data_25401 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N 13C Chemical shift assignments for CCL28 ; _BMRB_accession_number 25401 _BMRB_flat_file_name bmr25401.str _Entry_type original _Submission_date 2014-12-19 _Accession_date 2014-12-19 _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 Thomas Monica . . 2 Peterson Francis . . 3 Volkman Brian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 434 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-20 original author . stop_ _Original_release_date 2015-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure-function analysis of CCL28 in post viral asthma' _Citation_status submitted _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 Thomas Monica A. . 2 Buelow Becky J. . 3 Nevins Amanda M. . 4 Jones Stephanie E. . 5 Peterson Francis C. . 6 Gundry Rebekah L. . 7 Grayson Mitchell H. . 8 Volkman Brian F. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword NMR CCL28 Asthma stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CCL28 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CCL28 $CCL28 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CCL28 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CCL28 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; SEAILPIASSCCTEVSHHIS RRLLERVNMCRIQRADGDCD LAAVILHVKRRRICVSPHNH TVKQWMKVQAAKKNGKGNVC HRKKHHGKRNSNRAHQGKHE TYGHKTPY ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 ALA 4 ILE 5 LEU 6 PRO 7 ILE 8 ALA 9 SER 10 SER 11 CYS 12 CYS 13 THR 14 GLU 15 VAL 16 SER 17 HIS 18 HIS 19 ILE 20 SER 21 ARG 22 ARG 23 LEU 24 LEU 25 GLU 26 ARG 27 VAL 28 ASN 29 MET 30 CYS 31 ARG 32 ILE 33 GLN 34 ARG 35 ALA 36 ASP 37 GLY 38 ASP 39 CYS 40 ASP 41 LEU 42 ALA 43 ALA 44 VAL 45 ILE 46 LEU 47 HIS 48 VAL 49 LYS 50 ARG 51 ARG 52 ARG 53 ILE 54 CYS 55 VAL 56 SER 57 PRO 58 HIS 59 ASN 60 HIS 61 THR 62 VAL 63 LYS 64 GLN 65 TRP 66 MET 67 LYS 68 VAL 69 GLN 70 ALA 71 ALA 72 LYS 73 LYS 74 ASN 75 GLY 76 LYS 77 GLY 78 ASN 79 VAL 80 CYS 81 HIS 82 ARG 83 LYS 84 LYS 85 HIS 86 HIS 87 GLY 88 LYS 89 ARG 90 ASN 91 SER 92 ASN 93 ARG 94 ALA 95 HIS 96 GLN 97 GLY 98 LYS 99 HIS 100 GLU 101 THR 102 TYR 103 GLY 104 HIS 105 LYS 106 THR 107 PRO 108 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAG35056 "unnamed protein product [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 DBJ BAJ20648 "chemokine (C-C motif) ligand 28 [synthetic construct]" 100.00 127 100.00 100.00 2.34e-72 GB AAF87205 "CC chemokine CCL28 [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 GB AAG16691 "mucosae-associated epithelial chemokine [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 GB AAG43193 "CCK1 protein [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 GB AAH62668 "Chemokine (C-C motif) ligand 28 [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 GB AAH69532 "CCL28 protein [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 REF NP_001288802 "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 REF NP_001288803 "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 REF NP_001288804 "C-C motif chemokine 28 isoform b [Homo sapiens]" 74.07 80 100.00 100.00 1.15e-50 REF NP_683513 "C-C motif chemokine 28 isoform a precursor [Homo sapiens]" 100.00 127 100.00 100.00 2.34e-72 REF XP_001135733 "PREDICTED: C-C motif chemokine 28 isoform X1 [Pan troglodytes]" 100.00 127 100.00 100.00 2.34e-72 SP Q9NRJ3 "RecName: Full=C-C motif chemokine 28; AltName: Full=Mucosae-associated epithelial chemokine; Short=MEC; AltName: Full=Protein C" 100.00 127 100.00 100.00 2.34e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CCL28 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 $CCL28 'recombinant technology' . Escherichia coli BL21(DE3) pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL28 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.2 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CCL28 _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 SER C C 179.311 0.1 . 2 2 2 GLU H H 7.767 0.02 . 3 2 2 GLU HA H 4.295 0.02 . 4 2 2 GLU HB2 H 2.037 0.02 . 5 2 2 GLU HB3 H 1.878 0.02 . 6 2 2 GLU HG2 H 2.234 0.02 . 7 2 2 GLU HG3 H 2.234 0.02 . 8 2 2 GLU C C 175.896 0.1 . 9 2 2 GLU CA C 56.552 0.1 . 10 2 2 GLU CB C 30.861 0.1 . 11 2 2 GLU CG C 36.413 0.1 . 12 2 2 GLU N N 120.156 0.1 . 13 3 3 ALA H H 8.369 0.02 . 14 3 3 ALA HA H 4.264 0.02 . 15 3 3 ALA HB H 1.279 0.02 . 16 3 3 ALA C C 177.121 0.1 . 17 3 3 ALA CA C 52.544 0.1 . 18 3 3 ALA CB C 19.500 0.1 . 19 3 3 ALA N N 125.971 0.1 . 20 4 4 ILE H H 8.161 0.02 . 21 4 4 ILE HA H 4.168 0.02 . 22 4 4 ILE HB H 1.780 0.02 . 23 4 4 ILE HG12 H 1.416 0.02 . 24 4 4 ILE HG13 H 1.126 0.02 . 25 4 4 ILE HG2 H 0.814 0.02 . 26 4 4 ILE HD1 H 0.782 0.02 . 27 4 4 ILE C C 176.111 0.1 . 28 4 4 ILE CA C 60.986 0.1 . 29 4 4 ILE CB C 39.277 0.1 . 30 4 4 ILE CG1 C 27.711 0.1 . 31 4 4 ILE CG2 C 17.796 0.1 . 32 4 4 ILE CD1 C 12.939 0.1 . 33 4 4 ILE N N 121.000 0.1 . 34 5 5 LEU H H 8.274 0.02 . 35 5 5 LEU C C 175.112 0.1 . 36 5 5 LEU N N 128.377 0.1 . 37 6 6 PRO HA H 4.393 0.02 . 38 6 6 PRO HB2 H 2.221 0.02 . 39 6 6 PRO HB3 H 1.840 0.02 . 40 6 6 PRO HG2 H 1.966 0.02 . 41 6 6 PRO HG3 H 1.966 0.02 . 42 6 6 PRO HD2 H 3.859 0.02 . 43 6 6 PRO HD3 H 3.598 0.02 . 44 6 6 PRO C C 177.103 0.1 . 45 6 6 PRO CA C 63.086 0.1 . 46 6 6 PRO CB C 32.161 0.1 . 47 6 6 PRO CG C 27.631 0.1 . 48 6 6 PRO CD C 50.931 0.1 . 49 7 7 ILE H H 8.077 0.02 . 50 7 7 ILE HA H 4.035 0.02 . 51 7 7 ILE HB H 1.774 0.02 . 52 7 7 ILE HG12 H 1.424 0.02 . 53 7 7 ILE HG13 H 1.128 0.02 . 54 7 7 ILE HG2 H 0.844 0.02 . 55 7 7 ILE HD1 H 0.785 0.02 . 56 7 7 ILE C C 176.448 0.1 . 57 7 7 ILE CA C 61.620 0.1 . 58 7 7 ILE CB C 38.928 0.1 . 59 7 7 ILE CG1 C 27.948 0.1 . 60 7 7 ILE CG2 C 17.607 0.1 . 61 7 7 ILE CD1 C 13.502 0.1 . 62 7 7 ILE N N 121.013 0.1 . 63 8 8 ALA H H 8.323 0.02 . 64 8 8 ALA HA H 4.279 0.02 . 65 8 8 ALA HB H 1.347 0.02 . 66 8 8 ALA C C 177.792 0.1 . 67 8 8 ALA CA C 52.973 0.1 . 68 8 8 ALA CB C 19.500 0.1 . 69 8 8 ALA N N 127.259 0.1 . 70 9 9 SER H H 8.202 0.02 . 71 9 9 SER HA H 4.400 0.02 . 72 9 9 SER HB2 H 3.768 0.02 . 73 9 9 SER HB3 H 3.768 0.02 . 74 9 9 SER C C 174.598 0.1 . 75 9 9 SER CA C 58.427 0.1 . 76 9 9 SER CB C 64.426 0.1 . 77 9 9 SER N N 114.681 0.1 . 78 10 10 SER H H 8.183 0.02 . 79 10 10 SER HA H 4.439 0.02 . 80 10 10 SER HB2 H 3.834 0.02 . 81 10 10 SER HB3 H 3.834 0.02 . 82 10 10 SER C C 174.951 0.1 . 83 10 10 SER CA C 58.500 0.1 . 84 10 10 SER CB C 64.435 0.1 . 85 10 10 SER N N 117.843 0.1 . 86 11 11 CYS H H 8.369 0.02 . 87 11 11 CYS HA H 4.484 0.02 . 88 11 11 CYS HB2 H 2.918 0.02 . 89 11 11 CYS HB3 H 2.655 0.02 . 90 11 11 CYS C C 176.354 0.1 . 91 11 11 CYS CA C 55.463 0.1 . 92 11 11 CYS CB C 40.573 0.1 . 93 11 11 CYS N N 119.667 0.1 . 94 12 12 CYS H H 10.180 0.02 . 95 12 12 CYS HA H 4.627 0.02 . 96 12 12 CYS HB2 H 2.706 0.02 . 97 12 12 CYS HB3 H 2.836 0.02 . 98 12 12 CYS C C 176.262 0.1 . 99 12 12 CYS CA C 57.644 0.1 . 100 12 12 CYS CB C 42.226 0.1 . 101 12 12 CYS N N 123.195 0.1 . 102 13 13 THR H H 9.080 0.02 . 103 13 13 THR HA H 4.270 0.02 . 104 13 13 THR HB H 4.394 0.02 . 105 13 13 THR HG2 H 1.092 0.02 . 106 13 13 THR C C 173.182 0.1 . 107 13 13 THR CA C 62.340 0.1 . 108 13 13 THR CB C 69.394 0.1 . 109 13 13 THR CG2 C 21.815 0.1 . 110 13 13 THR N N 116.471 0.1 . 111 14 14 GLU H H 7.607 0.02 . 112 14 14 GLU HA H 4.463 0.02 . 113 14 14 GLU HB2 H 1.999 0.02 . 114 14 14 GLU HB3 H 1.885 0.02 . 115 14 14 GLU HG2 H 2.117 0.02 . 116 14 14 GLU HG3 H 2.117 0.02 . 117 14 14 GLU C C 174.349 0.1 . 118 14 14 GLU CA C 55.141 0.1 . 119 14 14 GLU CB C 32.122 0.1 . 120 14 14 GLU CG C 35.705 0.1 . 121 14 14 GLU N N 121.584 0.1 . 122 15 15 VAL H H 8.260 0.02 . 123 15 15 VAL HA H 4.323 0.02 . 124 15 15 VAL HB H 1.766 0.02 . 125 15 15 VAL HG1 H 0.655 0.02 . 126 15 15 VAL HG2 H 0.672 0.02 . 127 15 15 VAL C C 175.428 0.1 . 128 15 15 VAL CA C 59.765 0.1 . 129 15 15 VAL CB C 35.196 0.1 . 130 15 15 VAL CG1 C 19.410 0.1 . 131 15 15 VAL CG2 C 22.652 0.1 . 132 15 15 VAL N N 114.642 0.1 . 133 16 16 SER H H 8.612 0.02 . 134 16 16 SER HA H 4.565 0.02 . 135 16 16 SER HB2 H 3.777 0.02 . 136 16 16 SER HB3 H 3.777 0.02 . 137 16 16 SER C C 176.602 0.1 . 138 16 16 SER CA C 57.721 0.1 . 139 16 16 SER CB C 64.701 0.1 . 140 16 16 SER N N 117.819 0.1 . 141 17 17 HIS H H 8.118 0.02 . 142 17 17 HIS C C 174.764 0.1 . 143 17 17 HIS N N 117.587 0.1 . 144 18 18 HIS H H 7.889 0.02 . 145 18 18 HIS HA H 4.766 0.02 . 146 18 18 HIS HB2 H 2.991 0.02 . 147 18 18 HIS HB3 H 2.925 0.02 . 148 18 18 HIS HD2 H 7.007 0.02 . 149 18 18 HIS C C 173.351 0.1 . 150 18 18 HIS CA C 55.649 0.1 . 151 18 18 HIS CB C 32.803 0.1 . 152 18 18 HIS CD2 C 119.882 0.1 . 153 18 18 HIS N N 118.529 0.1 . 154 19 19 ILE H H 7.934 0.02 . 155 19 19 ILE HA H 4.298 0.02 . 156 19 19 ILE HB H 1.580 0.02 . 157 19 19 ILE HG12 H 1.254 0.02 . 158 19 19 ILE HG13 H 0.998 0.02 . 159 19 19 ILE HG2 H 0.551 0.02 . 160 19 19 ILE HD1 H 0.552 0.02 . 161 19 19 ILE C C 172.735 0.1 . 162 19 19 ILE CA C 59.184 0.1 . 163 19 19 ILE CB C 40.897 0.1 . 164 19 19 ILE CG1 C 27.954 0.1 . 165 19 19 ILE CG2 C 17.188 0.1 . 166 19 19 ILE CD1 C 14.254 0.1 . 167 19 19 ILE N N 120.550 0.1 . 168 20 20 SER H H 7.722 0.02 . 169 20 20 SER HA H 4.562 0.02 . 170 20 20 SER HB2 H 3.786 0.02 . 171 20 20 SER HB3 H 4.109 0.02 . 172 20 20 SER C C 175.297 0.1 . 173 20 20 SER CA C 56.735 0.1 . 174 20 20 SER CB C 65.174 0.1 . 175 20 20 SER N N 119.267 0.1 . 176 21 21 ARG H H 8.939 0.02 . 177 21 21 ARG HA H 3.749 0.02 . 178 21 21 ARG HB2 H 1.847 0.02 . 179 21 21 ARG HB3 H 1.847 0.02 . 180 21 21 ARG HG2 H 1.662 0.02 . 181 21 21 ARG HG3 H 1.662 0.02 . 182 21 21 ARG HD2 H 3.229 0.02 . 183 21 21 ARG HD3 H 3.229 0.02 . 184 21 21 ARG C C 178.308 0.1 . 185 21 21 ARG CA C 59.487 0.1 . 186 21 21 ARG CB C 29.566 0.1 . 187 21 21 ARG CG C 27.914 0.1 . 188 21 21 ARG CD C 43.496 0.1 . 189 21 21 ARG N N 124.751 0.1 . 190 22 22 ARG H H 8.020 0.02 . 191 22 22 ARG HA H 3.963 0.02 . 192 22 22 ARG HB2 H 1.715 0.02 . 193 22 22 ARG HB3 H 1.715 0.02 . 194 22 22 ARG HG2 H 1.580 0.02 . 195 22 22 ARG HG3 H 1.580 0.02 . 196 22 22 ARG HD2 H 3.135 0.02 . 197 22 22 ARG HD3 H 3.135 0.02 . 198 22 22 ARG C C 178.544 0.1 . 199 22 22 ARG CA C 58.729 0.1 . 200 22 22 ARG CB C 29.766 0.1 . 201 22 22 ARG CG C 26.653 0.1 . 202 22 22 ARG CD C 43.293 0.1 . 203 22 22 ARG N N 117.146 0.1 . 204 23 23 LEU H H 7.216 0.02 . 205 23 23 LEU HA H 3.933 0.02 . 206 23 23 LEU HB2 H 1.515 0.02 . 207 23 23 LEU HB3 H 1.515 0.02 . 208 23 23 LEU HG H 1.415 0.02 . 209 23 23 LEU HD1 H 0.785 0.02 . 210 23 23 LEU HD2 H 0.705 0.02 . 211 23 23 LEU C C 178.990 0.1 . 212 23 23 LEU CA C 57.644 0.1 . 213 23 23 LEU CB C 42.111 0.1 . 214 23 23 LEU CG C 27.300 0.1 . 215 23 23 LEU CD1 C 24.387 0.1 . 216 23 23 LEU CD2 C 24.777 0.1 . 217 23 23 LEU N N 119.831 0.1 . 218 24 24 LEU H H 7.061 0.02 . 219 24 24 LEU HA H 3.431 0.02 . 220 24 24 LEU HB2 H 1.343 0.02 . 221 24 24 LEU HB3 H 0.187 0.02 . 222 24 24 LEU HG H 1.152 0.02 . 223 24 24 LEU HD1 H 0.258 0.02 . 224 24 24 LEU HD2 H -0.265 0.02 . 225 24 24 LEU C C 178.790 0.1 . 226 24 24 LEU CA C 56.963 0.1 . 227 24 24 LEU CB C 40.035 0.1 . 228 24 24 LEU CG C 25.991 0.1 . 229 24 24 LEU CD1 C 25.991 0.1 . 230 24 24 LEU CD2 C 22.957 0.1 . 231 24 24 LEU N N 116.339 0.1 . 232 25 25 GLU H H 7.395 0.02 . 233 25 25 GLU HA H 4.158 0.02 . 234 25 25 GLU HB2 H 2.121 0.02 . 235 25 25 GLU HB3 H 2.056 0.02 . 236 25 25 GLU HG2 H 2.454 0.02 . 237 25 25 GLU HG3 H 2.349 0.02 . 238 25 25 GLU C C 177.509 0.1 . 239 25 25 GLU CA C 58.300 0.1 . 240 25 25 GLU CB C 30.289 0.1 . 241 25 25 GLU CG C 36.818 0.1 . 242 25 25 GLU N N 115.368 0.1 . 243 26 26 ARG H H 7.598 0.02 . 244 26 26 ARG HA H 4.466 0.02 . 245 26 26 ARG HB2 H 1.764 0.02 . 246 26 26 ARG HB3 H 2.075 0.02 . 247 26 26 ARG HG2 H 1.623 0.02 . 248 26 26 ARG HG3 H 1.705 0.02 . 249 26 26 ARG HD2 H 3.115 0.02 . 250 26 26 ARG HD3 H 3.115 0.02 . 251 26 26 ARG C C 175.624 0.1 . 252 26 26 ARG CA C 54.815 0.1 . 253 26 26 ARG CB C 31.344 0.1 . 254 26 26 ARG CG C 27.509 0.1 . 255 26 26 ARG CD C 43.799 0.1 . 256 26 26 ARG N N 116.260 0.1 . 257 27 27 VAL H H 7.123 0.02 . 258 27 27 VAL HA H 3.933 0.02 . 259 27 27 VAL HB H 2.145 0.02 . 260 27 27 VAL HG1 H 1.005 0.02 . 261 27 27 VAL HG2 H 0.788 0.02 . 262 27 27 VAL C C 176.654 0.1 . 263 27 27 VAL CA C 63.779 0.1 . 264 27 27 VAL CB C 33.016 0.1 . 265 27 27 VAL CG1 C 22.806 0.1 . 266 27 27 VAL CG2 C 24.777 0.1 . 267 27 27 VAL N N 120.886 0.1 . 268 28 28 ASN H H 9.044 0.02 . 269 28 28 ASN HA H 4.998 0.02 . 270 28 28 ASN HB2 H 2.829 0.02 . 271 28 28 ASN HB3 H 2.829 0.02 . 272 28 28 ASN HD21 H 7.687 0.02 . 273 28 28 ASN HD22 H 6.966 0.02 . 274 28 28 ASN C C 174.623 0.1 . 275 28 28 ASN CA C 54.311 0.1 . 276 28 28 ASN CB C 40.932 0.1 . 277 28 28 ASN N N 123.647 0.1 . 278 28 28 ASN ND2 N 112.223 0.1 . 279 29 29 MET H H 7.591 0.02 . 280 29 29 MET HA H 4.611 0.02 . 281 29 29 MET HB2 H 1.827 0.02 . 282 29 29 MET HB3 H 2.091 0.02 . 283 29 29 MET HG2 H 2.361 0.02 . 284 29 29 MET HG3 H 2.361 0.02 . 285 29 29 MET C C 177.393 0.1 . 286 29 29 MET CA C 56.110 0.1 . 287 29 29 MET CB C 35.717 0.1 . 288 29 29 MET CG C 31.832 0.1 . 289 29 29 MET N N 117.862 0.1 . 290 30 30 CYS H H 9.010 0.02 . 291 30 30 CYS HA H 5.754 0.02 . 292 30 30 CYS HB2 H 3.212 0.02 . 293 30 30 CYS HB3 H 3.309 0.02 . 294 30 30 CYS C C 173.833 0.1 . 295 30 30 CYS CA C 54.491 0.1 . 296 30 30 CYS CB C 49.309 0.1 . 297 30 30 CYS N N 122.725 0.1 . 298 31 31 ARG H H 9.452 0.02 . 299 31 31 ARG HA H 5.304 0.02 . 300 31 31 ARG HB2 H 1.794 0.02 . 301 31 31 ARG HB3 H 1.794 0.02 . 302 31 31 ARG HG2 H 1.592 0.02 . 303 31 31 ARG HG3 H 1.500 0.02 . 304 31 31 ARG HD2 H 3.242 0.02 . 305 31 31 ARG HD3 H 3.158 0.02 . 306 31 31 ARG C C 173.790 0.1 . 307 31 31 ARG CA C 54.526 0.1 . 308 31 31 ARG CB C 35.278 0.1 . 309 31 31 ARG CG C 28.272 0.1 . 310 31 31 ARG CD C 43.809 0.1 . 311 31 31 ARG N N 125.037 0.1 . 312 32 32 ILE H H 8.492 0.02 . 313 32 32 ILE HA H 4.440 0.02 . 314 32 32 ILE HB H 1.785 0.02 . 315 32 32 ILE HG12 H 1.342 0.02 . 316 32 32 ILE HG13 H 1.143 0.02 . 317 32 32 ILE HG2 H 0.790 0.02 . 318 32 32 ILE HD1 H 0.737 0.02 . 319 32 32 ILE C C 175.054 0.1 . 320 32 32 ILE CA C 60.057 0.1 . 321 32 32 ILE CB C 38.928 0.1 . 322 32 32 ILE CG1 C 27.893 0.1 . 323 32 32 ILE CG2 C 17.266 0.1 . 324 32 32 ILE CD1 C 12.100 0.1 . 325 32 32 ILE N N 121.612 0.1 . 326 33 33 GLN H H 9.153 0.02 . 327 33 33 GLN HA H 4.677 0.02 . 328 33 33 GLN HB2 H 2.030 0.02 . 329 33 33 GLN HB3 H 2.030 0.02 . 330 33 33 GLN HG2 H 2.387 0.02 . 331 33 33 GLN HG3 H 2.246 0.02 . 332 33 33 GLN HE21 H 8.687 0.02 . 333 33 33 GLN HE22 H 7.234 0.02 . 334 33 33 GLN C C 174.661 0.1 . 335 33 33 GLN CA C 54.688 0.1 . 336 33 33 GLN CB C 32.156 0.1 . 337 33 33 GLN CG C 34.895 0.1 . 338 33 33 GLN N N 130.621 0.1 . 339 33 33 GLN NE2 N 114.261 0.1 . 340 34 34 ARG H H 8.680 0.02 . 341 34 34 ARG HA H 4.456 0.02 . 342 34 34 ARG HB2 H 1.794 0.02 . 343 34 34 ARG HB3 H 1.758 0.02 . 344 34 34 ARG HG2 H 1.606 0.02 . 345 34 34 ARG HG3 H 1.488 0.02 . 346 34 34 ARG HD2 H 3.113 0.02 . 347 34 34 ARG HD3 H 3.113 0.02 . 348 34 34 ARG C C 175.390 0.1 . 349 34 34 ARG CA C 55.463 0.1 . 350 34 34 ARG CB C 33.127 0.1 . 351 34 34 ARG CG C 26.977 0.1 . 352 34 34 ARG CD C 43.630 0.1 . 353 34 34 ARG N N 126.813 0.1 . 354 35 35 ALA H H 8.356 0.02 . 355 35 35 ALA HA H 4.323 0.02 . 356 35 35 ALA HB H 1.165 0.02 . 357 35 35 ALA C C 176.654 0.1 . 358 35 35 ALA CA C 51.710 0.1 . 359 35 35 ALA CB C 17.756 0.1 . 360 35 35 ALA N N 123.200 0.1 . 361 36 36 ASP H H 8.291 0.02 . 362 36 36 ASP HA H 4.599 0.02 . 363 36 36 ASP HB2 H 2.491 0.02 . 364 36 36 ASP HB3 H 2.928 0.02 . 365 36 36 ASP C C 176.278 0.1 . 366 36 36 ASP CA C 53.250 0.1 . 367 36 36 ASP CB C 41.178 0.1 . 368 36 36 ASP N N 122.913 0.1 . 369 37 37 GLY H H 8.160 0.02 . 370 37 37 GLY HA2 H 3.904 0.02 . 371 37 37 GLY HA3 H 3.852 0.02 . 372 37 37 GLY C C 174.492 0.1 . 373 37 37 GLY CA C 46.075 0.1 . 374 37 37 GLY N N 108.273 0.1 . 375 38 38 ASP H H 8.453 0.02 . 376 38 38 ASP HA H 4.565 0.02 . 377 38 38 ASP HB2 H 2.642 0.02 . 378 38 38 ASP HB3 H 2.642 0.02 . 379 38 38 ASP C C 176.245 0.1 . 380 38 38 ASP CA C 56.382 0.1 . 381 38 38 ASP CB C 41.791 0.1 . 382 38 38 ASP N N 122.264 0.1 . 383 39 39 CYS H H 7.986 0.02 . 384 39 39 CYS HA H 4.955 0.02 . 385 39 39 CYS HB2 H 2.888 0.02 . 386 39 39 CYS HB3 H 3.435 0.02 . 387 39 39 CYS C C 173.942 0.1 . 388 39 39 CYS CA C 52.511 0.1 . 389 39 39 CYS CB C 39.925 0.1 . 390 39 39 CYS N N 116.122 0.1 . 391 40 40 ASP H H 8.094 0.02 . 392 40 40 ASP HA H 4.644 0.02 . 393 40 40 ASP HB2 H 2.624 0.02 . 394 40 40 ASP HB3 H 2.624 0.02 . 395 40 40 ASP C C 175.269 0.1 . 396 40 40 ASP CA C 55.197 0.1 . 397 40 40 ASP CB C 41.819 0.1 . 398 40 40 ASP N N 118.804 0.1 . 399 41 41 LEU H H 7.377 0.02 . 400 41 41 LEU HA H 4.520 0.02 . 401 41 41 LEU HB2 H 1.369 0.02 . 402 41 41 LEU HB3 H 1.369 0.02 . 403 41 41 LEU HG H 1.433 0.02 . 404 41 41 LEU HD1 H 0.757 0.02 . 405 41 41 LEU HD2 H 0.631 0.02 . 406 41 41 LEU C C 175.007 0.1 . 407 41 41 LEU CA C 53.848 0.1 . 408 41 41 LEU CB C 45.568 0.1 . 409 41 41 LEU CG C 26.660 0.1 . 410 41 41 LEU CD1 C 24.711 0.1 . 411 41 41 LEU CD2 C 25.358 0.1 . 412 41 41 LEU N N 118.659 0.1 . 413 42 42 ALA H H 8.355 0.02 . 414 42 42 ALA HA H 4.603 0.02 . 415 42 42 ALA HB H 1.361 0.02 . 416 42 42 ALA C C 176.588 0.1 . 417 42 42 ALA CA C 51.053 0.1 . 418 42 42 ALA CB C 19.665 0.1 . 419 42 42 ALA N N 126.611 0.1 . 420 43 43 ALA H H 8.811 0.02 . 421 43 43 ALA HA H 4.614 0.02 . 422 43 43 ALA HB H 1.052 0.02 . 423 43 43 ALA C C 175.025 0.1 . 424 43 43 ALA CA C 52.063 0.1 . 425 43 43 ALA CB C 23.425 0.1 . 426 43 43 ALA N N 120.342 0.1 . 427 44 44 VAL H H 9.038 0.02 . 428 44 44 VAL HA H 4.298 0.02 . 429 44 44 VAL HB H 1.787 0.02 . 430 44 44 VAL HG1 H 0.871 0.02 . 431 44 44 VAL HG2 H 0.791 0.02 . 432 44 44 VAL C C 174.081 0.1 . 433 44 44 VAL CA C 62.947 0.1 . 434 44 44 VAL CB C 32.836 0.1 . 435 44 44 VAL CG1 C 22.130 0.1 . 436 44 44 VAL CG2 C 20.822 0.1 . 437 44 44 VAL N N 122.155 0.1 . 438 45 45 ILE H H 9.386 0.02 . 439 45 45 ILE HA H 4.542 0.02 . 440 45 45 ILE HB H 1.848 0.02 . 441 45 45 ILE HG12 H 1.468 0.02 . 442 45 45 ILE HG13 H 1.060 0.02 . 443 45 45 ILE HG2 H 0.671 0.02 . 444 45 45 ILE HD1 H 0.881 0.02 . 445 45 45 ILE C C 175.222 0.1 . 446 45 45 ILE CA C 61.335 0.1 . 447 45 45 ILE CB C 38.653 0.1 . 448 45 45 ILE CG1 C 28.272 0.1 . 449 45 45 ILE CG2 C 18.894 0.1 . 450 45 45 ILE CD1 C 14.694 0.1 . 451 45 45 ILE N N 127.797 0.1 . 452 46 46 LEU H H 9.129 0.02 . 453 46 46 LEU HA H 4.905 0.02 . 454 46 46 LEU HB2 H 1.713 0.02 . 455 46 46 LEU HB3 H 1.161 0.02 . 456 46 46 LEU HG H 1.536 0.02 . 457 46 46 LEU HD1 H 0.640 0.02 . 458 46 46 LEU HD2 H 0.411 0.02 . 459 46 46 LEU C C 175.821 0.1 . 460 46 46 LEU CA C 52.872 0.1 . 461 46 46 LEU CB C 43.592 0.1 . 462 46 46 LEU CG C 26.653 0.1 . 463 46 46 LEU CD1 C 24.171 0.1 . 464 46 46 LEU CD2 C 26.977 0.1 . 465 46 46 LEU N N 126.602 0.1 . 466 47 47 HIS H H 8.552 0.02 . 467 47 47 HIS HA H 5.265 0.02 . 468 47 47 HIS HB2 H 3.063 0.02 . 469 47 47 HIS HB3 H 3.063 0.02 . 470 47 47 HIS HD2 H 6.531 0.02 . 471 47 47 HIS HE1 H 7.544 0.02 . 472 47 47 HIS C C 174.754 0.1 . 473 47 47 HIS CA C 55.750 0.1 . 474 47 47 HIS CB C 31.300 0.1 . 475 47 47 HIS CD2 C 122.729 0.1 . 476 47 47 HIS CE1 C 138.001 0.1 . 477 47 47 HIS N N 121.357 0.1 . 478 48 48 VAL H H 8.420 0.02 . 479 48 48 VAL HA H 4.294 0.02 . 480 48 48 VAL HB H 1.843 0.02 . 481 48 48 VAL HG1 H 0.791 0.02 . 482 48 48 VAL HG2 H 0.667 0.02 . 483 48 48 VAL C C 175.344 0.1 . 484 48 48 VAL CA C 61.154 0.1 . 485 48 48 VAL CB C 33.550 0.1 . 486 48 48 VAL CG1 C 21.168 0.1 . 487 48 48 VAL CG2 C 20.915 0.1 . 488 48 48 VAL N N 123.524 0.1 . 489 49 49 LYS H H 9.155 0.02 . 490 49 49 LYS HA H 3.764 0.02 . 491 49 49 LYS HB2 H 2.043 0.02 . 492 49 49 LYS HB3 H 1.890 0.02 . 493 49 49 LYS HG2 H 1.507 0.02 . 494 49 49 LYS HG3 H 1.421 0.02 . 495 49 49 LYS HD2 H 1.678 0.02 . 496 49 49 LYS HD3 H 1.678 0.02 . 497 49 49 LYS HE2 H 2.968 0.02 . 498 49 49 LYS HE3 H 2.968 0.02 . 499 49 49 LYS C C 176.420 0.1 . 500 49 49 LYS CA C 58.931 0.1 . 501 49 49 LYS CB C 30.460 0.1 . 502 49 49 LYS CG C 25.682 0.1 . 503 49 49 LYS CD C 29.381 0.1 . 504 49 49 LYS CE C 42.734 0.1 . 505 49 49 LYS N N 125.472 0.1 . 506 50 50 ARG H H 8.339 0.02 . 507 50 50 ARG HA H 4.218 0.02 . 508 50 50 ARG HB2 H 2.083 0.02 . 509 50 50 ARG HB3 H 1.850 0.02 . 510 50 50 ARG HG2 H 1.636 0.02 . 511 50 50 ARG HG3 H 1.575 0.02 . 512 50 50 ARG HD2 H 3.174 0.02 . 513 50 50 ARG HD3 H 3.174 0.02 . 514 50 50 ARG C C 175.755 0.1 . 515 50 50 ARG CA C 57.215 0.1 . 516 50 50 ARG CB C 29.743 0.1 . 517 50 50 ARG CG C 27.901 0.1 . 518 50 50 ARG CD C 43.486 0.1 . 519 50 50 ARG N N 118.596 0.1 . 520 51 51 ARG H H 8.144 0.02 . 521 51 51 ARG HA H 4.459 0.02 . 522 51 51 ARG HB2 H 1.801 0.02 . 523 51 51 ARG HB3 H 1.801 0.02 . 524 51 51 ARG HG2 H 1.584 0.02 . 525 51 51 ARG HG3 H 1.584 0.02 . 526 51 51 ARG HD2 H 3.127 0.02 . 527 51 51 ARG HD3 H 3.127 0.02 . 528 51 51 ARG C C 174.520 0.1 . 529 51 51 ARG CA C 55.725 0.1 . 530 51 51 ARG CB C 32.480 0.1 . 531 51 51 ARG CG C 26.977 0.1 . 532 51 51 ARG CD C 44.204 0.1 . 533 51 51 ARG N N 120.670 0.1 . 534 52 52 ARG H H 8.437 0.02 . 535 52 52 ARG HA H 4.831 0.02 . 536 52 52 ARG HB2 H 1.459 0.02 . 537 52 52 ARG HB3 H 1.459 0.02 . 538 52 52 ARG HG2 H 1.059 0.02 . 539 52 52 ARG HG3 H 1.162 0.02 . 540 52 52 ARG HD2 H 2.971 0.02 . 541 52 52 ARG HD3 H 2.886 0.02 . 542 52 52 ARG C C 175.166 0.1 . 543 52 52 ARG CA C 54.795 0.1 . 544 52 52 ARG CB C 32.173 0.1 . 545 52 52 ARG CG C 27.000 0.1 . 546 52 52 ARG CD C 44.131 0.1 . 547 52 52 ARG N N 124.022 0.1 . 548 53 53 ILE H H 9.218 0.02 . 549 53 53 ILE HA H 4.240 0.02 . 550 53 53 ILE HB H 1.576 0.02 . 551 53 53 ILE HG12 H 0.939 0.02 . 552 53 53 ILE HG13 H 1.284 0.02 . 553 53 53 ILE HG2 H 0.713 0.02 . 554 53 53 ILE HD1 H 0.634 0.02 . 555 53 53 ILE C C 174.380 0.1 . 556 53 53 ILE CA C 60.786 0.1 . 557 53 53 ILE CB C 41.233 0.1 . 558 53 53 ILE CG1 C 28.389 0.1 . 559 53 53 ILE CG2 C 18.099 0.1 . 560 53 53 ILE CD1 C 14.371 0.1 . 561 53 53 ILE N N 126.673 0.1 . 562 54 54 CYS H H 8.821 0.02 . 563 54 54 CYS HA H 5.117 0.02 . 564 54 54 CYS HB2 H 3.599 0.02 . 565 54 54 CYS HB3 H 2.767 0.02 . 566 54 54 CYS C C 173.959 0.1 . 567 54 54 CYS CA C 55.093 0.1 . 568 54 54 CYS CB C 46.227 0.1 . 569 54 54 CYS N N 126.050 0.1 . 570 55 55 VAL H H 9.484 0.02 . 571 55 55 VAL HA H 4.728 0.02 . 572 55 55 VAL HB H 1.875 0.02 . 573 55 55 VAL HG1 H 0.819 0.02 . 574 55 55 VAL HG2 H 0.727 0.02 . 575 55 55 VAL C C 174.183 0.1 . 576 55 55 VAL CA C 60.129 0.1 . 577 55 55 VAL CB C 35.467 0.1 . 578 55 55 VAL CG1 C 21.900 0.1 . 579 55 55 VAL CG2 C 21.775 0.1 . 580 55 55 VAL N N 122.385 0.1 . 581 56 56 SER H H 8.355 0.02 . 582 56 56 SER HA H 4.501 0.02 . 583 56 56 SER HB2 H 3.793 0.02 . 584 56 56 SER HB3 H 3.628 0.02 . 585 56 56 SER C C 174.692 0.1 . 586 56 56 SER CA C 57.722 0.1 . 587 56 56 SER CB C 64.825 0.1 . 588 56 56 SER N N 118.596 0.1 . 589 57 57 PRO HA H 4.165 0.02 . 590 57 57 PRO HB2 H 1.498 0.02 . 591 57 57 PRO HB3 H 2.001 0.02 . 592 57 57 PRO HG2 H 1.397 0.02 . 593 57 57 PRO HG3 H 1.616 0.02 . 594 57 57 PRO HD2 H 3.660 0.02 . 595 57 57 PRO HD3 H 3.660 0.02 . 596 57 57 PRO C C 175.679 0.1 . 597 57 57 PRO CA C 63.694 0.1 . 598 57 57 PRO CB C 31.832 0.1 . 599 57 57 PRO CG C 27.439 0.1 . 600 57 57 PRO CD C 51.254 0.1 . 601 58 58 HIS H H 7.537 0.02 . 602 58 58 HIS HA H 4.547 0.02 . 603 58 58 HIS HB2 H 2.783 0.02 . 604 58 58 HIS HB3 H 3.259 0.02 . 605 58 58 HIS HD2 H 6.935 0.02 . 606 58 58 HIS C C 175.868 0.1 . 607 58 58 HIS CA C 55.270 0.1 . 608 58 58 HIS CB C 30.866 0.1 . 609 58 58 HIS CD2 C 119.100 0.1 . 610 58 58 HIS N N 113.490 0.1 . 611 59 59 ASN H H 7.314 0.02 . 612 59 59 ASN HA H 4.558 0.02 . 613 59 59 ASN HB2 H 2.762 0.02 . 614 59 59 ASN HB3 H 2.656 0.02 . 615 59 59 ASN HD21 H 7.611 0.02 . 616 59 59 ASN HD22 H 7.474 0.02 . 617 59 59 ASN CA C 55.781 0.1 . 618 59 59 ASN CB C 40.250 0.1 . 619 59 59 ASN N N 120.376 0.1 . 620 59 59 ASN ND2 N 113.733 0.1 . 621 60 60 HIS HA H 4.162 0.02 . 622 60 60 HIS HB2 H 3.246 0.02 . 623 60 60 HIS HB3 H 3.183 0.02 . 624 60 60 HIS HD2 H 7.117 0.02 . 625 60 60 HIS C C 176.962 0.1 . 626 60 60 HIS CA C 60.655 0.1 . 627 60 60 HIS CB C 30.970 0.1 . 628 60 60 HIS CD2 C 119.364 0.1 . 629 61 61 THR H H 7.740 0.02 . 630 61 61 THR HA H 3.882 0.02 . 631 61 61 THR HB H 4.308 0.02 . 632 61 61 THR HG2 H 1.105 0.02 . 633 61 61 THR C C 177.290 0.1 . 634 61 61 THR CA C 66.759 0.1 . 635 61 61 THR CB C 68.434 0.1 . 636 61 61 THR CG2 C 22.146 0.1 . 637 61 61 THR N N 117.762 0.1 . 638 62 62 VAL H H 8.515 0.02 . 639 62 62 VAL HA H 3.782 0.02 . 640 62 62 VAL HB H 2.105 0.02 . 641 62 62 VAL HG1 H 1.050 0.02 . 642 62 62 VAL HG2 H 0.856 0.02 . 643 62 62 VAL C C 176.145 0.1 . 644 62 62 VAL CA C 66.456 0.1 . 645 62 62 VAL CB C 32.059 0.1 . 646 62 62 VAL CG1 C 21.337 0.1 . 647 62 62 VAL CG2 C 21.474 0.1 . 648 62 62 VAL N N 123.241 0.1 . 649 63 63 LYS H H 8.314 0.02 . 650 63 63 LYS HA H 3.999 0.02 . 651 63 63 LYS HB2 H 1.798 0.02 . 652 63 63 LYS HB3 H 1.798 0.02 . 653 63 63 LYS HG2 H 1.680 0.02 . 654 63 63 LYS HG3 H 1.680 0.02 . 655 63 63 LYS HD2 H 1.660 0.02 . 656 63 63 LYS HD3 H 1.660 0.02 . 657 63 63 LYS HE2 H 2.972 0.02 . 658 63 63 LYS HE3 H 2.972 0.02 . 659 63 63 LYS C C 179.900 0.1 . 660 63 63 LYS CA C 60.826 0.1 . 661 63 63 LYS CB C 32.156 0.1 . 662 63 63 LYS CG C 25.690 0.1 . 663 63 63 LYS CD C 30.051 0.1 . 664 63 63 LYS CE C 41.543 0.1 . 665 63 63 LYS N N 121.354 0.1 . 666 64 64 GLN H H 8.045 0.02 . 667 64 64 GLN HA H 4.026 0.02 . 668 64 64 GLN HB2 H 2.126 0.02 . 669 64 64 GLN HB3 H 2.126 0.02 . 670 64 64 GLN HG2 H 2.374 0.02 . 671 64 64 GLN HG3 H 2.306 0.02 . 672 64 64 GLN HE21 H 7.253 0.02 . 673 64 64 GLN HE22 H 6.880 0.02 . 674 64 64 GLN C C 177.879 0.1 . 675 64 64 GLN CA C 58.982 0.1 . 676 64 64 GLN CB C 28.555 0.1 . 677 64 64 GLN CG C 33.782 0.1 . 678 64 64 GLN N N 118.813 0.1 . 679 64 64 GLN NE2 N 111.859 0.1 . 680 65 65 TRP H H 7.969 0.02 . 681 65 65 TRP HA H 4.267 0.02 . 682 65 65 TRP HB2 H 3.241 0.02 . 683 65 65 TRP HB3 H 3.530 0.02 . 684 65 65 TRP HD1 H 7.222 0.02 . 685 65 65 TRP HE1 H 10.007 0.02 . 686 65 65 TRP HE3 H 7.548 0.02 . 687 65 65 TRP HZ2 H 7.314 0.02 . 688 65 65 TRP HZ3 H 6.779 0.02 . 689 65 65 TRP HH2 H 6.849 0.02 . 690 65 65 TRP C C 178.104 0.1 . 691 65 65 TRP CA C 61.633 0.1 . 692 65 65 TRP CB C 29.264 0.1 . 693 65 65 TRP CD1 C 127.129 0.1 . 694 65 65 TRP CE3 C 120.400 0.1 . 695 65 65 TRP CZ2 C 114.705 0.1 . 696 65 65 TRP CZ3 C 121.435 0.1 . 697 65 65 TRP CH2 C 124.282 0.1 . 698 65 65 TRP N N 121.887 0.1 . 699 65 65 TRP NE1 N 130.898 0.1 . 700 66 66 MET H H 8.875 0.02 . 701 66 66 MET HA H 3.410 0.02 . 702 66 66 MET HB2 H 2.199 0.02 . 703 66 66 MET HB3 H 1.998 0.02 . 704 66 66 MET HG2 H 3.093 0.02 . 705 66 66 MET HG3 H 2.473 0.02 . 706 66 66 MET C C 178.955 0.1 . 707 66 66 MET CA C 59.891 0.1 . 708 66 66 MET CB C 33.451 0.1 . 709 66 66 MET CG C 33.276 0.1 . 710 66 66 MET N N 118.164 0.1 . 711 67 67 LYS H H 7.545 0.02 . 712 67 67 LYS HA H 3.932 0.02 . 713 67 67 LYS HB2 H 1.915 0.02 . 714 67 67 LYS HB3 H 1.915 0.02 . 715 67 67 LYS HG2 H 1.535 0.02 . 716 67 67 LYS HG3 H 1.336 0.02 . 717 67 67 LYS HD2 H 1.631 0.02 . 718 67 67 LYS HD3 H 1.631 0.02 . 719 67 67 LYS HE2 H 2.912 0.02 . 720 67 67 LYS HE3 H 2.912 0.02 . 721 67 67 LYS C C 179.386 0.1 . 722 67 67 LYS CA C 59.729 0.1 . 723 67 67 LYS CB C 32.480 0.1 . 724 67 67 LYS CG C 25.358 0.1 . 725 67 67 LYS CD C 30.214 0.1 . 726 67 67 LYS CE C 42.531 0.1 . 727 67 67 LYS N N 119.759 0.1 . 728 68 68 VAL H H 7.811 0.02 . 729 68 68 VAL HA H 3.625 0.02 . 730 68 68 VAL HB H 2.116 0.02 . 731 68 68 VAL HG1 H 1.034 0.02 . 732 68 68 VAL HG2 H 0.852 0.02 . 733 68 68 VAL C C 179.432 0.1 . 734 68 68 VAL CA C 66.237 0.1 . 735 68 68 VAL CB C 31.837 0.1 . 736 68 68 VAL CG1 C 22.400 0.1 . 737 68 68 VAL CG2 C 21.194 0.1 . 738 68 68 VAL N N 120.679 0.1 . 739 69 69 GLN H H 8.088 0.02 . 740 69 69 GLN HA H 3.621 0.02 . 741 69 69 GLN HB2 H 1.443 0.02 . 742 69 69 GLN HB3 H 1.663 0.02 . 743 69 69 GLN HG2 H 1.465 0.02 . 744 69 69 GLN HG3 H 1.101 0.02 . 745 69 69 GLN HE21 H 6.202 0.02 . 746 69 69 GLN HE22 H 6.865 0.02 . 747 69 69 GLN C C 178.506 0.1 . 748 69 69 GLN CA C 57.862 0.1 . 749 69 69 GLN CB C 28.343 0.1 . 750 69 69 GLN CG C 32.482 0.1 . 751 69 69 GLN N N 118.101 0.1 . 752 69 69 GLN NE2 N 113.743 0.1 . 753 70 70 ALA H H 7.701 0.02 . 754 70 70 ALA HA H 3.893 0.02 . 755 70 70 ALA HB H 1.343 0.02 . 756 70 70 ALA C C 178.394 0.1 . 757 70 70 ALA CA C 54.199 0.1 . 758 70 70 ALA CB C 18.267 0.1 . 759 70 70 ALA N N 119.775 0.1 . 760 71 71 ALA H H 7.248 0.02 . 761 71 71 ALA HA H 4.228 0.02 . 762 71 71 ALA HB H 1.388 0.02 . 763 71 71 ALA C C 178.581 0.1 . 764 71 71 ALA CA C 52.873 0.1 . 765 71 71 ALA CB C 19.058 0.1 . 766 71 71 ALA N N 118.697 0.1 . 767 72 72 LYS H H 7.232 0.02 . 768 72 72 LYS HA H 4.106 0.02 . 769 72 72 LYS HB2 H 1.739 0.02 . 770 72 72 LYS HB3 H 1.739 0.02 . 771 72 72 LYS HG2 H 1.383 0.02 . 772 72 72 LYS HG3 H 1.383 0.02 . 773 72 72 LYS HD2 H 1.561 0.02 . 774 72 72 LYS HD3 H 1.561 0.02 . 775 72 72 LYS HE2 H 2.856 0.02 . 776 72 72 LYS HE3 H 2.856 0.02 . 777 72 72 LYS C C 176.286 0.1 . 778 72 72 LYS CA C 57.574 0.1 . 779 72 72 LYS CB C 33.127 0.1 . 780 72 72 LYS CG C 25.682 0.1 . 781 72 72 LYS CD C 29.566 0.1 . 782 72 72 LYS CE C 42.191 0.1 . 783 72 72 LYS N N 118.697 0.1 . 784 73 73 LYS H H 8.153 0.02 . 785 73 73 LYS HA H 4.232 0.02 . 786 73 73 LYS HB2 H 1.906 0.02 . 787 73 73 LYS HB3 H 1.782 0.02 . 788 73 73 LYS HG2 H 1.352 0.02 . 789 73 73 LYS HG3 H 1.352 0.02 . 790 73 73 LYS HD2 H 1.675 0.02 . 791 73 73 LYS HD3 H 1.675 0.02 . 792 73 73 LYS HE2 H 2.964 0.02 . 793 73 73 LYS HE3 H 2.964 0.02 . 794 73 73 LYS C C 176.993 0.1 . 795 73 73 LYS CA C 56.772 0.1 . 796 73 73 LYS CB C 32.931 0.1 . 797 73 73 LYS CG C 25.039 0.1 . 798 73 73 LYS CD C 29.133 0.1 . 799 73 73 LYS CE C 42.779 0.1 . 800 73 73 LYS N N 123.074 0.1 . 801 74 74 ASN H H 8.378 0.02 . 802 74 74 ASN HA H 4.514 0.02 . 803 74 74 ASN HB2 H 2.914 0.02 . 804 74 74 ASN HB3 H 2.801 0.02 . 805 74 74 ASN HD21 H 7.551 0.02 . 806 74 74 ASN HD22 H 6.873 0.02 . 807 74 74 ASN C C 175.580 0.1 . 808 74 74 ASN CA C 54.163 0.1 . 809 74 74 ASN CB C 37.983 0.1 . 810 74 74 ASN N N 116.989 0.1 . 811 74 74 ASN ND2 N 112.779 0.1 . 812 75 75 GLY H H 8.275 0.02 . 813 75 75 GLY HA2 H 4.013 0.02 . 814 75 75 GLY HA3 H 3.846 0.02 . 815 75 75 GLY C C 175.007 0.1 . 816 75 75 GLY CA C 46.079 0.1 . 817 75 75 GLY N N 107.247 0.1 . 818 76 76 LYS H H 7.769 0.02 . 819 76 76 LYS HA H 4.327 0.02 . 820 76 76 LYS HB2 H 1.908 0.02 . 821 76 76 LYS HB3 H 1.690 0.02 . 822 76 76 LYS HG2 H 1.397 0.02 . 823 76 76 LYS HG3 H 1.397 0.02 . 824 76 76 LYS HD2 H 1.324 0.02 . 825 76 76 LYS HD3 H 1.324 0.02 . 826 76 76 LYS HE2 H 2.956 0.02 . 827 76 76 LYS HE3 H 2.956 0.02 . 828 76 76 LYS C C 177.176 0.1 . 829 76 76 LYS CA C 56.180 0.1 . 830 76 76 LYS CB C 32.781 0.1 . 831 76 76 LYS CG C 25.283 0.1 . 832 76 76 LYS CD C 29.128 0.1 . 833 76 76 LYS CE C 42.407 0.1 . 834 76 76 LYS N N 119.128 0.1 . 835 77 77 GLY H H 8.317 0.02 . 836 77 77 GLY HA2 H 3.952 0.02 . 837 77 77 GLY HA3 H 3.866 0.02 . 838 77 77 GLY C C 173.285 0.1 . 839 77 77 GLY CA C 45.272 0.1 . 840 77 77 GLY N N 108.797 0.1 . 841 78 78 ASN H H 7.738 0.02 . 842 78 78 ASN HA H 4.677 0.02 . 843 78 78 ASN HB2 H 2.672 0.02 . 844 78 78 ASN HB3 H 2.530 0.02 . 845 78 78 ASN HD21 H 7.437 0.02 . 846 78 78 ASN HD22 H 6.596 0.02 . 847 78 78 ASN C C 174.576 0.1 . 848 78 78 ASN CA C 52.846 0.1 . 849 78 78 ASN CB C 39.037 0.1 . 850 78 78 ASN N N 119.642 0.1 . 851 78 78 ASN ND2 N 111.697 0.1 . 852 79 79 VAL H H 7.882 0.02 . 853 79 79 VAL HA H 3.830 0.02 . 854 79 79 VAL HB H 1.895 0.02 . 855 79 79 VAL HG1 H 0.725 0.02 . 856 79 79 VAL HG2 H 0.745 0.02 . 857 79 79 VAL C C 176.120 0.1 . 858 79 79 VAL CA C 62.770 0.1 . 859 79 79 VAL CB C 32.982 0.1 . 860 79 79 VAL CG1 C 21.194 0.1 . 861 79 79 VAL CG2 C 20.698 0.1 . 862 79 79 VAL N N 120.201 0.1 . 863 80 80 CYS H H 8.283 0.02 . 864 80 80 CYS HA H 4.839 0.02 . 865 80 80 CYS HB2 H 2.836 0.02 . 866 80 80 CYS HB3 H 2.749 0.02 . 867 80 80 CYS C C 174.296 0.1 . 868 80 80 CYS CA C 54.486 0.1 . 869 80 80 CYS CB C 43.809 0.1 . 870 80 80 CYS N N 120.413 0.1 . 871 81 81 HIS H H 8.047 0.02 . 872 81 81 HIS HA H 4.593 0.02 . 873 81 81 HIS HB2 H 3.156 0.02 . 874 81 81 HIS HB3 H 2.974 0.02 . 875 81 81 HIS HD2 H 7.075 0.02 . 876 81 81 HIS C C 175.072 0.1 . 877 81 81 HIS CA C 56.457 0.1 . 878 81 81 HIS CB C 32.480 0.1 . 879 81 81 HIS CD2 C 120.141 0.1 . 880 81 81 HIS N N 121.936 0.1 . 881 82 82 ARG H H 8.617 0.02 . 882 82 82 ARG HA H 4.498 0.02 . 883 82 82 ARG HB2 H 1.819 0.02 . 884 82 82 ARG HB3 H 1.700 0.02 . 885 82 82 ARG HG2 H 1.594 0.02 . 886 82 82 ARG HG3 H 1.594 0.02 . 887 82 82 ARG HD2 H 3.120 0.02 . 888 82 82 ARG HD3 H 3.120 0.02 . 889 82 82 ARG C C 175.905 0.1 . 890 82 82 ARG CA C 56.180 0.1 . 891 82 82 ARG CB C 31.858 0.1 . 892 82 82 ARG CG C 27.812 0.1 . 893 82 82 ARG CD C 43.900 0.1 . 894 82 82 ARG N N 122.589 0.1 . 895 83 83 LYS H H 8.528 0.02 . 896 83 83 LYS HA H 4.277 0.02 . 897 83 83 LYS HB2 H 1.792 0.02 . 898 83 83 LYS HB3 H 1.673 0.02 . 899 83 83 LYS HG2 H 1.392 0.02 . 900 83 83 LYS HG3 H 1.392 0.02 . 901 83 83 LYS HE2 H 2.948 0.02 . 902 83 83 LYS HE3 H 2.948 0.02 . 903 83 83 LYS C C 176.270 0.1 . 904 83 83 LYS CA C 56.664 0.1 . 905 83 83 LYS CB C 33.779 0.1 . 906 83 83 LYS CG C 25.182 0.1 . 907 83 83 LYS CE C 42.191 0.1 . 908 83 83 LYS N N 124.179 0.1 . 909 84 84 LYS H H 8.516 0.02 . 910 84 84 LYS HA H 4.262 0.02 . 911 84 84 LYS HB2 H 1.674 0.02 . 912 84 84 LYS HB3 H 1.674 0.02 . 913 84 84 LYS HG2 H 1.398 0.02 . 914 84 84 LYS HG3 H 1.398 0.02 . 915 84 84 LYS HD2 H 1.324 0.02 . 916 84 84 LYS HD3 H 1.324 0.02 . 917 84 84 LYS HE2 H 2.950 0.02 . 918 84 84 LYS HE3 H 2.950 0.02 . 919 84 84 LYS C C 176.270 0.1 . 920 84 84 LYS CA C 56.603 0.1 . 921 84 84 LYS CB C 33.320 0.1 . 922 84 84 LYS CG C 25.081 0.1 . 923 84 84 LYS CD C 29.482 0.1 . 924 84 84 LYS CE C 42.407 0.1 . 925 84 84 LYS N N 125.283 0.1 . 926 85 85 HIS H H 8.402 0.02 . 927 85 85 HIS HA H 4.481 0.02 . 928 85 85 HIS HB2 H 3.096 0.02 . 929 85 85 HIS HB3 H 2.814 0.02 . 930 85 85 HIS HD2 H 7.043 0.02 . 931 85 85 HIS CA C 57.405 0.1 . 932 85 85 HIS CB C 31.509 0.1 . 933 85 85 HIS CD2 C 119.105 0.1 . 934 85 85 HIS N N 120.570 0.1 . 935 86 86 HIS HA H 4.567 0.02 . 936 86 86 HIS HB2 H 2.985 0.02 . 937 86 86 HIS HB3 H 2.985 0.02 . 938 86 86 HIS HD2 H 6.976 0.02 . 939 86 86 HIS C C 175.546 0.1 . 940 86 86 HIS CA C 56.169 0.1 . 941 86 86 HIS CB C 31.346 0.1 . 942 86 86 HIS CD2 C 120.658 0.1 . 943 87 87 GLY H H 8.339 0.02 . 944 87 87 GLY HA2 H 3.955 0.02 . 945 87 87 GLY HA3 H 3.861 0.02 . 946 87 87 GLY C C 174.142 0.1 . 947 87 87 GLY CA C 45.402 0.1 . 948 87 87 GLY N N 110.516 0.1 . 949 88 88 LYS H H 8.249 0.02 . 950 88 88 LYS HA H 4.228 0.02 . 951 88 88 LYS HB2 H 1.683 0.02 . 952 88 88 LYS HB3 H 1.683 0.02 . 953 88 88 LYS HG2 H 1.310 0.02 . 954 88 88 LYS HG3 H 1.310 0.02 . 955 88 88 LYS HD2 H 1.383 0.02 . 956 88 88 LYS HD3 H 1.383 0.02 . 957 88 88 LYS HE2 H 2.946 0.02 . 958 88 88 LYS HE3 H 2.946 0.02 . 959 88 88 LYS C C 176.831 0.1 . 960 88 88 LYS CA C 56.413 0.1 . 961 88 88 LYS CB C 33.505 0.1 . 962 88 88 LYS CG C 25.182 0.1 . 963 88 88 LYS CD C 29.533 0.1 . 964 88 88 LYS CE C 41.867 0.1 . 965 88 88 LYS N N 119.837 0.1 . 966 89 89 ARG H H 8.442 0.02 . 967 89 89 ARG HA H 4.256 0.02 . 968 89 89 ARG HB2 H 1.796 0.02 . 969 89 89 ARG HB3 H 1.796 0.02 . 970 89 89 ARG HG2 H 1.579 0.02 . 971 89 89 ARG HG3 H 1.579 0.02 . 972 89 89 ARG HD2 H 3.131 0.02 . 973 89 89 ARG HD3 H 3.131 0.02 . 974 89 89 ARG C C 176.176 0.1 . 975 89 89 ARG CA C 56.477 0.1 . 976 89 89 ARG CB C 30.863 0.1 . 977 89 89 ARG CG C 27.610 0.1 . 978 89 89 ARG CD C 43.698 0.1 . 979 89 89 ARG N N 122.836 0.1 . 980 90 90 ASN H H 8.533 0.02 . 981 90 90 ASN HA H 4.676 0.02 . 982 90 90 ASN HB2 H 2.722 0.02 . 983 90 90 ASN HB3 H 2.722 0.02 . 984 90 90 ASN HD21 H 7.451 0.02 . 985 90 90 ASN HD22 H 6.797 0.02 . 986 90 90 ASN C C 175.363 0.1 . 987 90 90 ASN CA C 53.839 0.1 . 988 90 90 ASN CB C 39.147 0.1 . 989 90 90 ASN N N 120.701 0.1 . 990 90 90 ASN ND2 N 112.706 0.1 . 991 91 91 SER H H 8.302 0.02 . 992 91 91 SER HA H 4.433 0.02 . 993 91 91 SER HB2 H 3.866 0.02 . 994 91 91 SER HB3 H 3.866 0.02 . 995 91 91 SER C C 174.399 0.1 . 996 91 91 SER CA C 58.654 0.1 . 997 91 91 SER CB C 64.172 0.1 . 998 91 91 SER N N 116.662 0.1 . 999 92 92 ASN H H 8.368 0.02 . 1000 92 92 ASN HA H 4.662 0.02 . 1001 92 92 ASN HB2 H 2.787 0.02 . 1002 92 92 ASN HB3 H 2.787 0.02 . 1003 92 92 ASN HD21 H 6.756 0.02 . 1004 92 92 ASN HD22 H 6.267 0.02 . 1005 92 92 ASN C C 175.390 0.1 . 1006 92 92 ASN CA C 53.579 0.1 . 1007 92 92 ASN CB C 39.202 0.1 . 1008 92 92 ASN N N 121.006 0.1 . 1009 92 92 ASN ND2 N 113.219 0.1 . 1010 93 93 ARG H H 8.209 0.02 . 1011 93 93 ARG HA H 4.251 0.02 . 1012 93 93 ARG HB2 H 1.795 0.02 . 1013 93 93 ARG HB3 H 1.709 0.02 . 1014 93 93 ARG HG2 H 1.588 0.02 . 1015 93 93 ARG HG3 H 1.588 0.02 . 1016 93 93 ARG HD2 H 3.127 0.02 . 1017 93 93 ARG HD3 H 3.127 0.02 . 1018 93 93 ARG C C 176.167 0.1 . 1019 93 93 ARG CA C 56.457 0.1 . 1020 93 93 ARG CB C 30.862 0.1 . 1021 93 93 ARG CG C 27.509 0.1 . 1022 93 93 ARG CD C 43.496 0.1 . 1023 93 93 ARG N N 121.537 0.1 . 1024 94 94 ALA H H 8.204 0.02 . 1025 94 94 ALA HA H 4.208 0.02 . 1026 94 94 ALA HB H 1.270 0.02 . 1027 94 94 ALA C C 177.692 0.1 . 1028 94 94 ALA CA C 52.948 0.1 . 1029 94 94 ALA CB C 19.391 0.1 . 1030 94 94 ALA N N 124.533 0.1 . 1031 95 95 HIS H H 8.223 0.02 . 1032 95 95 HIS HA H 4.566 0.02 . 1033 95 95 HIS HB2 H 3.107 0.02 . 1034 95 95 HIS HB3 H 3.034 0.02 . 1035 95 95 HIS C C 175.297 0.1 . 1036 95 95 HIS CA C 56.331 0.1 . 1037 95 95 HIS CB C 30.537 0.1 . 1038 95 95 HIS N N 118.401 0.1 . 1039 96 96 GLN H H 8.203 0.02 . 1040 96 96 GLN HA H 4.282 0.02 . 1041 96 96 GLN HB2 H 2.062 0.02 . 1042 96 96 GLN HB3 H 1.914 0.02 . 1043 96 96 GLN HG2 H 2.279 0.02 . 1044 96 96 GLN HG3 H 2.279 0.02 . 1045 96 96 GLN C C 176.295 0.1 . 1046 96 96 GLN CA C 56.157 0.1 . 1047 96 96 GLN CB C 29.566 0.1 . 1048 96 96 GLN CG C 34.086 0.1 . 1049 96 96 GLN N N 121.698 0.1 . 1050 97 97 GLY H H 8.435 0.02 . 1051 97 97 GLY HA2 H 3.915 0.02 . 1052 97 97 GLY HA3 H 3.829 0.02 . 1053 97 97 GLY C C 173.996 0.1 . 1054 97 97 GLY CA C 45.348 0.1 . 1055 97 97 GLY N N 110.344 0.1 . 1056 98 98 LYS H H 8.204 0.02 . 1057 98 98 LYS N N 120.902 0.1 . 1058 100 100 GLU HA H 4.241 0.02 . 1059 100 100 GLU HB2 H 1.818 0.02 . 1060 100 100 GLU HB3 H 1.818 0.02 . 1061 100 100 GLU HG2 H 2.115 0.02 . 1062 100 100 GLU HG3 H 2.115 0.02 . 1063 100 100 GLU C C 176.445 0.1 . 1064 100 100 GLU CA C 56.755 0.1 . 1065 100 100 GLU CB C 30.531 0.1 . 1066 100 100 GLU CG C 36.514 0.1 . 1067 101 101 THR H H 8.157 0.02 . 1068 101 101 THR HA H 4.209 0.02 . 1069 101 101 THR HB H 4.074 0.02 . 1070 101 101 THR HG2 H 1.044 0.02 . 1071 101 101 THR C C 174.389 0.1 . 1072 101 101 THR CA C 62.088 0.1 . 1073 101 101 THR CB C 70.099 0.1 . 1074 101 101 THR CG2 C 22.045 0.1 . 1075 101 101 THR N N 115.153 0.1 . 1076 102 102 TYR H H 8.195 0.02 . 1077 102 102 TYR HA H 4.504 0.02 . 1078 102 102 TYR HB2 H 3.019 0.02 . 1079 102 102 TYR HB3 H 2.884 0.02 . 1080 102 102 TYR HD1 H 7.045 0.02 . 1081 102 102 TYR HD2 H 7.045 0.02 . 1082 102 102 TYR HE1 H 6.763 0.02 . 1083 102 102 TYR HE2 H 6.763 0.02 . 1084 102 102 TYR C C 176.361 0.1 . 1085 102 102 TYR CA C 58.326 0.1 . 1086 102 102 TYR CB C 38.767 0.1 . 1087 102 102 TYR CD1 C 133.342 0.1 . 1088 102 102 TYR CE1 C 118.329 0.1 . 1089 102 102 TYR N N 122.527 0.1 . 1090 103 103 GLY H H 8.245 0.02 . 1091 103 103 GLY HA2 H 3.828 0.02 . 1092 103 103 GLY HA3 H 3.762 0.02 . 1093 103 103 GLY C C 173.900 0.1 . 1094 103 103 GLY CA C 45.424 0.1 . 1095 103 103 GLY N N 110.491 0.1 . 1096 104 104 HIS H H 8.108 0.02 . 1097 104 104 HIS HA H 4.572 0.02 . 1098 104 104 HIS HB2 H 3.091 0.02 . 1099 104 104 HIS HB3 H 3.016 0.02 . 1100 104 104 HIS C C 175.072 0.1 . 1101 104 104 HIS CA C 56.130 0.1 . 1102 104 104 HIS CB C 30.751 0.1 . 1103 104 104 HIS N N 119.004 0.1 . 1104 105 105 LYS H H 8.364 0.02 . 1105 105 105 LYS HA H 4.279 0.02 . 1106 105 105 LYS HB2 H 1.787 0.02 . 1107 105 105 LYS HB3 H 1.679 0.02 . 1108 105 105 LYS HG2 H 1.393 0.02 . 1109 105 105 LYS HG3 H 1.393 0.02 . 1110 105 105 LYS HD2 H 1.317 0.02 . 1111 105 105 LYS HD3 H 1.317 0.02 . 1112 105 105 LYS HE2 H 2.954 0.02 . 1113 105 105 LYS HE3 H 2.954 0.02 . 1114 105 105 LYS C C 175.885 0.1 . 1115 105 105 LYS CA C 56.505 0.1 . 1116 105 105 LYS CB C 33.301 0.1 . 1117 105 105 LYS CG C 24.979 0.1 . 1118 105 105 LYS CD C 29.533 0.1 . 1119 105 105 LYS CE C 42.180 0.1 . 1120 105 105 LYS N N 122.651 0.1 . 1121 106 106 THR H H 8.421 0.02 . 1122 106 106 THR C C 173.054 0.1 . 1123 106 106 THR N N 128.120 0.1 . 1124 107 107 PRO HA H 4.609 0.02 . 1125 107 107 PRO HB2 H 2.246 0.02 . 1126 107 107 PRO HB3 H 2.051 0.02 . 1127 107 107 PRO HG2 H 1.588 0.02 . 1128 107 107 PRO HG3 H 1.831 0.02 . 1129 107 107 PRO HD2 H 3.424 0.02 . 1130 107 107 PRO HD3 H 3.491 0.02 . 1131 107 107 PRO C C 175.367 0.1 . 1132 107 107 PRO CA C 63.231 0.1 . 1133 107 107 PRO CB C 34.422 0.1 . 1134 107 107 PRO CG C 24.387 0.1 . 1135 107 107 PRO CD C 50.283 0.1 . 1136 108 108 TYR H H 7.353 0.02 . 1137 108 108 TYR HA H 4.322 0.02 . 1138 108 108 TYR HB2 H 3.007 0.02 . 1139 108 108 TYR HB3 H 2.874 0.02 . 1140 108 108 TYR HD1 H 7.042 0.02 . 1141 108 108 TYR HD2 H 7.042 0.02 . 1142 108 108 TYR HE1 H 6.755 0.02 . 1143 108 108 TYR HE2 H 6.755 0.02 . 1144 108 108 TYR CA C 59.347 0.1 . 1145 108 108 TYR CB C 39.601 0.1 . 1146 108 108 TYR CD1 C 133.342 0.1 . 1147 108 108 TYR CE1 C 118.329 0.1 . 1148 108 108 TYR N N 124.019 0.1 . stop_ save_