110 ALA HA H 4.24 0.05 1 1004 110 110 ALA HB H 1.48 0.05 1 1005 110 110 ALA C C 174.81 0.50 1 1006 110 110 ALA CA C 50.47 0.50 1 1007 110 110 ALA CB C 17.35 0.50 1 1008 110 110 ALA N N 115.16 0.30 1 1009 111 111 CYS H H 7.21 0.02 1 1010 111 111 CYS HA H 5.05 0.05 1 1011 111 111 CYS HB2 H 3.80 0.05 1 1012 111 111 CYS HB3 H 2.97 0.05 1 1013 111 111 CYS C C 172.37 0.50 1 1014 111 111 CYS CA C 53.64 0.50 1 1015 111 111 CYS CB C 35.18 0.50 1 1016 111 111 CYS N N 114.25 0.30 1 1017 112 112 LYS H H 8.96 0.02 1 1018 112 112 LYS HA H 4.76 0.05 1 1019 112 112 LYS HB2 H 1.78 0.05 1 1020 112 112 LYS HB3 H 1.78 0.05 1 1021 112 112 LYS HG2 H 1.45 0.05 1 1022 112 112 LYS HG3 H 1.45 0.05 1 1023 112 112 LYS HD2 H 1.69 0.05 1 1024 112 112 LYS HD3 H 1.69 0.05 1 1025 112 112 LYS HE2 H 2.98 0.05 1 1026 112 112 LYS HE3 H 2.98 0.05 1 1027 112 112 LYS C C 172.39 0.50 1 1028 112 112 LYS CA C 52.03 0.50 1 1029 112 112 LYS CB C 31.77 0.50 1 1030 112 112 LYS CG C 21.70 0.50 1 1031 112 112 LYS CD C 26.25 0.50 1 1032 112 112 LYS CE C 40.06 0.50 1 1033 112 112 LYS N N 132.23 0.30 1 1034 113 113 ILE H H 8.52 0.02 1 1035 113 113 ILE HA H 4.79 0.05 1 1036 113 113 ILE HB H 1.70 0.05 1 1037 113 113 ILE HG12 H 0.86 0.05 1 1038 113 113 ILE HG13 H 0.86 0.05 1 1039 113 113 ILE HG2 H 0.86 0.05 1 1040 113 113 ILE C C 173.40 0.50 1 1041 113 113 ILE CA C 58.71 0.50 1 1042 113 113 ILE CB C 38.43 0.50 1 1043 113 113 ILE CG1 C 26.02 0.50 1 1044 113 113 ILE CG2 C 11.08 0.50 1 1045 113 113 ILE N N 125.62 0.30 1 1046 114 114 SER H H 8.93 0.02 1 1047 114 114 SER HA H 4.87 0.05 1 1048 114 114 SER HB2 H 3.87 0.05 1 1049 114 114 SER HB3 H 3.78 0.05 1 1050 114 114 SER C C 171.33 0.50 1 1051 114 114 SER CA C 54.74 0.50 1 1052 114 114 SER CB C 62.58 0.50 1 1053 114 114 SER N N 121.4 0.30 1 1054 115 115 GLY H H 8.97 0.02 1 1055 115 115 GLY HA2 H 3.89 0.05 1 1056 115 115 GLY HA3 H 4.26 0.05 1 1057 115 115 GLY C C 172.60 0.50 1 1058 115 115 GLY CA C 44.13 0.50 1 1059 115 115 GLY N N 114.3 0.30 1 1060 116 116 CYS H H 8.03 0.02 1 1061 116 116 CYS HA H 5.22 0.05 1 1062 116 116 CYS HB2 H 2.76 0.05 1 1063 116 116 CYS HB3 H 2.60 0.05 1 1064 116 116 CYS C C 172.06 0.50 1 1065 116 116 CYS CA C 52.78 0.50 1 1066 116 116 CYS CB C 44.94 0.50 1 1067 116 116 CYS N N 115.06 0.30 1 1068 117 117 SER H H 8.90 0.02 1 1069 117 117 SER HA H 4.84 0.05 1 1070 117 117 SER HB2 H 3.85 0.05 1 1071 117 117 SER HB3 H 3.90 0.05 1 1072 117 117 SER C C 171.45 0.50 1 1073 117 117 SER CA C 55.04 0.50 1 1074 117 117 SER CB C 61.19 0.50 1 1075 117 117 SER N N 118.04 0.30 1 1076 118 118 LEU H H 9.04 0.02 1 1077 118 118 LEU HA H 5.41 0.05 1 1078 118 118 LEU HB2 H 1.88 0.05 1 1079 118 118 LEU HB3 H 1.40 0.05 1 1080 118 118 LEU HG H 0.87 0.05 1 1081 118 118 LEU C C 174.4 0.50 1 1082 118 118 LEU CA C 52.01 0.50 1 1083 118 118 LEU CB C 43.19 0.50 1 1084 118 118 LEU CG C 23.14 0.50 1 1085 118 118 LEU N N 127.37 0.30 1 1086 119 119 SER H H 8.85 0.02 1 1087 119 119 SER HA H 4.84 0.05 1 1088 119 119 SER HB2 H 3.97 0.05 1 1089 119 119 SER HB3 H 3.90 0.05 1 1090 119 119 SER C C 170.94 0.50 1 1091 119 119 SER CA C 55.12 0.50 1 1092 119 119 SER CB C 63.29 0.50 1 1093 119 119 SER N N 113.14 0.30 1 1094 120 120 ALA H H 9.00 0.02 1 1095 120 120 ALA HA H 4.34 0.05 1 1096 120 120 ALA HB H 1.43 0.05 1 1097 120 120 ALA C C 174.79 0.50 1 1098 120 120 ALA CA C 50.4 0.50 1 1099 120 120 ALA CB C 16.76 0.50 1 1100 120 120 ALA N N 126.02 0.30 1 1101 121 121 MET H H 7.73 0.02 1 1102 121 121 MET HA H 4.26 0.05 1 1103 121 121 MET HB2 H 2.01 0.05 1 1104 121 121 MET HB3 H 1.80 0.05 1 1105 121 121 MET HG2 H 2.55 0.05 1 1106 121 121 MET HG3 H 2.21 0.05 1 1107 121 121 MET CA C 54.76 0.50 1 1108 121 121 MET CB C 31.56 0.50 1 1109 121 121 MET CG C 29.50 0.50 1 1110 121 121 MET N N 125.69 0.50 1 stop_ save_ save_shifts_at_270K _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label experiment_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'cfAFP-501, monomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP C C 174.03 0.50 1 2 1 1 ASP CA C 51.70 0.50 1 3 2 2 GLY H H 8.87 0.02 1 4 2 2 GLY HA2 H 4.14 0.05 1 5 2 2 GLY HA3 H 4.14 0.05 1 6 2 2 GLY C C 172.27 0.50 1 7 2 2 GLY CA C 43.12 0.50 1 8 2 2 GLY N N 110.9 0.30 1 9 3 3 THR H H 8.96 0.02 1 10 3 3 THR HA H 4.86 0.05 1 11 3 3 THR C C 172.27 0.50 1 12 3 3 THR CA C 58.82 0.50 1 13 3 3 THR N N 111.71 0.30 1 14 5 5 VAL C C 171.82 0.50 1 15 5 5 VAL CA C 59.93 0.30 1 16 6 6 ASN H H 8.80 0.02 1 17 6 6 ASN HA H 5.25 0.05 1 18 6 6 ASN C C 173.54 0.50 1 19 6 6 ASN CA C 49.23 0.50 1 20 6 6 ASN N N 129.01 0.30 1 21 7 7 THR H H 9.01 0.02 1 22 7 7 THR HA H 4.45 0.05 1 23 7 7 THR C C 170.94 0.50 1 24 7 7 THR CA C 59.18 0.50 1 25 7 7 THR N N 123.87 0.30 1 26 8 8 ASN H H 9.49 0.02 1 27 8 8 ASN HA H 4.37 0.50 1 28 8 8 ASN C C 171.42 0.50 1 29 8 8 ASN CA C 51.91 0.50 1 30 8 8 ASN N N 124.15 0.30 1 31 9 9 SER H H 8.92 0.02 1 32 9 9 SER HA H 5.27 0.05 1 33 9 9 SER C C 170.49 0.50 1 34 9 9 SER CA C 55.50 0.50 1 35 9 9 SER N N 110.66 0.30 1 36 10 10 GLN H H 8.35 0.02 1 37 10 10 GLN HA H 4.52 0.05 1 38 10 10 GLN C C 170.20 0.50 1 39 10 10 GLN CA C 51.91 0.50 1 40 10 10 GLN N N 125.20 0.30 1 41 11 11 ILE H H 8.61 0.02 1 42 11 11 ILE HA H 4.52 0.05 1 43 11 11 ILE C C 173.95 0.50 1 44 11 11 ILE CA C 57.67 0.50 1 45 11 11 ILE N N 126.71 0.30 1 46 12 12 THR H H 8.64 0.02 1 47 12 12 THR HA H 4.28 0.05 1 48 12 12 THR C C 173.23 0.50 1 49 12 12 THR CA C 60.50 0.50 1 50 12 12 THR N N 118.28 0.30 1 51 13 13 ALA H H 8.97 0.02 1 52 13 13 ALA HA H 4.25 0.05 1 53 13 13 ALA C C 175.80 0.50 1 54 13 13 ALA CA C 52.22 0.50 1 55 13 13 ALA N N 123.13 0.30 1 56 14 14 ASN H H 8.02 0.02 1 57 14 14 ASN HA H 4.66 0.05 1 58 14 14 ASN C C 172.89 0.50 1 59 14 14 ASN CA C 49.12 0.50 1 60 14 14 ASN N N 111.90 0.05 1 61 15 15 SER H H 7.87 0.02 1 62 15 15 SER HA H 5.19 0.05 1 63 15 15 SER C C 170.77 0.50 1 64 15 15 SER CA C 56.43 0.50 1 65 15 15 SER N N 116.88 0.30 1 66 16 16 GLN H H 8.64 0.02 1 67 16 16 GLN HA H 4.72 0.05 1 68 16 16 GLN C C 171.28 0.50 1 69 16 16 GLN CA C 51.87 0.50 1 70 16 16 GLN N N 118.57 0.30 1 71 17 17 CYS H H 8.97 0.02 1 72 17 17 CYS HA H 5.60 0.05 1 73 17 17 CYS CA C 51.25 0.50 1 74 17 17 CYS N N 124.02 0.30 1 75 18 18 VAL HA H 5.41 0.02 1 76 18 18 VAL C C 172.42 0.50 1 77 18 18 VAL CA C 58.99 0.50 1 78 19 19 LYS H H 9.49 0.02 1 79 19 19 LYS HA H 4.10 0.05 1 80 19 19 LYS C C 172.73 0.50 1 81 19 19 LYS CA C 55.07 0.50 1 82 19 19 LYS N N 130.03 0.30 1 83 20 20 SER H H 7.29 0.02 1 84 20 20 SER HA H 5.41 0.05 1 85 20 20 SER C C 167.91 0.50 1 86 20 20 SER CA C 55.87 0.50 1 87 20 20 SER N N 109.71 0.30 1 88 21 21 THR H H 8.12 0.02 1 89 21 21 THR HA H 4.94 0.05 1 90 21 21 THR C C 169.31 0.50 1 91 21 21 THR CA C 58.41 0.50 1 92 21 21 THR N N 116.77 0.30 1 93 22 22 ALA H H 9.11 0.02 1 94 22 22 ALA HA H 5.30 0.05 1 95 22 22 ALA C C 172.84 0.50 1 96 22 22 ALA CA C 48.01 0.50 1 97 22 22 ALA N N 128.43 0.30 1 98 23 23 THR H H 9.32 0.02 1 99 23 23 THR HA H 5.20 0.05 1 100 23 23 THR C C 170.34 0.50 1 101 23 23 THR CA C 58.10 0.50 1 102 23 23 THR N N 126.47 0.30 1 103 24 24 ASN H H 8.90 0.02 1 104 24 24 ASN HA H 4.54 0.05 1 105 24 24 ASN C C 171.08 0.50 1 106 24 24 ASN CA C 52.60 0.50 1 107 24 24 ASN N N 122.00 0.30 1 108 25 25 CYS H H 8.94 0.02 1 109 25 25 CYS HA H 5.50 0.05 1 110 25 25 CYS C C 169.68 0.50 1 111 25 25 CYS CA C 53.50 0.50 1 112 25 25 CYS N N 112.58 0.30 1 113 26 26 TYR H H 8.42 0.02 1 114 26 26 TYR HA H 5.08 0.05 1 115 26 26 TYR C C 170.91 0.50 1 116 26 26 TYR CA C 54.91 0.50 1 117 26 26 TYR N N 124.37 0.30 1 118 27 27 ILE H H 8.72 0.02 1 119 27 27 ILE HA H 4.17 0.05 1 120 27 27 ILE C C 169.38 0.50 1 121 27 27 ILE CA C 59.46 0.50 1 122 27 27 ILE N N 126.78 0.30 1 123 28 28 ASP H H 8.18 0.02 1 124 28 28 ASP HA H 5.34 0.05 1 125 28 28 ASP C C 174.00 0.50 1 126 28 28 ASP CA C 49.93 0.50 1 127 28 28 ASP N N 126.01 0.30 1 128 29 29 ASN H H 7.88 0.02 1 129 29 29 ASN HA H 4.13 0.05 1 130 29 29 ASN C C 171.93 0.50 1 131 29 29 ASN CA C 51.04 0.50 1 132 29 29 ASN N N 131.97 0.30 1 133 30 30 SER H H 8.43 0.02 1 134 30 30 SER HA H 5.57 0.05 1 135 30 30 SER C C 168.94 0.50 1 136 30 30 SER CA C 55.44 0.50 1 137 30 30 SER N N 111.55 0.50 1 138 31 31 GLN H H 8.77 0.02 1 139 31 31 GLN HA H 5.19 0.05 1 140 31 31 GLN C C 169.84 0.50 1 141 31 31 GLN CA C 52.28 0.50 1 142 31 31 GLN N N 118.12 0.30 1 143 32 32 LEU H H 8.77 0.02 1 144 32 32 LEU HA H 5.26 0.05 1 145 32 32 LEU C C 171.93 0.50 1 146 32 32 LEU CA C 50.80 0.50 1 147 32 32 LEU N N 128.33 0.30 1 148 33 33 VAL H H 8.96 0.02 1 149 33 33 VAL HA H 5.70 0.05 1 150 33 33 VAL C C 174.70 0.50 1 151 33 33 VAL CA C 56.14 0.50 1 152 33 33 VAL N N 115.16 0.30 1 153 34 34 ASP H H 7.93 0.02 1 154 34 34 ASP HA H 4.25 0.05 1 155 34 34 ASP C C 171.17 0.50 1 156 34 34 ASP CA C 52.31 0.50 1 157 34 34 ASP N N 119.63 0.30 1 158 35 35 THR H H 7.96 0.02 1 159 35 35 THR HA H 4.37 0.05 1 160 35 35 THR C C 172.08 0.50 1 161 35 35 THR CA C 59.77 0.50 1 162 35 35 THR N N 114.85 0.30 1 163 36 36 SER H H 7.87 0.02 1 164 36 36 SER HA H 5.43 0.05 1 165 36 36 SER C C 172.26 0.50 1 166 36 36 SER CA C 56.02 0.50 1 167 36 36 SER N N 114.67 0.30 1 168 37 37 ILE H H 8.95 0.02 1 169 37 37 ILE HA H 4.65 0.05 1 170 37 37 ILE C C 170.93 0.50 1 171 37 37 ILE CA C 58.82 0.50 1 172 37 37 ILE N N 122.76 0.30 1 173 38 38 CYS H H 9.44 0.02 1 174 38 38 CYS HA H 4.88 0.05 1 175 38 38 CYS C C 170.94 0.50 1 176 38 38 CYS CA C 53.93 0.50 1 177 38 38 CYS N N 127.94 0.30 1 178 39 39 THR H H 9.25 0.02 1 179 39 39 THR HA H 5.25 0.05 1 180 39 39 THR C C 172.22 0.50 1 181 39 39 THR CA C 59.51 0.50 1 182 39 39 THR N N 127.37 0.30 1 183 40 40 ARG H H 9.48 0.02 1 184 40 40 ARG HA H 4.29 0.05 1 185 40 40 ARG C C 171.75 0.50 1 186 40 40 ARG CA C 54.43 0.50 1 187 40 40 ARG N N 127.41 0.30 1 188 41 41 SER H H 7.43 0.02 1 189 41 41 SER HA H 5.67 0.05 1 190 41 41 SER C C 168.55 0.50 1 191 41 41 SER CA C 53.96 0.50 1 192 41 41 SER N N 109.02 0.30 1 193 42 42 GLN H H 8.39 0.02 1 194 42 42 GLN HA H 5.55 0.05 1 195 42 42 GLN C C 171.68 0.50 1 196 42 42 GLN CA C 51.78 0.50 1 197 42 42 GLN N N 120.79 0.30 1 198 43 43 TYR H H 9.40 0.02 1 199 43 43 TYR HA H 6.10 0.05 1 200 43 43 TYR C C 173.67 0.50 1 201 43 43 TYR CA C 49.08 0.50 1 202 43 43 TYR N N 123.86 0.30 1 203 44 44 SER H H 9.07 0.02 1 204 44 44 SER HA H 5.49 0.05 1 205 44 44 SER C C 170.84 0.50 1 206 44 44 SER CA C 53.66 0.50 1 207 44 44 SER N N 117.79 0.30 1 208 45 45 ASP H H 7.83 0.02 1 209 45 45 ASP HA H 4.77 0.05 1 210 45 45 ASP C C 172.14 0.50 1 211 45 45 ASP CA C 52.21 0.50 1 212 45 45 ASP N N 124.72 0.30 1 213 46 46 ALA H H 8.86 0.02 1 214 46 46 ALA HA H 5.46 0.05 1 215 46 46 ALA C C 172.1 0.50 1 216 46 46 ALA CA C 47.73 0.50 1 217 46 46 ALA N N 119.73 0.30 1 218 47 47 ASN H H 8.30 0.02 1 219 47 47 ASN HA H 5.19 0.05 1 220 47 47 ASN C C 169.66 0.50 1 221 47 47 ASN CA C 50.74 0.50 1 222 47 47 ASN N N 120.14 0.30 1 223 48 48 VAL H H 9.31 0.02 1 224 48 48 VAL C C 169.67 0.50 1 225 48 48 VAL CA C 60.22 0.50 1 226 48 48 VAL N N 128.51 0.30 1 227 49 49 LYS H H 8.66 0.02 1 228 49 49 LYS HA H 5.16 0.05 1 229 49 49 LYS C C 173.37 0.50 1 230 49 49 LYS CA C 51.82 0.50 1 231 49 49 LYS N N 126.05 0.30 1 232 50 50 LYS H H 8.38 0.02 1 233 50 50 LYS HA H 4.14 0.05 1 234 50 50 LYS C C 173.28 0.50 1 235 50 50 LYS CA C 55.29 0.50 1 236 50 50 LYS N N 134.34 0.30 1 237 51 51 SER H H 8.54 0.02 1 238 51 51 SER HA H 5.28 0.05 1 239 51 51 SER C C 168.17 0.50 1 240 51 51 SER CA C 56.25 0.50 1 241 51 51 SER N N 114.13 0.30 1 242 52 52 VAL H H 8.72 0.02 1 243 52 52 VAL HA H 5.08 0.05 1 244 52 52 VAL C C 173.25 0.50 1 245 52 52 VAL CA C 58.24 0.50 1 246 52 52 VAL N N 122.85 0.30 1 247 53 53 THR H H 9.27 0.02 1 248 53 53 THR HA H 5.74 0.05 1 249 53 53 THR C C 170.14 0.50 1 250 53 53 THR CA C 54.39 0.50 1 251 53 53 THR N N 114.98 0.30 1 252 54 54 THR H H 9.40 0.02 1 253 54 54 THR HA H 5.34 0.05 1 254 54 54 THR C C 170.43 0.50 1 255 54 54 THR CA C 58.20 0.50 1 256 54 54 THR N N 126.64 0.30 1 257 55 55 ASP H H 8.31 0.02 1 258 55 55 ASP HA H 4.92 0.05 1 259 55 55 ASP C C 172.24 0.50 1 260 55 55 ASP CA C 53.63 0.50 1 261 55 55 ASP N N 121.52 0.30 1 262 56 56 CYS H H 7.93 0.02 1 263 56 56 CYS HA H 5.92 0.05 1 264 56 56 CYS C C 169.49 0.50 1 265 56 56 CYS CA C 52.64 0.50 1 266 56 56 CYS N N 110.43 0.30 1 267 57 57 ASN H H 7.94 0.02 1 268 57 57 ASN HA H 5.63 0.05 1 269 57 57 ASN C C 171.37 0.50 1 270 57 57 ASN CA C 49.96 0.50 1 271 57 57 ASN N N 121.16 0.30 1 272 58 58 ILE H H 9.54 0.02 1 273 58 58 ILE HA H 4.57 0.05 1 274 58 58 ILE C C 169.58 0.50 1 275 58 58 ILE CA C 58.97 0.50 1 276 58 58 ILE N N 125.25 0.30 1 277 59 59 ASP H H 8.81 0.02 1 278 59 59 ASP HA H 6.22 0.05 1 279 59 59 ASP C C 174.98 0.50 1 280 59 59 ASP CA C 49.24 0.50 1 281 59 59 ASP N N 127.05 0.30 1 282 60 60 LYS H H 9.31 0.02 1 283 60 60 LYS HA H 4.59 0.05 1 284 60 60 LYS C C 173.45 0.50 1 285 60 60 LYS CA C 54.92 0.50 1 286 60 60 LYS N N 127.41 0.30 1 287 61 61 SER H H 6.63 0.02 1 288 61 61 SER HA H 5.90 0.05 1 289 61 61 SER C C 168.64 0.50 1 290 61 61 SER CA C 54.91 0.50 1 291 61 61 SER N N 107.45 0.30 1 292 62 62 GLN H H 8.88 0.02 1 293 62 62 GLN HA H 5.18 0.05 1 294 62 62 GLN C C 170.8 0.50 1 295 62 62 GLN CA C 52.56 0.50 1 296 62 62 GLN N N 122.29 0.30 1 297 63 63 VAL H H 9.36 0.02 1 298 63 63 VAL HA H 4.66 0.05 1 299 63 63 VAL C C 172.66 0.50 1 300 63 63 VAL CA C 58.23 0.50 1 301 63 63 VAL N N 125.31 0.30 1 302 64 64 TYR H H 9.09 0.02 1 303 64 64 TYR HA H 6.05 0.05 1 304 64 64 TYR C C 173.29 0.50 1 305 64 64 TYR CA C 52.38 0.50 1 306 64 64 TYR N N 128.67 0.30 1 307 65 65 LEU H H 7.69 0.02 1 308 65 65 LEU HA H 4.30 0.05 1 309 65 65 LEU C C 172.69 0.50 1 310 65 65 LEU CA C 52.60 0.50 1 311 65 65 LEU N N 132.19 0.30 1 312 66 66 THR H H 8.26 0.02 1 313 66 66 THR HA H 5.57 0.05 1 314 66 66 THR C C 170.24 0.50 1 315 66 66 THR CA C 59.54 0.50 1 316 66 66 THR N N 116.49 0.30 1 317 67 67 THR H H 8.75 0.02 1 318 67 67 THR HA H 5.15 0.05 1 319 67 67 THR C C 169.01 0.50 1 320 67 67 THR CA C 59.20 0.50 1 321 67 67 THR N N 121.97 0.30 1 322 68 68 CYS H H 9.66 0.02 1 323 68 68 CYS HA H 4.77 0.05 1 324 68 68 CYS C C 170.78 0.50 1 325 68 68 CYS CA C 53.50 0.50 1 326 68 68 CYS N N 127.91 0.30 1 327 69 69 THR H H 8.9 0.02 1 328 69 69 THR HA H 5.58 0.05 1 329 69 69 THR C C 173.97 0.50 1 330 69 69 THR CA C 59.11 0.50 1 331 69 69 THR N N 126.92 0.30 1 332 70 70 GLY H H 9.31 0.02 1 333 70 70 GLY HA2 H 4.45 0.05 1 334 70 70 GLY HA3 H 3.97 0.05 1 335 70 70 GLY C C 171.9 0.50 1 336 70 70 GLY CA C 45.89 0.50 1 337 70 70 GLY N N 121.04 0.30 1 338 71 71 SER H H 7.28 0.02 1 339 71 71 SER HA H 5.45 0.05 1 340 71 71 SER C C 168.17 0.50 1 341 71 71 SER CA C 54.73 0.50 1 342 71 71 SER N N 110.63 0.30 1 343 72 72 GLN H H 8.71 0.02 1 344 72 72 GLN HA H 5.52 0.05 1 345 72 72 GLN C C 171.25 0.50 1 346 72 72 GLN CA C 51.13 0.50 1 347 72 72 GLN N N 122.87 0.30 1 348 73 73 TYR H H 9.07 0.02 1 349 73 73 TYR HA H 5.83 0.05 1 350 73 73 TYR C C 173.81 0.50 1 351 73 73 TYR CA C 49.14 0.50 1 352 73 73 TYR N N 123.95 0.30 1 353 74 74 ASN H H 8.58 0.02 1 354 74 74 ASN HA H 5.68 0.05 1 355 74 74 ASN C C 172.33 0.50 1 356 74 74 ASN CA C 49.45 0.50 1 357 74 74 ASN N N 122.28 0.30 1 358 75 75 GLY H H 8.02 0.02 1 359 75 75 GLY HA2 H 4.50 0.05 1 360 75 75 GLY HA3 H 3.90 0.05 1 361 75 75 GLY C C 172.18 0.50 1 362 75 75 GLY CA C 46.00 0.50 1 363 75 75 GLY N N 115.41 0.02 1 364 76 76 ILE H H 7.90 0.02 1 365 76 76 ILE HA H 5.41 0.05 1 366 76 76 ILE C C 170.27 0.50 1 367 76 76 ILE CA C 54.47 0.50 1 368 76 76 ILE N N 111.40 0.30 1 369 77 77 TYR H H 8.58 0.02 1 370 77 77 TYR HA H 5.65 0.05 1 371 77 77 TYR C C 171.26 0.50 1 372 77 77 TYR CA C 52.37 0.50 1 373 77 77 TYR N N 123.16 0.30 1 374 78 78 ILE H H 9.01 0.02 1 375 78 78 ILE HA H 5.43 0.05 1 376 78 78 ILE C C 168.87 0.50 1 377 78 78 ILE CA C 55.09 0.50 1 378 78 78 ILE N N 125.9 0.30 1 379 79 79 ARG H H 8.35 0.02 1 380 79 79 ARG HA H 6.10 0.05 1 381 79 79 ARG C C 175.27 0.50 1 382 79 79 ARG CA C 50.16 0.50 1 383 79 79 ARG N N 122.74 0.30 1 384 80 80 SER H H 8.35 0.02 1 385 80 80 SER HA H 4.70 0.05 1 386 80 80 SER C C 171.41 0.50 1 387 80 80 SER CA C 56.7 0.50 1 388 80 80 SER N N 120.84 0.30 1 389 81 81 SER H H 7.40 0.02 1 390 81 81 SER HA H 5.60 0.05 1 391 81 81 SER C C 169.11 0.50 1 392 81 81 SER CA C 55.81 0.50 1 393 81 81 SER N N 112.20 0.30 1 394 82 82 THR H H 8.87 0.02 1 395 82 82 THR HA H 5.54 0.05 1 396 82 82 THR C C 171.77 0.50 1 397 82 82 THR CA C 59.01 0.50 1 398 82 82 THR N N 118.53 0.30 1 399 83 83 THR H H 9.17 0.02 1 400 83 83 THR HA H 5.90 0.05 1 401 83 83 THR C C 170.77 0.50 1 402 83 83 THR CA C 54.99 0.50 1 403 83 83 THR N N 113.87 0.30 1 404 84 84 THR H H 9.13 0.02 1 405 84 84 THR HA H 5.74 0.05 1 406 84 84 THR C C 174.79 0.50 1 407 84 84 THR CA C 57.89 0.50 1 408 84 84 THR N N 121.36 0.30 1 409 85 85 GLY H H 8.52 0.02 1 410 85 85 GLY HA2 H 4.35 0.05 1 411 85 85 GLY HA3 H 3.92 0.05 1 412 85 85 GLY C C 171.69 0.50 1 413 85 85 GLY CA C 46.71 0.50 1 414 85 85 GLY N N 120.59 0.30 1 415 86 86 THR H H 8.08 0.02 1 416 86 86 THR HA H 5.10 0.05 1 417 86 86 THR C C 168.71 0.50 1 418 86 86 THR CA C 59.77 0.50 1 419 86 86 THR N N 113.48 0.30 1 420 87 87 SER H H 9.44 0.02 1 421 87 87 SER HA H 5.44 0.05 1 422 87 87 SER C C 171.59 0.50 1 423 87 87 SER CA C 53.50 0.50 1 424 87 87 SER N N 122.58 0.30 1 425 88 88 ILE H H 9.57 0.02 1 426 88 88 ILE HA H 5.26 0.05 1 427 88 88 ILE C C 172.92 0.50 1 428 88 88 ILE CA C 58.24 0.50 1 429 88 88 ILE N N 127.12 0.30 1 430 89 89 SER H H 8.99 0.02 1 431 89 89 SER HA H 5.78 0.05 1 432 89 89 SER C C 171.59 0.50 1 433 89 89 SER CA C 54.30 0.50 1 434 89 89 SER N N 122.15 0.30 1 435 90 90 GLY H H 8.65 0.02 1 436 90 90 GLY HA2 H 3.93 0.05 1 437 90 90 GLY HA3 H 4.45 0.05 1 438 90 90 GLY CA C 40.87 0.50 1 439 90 90 GLY N N 111.82 0.30 1 440 91 91 PRO C C 181.40 0.50 1 441 92 92 GLY H H 9.18 0.02 1 442 92 92 GLY HA2 H 3.85 0.05 1 443 92 92 GLY HA3 H 3.85 0.05 1 444 92 92 GLY C C 171.39 0.50 1 445 92 92 GLY CA C 43.60 0.50 1 446 92 92 GLY N N 108.66 0.30 1 447 93 93 CYS H H 7.00 0.02 1 448 93 93 CYS HA H 5.25 0.05 1 449 93 93 CYS C C 171.59 0.50 1 450 93 93 CYS CA C 51.91 0.50 1 451 93 93 CYS N N 117.17 0.30 1 452 94 94 SER H H 9.57 0.02 1 453 94 94 SER HA H 5.74 0.05 1 454 94 94 SER C C 170.22 0.50 1 455 94 94 SER CA C 53.99 0.50 1 456 94 94 SER N N 127.14 0.30 1 457 95 95 ILE H H 8.95 0.02 1 458 95 95 ILE HA H 5.08 0.05 1 459 95 95 ILE C C 172.69 0.50 1 460 95 95 ILE CA C 57.6 0.50 1 461 95 95 ILE N N 125.88 0.30 1 462 96 96 SER H H 9.07 0.02 1 463 96 96 SER HA H 5.32 0.05 1 464 96 96 SER C C 169.43 0.50 1 465 96 96 SER CA C 53.01 0.50 1 466 96 96 SER N N 121.72 0.30 1 467 97 97 THR H H 7.81 0.02 1 468 97 97 THR HA H 4.11 0.05 1 469 97 97 THR C C 171.06 0.50 1 470 97 97 THR CA C 59.12 0.50 1 471 97 97 THR N N 117.03 0.30 1 472 98 98 CYS H H 8.21 0.02 1 473 98 98 CYS HA H 5.38 0.05 1 474 98 98 CYS C C 171.55 0.50 1 475 98 98 CYS CA C 52.3 0.50 1 476 98 98 CYS N N 116.04 0.30 1 477 99 99 THR H H 9.71 0.02 1 478 99 99 THR HA H 5.03 0.05 1 479 99 99 THR C C 171.02 0.50 1 480 99 99 THR CA C 59.9 0.50 1 481 99 99 THR N N 120.28 0.30 1 482 100 100 ILE H H 9.05 0.02 1 483 100 100 ILE HA H 4.77 0.05 1 484 100 100 ILE C C 171.81 0.50 1 485 100 100 ILE CA C 57.8 0.50 1 486 100 100 ILE N N 125.62 0.30 1 487 101 101 THR H H 8.61 0.02 1 488 101 101 THR HA H 4.83 0.05 1 489 101 101 THR C C 171.79 0.50 1 490 101 101 THR CA C 58.53 0.50 1 491 101 101 THR N N 124.49 0.30 1 492 102 102 ARG H H 9.19 0.02 1 493 102 102 ARG HA H 4.30 0.05 1 494 102 102 ARG C C 172.7 0.50 1 495 102 102 ARG CA C 54.16 0.50 1 496 102 102 ARG N N 127.03 0.30 1 497 103 103 GLY H H 8.29 0.02 1 498 103 103 GLY C C 169.11 0.50 1 499 103 103 GLY CA C 41.78 0.50 1 500 103 103 GLY N N 100.55 0.30 1 501 104 104 VAL H H 7.59 0.02 1 502 104 104 VAL HA H 4.15 0.05 1 503 104 104 VAL C C 173.29 0.50 1 504 104 104 VAL CA C 59.12 0.50 1 505 104 104 VAL N N 119.54 0.30 1 506 105 105 ALA H H 9.36 0.02 1 507 105 105 ALA HA H 4.93 0.05 1 508 105 105 ALA C C 174.65 0.50 1 509 105 105 ALA CA C 48.13 0.50 1 510 105 105 ALA N N 134.29 0.30 1 511 106 106 THR H H 9.14 0.02 1 512 106 106 THR HA H 4.43 0.05 1 513 106 106 THR CA C 59.13 0.50 1 514 106 106 THR N N 124.24 0.50 1 515 107 107 PRO C C 173.50 0.50 1 516 107 107 PRO CA C 61.03 0.50 1 517 108 108 ALA H H 8.16 0.02 1 518 108 108 ALA HA H 4.41 0.05 1 519 108 108 ALA C C 174.77 0.50 1 520 108 108 ALA CA C 49.71 0.50 1 521 108 108 ALA N N 127.41 0.30 1 522 109 109 ALA H H 9.00 0.02 1 523 109 109 ALA HA H 4.1 0.05 1 524 109 109 ALA C C 176.61 0.50 1 525 109 109 ALA CA C 52.37 0.50 1 526 109 109 ALA N N 127.74 0.30 1 527 110 110 ALA H H 8.44 0.02 1 528 110 110 ALA HA H 4.17 0.05 1 529 110 110 ALA C C 174.41 0.50 1 530 110 110 ALA CA C 50.09 0.50 1 531 110 110 ALA N N 115.40 0.30 1 532 111 111 CYS H H 7.21 0.02 1 533 111 111 CYS HA H 5.00 0.05 1 534 111 111 CYS C C 172.03 0.50 1 535 111 111 CYS CA C 53.22 0.50 1 536 111 111 CYS N N 114.40 0.30 1 537 112 112 LYS H H 9.02 0.02 1 538 112 112 LYS HA H 4.79 0.05 1 539 112 112 LYS C C 172.06 0.50 1 540 112 112 LYS CA C 51.52 0.50 1 541 112 112 LYS N N 132.60 0.30 1 542 113 113 ILE H H 8.62 0.02 1 543 113 113 ILE HA H 4.79 0.05 1 544 113 113 ILE C C 172.92 0.50 1 545 113 113 ILE CA C 58.38 0.50 1 546 113 113 ILE N N 126.18 0.30 1 547 114 114 SER H H 9.00 0.02 1 548 114 114 SER HA H 4.83 0.05 1 549 114 114 SER C C 170.86 0.50 1 550 114 114 SER CA C 54.30 0.50 1 551 114 114 SER N N 121.7 0.30 1 552 115 115 GLY H H 9.08 0.02 1 553 115 115 GLY HA2 H 4.25 0.05 1 554 115 115 GLY HA3 H 4.25 0.05 1 555 115 115 GLY C C 172.27 0.50 1 556 115 115 GLY CA C 43.72 0.50 1 557 115 115 GLY N N 114.59 0.30 1 558 116 116 CYS H H 8.14 0.02 1 559 116 116 CYS HA H 5.23 0.05 1 560 116 116 CYS C C 171.62 0.50 1 561 116 116 CYS CA C 52.38 0.50 1 562 116 116 CYS N N 115.67 0.30 1 563 117 117 SER H H 8.95 0.02 1 564 117 117 SER HA H 4.81 0.05 1 565 117 117 SER C C 171.06 0.50 1 566 117 117 SER CA C 54.66 0.50 1 567 117 117 SER N N 118.28 0.30 1 568 118 118 LEU H H 9.16 0.02 1 569 118 118 LEU HA H 5.39 0.05 1 570 118 118 LEU C C 174.05 0.50 1 571 118 118 LEU CA C 51.56 0.50 1 572 118 118 LEU N N 127.75 0.30 1 573 119 119 SER H H 8.9 0.02 1 574 119 119 SER HA H 4.77 0.05 1 575 119 119 SER C C 170.51 0.50 1 576 119 119 SER CA C 54.76 0.50 1 577 119 119 SER N N 113.3 0.30 1 578 120 120 ALA H H 9.12 0.02 1 579 120 120 ALA HA H 4.32 0.05 1 580 120 120 ALA C C 174.46 0.50 1 581 120 120 ALA CA C 49.95 0.50 1 582 120 120 ALA N N 126.25 0.30 1 583 121 121 MET H H 7.80 0.02 1 584 121 121 MET HA H 4.23 0.05 1 585 121 121 MET CA C 54.36 0.50 1 586 121 121 MET N N 125.99 0.30 1 stop_ save_