data_18197 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; rat Angiogenin ; _BMRB_accession_number 18197 _BMRB_flat_file_name bmr18197.str _Entry_type original _Submission_date 2012-01-16 _Accession_date 2012-01-16 _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 Lee Chung-Kyung . . 2 Cheong Hae-Kap . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 667 "13C chemical shifts" 482 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-05-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, (15)N backbone and side-chain resonance assignments of rat angiogenin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22477091 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Chung-Kyung . . 2 Yeo 'Kwon Joo' . . 3 Hwang Eunha . . 4 Cheong Hae-Kap . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 92 _Year 2013 _Details . loop_ _Keyword angiogenin NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'angiogenin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label angiogenin $angiogenin 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_angiogenin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common angiogenin _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GSHMAQDDPRYTKFLTQHYD AKPKGRDARYCESMMRRRGL TSPCKEVNTFIHGNKGSIKA ICGANGSPYGENLRISQSPF QITTCKHTGGSPRPPCRYRA SAGFRHVVIACENGLPVHFD ESFISL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ALA 6 GLN 7 ASP 8 ASP 9 PRO 10 ARG 11 TYR 12 THR 13 LYS 14 PHE 15 LEU 16 THR 17 GLN 18 HIS 19 TYR 20 ASP 21 ALA 22 LYS 23 PRO 24 LYS 25 GLY 26 ARG 27 ASP 28 ALA 29 ARG 30 TYR 31 CYS 32 GLU 33 SER 34 MET 35 MET 36 ARG 37 ARG 38 ARG 39 GLY 40 LEU 41 THR 42 SER 43 PRO 44 CYS 45 LYS 46 GLU 47 VAL 48 ASN 49 THR 50 PHE 51 ILE 52 HIS 53 GLY 54 ASN 55 LYS 56 GLY 57 SER 58 ILE 59 LYS 60 ALA 61 ILE 62 CYS 63 GLY 64 ALA 65 ASN 66 GLY 67 SER 68 PRO 69 TYR 70 GLY 71 GLU 72 ASN 73 LEU 74 ARG 75 ILE 76 SER 77 GLN 78 SER 79 PRO 80 PHE 81 GLN 82 ILE 83 THR 84 THR 85 CYS 86 LYS 87 HIS 88 THR 89 GLY 90 GLY 91 SER 92 PRO 93 ARG 94 PRO 95 PRO 96 CYS 97 ARG 98 TYR 99 ARG 100 ALA 101 SER 102 ALA 103 GLY 104 PHE 105 ARG 106 HIS 107 VAL 108 VAL 109 ILE 110 ALA 111 CYS 112 GLU 113 ASN 114 GLY 115 LEU 116 PRO 117 VAL 118 HIS 119 PHE 120 ASP 121 GLU 122 SER 123 PHE 124 ILE 125 SER 126 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 4QFI "The Crystal Structure Of Rat Angiogenin-heparin Complex" 100.00 126 100.00 100.00 1.65e-88 PDB 4QFJ "The Crystal Structure Of Rat Angiogenin-heparin Complex" 100.00 126 100.00 100.00 1.65e-88 GB AAR28758 "angiogenin precursor [Rattus norvegicus]" 99.21 145 98.40 99.20 2.30e-86 GB AAV87193 "angiogenin ribonuclease 1 [Rattus norvegicus]" 99.21 145 98.40 99.20 2.35e-86 GB EDL88436 "ribonuclease, RNase A family 4, isoform CRA_a [Rattus norvegicus]" 99.21 145 98.40 99.20 2.35e-86 GB EDL88438 "ribonuclease, RNase A family 4, isoform CRA_c [Rattus norvegicus]" 99.21 199 98.40 99.20 4.25e-86 REF NP_001006993 "angiogenin precursor [Rattus norvegicus]" 99.21 145 98.40 99.20 2.30e-86 REF XP_006251936 "PREDICTED: angiogenin isoform X1 [Rattus norvegicus]" 99.21 199 98.40 99.20 4.25e-86 TPE CDG32031 "TPA: ribonuclease A a1 [Rattus norvegicus]" 99.21 145 98.40 99.20 2.35e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $angiogenin Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $angiogenin 'recombinant technology' . Escherichia coli . 'pET 28a' 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 $angiogenin 1.0 mM '[U-100% 13C; U-100% 15N]' MES 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 angiogenin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.446 0.001 1 2 2 2 SER HB2 H 3.8 0.002 2 3 2 2 SER HB3 H 3.8 0.001 2 4 2 2 SER C C 174.216 0.008 1 5 2 2 SER CA C 58.393 0.004 1 6 2 2 SER CB C 64.087 0.008 1 7 3 3 HIS H H 8.599 0.022 1 8 3 3 HIS HA H 4.667 0.002 1 9 3 3 HIS HB2 H 3.172 0.001 2 10 3 3 HIS HB3 H 3.098 0.003 2 11 3 3 HIS C C 174.628 0.004 1 12 3 3 HIS CA C 55.94 0.001 1 13 3 3 HIS CB C 29.525 0.095 1 14 3 3 HIS N N 121.104 0.073 1 15 4 4 MET H H 8.392 0.024 1 16 4 4 MET HA H 4.41 0.002 1 17 4 4 MET HB2 H 2.009 0.014 2 18 4 4 MET HB3 H 1.933 0.008 2 19 4 4 MET HG2 H 2.514 0.001 2 20 4 4 MET HG3 H 2.461 0.001 2 21 4 4 MET HE H 1.576 0.001 1 22 4 4 MET C C 175.792 0.021 1 23 4 4 MET CA C 55.498 0.037 1 24 4 4 MET CB C 32.94 0.133 1 25 4 4 MET CG C 32.049 0.009 1 26 4 4 MET CE C 20.971 0.001 1 27 4 4 MET N N 122.305 0.102 1 28 5 5 ALA H H 8.434 0.024 1 29 5 5 ALA HA H 4.26 0.003 1 30 5 5 ALA HB H 1.383 0.001 1 31 5 5 ALA C C 177.548 0.008 1 32 5 5 ALA CA C 52.918 0.037 1 33 5 5 ALA CB C 19.082 0.063 1 34 5 5 ALA N N 126.131 0.043 1 35 6 6 GLN H H 8.377 0.024 1 36 6 6 GLN HA H 4.323 0.002 1 37 6 6 GLN HB2 H 2.106 0.001 2 38 6 6 GLN HB3 H 1.958 0.001 2 39 6 6 GLN HG2 H 2.349 0.004 2 40 6 6 GLN HG3 H 2.349 0.003 2 41 6 6 GLN HE21 H 7.54 0.035 2 42 6 6 GLN HE22 H 6.852 0.035 2 43 6 6 GLN C C 175.51 0.010 1 44 6 6 GLN CA C 55.872 0.069 1 45 6 6 GLN CB C 29.626 0.106 1 46 6 6 GLN CG C 33.728 0.162 1 47 6 6 GLN N N 119.035 0.054 1 48 6 6 GLN NE2 N 112.408 0.210 1 49 7 7 ASP H H 8.296 0.024 1 50 7 7 ASP HA H 4.631 0.002 1 51 7 7 ASP HB2 H 2.613 0.001 2 52 7 7 ASP HB3 H 2.532 0.001 2 53 7 7 ASP C C 175.819 0.014 1 54 7 7 ASP CA C 54.093 0.053 1 55 7 7 ASP CB C 41.805 0.076 1 56 7 7 ASP N N 121.195 0.032 1 57 8 8 ASP H H 8.346 0.025 1 58 8 8 ASP HA H 4.747 0.001 1 59 8 8 ASP HB2 H 3.241 0.002 2 60 8 8 ASP HB3 H 3.241 0.002 2 61 8 8 ASP C C 175.817 0.025 1 62 8 8 ASP CA C 52.399 0.139 1 63 8 8 ASP CB C 42.895 0.010 1 64 8 8 ASP N N 123.174 0.026 1 65 9 9 PRO HA H 4.5 0.001 1 66 9 9 PRO HB2 H 2.434 0.001 2 67 9 9 PRO HB3 H 2.051 0.020 2 68 9 9 PRO HG2 H 2.103 0.004 2 69 9 9 PRO HG3 H 2.103 0.004 2 70 9 9 PRO HD2 H 4.016 0.002 2 71 9 9 PRO HD3 H 4.016 0.002 2 72 9 9 PRO C C 179.305 0.001 1 73 9 9 PRO CA C 65.013 0.125 1 74 9 9 PRO CB C 32.346 0.043 1 75 9 9 PRO CG C 27.606 0.007 1 76 9 9 PRO CD C 51.597 0.008 1 77 10 10 ARG H H 9.024 0.023 1 78 10 10 ARG HA H 4.19 0.003 1 79 10 10 ARG HB2 H 2.008 0.001 2 80 10 10 ARG HB3 H 2.008 0.001 2 81 10 10 ARG HG2 H 1.945 0.001 2 82 10 10 ARG HG3 H 1.945 0.001 2 83 10 10 ARG HD2 H 2.99 0.001 2 84 10 10 ARG HD3 H 2.99 0.001 2 85 10 10 ARG C C 180.177 0.005 1 86 10 10 ARG CA C 59.654 0.212 1 87 10 10 ARG CB C 30.301 0.043 1 88 10 10 ARG CG C 27.283 0.125 1 89 10 10 ARG CD C 43.851 0.253 1 90 10 10 ARG N N 118.343 0.026 1 91 11 11 TYR H H 8.139 0.023 1 92 11 11 TYR HA H 5.265 0.003 1 93 11 11 TYR HB2 H 3.209 0.001 2 94 11 11 TYR HB3 H 3.111 0.001 2 95 11 11 TYR C C 177.257 0.015 1 96 11 11 TYR CA C 58.462 0.002 1 97 11 11 TYR CB C 38.846 0.010 1 98 11 11 TYR N N 123.421 0.058 1 99 12 12 THR H H 8.117 0.026 1 100 12 12 THR HA H 3.635 0.003 1 101 12 12 THR HB H 4.216 0.002 1 102 12 12 THR HG2 H 1.221 0.001 1 103 12 12 THR C C 177.331 0.002 1 104 12 12 THR CA C 67.023 0.143 1 105 12 12 THR CB C 68.26 0.048 1 106 12 12 THR CG2 C 22.38 0.143 1 107 12 12 THR N N 115.863 0.092 1 108 13 13 LYS H H 8.07 0.024 1 109 13 13 LYS HA H 4.102 0.003 1 110 13 13 LYS HB2 H 1.919 0.002 2 111 13 13 LYS HB3 H 1.919 0.002 2 112 13 13 LYS HG2 H 1.565 0.002 2 113 13 13 LYS HG3 H 1.383 0.001 2 114 13 13 LYS HD2 H 1.726 0.001 2 115 13 13 LYS HD3 H 1.657 0.001 2 116 13 13 LYS HE2 H 3.007 0.001 2 117 13 13 LYS HE3 H 3.007 0.001 2 118 13 13 LYS C C 177.515 0.008 1 119 13 13 LYS CA C 60.257 0.118 1 120 13 13 LYS CB C 32.224 0.006 1 121 13 13 LYS CG C 25.161 0.003 1 122 13 13 LYS CD C 29.685 0.143 1 123 13 13 LYS CE C 42.25 0.135 1 124 13 13 LYS N N 122.17 0.076 1 125 14 14 PHE H H 7.889 0.024 1 126 14 14 PHE HA H 4.348 0.001 1 127 14 14 PHE HB2 H 3.055 0.001 2 128 14 14 PHE HB3 H 3.055 0.001 2 129 14 14 PHE C C 177.499 0.007 1 130 14 14 PHE CA C 62.166 0.057 1 131 14 14 PHE CB C 38.975 0.011 1 132 14 14 PHE N N 121.597 0.133 1 133 15 15 LEU H H 8.481 0.024 1 134 15 15 LEU HA H 3.961 0.002 1 135 15 15 LEU HB2 H 1.985 0.001 2 136 15 15 LEU HB3 H 1.437 0.007 2 137 15 15 LEU HG H 1.309 0.002 1 138 15 15 LEU HD1 H 0.637 0.003 2 139 15 15 LEU HD2 H 0.428 0.001 2 140 15 15 LEU C C 180.698 0.010 1 141 15 15 LEU CA C 57.595 0.072 1 142 15 15 LEU CB C 41.763 0.131 1 143 15 15 LEU CG C 25.992 0.060 1 144 15 15 LEU CD1 C 22.73 0.267 2 145 15 15 LEU CD2 C 22.586 0.038 2 146 15 15 LEU N N 119.915 0.079 1 147 16 16 THR H H 8.464 0.024 1 148 16 16 THR HA H 3.965 0.006 1 149 16 16 THR HB H 4.348 0.002 1 150 16 16 THR HG2 H 1.3 0.001 1 151 16 16 THR C C 176.159 0.013 1 152 16 16 THR CA C 66.613 0.053 1 153 16 16 THR CB C 69.198 0.076 1 154 16 16 THR CG2 C 22.284 0.024 1 155 16 16 THR N N 117.88 0.060 1 156 17 17 GLN H H 8.115 0.026 1 157 17 17 GLN HA H 3.864 0.003 1 158 17 17 GLN HB2 H 1.511 0.009 2 159 17 17 GLN HB3 H 1.228 0.004 2 160 17 17 GLN HG2 H 2.611 0.024 2 161 17 17 GLN HG3 H 1.875 0.024 2 162 17 17 GLN HE21 H 7.067 0.041 2 163 17 17 GLN HE22 H 6.665 0.041 2 164 17 17 GLN C C 175.268 0.006 1 165 17 17 GLN CA C 58.135 0.117 1 166 17 17 GLN CB C 28.631 0.108 1 167 17 17 GLN CG C 34.258 0.466 1 168 17 17 GLN N N 115.879 0.055 1 169 17 17 GLN NE2 N 110.442 0.118 1 170 18 18 HIS H H 8.033 0.023 1 171 18 18 HIS HA H 4.743 0.013 1 172 18 18 HIS HB2 H 3.153 0.001 2 173 18 18 HIS HB3 H 3.153 0.012 2 174 18 18 HIS C C 174.299 0.013 1 175 18 18 HIS CA C 54.929 0.232 1 176 18 18 HIS CB C 28.73 0.010 1 177 18 18 HIS N N 106.685 0.072 1 178 19 19 TYR H H 8.388 0.023 1 179 19 19 TYR HA H 5.676 0.003 1 180 19 19 TYR HB2 H 3.367 0.001 2 181 19 19 TYR HB3 H 2.658 0.001 2 182 19 19 TYR C C 174.39 0.015 1 183 19 19 TYR CA C 56.874 0.149 1 184 19 19 TYR CB C 42.149 0.039 1 185 19 19 TYR N N 120.4 0.144 1 186 20 20 ASP H H 8.195 0.022 1 187 20 20 ASP HA H 4.428 0.001 1 188 20 20 ASP HB2 H 2.237 0.001 2 189 20 20 ASP HB3 H 2.237 0.001 2 190 20 20 ASP C C 174.714 0.006 1 191 20 20 ASP CA C 53.801 0.051 1 192 20 20 ASP CB C 42.115 0.046 1 193 20 20 ASP N N 127.605 0.060 1 194 21 21 ALA H H 8.289 0.023 1 195 21 21 ALA HA H 4.05 0.001 1 196 21 21 ALA HB H 1.538 0.001 1 197 21 21 ALA C C 178.807 0.003 1 198 21 21 ALA CA C 56.796 0.083 1 199 21 21 ALA CB C 20.311 0.035 1 200 21 21 ALA N N 129.022 0.047 1 201 22 22 LYS H H 8.35 0.025 1 202 22 22 LYS HA H 4.629 0.001 1 203 22 22 LYS HB2 H 1.681 0.002 2 204 22 22 LYS HB3 H 1.51 0.001 2 205 22 22 LYS HG2 H 1.226 0.003 2 206 22 22 LYS HG3 H 1.226 0.003 2 207 22 22 LYS HD2 H 1.617 0.005 2 208 22 22 LYS HD3 H 1.617 0.005 2 209 22 22 LYS HE2 H 2.926 0.001 2 210 22 22 LYS HE3 H 2.926 0.001 2 211 22 22 LYS C C 172.508 0.003 1 212 22 22 LYS CA C 53.226 0.043 1 213 22 22 LYS CB C 33.255 0.095 1 214 22 22 LYS CG C 24.732 0.007 1 215 22 22 LYS CD C 29.676 0.012 1 216 22 22 LYS CE C 42.386 0.033 1 217 22 22 LYS N N 116.872 0.043 1 218 23 23 PRO HA H 4.443 0.008 1 219 23 23 PRO HB2 H 2.423 0.001 2 220 23 23 PRO HB3 H 1.902 0.001 2 221 23 23 PRO HG2 H 2.101 0.067 2 222 23 23 PRO HG3 H 2.101 0.067 2 223 23 23 PRO HD2 H 3.878 0.001 2 224 23 23 PRO HD3 H 3.815 0.001 2 225 23 23 PRO C C 175.278 0.003 1 226 23 23 PRO CA C 64.676 0.019 1 227 23 23 PRO CB C 32.31 0.003 1 228 23 23 PRO CG C 28.131 0.003 1 229 23 23 PRO CD C 51.321 0.007 1 230 24 24 LYS H H 8.164 0.023 1 231 24 24 LYS HA H 4.406 0.001 1 232 24 24 LYS HB2 H 2.526 0.001 2 233 24 24 LYS HB3 H 2.227 0.001 2 234 24 24 LYS HG2 H 1.811 0.001 2 235 24 24 LYS HG3 H 1.811 0.001 2 236 24 24 LYS HD2 H 1.879 0.001 2 237 24 24 LYS HD3 H 1.879 0.001 2 238 24 24 LYS C C 173.923 0.024 1 239 24 24 LYS CA C 57.7 0.094 1 240 24 24 LYS CB C 41.698 0.034 1 241 24 24 LYS N N 126.169 0.038 1 242 25 25 GLY H H 7.754 0.023 1 243 25 25 GLY HA2 H 4.001 0.001 1 244 25 25 GLY HA3 H 3.561 0.001 1 245 25 25 GLY C C 171.628 0.007 1 246 25 25 GLY CA C 45.284 0.032 1 247 25 25 GLY N N 111.998 0.033 1 248 26 26 ARG H H 7.541 0.028 1 249 26 26 ARG HA H 3.674 0.006 1 250 26 26 ARG HB2 H 2.027 0.003 2 251 26 26 ARG HB3 H 1.247 0.021 2 252 26 26 ARG HG2 H 1.048 0.001 2 253 26 26 ARG HG3 H 0.827 0.001 2 254 26 26 ARG HD2 H 2.613 0.001 2 255 26 26 ARG HD3 H 2.613 0.001 2 256 26 26 ARG C C 173.48 0.004 1 257 26 26 ARG CA C 54.846 0.119 1 258 26 26 ARG CB C 28.945 0.102 1 259 26 26 ARG CG C 22.368 0.217 1 260 26 26 ARG N N 113.589 0.074 1 261 27 27 ASP H H 7.707 0.023 1 262 27 27 ASP HA H 4.745 0.001 1 263 27 27 ASP HB2 H 3.244 0.002 2 264 27 27 ASP HB3 H 2.613 0.001 2 265 27 27 ASP C C 176.229 0.016 1 266 27 27 ASP CA C 51.974 0.045 1 267 27 27 ASP CB C 43.085 0.129 1 268 27 27 ASP N N 117.586 0.080 1 269 28 28 ALA H H 8.529 0.023 1 270 28 28 ALA HA H 3.752 0.011 1 271 28 28 ALA HB H 1.671 0.001 1 272 28 28 ALA C C 179.274 0.005 1 273 28 28 ALA CA C 56.973 0.089 1 274 28 28 ALA CB C 18.836 0.020 1 275 28 28 ALA N N 123.364 0.043 1 276 29 29 ARG H H 7.745 0.024 1 277 29 29 ARG HA H 4.012 0.003 1 278 29 29 ARG HB2 H 1.91 0.001 2 279 29 29 ARG HB3 H 1.91 0.001 2 280 29 29 ARG HG2 H 1.65 0.001 2 281 29 29 ARG HG3 H 1.593 0.001 2 282 29 29 ARG HD2 H 3.143 0.001 2 283 29 29 ARG HD3 H 3.03 0.001 2 284 29 29 ARG C C 179.384 0.014 1 285 29 29 ARG CA C 59.668 0.174 1 286 29 29 ARG CB C 29.481 0.016 1 287 29 29 ARG CG C 27.317 0.089 1 288 29 29 ARG CD C 43.79 0.093 1 289 29 29 ARG N N 116.577 0.041 1 290 30 30 TYR H H 7.935 0.023 1 291 30 30 TYR HA H 4.115 0.003 1 292 30 30 TYR HB2 H 3.468 0.001 2 293 30 30 TYR HB3 H 3.108 0.001 2 294 30 30 TYR C C 176.955 0.008 1 295 30 30 TYR CA C 61.414 0.104 1 296 30 30 TYR CB C 37.207 0.007 1 297 30 30 TYR N N 122.466 0.054 1 298 31 31 CYS H H 8.402 0.025 1 299 31 31 CYS HA H 3.756 0.003 1 300 31 31 CYS HB2 H 3.092 0.001 2 301 31 31 CYS HB3 H 2.295 0.001 2 302 31 31 CYS C C 176.21 0.012 1 303 31 31 CYS CA C 60.592 0.033 1 304 31 31 CYS CB C 39.768 0.006 1 305 31 31 CYS N N 116.69 0.052 1 306 32 32 GLU H H 8.923 0.022 1 307 32 32 GLU HA H 3.825 0.001 1 308 32 32 GLU HB2 H 2.194 0.023 2 309 32 32 GLU HB3 H 2.135 0.018 2 310 32 32 GLU HG2 H 2.864 0.012 2 311 32 32 GLU HG3 H 2.769 0.012 2 312 32 32 GLU C C 179.077 0.005 1 313 32 32 GLU CA C 60.898 0.212 1 314 32 32 GLU CB C 28.971 0.176 1 315 32 32 GLU CG C 38.656 0.120 1 316 32 32 GLU N N 118.656 0.057 1 317 33 33 SER H H 7.845 0.025 1 318 33 33 SER HA H 4.465 0.001 1 319 33 33 SER HB2 H 3.839 0.003 2 320 33 33 SER HB3 H 3.839 0.018 2 321 33 33 SER C C 176.909 0.002 1 322 33 33 SER CA C 60.883 0.006 1 323 33 33 SER CB C 63.204 0.074 1 324 33 33 SER N N 113.133 0.077 1 325 34 34 MET H H 8.521 0.025 1 326 34 34 MET HA H 4.075 0.006 1 327 34 34 MET HB2 H 1.132 0.005 2 328 34 34 MET HB3 H 0.863 0.010 2 329 34 34 MET HG2 H 1.549 0.011 2 330 34 34 MET HG3 H 1.549 0.011 2 331 34 34 MET HE H 0.973 0.001 1 332 34 34 MET C C 178.695 0.013 1 333 34 34 MET CA C 56.221 0.167 1 334 34 34 MET CB C 30.159 0.104 1 335 34 34 MET CG C 32.035 0.056 1 336 34 34 MET CE C 25.305 0.120 1 337 34 34 MET N N 121.105 0.055 1 338 35 35 MET H H 8.48 0.023 1 339 35 35 MET HA H 4.196 0.011 1 340 35 35 MET HB2 H 1.622 0.009 2 341 35 35 MET HB3 H 1.368 0.015 2 342 35 35 MET HG2 H 1.802 0.023 2 343 35 35 MET HG3 H 1.802 0.023 2 344 35 35 MET HE H 1.223 0.001 1 345 35 35 MET C C 178.32 0.001 1 346 35 35 MET CA C 56.969 0.080 1 347 35 35 MET CB C 29.331 0.227 1 348 35 35 MET CG C 33.253 0.145 1 349 35 35 MET CE C 24.928 0.157 1 350 35 35 MET N N 116.132 0.062 1 351 36 36 ARG H H 6.762 0.023 1 352 36 36 ARG HA H 4.19 0.008 1 353 36 36 ARG HB2 H 1.902 0.003 2 354 36 36 ARG HB3 H 1.861 0.047 2 355 36 36 ARG HG2 H 1.754 0.001 2 356 36 36 ARG HG3 H 1.574 0.001 2 357 36 36 ARG HD2 H 3.248 0.003 2 358 36 36 ARG HD3 H 3.248 0.003 2 359 36 36 ARG C C 180.358 0.003 1 360 36 36 ARG CA C 59.178 0.145 1 361 36 36 ARG CB C 30.51 0.046 1 362 36 36 ARG CG C 27.495 0.055 1 363 36 36 ARG CD C 43.626 0.043 1 364 36 36 ARG N N 116.72 0.091 1 365 37 37 ARG H H 8.536 0.025 1 366 37 37 ARG HA H 4.013 0.001 1 367 37 37 ARG HB2 H 1.895 0.047 2 368 37 37 ARG HB3 H 1.895 0.047 2 369 37 37 ARG HG2 H 1.685 0.038 2 370 37 37 ARG HG3 H 1.685 0.038 2 371 37 37 ARG HD2 H 3.235 0.002 2 372 37 37 ARG HD3 H 3.235 0.002 2 373 37 37 ARG C C 178.554 0.020 1 374 37 37 ARG CA C 59.581 0.176 1 375 37 37 ARG CB C 30.49 0.088 1 376 37 37 ARG CG C 27.558 0.145 1 377 37 37 ARG CD C 43.548 0.046 1 378 37 37 ARG N N 121.371 0.093 1 379 38 38 ARG H H 8.121 0.023 1 380 38 38 ARG HA H 4.31 0.062 1 381 38 38 ARG HB2 H 2.28 0.023 2 382 38 38 ARG HB3 H 1.733 0.016 2 383 38 38 ARG HG2 H 1.9 0.002 2 384 38 38 ARG HG3 H 1.9 0.002 2 385 38 38 ARG HD2 H 3.239 0.042 2 386 38 38 ARG HD3 H 3.121 0.036 2 387 38 38 ARG C C 175.723 0.015 1 388 38 38 ARG CA C 53.429 0.062 1 389 38 38 ARG CB C 28.229 0.073 1 390 38 38 ARG CG C 27.723 0.089 1 391 38 38 ARG CD C 43.748 0.143 1 392 38 38 ARG N N 113.384 0.050 1 393 39 39 GLY H H 7.54 0.022 1 394 39 39 GLY HA2 H 3.963 0.020 1 395 39 39 GLY HA3 H 3.963 0.020 1 396 39 39 GLY C C 176.561 0.009 1 397 39 39 GLY CA C 47.219 0.023 1 398 39 39 GLY N N 106.464 0.074 1 399 40 40 LEU H H 8.236 0.026 1 400 40 40 LEU HA H 4.707 0.004 1 401 40 40 LEU HB2 H 1.707 0.003 2 402 40 40 LEU HB3 H 1.613 0.002 2 403 40 40 LEU HG H 1.315 0.003 1 404 40 40 LEU HD1 H 0.71 0.001 2 405 40 40 LEU HD2 H 0.639 0.001 2 406 40 40 LEU C C 175.15 0.017 1 407 40 40 LEU CA C 54.028 0.039 1 408 40 40 LEU CB C 41.271 0.088 1 409 40 40 LEU CG C 26.462 0.006 1 410 40 40 LEU CD1 C 25.474 0.046 2 411 40 40 LEU CD2 C 23.066 0.007 2 412 40 40 LEU N N 119.864 0.063 1 413 41 41 THR H H 7.234 0.024 1 414 41 41 THR HA H 4.652 0.001 1 415 41 41 THR HB H 4.79 0.005 1 416 41 41 THR HG2 H 0.77 0.002 1 417 41 41 THR C C 173.057 0.009 1 418 41 41 THR CA C 60.662 0.062 1 419 41 41 THR CB C 69.667 0.046 1 420 41 41 THR CG2 C 35.093 0.012 1 421 41 41 THR N N 102.515 0.058 1 422 42 42 SER H H 7.62 0.023 1 423 42 42 SER HA H 4.822 0.001 1 424 42 42 SER HB2 H 3.797 0.001 2 425 42 42 SER HB3 H 3.601 0.001 2 426 42 42 SER C C 172.501 0.260 1 427 42 42 SER CA C 54.347 0.024 1 428 42 42 SER CB C 63.732 0.006 1 429 42 42 SER N N 115.46 0.045 1 430 43 43 PRO HA H 4.73 0.001 1 431 43 43 PRO HB2 H 2.182 0.003 2 432 43 43 PRO HB3 H 2.182 0.003 2 433 43 43 PRO HG2 H 1.894 0.001 2 434 43 43 PRO HG3 H 1.894 0.001 2 435 43 43 PRO HD2 H 4.221 0.001 2 436 43 43 PRO HD3 H 4.221 0.001 2 437 43 43 PRO C C 175.687 0.014 1 438 43 43 PRO CA C 63.399 0.067 1 439 43 43 PRO CB C 34.662 0.010 1 440 43 43 PRO CG C 23.059 0.073 1 441 43 43 PRO CD C 41.109 0.095 1 442 44 44 CYS H H 7.721 0.024 1 443 44 44 CYS HA H 4.102 0.010 1 444 44 44 CYS HB2 H 2.15 0.001 2 445 44 44 CYS HB3 H 1.688 0.010 2 446 44 44 CYS C C 174.795 0.008 1 447 44 44 CYS CA C 54.99 0.141 1 448 44 44 CYS CB C 35.158 0.064 1 449 44 44 CYS N N 112.971 0.092 1 450 45 45 LYS H H 8.016 0.023 1 451 45 45 LYS HA H 4.074 0.001 1 452 45 45 LYS HB2 H 1.89 0.001 2 453 45 45 LYS HB3 H 1.572 0.001 2 454 45 45 LYS HG2 H 0.974 0.004 2 455 45 45 LYS HG3 H 0.974 0.004 2 456 45 45 LYS HD2 H 1.332 0.193 2 457 45 45 LYS HD3 H 1.332 0.193 2 458 45 45 LYS HE2 H 3.502 0.008 2 459 45 45 LYS HE3 H 3.502 0.008 2 460 45 45 LYS C C 178.768 0.007 1 461 45 45 LYS CA C 57.543 0.078 1 462 45 45 LYS CB C 32.808 0.078 1 463 45 45 LYS CG C 26.084 0.037 1 464 45 45 LYS CD C 29.866 0.021 1 465 45 45 LYS CE C 42.037 0.139 1 466 45 45 LYS N N 128.848 0.085 1 467 46 46 GLU H H 8.894 0.023 1 468 46 46 GLU HA H 4.133 0.002 1 469 46 46 GLU HB2 H 2.163 0.004 2 470 46 46 GLU HB3 H 2.163 0.004 2 471 46 46 GLU HG2 H 2.423 0.023 2 472 46 46 GLU HG3 H 2.423 0.023 2 473 46 46 GLU C C 176.601 0.006 1 474 46 46 GLU CA C 60.371 0.043 1 475 46 46 GLU CB C 29.83 0.177 1 476 46 46 GLU CG C 36.025 0.009 1 477 46 46 GLU N N 126.953 0.056 1 478 47 47 VAL H H 7.665 0.023 1 479 47 47 VAL HA H 5.18 0.001 1 480 47 47 VAL HB H 2.04 0.001 1 481 47 47 VAL HG1 H 0.906 0.021 2 482 47 47 VAL HG2 H 0.849 0.023 2 483 47 47 VAL C C 173.711 0.013 1 484 47 47 VAL CA C 60.502 0.024 1 485 47 47 VAL CB C 34.634 0.032 1 486 47 47 VAL CG1 C 22.315 0.176 2 487 47 47 VAL CG2 C 19.967 0.152 2 488 47 47 VAL N N 116.01 0.072 1 489 48 48 ASN H H 8.601 0.026 1 490 48 48 ASN HA H 4.83 0.002 1 491 48 48 ASN HB2 H 2.323 0.004 2 492 48 48 ASN HB3 H 1.94 0.003 2 493 48 48 ASN C C 174.359 0.011 1 494 48 48 ASN CA C 54.464 0.098 1 495 48 48 ASN CB C 45.042 0.017 1 496 48 48 ASN N N 122.997 0.043 1 497 49 49 THR H H 10.443 0.021 1 498 49 49 THR HA H 4.845 0.001 1 499 49 49 THR HB H 3.182 0.003 1 500 49 49 THR HG2 H 0.686 0.013 1 501 49 49 THR C C 173.325 0.018 1 502 49 49 THR CA C 63.011 0.067 1 503 49 49 THR CB C 67.967 0.145 1 504 49 49 THR CG2 C 23.053 0.176 1 505 49 49 THR N N 129.26 0.057 1 506 50 50 PHE H H 9.189 0.025 1 507 50 50 PHE HA H 4.253 0.002 1 508 50 50 PHE HB2 H 2.871 0.004 2 509 50 50 PHE HB3 H 2.499 0.021 2 510 50 50 PHE C C 172.47 0.013 1 511 50 50 PHE CA C 57.786 0.095 1 512 50 50 PHE CB C 42.099 0.015 1 513 50 50 PHE N N 125.716 0.059 1 514 51 51 ILE H H 8.834 0.024 1 515 51 51 ILE HA H 4.118 0.001 1 516 51 51 ILE HB H 1.653 0.002 1 517 51 51 ILE HG12 H 1.601 0.001 1 518 51 51 ILE HG13 H 1.601 0.001 1 519 51 51 ILE HG2 H 0.969 0.003 1 520 51 51 ILE HD1 H 0.76 0.012 1 521 51 51 ILE C C 174.132 0.022 1 522 51 51 ILE CA C 60.603 0.035 1 523 51 51 ILE CB C 40.446 0.158 1 524 51 51 ILE CG1 C 27.614 0.059 1 525 51 51 ILE CG2 C 19.03 0.001 1 526 51 51 ILE CD1 C 14.691 0.003 1 527 51 51 ILE N N 122.147 0.054 1 528 52 52 HIS H H 8.407 0.024 1 529 52 52 HIS HA H 5.62 0.001 1 530 52 52 HIS HB2 H 3.028 0.001 2 531 52 52 HIS HB3 H 3.028 0.003 2 532 52 52 HIS C C 175.457 0.009 1 533 52 52 HIS CA C 52.49 0.118 1 534 52 52 HIS CB C 30.37 0.038 1 535 52 52 HIS N N 124.778 0.095 1 536 53 53 GLY H H 8.517 0.025 1 537 53 53 GLY HA2 H 4.78 0.001 1 538 53 53 GLY HA3 H 3.974 0.003 1 539 53 53 GLY C C 173.299 0.015 1 540 53 53 GLY CA C 44.461 0.011 1 541 53 53 GLY N N 107.845 0.067 1 542 54 54 ASN H H 9.011 0.029 1 543 54 54 ASN HA H 4.893 0.024 1 544 54 54 ASN HB2 H 2.982 0.001 2 545 54 54 ASN HB3 H 2.982 0.001 2 546 54 54 ASN HD21 H 7.807 0.042 2 547 54 54 ASN HD22 H 7.128 0.041 2 548 54 54 ASN C C 176.313 0.008 1 549 54 54 ASN CA C 53.779 0.049 1 550 54 54 ASN CB C 39.954 0.046 1 551 54 54 ASN N N 122.147 0.065 1 552 54 54 ASN ND2 N 114.414 0.211 1 553 55 55 LYS H H 8.962 0.025 1 554 55 55 LYS HA H 3.485 0.001 1 555 55 55 LYS HB2 H 1.832 0.002 2 556 55 55 LYS HB3 H 1.577 0.001 2 557 55 55 LYS HG2 H 1.143 0.040 2 558 55 55 LYS HG3 H 0.977 0.040 2 559 55 55 LYS HD2 H 1.648 0.006 2 560 55 55 LYS HD3 H 1.648 0.006 2 561 55 55 LYS HE2 H 2.974 0.002 2 562 55 55 LYS HE3 H 2.974 0.002 2 563 55 55 LYS C C 178.748 0.004 1 564 55 55 LYS CA C 60.514 0.014 1 565 55 55 LYS CB C 32.151 0.009 1 566 55 55 LYS CG C 24.437 0.063 1 567 55 55 LYS CD C 30 0.102 1 568 55 55 LYS CE C 42.053 0.022 1 569 55 55 LYS N N 127.992 0.069 1 570 56 56 GLY H H 8.681 0.025 1 571 56 56 GLY HA2 H 4.015 0.001 1 572 56 56 GLY HA3 H 3.769 0.001 1 573 56 56 GLY C C 177.119 0.002 1 574 56 56 GLY CA C 47.235 0.016 1 575 56 56 GLY N N 107.889 0.073 1 576 57 57 SER H H 7.924 0.028 1 577 57 57 SER HA H 4.362 0.001 1 578 57 57 SER HB2 H 4.151 0.002 2 579 57 57 SER HB3 H 4.151 0.001 2 580 57 57 SER C C 175.537 0.001 1 581 57 57 SER CA C 61.54 0.087 1 582 57 57 SER CB C 62.959 0.050 1 583 57 57 SER N N 118.026 0.037 1 584 58 58 ILE H H 7.382 0.025 1 585 58 58 ILE HA H 3.652 0.002 1 586 58 58 ILE HB H 1.865 0.001 1 587 58 58 ILE HG12 H 1.7 0.016 1 588 58 58 ILE HG13 H 1.7 0.016 1 589 58 58 ILE HG2 H 0.746 0.001 1 590 58 58 ILE HD1 H 0.497 0.027 1 591 58 58 ILE C C 178.079 0.009 1 592 58 58 ILE CA C 64.233 0.076 1 593 58 58 ILE CB C 37.823 0.046 1 594 58 58 ILE CG1 C 29.411 0.013 1 595 58 58 ILE CG2 C 17.331 0.002 1 596 58 58 ILE CD1 C 15.926 0.005 1 597 58 58 ILE N N 121.61 0.045 1 598 59 59 LYS H H 7.818 0.023 1 599 59 59 LYS HA H 3.525 0.001 1 600 59 59 LYS HB2 H 1.862 0.001 2 601 59 59 LYS HB3 H 1.792 0.001 2 602 59 59 LYS HG2 H 1.371 0.004 2 603 59 59 LYS HG3 H 1.262 0.015 2 604 59 59 LYS HD2 H 1.567 0.002 2 605 59 59 LYS HD3 H 1.567 0.002 2 606 59 59 LYS HE2 H 2.756 0.004 2 607 59 59 LYS HE3 H 2.756 0.004 2 608 59 59 LYS C C 178.538 0.003 1 609 59 59 LYS CA C 60.3 0.040 1 610 59 59 LYS CB C 31.774 0.016 1 611 59 59 LYS CG C 25.221 0.054 1 612 59 59 LYS CD C 30.095 0.024 1 613 59 59 LYS CE C 41.972 0.063 1 614 59 59 LYS N N 119.319 0.052 1 615 60 60 ALA H H 7.663 0.024 1 616 60 60 ALA HA H 4.208 0.022 1 617 60 60 ALA HB H 1.548 0.022 1 618 60 60 ALA C C 180.096 0.013 1 619 60 60 ALA CA C 53.939 0.030 1 620 60 60 ALA CB C 18.28 0.017 1 621 60 60 ALA N N 116.642 0.033 1 622 61 61 ILE H H 8.008 0.023 1 623 61 61 ILE HA H 3.265 0.001 1 624 61 61 ILE HB H 1.746 0.001 1 625 61 61 ILE HG12 H 0.959 0.024 1 626 61 61 ILE HG13 H 0.959 0.024 1 627 61 61 ILE HG2 H 0.543 0.001 1 628 61 61 ILE HD1 H 0.63 0.002 1 629 61 61 ILE C C 177.453 0.010 1 630 61 61 ILE CA C 64.982 0.012 1 631 61 61 ILE CB C 37.487 0.034 1 632 61 61 ILE CG1 C 28.465 0.025 1 633 61 61 ILE CG2 C 17.698 0.023 1 634 61 61 ILE CD1 C 14.524 0.035 1 635 61 61 ILE N N 125.154 0.041 1 636 62 62 CYS H H 7.46 0.023 1 637 62 62 CYS HA H 4.189 0.024 1 638 62 62 CYS HB2 H 2.777 0.001 2 639 62 62 CYS HB3 H 2.777 0.001 2 640 62 62 CYS C C 174.082 0.017 1 641 62 62 CYS CA C 53.943 0.052 1 642 62 62 CYS CB C 38.136 0.020 1 643 62 62 CYS N N 114.54 0.045 1 644 63 63 GLY H H 7.531 0.025 1 645 63 63 GLY HA2 H 4.256 0.035 1 646 63 63 GLY HA3 H 3.489 0.035 1 647 63 63 GLY C C 174.221 0.018 1 648 63 63 GLY CA C 45.239 0.032 1 649 63 63 GLY N N 110.987 0.070 1 650 64 64 ALA H H 8.838 0.025 1 651 64 64 ALA HA H 4.197 0.017 1 652 64 64 ALA HB H 1.431 0.052 1 653 64 64 ALA C C 177.413 0.006 1 654 64 64 ALA CA C 54.665 0.085 1 655 64 64 ALA CB C 18.887 0.033 1 656 64 64 ALA N N 128.699 0.057 1 657 65 65 ASN H H 7.963 0.024 1 658 65 65 ASN HA H 5.166 0.018 1 659 65 65 ASN HB2 H 2.754 0.025 2 660 65 65 ASN HB3 H 2.343 0.017 2 661 65 65 ASN HD21 H 7.474 0.040 2 662 65 65 ASN HD22 H 6.924 0.038 2 663 65 65 ASN C C 174.792 0.005 1 664 65 65 ASN CA C 51.8 0.034 1 665 65 65 ASN CB C 39.074 0.018 1 666 65 65 ASN N N 113.742 0.021 1 667 65 65 ASN ND2 N 109.33 0.143 1 668 66 66 GLY H H 7.767 0.023 1 669 66 66 GLY HA2 H 5.1 0.025 1 670 66 66 GLY HA3 H 4.364 0.014 1 671 66 66 GLY C C 171.657 0.011 1 672 66 66 GLY CA C 44.938 0.010 1 673 66 66 GLY N N 109.89 0.075 1 674 67 67 SER H H 8.649 0.027 1 675 67 67 SER HA H 5.023 0.018 1 676 67 67 SER HB2 H 3.875 0.004 2 677 67 67 SER HB3 H 3.529 0.004 2 678 67 67 SER C C 170.889 0.137 1 679 67 67 SER CA C 56.364 0.009 1 680 67 67 SER CB C 64.572 0.007 1 681 67 67 SER N N 113.443 0.048 1 682 68 68 PRO HA H 4.307 0.001 1 683 68 68 PRO HB2 H 1.472 0.007 2 684 68 68 PRO HB3 H 1.255 0.007 2 685 68 68 PRO HG2 H 1.444 0.004 2 686 68 68 PRO HG3 H 1.444 0.004 2 687 68 68 PRO HD2 H 3.79 0.011 2 688 68 68 PRO HD3 H 3.79 0.011 2 689 68 68 PRO C C 177.672 0.006 1 690 68 68 PRO CA C 62.462 0.022 1 691 68 68 PRO CB C 32.497 0.014 1 692 68 68 PRO CG C 25.809 0.001 1 693 68 68 PRO CD C 42.489 0.109 1 694 69 69 TYR H H 8.1 0.023 1 695 69 69 TYR HA H 4.143 0.006 1 696 69 69 TYR HB2 H 1.75 0.001 2 697 69 69 TYR HB3 H 1.75 0.002 2 698 69 69 TYR C C 176.332 0.011 1 699 69 69 TYR CA C 56.06 0.044 1 700 69 69 TYR CB C 32.621 0.155 1 701 69 69 TYR N N 121.599 0.041 1 702 70 70 GLY H H 7.671 0.027 1 703 70 70 GLY HA2 H 3.623 0.006 1 704 70 70 GLY HA3 H 3.406 0.005 1 705 70 70 GLY C C 173.945 0.017 1 706 70 70 GLY CA C 45.261 0.051 1 707 70 70 GLY N N 109.971 0.078 1 708 71 71 GLU H H 8.566 0.026 1 709 71 71 GLU HA H 4.158 0.004 1 710 71 71 GLU HB2 H 1.909 0.003 2 711 71 71 GLU HB3 H 1.88 0.011 2 712 71 71 GLU HG2 H 2.161 0.004 2 713 71 71 GLU HG3 H 2.161 0.007 2 714 71 71 GLU C C 176.662 0.004 1 715 71 71 GLU CA C 57.187 0.095 1 716 71 71 GLU CB C 28.954 0.045 1 717 71 71 GLU CG C 36.315 0.047 1 718 71 71 GLU N N 122.265 0.065 1 719 72 72 ASN H H 8.27 0.024 1 720 72 72 ASN HA H 4.711 0.001 1 721 72 72 ASN HB2 H 2.913 0.007 2 722 72 72 ASN HB3 H 2.913 0.002 2 723 72 72 ASN HD21 H 7.526 0.042 2 724 72 72 ASN HD22 H 6.834 0.041 2 725 72 72 ASN C C 174.705 0.005 1 726 72 72 ASN CA C 53.977 0.032 1 727 72 72 ASN CB C 38.295 0.050 1 728 72 72 ASN N N 116.188 0.030 1 729 72 72 ASN ND2 N 112.627 0.200 1 730 73 73 LEU H H 7.681 0.023 1 731 73 73 LEU HA H 5.002 0.001 1 732 73 73 LEU HB2 H 2.016 0.007 2 733 73 73 LEU HB3 H 1.411 0.002 2 734 73 73 LEU HG H 0.869 0.004 1 735 73 73 LEU HD1 H 0.87 0.001 2 736 73 73 LEU HD2 H 0.747 0.002 2 737 73 73 LEU C C 177.065 0.004 1 738 73 73 LEU CA C 53.974 0.032 1 739 73 73 LEU CB C 44.4 0.059 1 740 73 73 LEU CG C 26.166 0.006 1 741 73 73 LEU CD1 C 26.93 0.001 2 742 73 73 LEU CD2 C 23.438 0.004 2 743 73 73 LEU N N 118.953 0.052 1 744 74 74 ARG H H 9.195 0.023 1 745 74 74 ARG HA H 5.003 0.006 1 746 74 74 ARG HB2 H 1.494 0.001 2 747 74 74 ARG HB3 H 1.284 0.001 2 748 74 74 ARG HG2 H 1.619 0.001 2 749 74 74 ARG HG3 H 1.44 0.002 2 750 74 74 ARG HD2 H 3.096 0.002 2 751 74 74 ARG HD3 H 3.096 0.002 2 752 74 74 ARG C C 173.217 0.009 1 753 74 74 ARG CA C 54.222 0.160 1 754 74 74 ARG CB C 33.889 0.142 1 755 74 74 ARG CG C 26.315 0.176 1 756 74 74 ARG CD C 44.545 0.054 1 757 74 74 ARG N N 121.517 0.064 1 758 75 75 ILE H H 8.969 0.023 1 759 75 75 ILE HA H 5.077 0.001 1 760 75 75 ILE HB H 0.879 0.002 1 761 75 75 ILE HG12 H 0.968 0.006 1 762 75 75 ILE HG13 H 0.968 0.006 1 763 75 75 ILE HG2 H 0.733 0.001 1 764 75 75 ILE HD1 H 0.298 0.002 1 765 75 75 ILE C C 174.912 0.028 1 766 75 75 ILE CA C 56.995 0.077 1 767 75 75 ILE CB C 40.838 0.036 1 768 75 75 ILE CG1 C 28.414 0.005 1 769 75 75 ILE CG2 C 14.929 0.067 1 770 75 75 ILE CD1 C 14.662 0.060 1 771 75 75 ILE N N 120.256 0.054 1 772 76 76 SER H H 9.019 0.026 1 773 76 76 SER HA H 4.468 0.002 1 774 76 76 SER HB2 H 4 0.003 2 775 76 76 SER HB3 H 4 0.003 2 776 76 76 SER C C 176.33 0.002 1 777 76 76 SER CA C 59.266 0.100 1 778 76 76 SER CB C 65.266 0.013 1 779 76 76 SER N N 122.023 0.053 1 780 77 77 GLN H H 8.349 0.031 1 781 77 77 GLN HA H 4.271 0.004 1 782 77 77 GLN HB2 H 2.173 0.003 2 783 77 77 GLN HB3 H 1.893 0.001 2 784 77 77 GLN HG2 H 2.514 0.007 2 785 77 77 GLN HG3 H 2.229 0.007 2 786 77 77 GLN HE21 H 7.398 0.042 2 787 77 77 GLN HE22 H 7.046 0.045 2 788 77 77 GLN C C 176.643 0.011 1 789 77 77 GLN CA C 58.234 0.048 1 790 77 77 GLN CB C 28.658 0.121 1 791 77 77 GLN CG C 34.579 0.186 1 792 77 77 GLN N N 122.979 0.053 1 793 77 77 GLN NE2 N 111.098 0.222 1 794 78 78 SER H H 8.184 0.023 1 795 78 78 SER HA H 4.877 0.002 1 796 78 78 SER HB2 H 3.696 0.001 2 797 78 78 SER HB3 H 3.521 0.002 2 798 78 78 SER C C 171.06 0.001 1 799 78 78 SER CA C 55.863 0.022 1 800 78 78 SER CB C 64.147 0.025 1 801 78 78 SER N N 113.286 0.046 1 802 79 79 PRO HA H 3.513 0.004 1 803 79 79 PRO HB2 H 0.785 0.003 2 804 79 79 PRO HB3 H 0.785 0.003 2 805 79 79 PRO HG2 H 1.343 0.001 2 806 79 79 PRO HG3 H 1.121 0.005 2 807 79 79 PRO HD2 H 3.325 0.002 2 808 79 79 PRO HD3 H 3.325 0.002 2 809 79 79 PRO C C 173.937 0.010 1 810 79 79 PRO CA C 61.263 0.041 1 811 79 79 PRO CB C 29.685 0.140 1 812 79 79 PRO CG C 27.444 0.008 1 813 79 79 PRO CD C 50.31 0.005 1 814 80 80 PHE H H 8.344 0.025 1 815 80 80 PHE HA H 4.54 0.003 1 816 80 80 PHE HB2 H 3.044 0.006 2 817 80 80 PHE HB3 H 2.64 0.002 2 818 80 80 PHE C C 176.19 0.007 1 819 80 80 PHE CA C 57.41 0.149 1 820 80 80 PHE CB C 43.354 0.035 1 821 80 80 PHE N N 118.502 0.097 1 822 81 81 GLN H H 9.271 0.024 1 823 81 81 GLN HA H 5.033 0.004 1 824 81 81 GLN HB2 H 2.17 0.005 2 825 81 81 GLN HB3 H 2.17 0.005 2 826 81 81 GLN HG2 H 2.645 0.007 2 827 81 81 GLN HG3 H 2.541 0.002 2 828 81 81 GLN HE21 H 7.013 0.041 2 829 81 81 GLN HE22 H 6.62 0.040 2 830 81 81 GLN C C 174.886 0.005 1 831 81 81 GLN CA C 56.448 0.099 1 832 81 81 GLN CB C 28.121 0.146 1 833 81 81 GLN CG C 32.609 0.172 1 834 81 81 GLN N N 120.257 0.056 1 835 81 81 GLN NE2 N 112.136 0.189 1 836 82 82 ILE H H 8.748 0.024 1 837 82 82 ILE HA H 5.304 0.001 1 838 82 82 ILE HB H 1.64 0.002 1 839 82 82 ILE HG12 H 1.428 0.016 1 840 82 82 ILE HG13 H 1.428 0.016 1 841 82 82 ILE HG2 H 0.831 0.002 1 842 82 82 ILE HD1 H 0.816 0.001 1 843 82 82 ILE C C 177.502 0.003 1 844 82 82 ILE CA C 58.975 0.086 1 845 82 82 ILE CB C 43.392 0.051 1 846 82 82 ILE CG1 C 25.206 0.001 1 847 82 82 ILE CG2 C 18.87 0.021 1 848 82 82 ILE CD1 C 15.232 0.030 1 849 82 82 ILE N N 115.98 0.037 1 850 83 83 THR H H 9.372 0.024 1 851 83 83 THR HA H 4.815 0.001 1 852 83 83 THR HB H 4.244 0.002 1 853 83 83 THR HG2 H 1.101 0.004 1 854 83 83 THR C C 173.348 0.002 1 855 83 83 THR CA C 64.216 0.130 1 856 83 83 THR CB C 70.424 0.101 1 857 83 83 THR CG2 C 22.038 0.003 1 858 83 83 THR N N 122.645 0.056 1 859 84 84 THR H H 9.091 0.025 1 860 84 84 THR HA H 4.673 0.002 1 861 84 84 THR HB H 3.809 0.001 1 862 84 84 THR HG2 H 1.102 0.007 1 863 84 84 THR C C 173.614 0.015 1 864 84 84 THR CA C 63.335 0.125 1 865 84 84 THR CB C 69.989 0.026 1 866 84 84 THR CG2 C 22.946 0.132 1 867 84 84 THR N N 125.789 0.114 1 868 85 85 CYS H H 8.916 0.025 1 869 85 85 CYS HA H 5.507 0.006 1 870 85 85 CYS HB2 H 2.987 0.003 2 871 85 85 CYS HB3 H 2.555 0.005 2 872 85 85 CYS C C 173.232 0.008 1 873 85 85 CYS CA C 52.826 0.084 1 874 85 85 CYS CB C 38.399 0.023 1 875 85 85 CYS N N 127.947 0.035 1 876 86 86 LYS H H 9.35 0.024 1 877 86 86 LYS HA H 5.319 0.001 1 878 86 86 LYS HB2 H 1.918 0.001 2 879 86 86 LYS HB3 H 1.648 0.001 2 880 86 86 LYS HG2 H 1.429 0.003 2 881 86 86 LYS HG3 H 1.429 0.003 2 882 86 86 LYS HD2 H 1.722 0.005 2 883 86 86 LYS HD3 H 1.722 0.005 2 884 86 86 LYS HE2 H 2.964 0.002 2 885 86 86 LYS HE3 H 2.964 0.002 2 886 86 86 LYS C C 175.234 0.007 1 887 86 86 LYS CA C 55.139 0.069 1 888 86 86 LYS CB C 35.357 0.015 1 889 86 86 LYS CG C 25.839 0.018 1 890 86 86 LYS CD C 29.425 0.005 1 891 86 86 LYS CE C 42.415 0.020 1 892 86 86 LYS N N 125.174 0.060 1 893 87 87 HIS H H 9.542 0.022 1 894 87 87 HIS HA H 4.203 0.006 1 895 87 87 HIS HB2 H 3.262 0.002 2 896 87 87 HIS HB3 H 3.145 0.004 2 897 87 87 HIS C C 175.075 0.021 1 898 87 87 HIS CA C 55.564 0.082 1 899 87 87 HIS CB C 30.408 0.060 1 900 87 87 HIS N N 128.965 0.083 1 901 88 88 THR H H 7.864 0.024 1 902 88 88 THR HA H 4.286 0.002 1 903 88 88 THR HB H 3.965 0.003 1 904 88 88 THR HG2 H 0.961 0.021 1 905 88 88 THR C C 173.957 0.018 1 906 88 88 THR CA C 60.809 0.151 1 907 88 88 THR CB C 69.76 0.028 1 908 88 88 THR CG2 C 21.249 0.120 1 909 88 88 THR N N 120.784 0.054 1 910 89 89 GLY H H 7.431 0.026 1 911 89 89 GLY HA2 H 4.065 0.005 1 912 89 89 GLY HA3 H 3.633 0.003 1 913 89 89 GLY C C 174.212 0.009 1 914 89 89 GLY CA C 44.883 0.035 1 915 89 89 GLY N N 109.925 0.080 1 916 90 90 GLY H H 8.172 0.027 1 917 90 90 GLY HA2 H 3.869 0.005 1 918 90 90 GLY HA3 H 3.869 0.003 1 919 90 90 GLY C C 174.224 0.016 1 920 90 90 GLY CA C 45.585 0.059 1 921 90 90 GLY N N 106.697 0.070 1 922 91 91 SER H H 8.183 0.027 1 923 91 91 SER HA H 4.921 0.001 1 924 91 91 SER HB2 H 3.991 0.001 2 925 91 91 SER HB3 H 3.919 0.002 2 926 91 91 SER C C 174.315 0.001 1 927 91 91 SER CA C 55.405 0.020 1 928 91 91 SER CB C 64.541 0.002 1 929 91 91 SER N N 116.496 0.059 1 930 92 92 PRO HA H 4.523 0.001 1 931 92 92 PRO HB2 H 2.156 0.001 2 932 92 92 PRO HB3 H 2.047 0.002 2 933 92 92 PRO HG2 H 2.045 0.001 2 934 92 92 PRO HG3 H 1.853 0.001 2 935 92 92 PRO HD2 H 3.861 0.004 2 936 92 92 PRO HD3 H 3.808 0.003 2 937 92 92 PRO C C 175.644 0.029 1 938 92 92 PRO CA C 63.548 0.059 1 939 92 92 PRO CB C 31.856 0.013 1 940 92 92 PRO CG C 26.851 0.004 1 941 92 92 PRO CD C 50.893 0.006 1 942 93 93 ARG H H 7.647 0.024 1 943 93 93 ARG HA H 4.66 0.002 1 944 93 93 ARG HB2 H 1.841 0.001 2 945 93 93 ARG HB3 H 1.612 0.004 2 946 93 93 ARG HG2 H 1.616 0.001 2 947 93 93 ARG HG3 H 1.616 0.001 2 948 93 93 ARG HD2 H 3.19 0.001 2 949 93 93 ARG HD3 H 3.19 0.001 2 950 93 93 ARG C C 173.225 0.002 1 951 93 93 ARG CA C 53.649 0.006 1 952 93 93 ARG CB C 30.478 0.005 1 953 93 93 ARG CG C 26.934 0.012 1 954 93 93 ARG CD C 43.418 0.014 1 955 93 93 ARG N N 119.983 0.050 1 956 95 95 PRO HA H 4.45 0.001 1 957 95 95 PRO HB2 H 2.368 0.003 2 958 95 95 PRO HB3 H 1.966 0.002 2 959 95 95 PRO HG2 H 1.948 0.001 2 960 95 95 PRO HG3 H 1.9 0.002 2 961 95 95 PRO HD2 H 3.548 0.050 2 962 95 95 PRO HD3 H 3.548 0.050 2 963 95 95 PRO C C 176.26 0.011 1 964 95 95 PRO CA C 62.379 0.031 1 965 95 95 PRO CB C 34.332 0.031 1 966 95 95 PRO CG C 25.403 0.007 1 967 95 95 PRO CD C 50.949 0.018 1 968 96 96 CYS H H 9.354 0.024 1 969 96 96 CYS HA H 4.659 0.003 1 970 96 96 CYS HB2 H 3.027 0.002 2 971 96 96 CYS HB3 H 2.794 0.010 2 972 96 96 CYS C C 173.501 0.022 1 973 96 96 CYS CA C 54.099 0.142 1 974 96 96 CYS CB C 40.162 0.014 1 975 96 96 CYS N N 124.304 0.048 1 976 97 97 ARG H H 9.107 0.022 1 977 97 97 ARG HA H 4.705 0.003 1 978 97 97 ARG HB2 H 1.732 0.002 2 979 97 97 ARG HB3 H 1.65 0.010 2 980 97 97 ARG HG2 H 1.423 0.003 2 981 97 97 ARG HG3 H 1.423 0.003 2 982 97 97 ARG HD2 H 2.931 0.007 2 983 97 97 ARG HD3 H 2.894 0.001 2 984 97 97 ARG C C 175.804 0.015 1 985 97 97 ARG CA C 54.359 0.080 1 986 97 97 ARG CB C 30.077 0.079 1 987 97 97 ARG CG C 25.419 0.030 1 988 97 97 ARG CD C 42.426 0.009 1 989 97 97 ARG N N 126.232 0.080 1 990 98 98 TYR H H 8.992 0.025 1 991 98 98 TYR HA H 5.064 0.003 1 992 98 98 TYR HB2 H 2.759 0.002 2 993 98 98 TYR HB3 H 2.455 0.002 2 994 98 98 TYR C C 175.04 0.007 1 995 98 98 TYR CA C 58.859 0.156 1 996 98 98 TYR CB C 44.607 0.049 1 997 98 98 TYR N N 118.165 0.055 1 998 99 99 ARG H H 9.121 0.023 1 999 99 99 ARG HA H 4.677 0.002 1 1000 99 99 ARG HB2 H 1.785 0.002 2 1001 99 99 ARG HB3 H 1.785 0.002 2 1002 99 99 ARG HG2 H 1.618 0.003 2 1003 99 99 ARG HG3 H 1.618 0.003 2 1004 99 99 ARG HD2 H 2.993 0.002 2 1005 99 99 ARG HD3 H 2.846 0.002 2 1006 99 99 ARG C C 174.903 0.009 1 1007 99 99 ARG CA C 54.351 0.091 1 1008 99 99 ARG CB C 32.709 0.100 1 1009 99 99 ARG CG C 27.208 0.170 1 1010 99 99 ARG CD C 41.402 0.210 1 1011 99 99 ARG N N 118.746 0.055 1 1012 100 100 ALA H H 8.856 0.023 1 1013 100 100 ALA HA H 5.493 0.025 1 1014 100 100 ALA HB H 1.222 0.002 1 1015 100 100 ALA C C 177.886 0.011 1 1016 100 100 ALA CA C 51.138 0.059 1 1017 100 100 ALA CB C 23.748 0.035 1 1018 100 100 ALA N N 126.404 0.042 1 1019 101 101 SER H H 8.912 0.024 1 1020 101 101 SER HA H 4.814 0.003 1 1021 101 101 SER HB2 H 3.844 0.002 2 1022 101 101 SER HB3 H 3.689 0.002 2 1023 101 101 SER C C 173.572 0.015 1 1024 101 101 SER CA C 57.464 0.168 1 1025 101 101 SER CB C 64.62 0.029 1 1026 101 101 SER N N 116.461 0.032 1 1027 102 102 ALA H H 9.27 0.024 1 1028 102 102 ALA HA H 5.33 0.003 1 1029 102 102 ALA HB H 1.539 0.002 1 1030 102 102 ALA C C 176.953 0.001 1 1031 102 102 ALA CA C 51.369 0.058 1 1032 102 102 ALA CB C 20.054 0.024 1 1033 102 102 ALA N N 132.822 0.041 1 1034 103 103 GLY H H 8.581 0.026 1 1035 103 103 GLY HA2 H 4.518 0.003 1 1036 103 103 GLY HA3 H 3.784 0.003 1 1037 103 103 GLY C C 170.712 0.005 1 1038 103 103 GLY CA C 45.375 0.002 1 1039 103 103 GLY N N 109.132 0.048 1 1040 104 104 PHE H H 8.557 0.028 1 1041 104 104 PHE HA H 5.63 0.003 1 1042 104 104 PHE HB2 H 3.022 0.002 2 1043 104 104 PHE HB3 H 2.848 0.002 2 1044 104 104 PHE C C 174.806 0.011 1 1045 104 104 PHE CA C 55.423 0.044 1 1046 104 104 PHE CB C 39.543 0.033 1 1047 104 104 PHE N N 123.046 0.050 1 1048 105 105 ARG H H 8.636 0.023 1 1049 105 105 ARG HA H 4.773 0.002 1 1050 105 105 ARG HB2 H 2.223 0.010 2 1051 105 105 ARG HB3 H 1.749 0.006 2 1052 105 105 ARG HG2 H 1.566 0.020 2 1053 105 105 ARG HG3 H 1.566 0.020 2 1054 105 105 ARG HD2 H 2.932 0.008 2 1055 105 105 ARG HD3 H 2.932 0.008 2 1056 105 105 ARG C C 176.017 0.013 1 1057 105 105 ARG CA C 53.905 0.131 1 1058 105 105 ARG CB C 34.112 0.052 1 1059 105 105 ARG CG C 28.71 0.082 1 1060 105 105 ARG CD C 45.691 0.210 1 1061 105 105 ARG N N 121.18 0.087 1 1062 106 106 HIS H H 8.62 0.022 1 1063 106 106 HIS HA H 4.126 0.003 1 1064 106 106 HIS HB2 H 3.021 0.002 2 1065 106 106 HIS HB3 H 3.021 0.002 2 1066 106 106 HIS C C 173.539 0.016 1 1067 106 106 HIS CA C 58.755 0.074 1 1068 106 106 HIS CB C 28.963 0.071 1 1069 106 106 HIS N N 120.561 0.075 1 1070 107 107 VAL H H 8.056 0.024 1 1071 107 107 VAL HA H 4.662 0.002 1 1072 107 107 VAL HB H 1.807 0.001 1 1073 107 107 VAL HG1 H 0.956 0.005 2 1074 107 107 VAL HG2 H 0.579 0.006 2 1075 107 107 VAL C C 172.614 0.010 1 1076 107 107 VAL CA C 58.759 0.157 1 1077 107 107 VAL CB C 34.88 0.071 1 1078 107 107 VAL CG1 C 22.03 0.137 2 1079 107 107 VAL CG2 C 18.448 0.152 2 1080 107 107 VAL N N 109.767 0.111 1 1081 108 108 VAL H H 8.139 0.023 1 1082 108 108 VAL HA H 4.745 0.002 1 1083 108 108 VAL HB H 1.039 0.007 1 1084 108 108 VAL HG1 H 0.534 0.003 2 1085 108 108 VAL HG2 H 0.534 0.002 2 1086 108 108 VAL C C 174.974 0.016 1 1087 108 108 VAL CA C 60.757 0.105 1 1088 108 108 VAL CB C 33.916 0.211 1 1089 108 108 VAL CG1 C 24.121 0.137 2 1090 108 108 VAL CG2 C 20.013 0.152 2 1091 108 108 VAL N N 122.384 0.056 1 1092 109 109 ILE H H 8.548 0.025 1 1093 109 109 ILE HA H 4.88 0.003 1 1094 109 109 ILE HB H 1.981 0.002 1 1095 109 109 ILE HG12 H 1.019 0.001 1 1096 109 109 ILE HG13 H 1.019 0.001 1 1097 109 109 ILE HG2 H 0.725 0.002 1 1098 109 109 ILE HD1 H 0.403 0.001 1 1099 109 109 ILE C C 173.781 0.039 1 1100 109 109 ILE CA C 58.095 0.008 1 1101 109 109 ILE CB C 43.141 0.039 1 1102 109 109 ILE CG1 C 25.55 0.057 1 1103 109 109 ILE CG2 C 17.289 0.003 1 1104 109 109 ILE CD1 C 16.55 0.125 1 1105 109 109 ILE N N 118.649 0.040 1 1106 110 110 ALA H H 8.372 0.030 1 1107 110 110 ALA HA H 4.933 0.003 1 1108 110 110 ALA HB H 1.384 0.002 1 1109 110 110 ALA C C 176.857 0.010 1 1110 110 110 ALA CA C 50.695 0.104 1 1111 110 110 ALA CB C 22.375 0.034 1 1112 110 110 ALA N N 119.367 0.108 1 1113 111 111 CYS H H 9.006 0.023 1 1114 111 111 CYS HA H 5.512 0.004 1 1115 111 111 CYS HB2 H 3.128 0.002 2 1116 111 111 CYS HB3 H 2.364 0.003 2 1117 111 111 CYS C C 174.056 0.017 1 1118 111 111 CYS CA C 56.097 0.024 1 1119 111 111 CYS CB C 49.423 0.038 1 1120 111 111 CYS N N 119.451 0.044 1 1121 112 112 GLU H H 8.955 0.022 1 1122 112 112 GLU HA H 4.393 0.001 1 1123 112 112 GLU HB2 H 1.843 0.003 2 1124 112 112 GLU HB3 H 1.687 0.002 2 1125 112 112 GLU HG2 H 2.133 0.002 2 1126 112 112 GLU HG3 H 2.133 0.002 2 1127 112 112 GLU C C 176.398 0.008 1 1128 112 112 GLU CA C 56.385 0.080 1 1129 112 112 GLU CB C 33.114 0.009 1 1130 112 112 GLU CG C 36.723 0.162 1 1131 112 112 GLU N N 121.547 0.054 1 1132 113 113 ASN H H 9.489 0.023 1 1133 113 113 ASN HA H 4.275 0.003 1 1134 113 113 ASN HB2 H 2.988 0.002 2 1135 113 113 ASN HB3 H 2.724 0.006 2 1136 113 113 ASN HD21 H 7.765 0.041 2 1137 113 113 ASN HD22 H 6.907 0.041 2 1138 113 113 ASN C C 174.625 0.006 1 1139 113 113 ASN CA C 54.303 0.106 1 1140 113 113 ASN CB C 37.552 0.018 1 1141 113 113 ASN N N 123.791 0.076 1 1142 113 113 ASN ND2 N 113.683 0.200 1 1143 114 114 GLY H H 8.7 0.024 1 1144 114 114 GLY HA2 H 3.932 0.006 1 1145 114 114 GLY HA3 H 3.256 0.002 1 1146 114 114 GLY C C 172.702 0.009 1 1147 114 114 GLY CA C 45.084 0.039 1 1148 114 114 GLY N N 102.517 0.051 1 1149 115 115 LEU H H 7.526 0.025 1 1150 115 115 LEU HA H 4.631 0.001 1 1151 115 115 LEU HB2 H 1.505 0.003 2 1152 115 115 LEU HB3 H 1.505 0.002 2 1153 115 115 LEU HG H 0.671 0.001 1 1154 115 115 LEU HD1 H 0.639 0.002 2 1155 115 115 LEU HD2 H 0.191 0.001 2 1156 115 115 LEU C C 174.344 0.003 1 1157 115 115 LEU CA C 50.97 0.035 1 1158 115 115 LEU CB C 43.295 0.024 1 1159 115 115 LEU CG C 25.638 0.007 1 1160 115 115 LEU CD1 C 23.605 0.011 2 1161 115 115 LEU CD2 C 22.313 0.004 2 1162 115 115 LEU N N 118.767 0.066 1 1163 116 116 PRO HA H 4.176 0.003 1 1164 116 116 PRO HB2 H 0.957 0.004 2 1165 116 116 PRO HB3 H 0.488 0.003 2 1166 116 116 PRO HG2 H 1.615 0.002 2 1167 116 116 PRO HG3 H 1.482 0.001 2 1168 116 116 PRO HD2 H 3.464 0.001 2 1169 116 116 PRO HD3 H 3.293 0.001 2 1170 116 116 PRO C C 175.433 0.007 1 1171 116 116 PRO CA C 62.546 0.030 1 1172 116 116 PRO CB C 30.941 0.026 1 1173 116 116 PRO CG C 27.399 0.005 1 1174 116 116 PRO CD C 50.26 0.025 1 1175 117 117 VAL H H 8.464 0.022 1 1176 117 117 VAL HA H 4.642 0.003 1 1177 117 117 VAL HB H 2.223 0.002 1 1178 117 117 VAL HG1 H 0.877 0.108 2 1179 117 117 VAL HG2 H 0.59 0.002 2 1180 117 117 VAL C C 176.632 0.003 1 1181 117 117 VAL CA C 60.772 0.117 1 1182 117 117 VAL CB C 35.028 0.175 1 1183 117 117 VAL CG1 C 22.424 0.026 2 1184 117 117 VAL CG2 C 18.304 0.005 2 1185 117 117 VAL N N 108.471 0.070 1 1186 118 118 HIS H H 7.598 0.024 1 1187 118 118 HIS HA H 5.281 0.003 1 1188 118 118 HIS HB2 H 3.262 0.002 2 1189 118 118 HIS HB3 H 2.85 0.003 2 1190 118 118 HIS C C 172.359 0.012 1 1191 118 118 HIS CA C 56.186 0.049 1 1192 118 118 HIS CB C 34.178 0.004 1 1193 118 118 HIS N N 120.796 0.056 1 1194 119 119 PHE H H 8.603 0.026 1 1195 119 119 PHE HA H 4.46 0.003 1 1196 119 119 PHE HB2 H 1.996 0.002 2 1197 119 119 PHE HB3 H 1.93 0.002 2 1198 119 119 PHE C C 172.714 0.008 1 1199 119 119 PHE CA C 56.922 0.098 1 1200 119 119 PHE CB C 40.968 0.006 1 1201 119 119 PHE N N 128.224 0.034 1 1202 120 120 ASP H H 7.49 0.022 1 1203 120 120 ASP HA H 4.536 0.004 1 1204 120 120 ASP HB2 H 2.658 0.002 2 1205 120 120 ASP HB3 H 2.658 0.002 2 1206 120 120 ASP C C 175.676 0.037 1 1207 120 120 ASP CA C 53.287 0.110 1 1208 120 120 ASP CB C 40.466 0.093 1 1209 120 120 ASP N N 125.54 0.075 1 1210 121 121 GLU H H 8.416 0.024 1 1211 121 121 GLU HA H 4.38 0.001 1 1212 121 121 GLU HB2 H 2.274 0.002 2 1213 121 121 GLU HB3 H 1.821 0.001 2 1214 121 121 GLU HG2 H 2.527 0.004 2 1215 121 121 GLU HG3 H 2.527 0.002 2 1216 121 121 GLU C C 179.284 0.016 1 1217 121 121 GLU CA C 57.856 0.077 1 1218 121 121 GLU CB C 28.883 0.025 1 1219 121 121 GLU CG C 34.607 0.120 1 1220 121 121 GLU N N 126.598 0.137 1 1221 122 122 SER H H 8.401 0.024 1 1222 122 122 SER HA H 4.233 0.002 1 1223 122 122 SER HB2 H 3.962 0.001 2 1224 122 122 SER HB3 H 3.962 0.003 2 1225 122 122 SER C C 175.704 0.025 1 1226 122 122 SER CA C 60.868 0.035 1 1227 122 122 SER CB C 63.117 0.050 1 1228 122 122 SER N N 115.701 0.120 1 1229 123 123 PHE H H 7.221 0.024 1 1230 123 123 PHE HA H 4.21 0.004 1 1231 123 123 PHE HB2 H 2.979 0.001 2 1232 123 123 PHE HB3 H 2.713 0.003 2 1233 123 123 PHE C C 175.941 0.009 1 1234 123 123 PHE CA C 60.25 0.079 1 1235 123 123 PHE CB C 39.485 0.009 1 1236 123 123 PHE N N 122.515 0.124 1 1237 124 124 ILE H H 7.097 0.024 1 1238 124 124 ILE HA H 3.935 0.002 1 1239 124 124 ILE HB H 2.153 0.002 1 1240 124 124 ILE HG12 H 1.494 0.001 1 1241 124 124 ILE HG13 H 1.494 0.001 1 1242 124 124 ILE HG2 H 0.935 0.002 1 1243 124 124 ILE HD1 H 0.755 0.005 1 1244 124 124 ILE C C 175.67 0.019 1 1245 124 124 ILE CA C 59.924 0.074 1 1246 124 124 ILE CB C 37.222 0.084 1 1247 124 124 ILE CG1 C 27.684 0.014 1 1248 124 124 ILE CG2 C 18.74 0.001 1 1249 124 124 ILE CD1 C 12.377 0.041 1 1250 124 124 ILE N N 115.499 0.045 1 1251 125 125 SER H H 7.442 0.024 1 1252 125 125 SER HA H 4.38 0.002 1 1253 125 125 SER HB2 H 3.821 0.001 2 1254 125 125 SER HB3 H 3.821 0.001 2 1255 125 125 SER C C 173.482 0.010 1 1256 125 125 SER CA C 58.359 0.040 1 1257 125 125 SER CB C 64.194 0.017 1 1258 125 125 SER N N 116.634 0.036 1 1259 126 126 LEU H H 7.618 0.023 1 1260 126 126 LEU HA H 4.127 0.001 1 1261 126 126 LEU HB2 H 1.501 0.003 2 1262 126 126 LEU HB3 H 1.501 0.003 2 1263 126 126 LEU HG H 1.6 0.005 1 1264 126 126 LEU HD1 H 0.82 0.009 2 1265 126 126 LEU HD2 H 0.82 0.009 2 1266 126 126 LEU C C 170.497 0.019 1 1267 126 126 LEU CA C 57.214 0.021 1 1268 126 126 LEU CB C 43.357 0.069 1 1269 126 126 LEU CG C 27.128 0.074 1 1270 126 126 LEU CD1 C 25.342 0.007 2 1271 126 126 LEU CD2 C 23.542 0.009 2 1272 126 126 LEU N N 129.289 0.057 1 stop_ save_