data_7414 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12 ; _BMRB_accession_number 7414 _BMRB_flat_file_name bmr7414.str _Entry_type original _Submission_date 2007-12-03 _Accession_date 2007-12-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; In this entry are deposited : _ Assignment of FL_MMP12. _ Assignment of hemopexin-like domain. _ RDCs obtained on FL_MMP12. _ R1, R2 and NOE data for catalytic, hemopexin-like domain and full-length protein. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Calderone Vito . . 3 Fragai Marco . . 4 Jaiswal Rahul . . 5 Luchinat Claudio . . 6 Melikian Maxime . . 7 Mylonas Efstratios . . 8 Svergun Dmitri I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1051 "13C chemical shifts" 760 "15N chemical shifts" 200 "T1 relaxation values" 160 "T2 relaxation values" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18465858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini I. . . 2 Calderone V. . . 3 Fragai M. . . 4 Jaiswal R. . . 5 Luchinat C. . . 6 Melikian M. . . 7 Mylonas E. . . 8 Svergun D. I. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 130 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7011 _Page_last 7021 _Year 2008 _Details . loop_ _Keyword assignment 'matrix metalloproteinase' mobility NMR RDC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MMP12_HUMAN _Enzyme_commission_number 3.4.24.65 loop_ _Mol_system_component_name _Mol_label 'Hemopexin-like Domain' $HPX_DOMAIN 'Cadmium ion' $CD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Active MMP-12 protein composed by a catalytic and a hemopexin-like domain connected by a linker peptide.' save_ ######################## # Monomeric polymers # ######################## save_HPX_DOMAIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HPX_DOMAIN _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function unknown stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 194 _Mol_residue_sequence ; MEPALCDPNLSFDAVTTVGN KIFFFKDRFFWLKVSERPKT SVNLISSLWPTLPSGIEAAY EIEARNQVFLFKDDKYWLIS NLRPEPNYPKSIHSFGFPNF VKKIDAAVFNPRFYRTYFFV DNQYWRYDERRQMMDPGYPK LITKNFQGIGPKIDAVFYSK NKYYYFFQGSNQFEYDFLLQ RITKTLKSNSWFGC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 PRO 4 ALA 5 LEU 6 CYS 7 ASP 8 PRO 9 ASN 10 LEU 11 SER 12 PHE 13 ASP 14 ALA 15 VAL 16 THR 17 THR 18 VAL 19 GLY 20 ASN 21 LYS 22 ILE 23 PHE 24 PHE 25 PHE 26 LYS 27 ASP 28 ARG 29 PHE 30 PHE 31 TRP 32 LEU 33 LYS 34 VAL 35 SER 36 GLU 37 ARG 38 PRO 39 LYS 40 THR 41 SER 42 VAL 43 ASN 44 LEU 45 ILE 46 SER 47 SER 48 LEU 49 TRP 50 PRO 51 THR 52 LEU 53 PRO 54 SER 55 GLY 56 ILE 57 GLU 58 ALA 59 ALA 60 TYR 61 GLU 62 ILE 63 GLU 64 ALA 65 ARG 66 ASN 67 GLN 68 VAL 69 PHE 70 LEU 71 PHE 72 LYS 73 ASP 74 ASP 75 LYS 76 TYR 77 TRP 78 LEU 79 ILE 80 SER 81 ASN 82 LEU 83 ARG 84 PRO 85 GLU 86 PRO 87 ASN 88 TYR 89 PRO 90 LYS 91 SER 92 ILE 93 HIS 94 SER 95 PHE 96 GLY 97 PHE 98 PRO 99 ASN 100 PHE 101 VAL 102 LYS 103 LYS 104 ILE 105 ASP 106 ALA 107 ALA 108 VAL 109 PHE 110 ASN 111 PRO 112 ARG 113 PHE 114 TYR 115 ARG 116 THR 117 TYR 118 PHE 119 PHE 120 VAL 121 ASP 122 ASN 123 GLN 124 TYR 125 TRP 126 ARG 127 TYR 128 ASP 129 GLU 130 ARG 131 ARG 132 GLN 133 MET 134 MET 135 ASP 136 PRO 137 GLY 138 TYR 139 PRO 140 LYS 141 LEU 142 ILE 143 THR 144 LYS 145 ASN 146 PHE 147 GLN 148 GLY 149 ILE 150 GLY 151 PRO 152 LYS 153 ILE 154 ASP 155 ALA 156 VAL 157 PHE 158 TYR 159 SER 160 LYS 161 ASN 162 LYS 163 TYR 164 TYR 165 TYR 166 PHE 167 PHE 168 GLN 169 GLY 170 SER 171 ASN 172 GLN 173 PHE 174 GLU 175 TYR 176 ASP 177 PHE 178 LEU 179 LEU 180 GLN 181 ARG 182 ILE 183 THR 184 LYS 185 THR 186 LEU 187 LYS 188 SER 189 ASN 190 SER 191 TRP 192 PHE 193 GLY 194 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 15578 FL_MMP12 99.48 366 100.00 100.00 2.10e-137 PDB 2JXY "Solution Structure Of The Hemopexin-Like Domain Of Mmp12" 100.00 194 100.00 100.00 2.67e-139 PDB 3BA0 "Crystal Structure Of Full-Length Human Mmp-12" 99.48 365 100.00 100.00 2.97e-137 DBJ BAG36675 "unnamed protein product [Homo sapiens]" 99.48 470 100.00 100.00 5.63e-137 DBJ BAJ20684 "matrix metallopeptidase 12 [synthetic construct]" 99.48 470 100.00 100.00 5.63e-137 GB AAA58658 "metalloproteinase [Homo sapiens]" 99.48 470 100.00 100.00 4.68e-137 GB AAB36943 "metalloelastase, partial [Homo sapiens]" 98.97 240 100.00 100.00 5.68e-137 GB AAI12302 "Matrix metalloproteinase 12, preproprotein [Homo sapiens]" 99.48 470 100.00 100.00 5.63e-137 GB AAI43774 "Matrix metallopeptidase 12 (macrophage elastase) [Homo sapiens]" 99.48 470 99.48 100.00 2.94e-136 GB AAW29944 "matrix metalloproteinase 12 (macrophage elastase) [Homo sapiens]" 99.48 470 100.00 100.00 5.63e-137 REF NP_002417 "macrophage metalloelastase preproprotein [Homo sapiens]" 99.48 470 100.00 100.00 5.63e-137 REF XP_003828422 "PREDICTED: macrophage metalloelastase [Pan paniscus]" 99.48 470 98.96 98.96 1.16e-135 REF XP_004052087 "PREDICTED: macrophage metalloelastase [Gorilla gorilla gorilla]" 99.48 470 99.48 100.00 1.58e-136 REF XP_508724 "PREDICTED: macrophage metalloelastase [Pan troglodytes]" 99.48 470 98.96 98.96 1.16e-135 SP P39900 "RecName: Full=Macrophage metalloelastase; Short=MME; AltName: Full=Macrophage elastase; Short=ME; Short=hME; AltName: Full=Matr" 99.48 470 100.00 100.00 5.63e-137 stop_ save_ ############# # Ligands # ############# save_CD _Saveframe_category ligand _Mol_type non-polymer _Name_common "CD (CADMIUM ION)" _BMRB_code . _PDB_code CD _Molecular_mass 112.411 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:34:58 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CD CD CD N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HPX_DOMAIN 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 $HPX_DOMAIN 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.5, no buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HPX_DOMAIN . mM '[U-13C; U-15N]' NaCl 300 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details 'TCI probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T1_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_T2_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC T2' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_NOE_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '300 mM of NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 7.2 . pH pressure 1 . ATM temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assignment_HPX _Saveframe_category assigned_chemical_shifts _Details 'Assignment of hemopexin-like domain of MMP12_HUMAN.' loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNHA' 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 'Hemopexin-like Domain' _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 1 279 3 PRO HA H 4.146 0.020 1 2 279 3 PRO HB2 H 2.010 0.020 2 3 279 3 PRO HB3 H 1.646 0.020 2 4 279 3 PRO HD2 H 3.244 0.020 2 5 279 3 PRO HD3 H 2.960 0.020 2 6 279 3 PRO HG2 H 1.921 0.020 2 7 279 3 PRO HG3 H 1.501 0.020 2 8 279 3 PRO C C 173.001 0.3 1 9 279 3 PRO CA C 59.806 0.3 1 10 279 3 PRO CB C 28.706 0.3 1 11 279 3 PRO CD C 46.954 0.3 1 12 279 3 PRO CG C 23.746 0.3 1 13 280 4 ALA H H 8.310 0.020 1 14 280 4 ALA HA H 4.180 0.020 1 15 280 4 ALA HB H 1.208 0.020 1 16 280 4 ALA C C 174.888 0.3 1 17 280 4 ALA CA C 48.865 0.3 1 18 280 4 ALA CB C 15.786 0.3 1 19 280 4 ALA N N 124.315 0.3 1 20 281 5 LEU H H 7.746 0.020 1 21 281 5 LEU HA H 3.748 0.020 1 22 281 5 LEU HB2 H 1.285 0.020 1 23 281 5 LEU HD1 H 0.272 0.020 1 24 281 5 LEU HD2 H 0.217 0.020 1 25 281 5 LEU HG H 1.263 0.020 1 26 281 5 LEU C C 173.419 0.3 1 27 281 5 LEU CA C 54.118 0.3 1 28 281 5 LEU CB C 39.403 0.3 1 29 281 5 LEU CD1 C 21.307 0.3 1 30 281 5 LEU CD2 C 20.498 0.3 1 31 281 5 LEU CG C 23.099 0.3 1 32 281 5 LEU N N 121.625 0.3 1 33 282 6 CYS H H 7.665 0.020 1 34 282 6 CYS HA H 5.060 0.020 1 35 282 6 CYS HB2 H 3.189 0.020 2 36 282 6 CYS HB3 H 2.472 0.020 2 37 282 6 CYS C C 173.139 0.3 1 38 282 6 CYS CA C 48.859 0.3 1 39 282 6 CYS CB C 33.843 0.3 1 40 282 6 CYS N N 109.208 0.3 1 41 283 7 ASP H H 7.247 0.020 1 42 283 7 ASP HA H 4.510 0.020 1 43 283 7 ASP HB2 H 2.584 0.020 2 44 283 7 ASP HB3 H 2.639 0.020 2 45 283 7 ASP CA C 49.079 0.3 1 46 283 7 ASP CB C 39.059 0.3 1 47 283 7 ASP N N 123.572 0.3 1 48 284 8 PRO HA H 4.202 0.020 1 49 284 8 PRO HB2 H 1.813 0.020 2 50 284 8 PRO HB3 H 2.146 0.020 2 51 284 8 PRO HD2 H 3.719 0.020 1 52 284 8 PRO HG2 H 1.927 0.020 2 53 284 8 PRO HG3 H 1.778 0.020 2 54 284 8 PRO C C 174.187 0.3 1 55 284 8 PRO CA C 61.063 0.3 1 56 284 8 PRO CB C 28.854 0.3 1 57 284 8 PRO CD C 47.771 0.3 1 58 284 8 PRO CG C 23.654 0.3 1 59 285 9 ASN H H 8.595 0.020 1 60 285 9 ASN HA H 4.764 0.020 1 61 285 9 ASN HB2 H 2.803 0.020 2 62 285 9 ASN HB3 H 2.471 0.020 2 63 285 9 ASN HD21 H 6.776 0.020 1 64 285 9 ASN HD22 H 6.322 0.020 1 65 285 9 ASN C C 171.976 0.3 1 66 285 9 ASN CA C 49.131 0.3 1 67 285 9 ASN CB C 35.885 0.3 1 68 285 9 ASN N N 115.976 0.3 1 69 285 9 ASN ND2 N 108.582 0.3 1 70 286 10 LEU H H 6.982 0.020 1 71 286 10 LEU HA H 3.739 0.020 1 72 286 10 LEU HB2 H 1.318 0.020 2 73 286 10 LEU HB3 H 1.099 0.020 2 74 286 10 LEU HD1 H 0.598 0.020 1 75 286 10 LEU HD2 H 0.598 0.020 1 76 286 10 LEU HG H 0.707 0.020 1 77 286 10 LEU C C 171.447 0.3 1 78 286 10 LEU CA C 53.494 0.3 1 79 286 10 LEU CB C 39.492 0.3 1 80 286 10 LEU CD1 C 20.391 0.3 1 81 286 10 LEU CD2 C 20.391 0.3 1 82 286 10 LEU CG C 23.071 0.3 1 83 286 10 LEU N N 122.669 0.3 1 84 287 11 SER H H 7.295 0.020 1 85 287 11 SER HA H 4.178 0.020 1 86 287 11 SER HB2 H 3.741 0.020 2 87 287 11 SER HB3 H 3.351 0.020 2 88 287 11 SER C C 169.634 0.3 1 89 287 11 SER CA C 52.550 0.3 1 90 287 11 SER CB C 62.893 0.3 1 91 287 11 SER N N 117.794 0.3 1 92 288 12 PHE H H 9.291 0.020 1 93 288 12 PHE HA H 4.954 0.020 1 94 288 12 PHE HB2 H 3.344 0.020 2 95 288 12 PHE HB3 H 2.039 0.020 2 96 288 12 PHE HD1 H 6.765 0.020 1 97 288 12 PHE HE1 H 6.775 0.020 1 98 288 12 PHE C C 173.495 0.3 1 99 288 12 PHE CA C 54.406 0.3 1 100 288 12 PHE CB C 39.447 0.3 1 101 288 12 PHE N N 117.051 0.3 1 102 289 13 ASP H H 9.243 0.020 1 103 289 13 ASP HA H 4.952 0.020 1 104 289 13 ASP HB2 H 3.894 0.020 2 105 289 13 ASP HB3 H 2.544 0.020 2 106 289 13 ASP C C 173.416 0.3 1 107 289 13 ASP CA C 52.829 0.3 1 108 289 13 ASP CB C 39.090 0.3 1 109 289 13 ASP N N 121.591 0.3 1 110 290 14 ALA H H 7.788 0.020 1 111 290 14 ALA HA H 5.007 0.020 1 112 290 14 ALA HB H 1.180 0.020 1 113 290 14 ALA C C 172.622 0.3 1 114 290 14 ALA CA C 49.403 0.3 1 115 290 14 ALA CB C 18.401 0.3 1 116 290 14 ALA N N 118.214 0.3 1 117 291 15 VAL H H 8.671 0.020 1 118 291 15 VAL HA H 4.842 0.020 1 119 291 15 VAL HB H 1.373 0.020 1 120 291 15 VAL HG1 H -0.332 0.020 1 121 291 15 VAL HG2 H -0.031 0.020 1 122 291 15 VAL C C 171.555 0.3 1 123 291 15 VAL CA C 58.214 0.3 1 124 291 15 VAL CB C 34.096 0.3 1 125 291 15 VAL CG1 C 19.395 0.3 1 126 291 15 VAL CG2 C 19.395 0.3 1 127 291 15 VAL N N 121.182 0.3 1 128 292 16 THR H H 8.562 0.020 1 129 292 16 THR HA H 4.819 0.020 1 130 292 16 THR HB H 4.009 0.020 1 131 292 16 THR HG2 H 0.823 0.020 1 132 292 16 THR C C 169.997 0.3 1 133 292 16 THR CA C 58.295 0.3 1 134 292 16 THR CB C 66.372 0.3 1 135 292 16 THR CG2 C 18.096 0.3 1 136 292 16 THR N N 115.697 0.3 1 137 293 17 THR H H 6.621 0.020 1 138 293 17 THR HA H 4.838 0.020 1 139 293 17 THR HB H 4.289 0.020 1 140 293 17 THR HG2 H 1.260 0.020 1 141 293 17 THR C C 172.740 0.3 1 142 293 17 THR CA C 58.569 0.3 1 143 293 17 THR CB C 66.517 0.3 1 144 293 17 THR CG2 C 20.323 0.3 1 145 293 17 THR N N 116.013 0.3 1 146 294 18 VAL H H 8.415 0.020 1 147 294 18 VAL HA H 4.071 0.020 1 148 294 18 VAL HB H 1.699 0.020 1 149 294 18 VAL HG1 H 0.273 0.020 1 150 294 18 VAL HG2 H 0.548 0.020 1 151 294 18 VAL C C 175.141 0.3 1 152 294 18 VAL CA C 58.548 0.3 1 153 294 18 VAL CB C 30.182 0.3 1 154 294 18 VAL CG1 C 19.364 0.3 1 155 294 18 VAL CG2 C 17.579 0.3 1 156 294 18 VAL N N 122.851 0.3 1 157 295 19 GLY H H 10.028 0.020 1 158 295 19 GLY HA2 H 3.829 0.020 1 159 295 19 GLY C C 172.995 0.3 1 160 295 19 GLY CA C 44.522 0.3 1 161 295 19 GLY N N 120.262 0.3 1 162 296 20 ASN H H 8.744 0.020 1 163 296 20 ASN HA H 4.674 0.020 1 164 296 20 ASN HB2 H 3.092 0.020 2 165 296 20 ASN HB3 H 2.778 0.020 2 166 296 20 ASN HD21 H 7.658 0.020 1 167 296 20 ASN HD22 H 6.907 0.020 1 168 296 20 ASN C C 171.419 0.3 1 169 296 20 ASN CA C 50.668 0.3 1 170 296 20 ASN CB C 34.474 0.3 1 171 296 20 ASN N N 126.570 0.3 1 172 296 20 ASN ND2 N 112.073 0.3 1 173 297 21 LYS H H 7.936 0.020 1 174 297 21 LYS HA H 4.948 0.020 1 175 297 21 LYS HB2 H 1.918 0.020 2 176 297 21 LYS HB3 H 1.649 0.020 2 177 297 21 LYS HD2 H 1.318 0.020 1 178 297 21 LYS HE2 H 2.802 0.020 1 179 297 21 LYS HG2 H 1.593 0.020 1 180 297 21 LYS C C 173.480 0.3 1 181 297 21 LYS CA C 51.759 0.3 1 182 297 21 LYS CB C 32.397 0.3 1 183 297 21 LYS CD C 21.557 0.3 1 184 297 21 LYS CE C 39.121 0.3 1 185 297 21 LYS CG C 25.609 0.3 1 186 297 21 LYS N N 119.830 0.3 1 187 298 22 ILE H H 8.905 0.020 1 188 298 22 ILE HA H 3.959 0.020 1 189 298 22 ILE HB H 1.124 0.020 1 190 298 22 ILE HD1 H -0.111 0.020 1 191 298 22 ILE HG12 H 1.098 0.020 2 192 298 22 ILE HG13 H 0.054 0.020 2 193 298 22 ILE HG2 H -0.939 0.020 1 194 298 22 ILE C C 170.741 0.3 1 195 298 22 ILE CA C 59.371 0.3 1 196 298 22 ILE CB C 36.616 0.3 1 197 298 22 ILE CD1 C 10.061 0.3 1 198 298 22 ILE CG1 C 23.074 0.3 1 199 298 22 ILE CG2 C 15.182 0.3 1 200 298 22 ILE N N 120.522 0.3 1 201 299 23 PHE H H 8.633 0.020 1 202 299 23 PHE HA H 4.997 0.020 1 203 299 23 PHE HB2 H 2.701 0.020 1 204 299 23 PHE HE1 H 6.380 0.020 1 205 299 23 PHE C C 170.867 0.3 1 206 299 23 PHE CA C 53.034 0.3 1 207 299 23 PHE CB C 38.092 0.3 1 208 299 23 PHE N N 126.020 0.3 1 209 300 24 PHE H H 9.023 0.020 1 210 300 24 PHE HA H 4.515 0.020 1 211 300 24 PHE HB2 H 3.070 0.020 2 212 300 24 PHE HB3 H 1.953 0.020 2 213 300 24 PHE HD1 H 6.046 0.020 1 214 300 24 PHE C C 172.575 0.3 1 215 300 24 PHE CA C 52.149 0.3 1 216 300 24 PHE CB C 37.326 0.3 1 217 300 24 PHE N N 120.435 0.3 1 218 301 25 PHE H H 9.152 0.020 1 219 301 25 PHE HA H 5.306 0.020 1 220 301 25 PHE HB2 H 3.884 0.020 2 221 301 25 PHE HB3 H 2.956 0.020 2 222 301 25 PHE HD1 H 7.101 0.020 1 223 301 25 PHE HE1 H 6.822 0.020 1 224 301 25 PHE C C 173.668 0.3 1 225 301 25 PHE CA C 55.788 0.3 1 226 301 25 PHE CB C 37.068 0.3 1 227 301 25 PHE N N 120.630 0.3 1 228 302 26 LYS H H 9.307 0.020 1 229 302 26 LYS HA H 4.505 0.020 1 230 302 26 LYS HB2 H 2.204 0.020 2 231 302 26 LYS HB3 H 2.180 0.020 2 232 302 26 LYS HD2 H 1.871 0.020 2 233 302 26 LYS HD3 H 1.643 0.020 2 234 302 26 LYS HE2 H 2.969 0.020 1 235 302 26 LYS HG2 H 1.428 0.020 2 236 302 26 LYS HG3 H 1.208 0.020 2 237 302 26 LYS C C 171.346 0.3 1 238 302 26 LYS CA C 54.001 0.3 1 239 302 26 LYS CB C 32.930 0.3 1 240 302 26 LYS CD C 25.462 0.3 1 241 302 26 LYS CE C 39.448 0.3 1 242 302 26 LYS CG C 22.028 0.3 1 243 302 26 LYS N N 123.641 0.3 1 244 303 27 ASP H H 10.100 0.020 1 245 303 27 ASP HA H 4.178 0.020 1 246 303 27 ASP HB2 H 3.135 0.020 2 247 303 27 ASP HB3 H 2.958 0.020 2 248 303 27 ASP C C 173.939 0.3 1 249 303 27 ASP CA C 53.742 0.3 1 250 303 27 ASP CB C 37.161 0.3 1 251 303 27 ASP N N 129.433 0.3 1 252 304 28 ARG H H 7.768 0.020 1 253 304 28 ARG HA H 4.402 0.020 1 254 304 28 ARG HB2 H 1.265 0.020 2 255 304 28 ARG HB3 H 1.539 0.020 2 256 304 28 ARG HD2 H 2.939 0.020 2 257 304 28 ARG HD3 H 2.913 0.020 2 258 304 28 ARG HG2 H 0.935 0.020 2 259 304 28 ARG HG3 H 0.923 0.020 2 260 304 28 ARG C C 172.434 0.3 1 261 304 28 ARG CA C 53.570 0.3 1 262 304 28 ARG CB C 27.510 0.3 1 263 304 28 ARG CD C 40.376 0.3 1 264 304 28 ARG CG C 23.028 0.3 1 265 304 28 ARG N N 121.508 0.3 1 266 305 29 PHE H H 8.810 0.020 1 267 305 29 PHE HA H 5.291 0.020 1 268 305 29 PHE HB2 H 2.806 0.020 2 269 305 29 PHE HB3 H 2.418 0.020 2 270 305 29 PHE HD1 H 6.934 0.020 1 271 305 29 PHE HE1 H 7.201 0.020 1 272 305 29 PHE C C 172.036 0.3 1 273 305 29 PHE CA C 54.650 0.3 1 274 305 29 PHE CB C 39.901 0.3 1 275 305 29 PHE N N 121.764 0.3 1 276 306 30 PHE H H 8.872 0.020 1 277 306 30 PHE HA H 5.800 0.020 1 278 306 30 PHE HB2 H 2.584 0.020 2 279 306 30 PHE HB3 H 2.254 0.020 2 280 306 30 PHE HD1 H 6.490 0.020 1 281 306 30 PHE HE1 H 6.661 0.020 1 282 306 30 PHE C C 170.798 0.3 1 283 306 30 PHE CA C 53.159 0.3 1 284 306 30 PHE CB C 39.129 0.3 1 285 306 30 PHE N N 112.676 0.3 1 286 307 31 TRP H H 9.771 0.020 1 287 307 31 TRP HA H 5.116 0.020 1 288 307 31 TRP HB2 H 2.320 0.020 2 289 307 31 TRP HB3 H 2.975 0.020 2 290 307 31 TRP HD1 H 7.538 0.020 1 291 307 31 TRP HE1 H 9.853 0.020 1 292 307 31 TRP HE3 H 6.820 0.020 1 293 307 31 TRP C C 172.432 0.3 1 294 307 31 TRP CA C 53.780 0.3 1 295 307 31 TRP CB C 28.701 0.3 1 296 307 31 TRP N N 124.645 0.3 1 297 307 31 TRP NE1 N 128.112 0.3 1 298 308 32 LEU H H 8.625 0.020 1 299 308 32 LEU HA H 5.020 0.020 1 300 308 32 LEU HB2 H 1.553 0.020 2 301 308 32 LEU HB3 H 0.762 0.020 2 302 308 32 LEU HD1 H 0.439 0.020 1 303 308 32 LEU HD2 H -0.003 0.020 1 304 308 32 LEU HG H 0.933 0.020 1 305 308 32 LEU C C 172.241 0.3 1 306 308 32 LEU CA C 50.244 0.3 1 307 308 32 LEU CB C 42.249 0.3 1 308 308 32 LEU CD1 C 21.984 0.3 1 309 308 32 LEU CD2 C 20.582 0.3 1 310 308 32 LEU CG C 24.035 0.3 1 311 308 32 LEU N N 124.067 0.3 1 312 309 33 LYS H H 9.016 0.020 1 313 309 33 LYS HA H 4.897 0.020 1 314 309 33 LYS HB2 H 1.673 0.020 2 315 309 33 LYS HB3 H 1.932 0.020 2 316 309 33 LYS HD2 H 1.875 0.020 2 317 309 33 LYS HD3 H 1.540 0.020 2 318 309 33 LYS HE2 H 3.186 0.020 1 319 309 33 LYS HG2 H 1.485 0.020 2 320 309 33 LYS HG3 H 1.374 0.020 2 321 309 33 LYS C C 172.162 0.3 1 322 309 33 LYS CA C 50.942 0.3 1 323 309 33 LYS CB C 32.307 0.3 1 324 309 33 LYS CD C 25.552 0.3 1 325 309 33 LYS CE C 39.436 0.3 1 326 309 33 LYS CG C 21.681 0.3 1 327 309 33 LYS N N 129.020 0.3 1 328 310 34 VAL H H 9.122 0.020 1 329 310 34 VAL HA H 4.289 0.020 1 330 310 34 VAL HB H 1.978 0.020 1 331 310 34 VAL HG1 H 0.824 0.020 1 332 310 34 VAL HG2 H 0.768 0.020 1 333 310 34 VAL C C 173.474 0.3 1 334 310 34 VAL CA C 58.475 0.3 1 335 310 34 VAL CB C 29.843 0.3 1 336 310 34 VAL CG1 C 17.804 0.3 1 337 310 34 VAL CG2 C 17.804 0.3 1 338 310 34 VAL N N 125.983 0.3 1 339 311 35 SER H H 8.586 0.020 1 340 311 35 SER HA H 4.073 0.020 1 341 311 35 SER HB2 H 3.851 0.020 2 342 311 35 SER HB3 H 3.834 0.020 2 343 311 35 SER C C 172.478 0.3 1 344 311 35 SER CA C 58.043 0.3 1 345 311 35 SER CB C 60.148 0.3 1 346 311 35 SER N N 121.508 0.3 1 347 312 36 GLU H H 8.694 0.020 1 348 312 36 GLU HA H 4.022 0.020 1 349 312 36 GLU HB2 H 2.143 0.020 2 350 312 36 GLU HB3 H 2.038 0.020 2 351 312 36 GLU HG2 H 2.202 0.020 1 352 312 36 GLU C C 173.067 0.3 1 353 312 36 GLU CA C 54.799 0.3 1 354 312 36 GLU CB C 25.185 0.3 1 355 312 36 GLU CG C 33.389 0.3 1 356 312 36 GLU N N 116.968 0.3 1 357 313 37 ARG H H 7.725 0.020 1 358 313 37 ARG HA H 4.784 0.020 1 359 313 37 ARG HB2 H 1.925 0.020 2 360 313 37 ARG HB3 H 1.700 0.020 2 361 313 37 ARG HD2 H 3.134 0.020 2 362 313 37 ARG HD3 H 3.079 0.020 2 363 313 37 ARG HG2 H 1.538 0.020 1 364 313 37 ARG CA C 50.050 0.3 1 365 313 37 ARG CB C 27.933 0.3 1 366 313 37 ARG CD C 40.120 0.3 1 367 313 37 ARG CG C 23.385 0.3 1 368 313 37 ARG N N 119.375 0.3 1 369 314 38 PRO HA H 4.337 0.020 1 370 314 38 PRO HB2 H 2.134 0.020 2 371 314 38 PRO HB3 H 1.915 0.020 2 372 314 38 PRO HD2 H 3.739 0.020 2 373 314 38 PRO HD3 H 3.648 0.020 2 374 314 38 PRO HG2 H 1.900 0.020 2 375 314 38 PRO HG3 H 1.776 0.020 2 376 314 38 PRO C C 174.400 0.3 1 377 314 38 PRO CA C 61.073 0.3 1 378 314 38 PRO CB C 28.772 0.3 1 379 314 38 PRO CD C 47.592 0.3 1 380 314 38 PRO CG C 23.740 0.3 1 381 315 39 LYS H H 7.631 0.020 1 382 315 39 LYS HA H 4.333 0.020 1 383 315 39 LYS HB2 H 1.648 0.020 1 384 315 39 LYS HD2 H 1.536 0.020 1 385 315 39 LYS HE2 H 2.803 0.020 1 386 315 39 LYS HG2 H 1.263 0.020 2 387 315 39 LYS HG3 H 1.206 0.020 2 388 315 39 LYS C C 173.720 0.3 1 389 315 39 LYS CA C 53.524 0.3 1 390 315 39 LYS CB C 30.317 0.3 1 391 315 39 LYS CD C 25.745 0.3 1 392 315 39 LYS CE C 38.926 0.3 1 393 315 39 LYS CG C 21.682 0.3 1 394 315 39 LYS N N 118.707 0.3 1 395 316 40 THR H H 8.397 0.020 1 396 316 40 THR HA H 4.636 0.020 1 397 316 40 THR HB H 3.629 0.020 1 398 316 40 THR HG2 H 0.657 0.020 1 399 316 40 THR C C 171.934 0.3 1 400 316 40 THR CA C 59.730 0.3 1 401 316 40 THR CB C 67.204 0.3 1 402 316 40 THR CG2 C 18.300 0.3 1 403 316 40 THR N N 123.318 0.3 1 404 317 41 SER H H 8.138 0.020 1 405 317 41 SER HA H 4.593 0.020 1 406 317 41 SER HB2 H 3.646 0.020 2 407 317 41 SER HB3 H 3.609 0.020 2 408 317 41 SER C C 169.433 0.3 1 409 317 41 SER CA C 53.076 0.3 1 410 317 41 SER CB C 62.451 0.3 1 411 317 41 SER N N 119.444 0.3 1 412 318 42 VAL H H 8.211 0.020 1 413 318 42 VAL HA H 4.125 0.020 1 414 318 42 VAL HB H 1.260 0.020 1 415 318 42 VAL HG1 H 0.108 0.020 1 416 318 42 VAL HG2 H -0.278 0.020 1 417 318 42 VAL C C 171.529 0.3 1 418 318 42 VAL CA C 57.479 0.3 1 419 318 42 VAL CB C 30.030 0.3 1 420 318 42 VAL CG1 C 17.188 0.3 1 421 318 42 VAL CG2 C 15.954 0.3 1 422 318 42 VAL N N 122.646 0.3 1 423 319 43 ASN H H 8.042 0.020 1 424 319 43 ASN HA H 4.620 0.020 1 425 319 43 ASN HB2 H 1.703 0.020 2 426 319 43 ASN HB3 H 0.881 0.020 2 427 319 43 ASN HD21 H 5.895 0.020 1 428 319 43 ASN HD22 H 6.698 0.020 1 429 319 43 ASN C C 170.597 0.3 1 430 319 43 ASN CA C 48.199 0.3 1 431 319 43 ASN CB C 40.265 0.3 1 432 319 43 ASN N N 123.820 0.3 1 433 319 43 ASN ND2 N 113.985 0.3 1 434 320 44 LEU H H 8.792 0.020 1 435 320 44 LEU HA H 4.404 0.020 1 436 320 44 LEU HB2 H 1.453 0.020 1 437 320 44 LEU HD1 H 0.383 0.020 1 438 320 44 LEU HD2 H 0.657 0.020 1 439 320 44 LEU HG H 1.484 0.020 1 440 320 44 LEU C C 176.942 0.3 1 441 320 44 LEU CA C 51.360 0.3 1 442 320 44 LEU CB C 38.801 0.3 1 443 320 44 LEU CD1 C 22.092 0.3 1 444 320 44 LEU CD2 C 20.593 0.3 1 445 320 44 LEU CG C 23.681 0.3 1 446 320 44 LEU N N 120.770 0.3 1 447 321 45 ILE H H 9.007 0.020 1 448 321 45 ILE HA H 3.710 0.020 1 449 321 45 ILE HB H 1.645 0.020 1 450 321 45 ILE HD1 H 1.156 0.020 1 451 321 45 ILE HG12 H 1.702 0.020 2 452 321 45 ILE HG13 H 1.100 0.020 2 453 321 45 ILE HG2 H 0.945 0.020 1 454 321 45 ILE C C 175.132 0.3 1 455 321 45 ILE CA C 63.780 0.3 1 456 321 45 ILE CB C 35.838 0.3 1 457 321 45 ILE CD1 C 11.455 0.3 1 458 321 45 ILE CG1 C 28.128 0.3 1 459 321 45 ILE CG2 C 13.971 0.3 1 460 321 45 ILE N N 127.995 0.3 1 461 322 46 SER H H 8.625 0.020 1 462 322 46 SER HA H 3.741 0.020 1 463 322 46 SER HB2 H 3.797 0.020 1 464 322 46 SER C C 171.999 0.3 1 465 322 46 SER CA C 57.027 0.3 1 466 322 46 SER CB C 59.745 0.3 1 467 322 46 SER N N 112.593 0.3 1 468 323 47 SER H H 7.487 0.020 1 469 323 47 SER HA H 4.092 0.020 1 470 323 47 SER HB2 H 4.062 0.020 2 471 323 47 SER HB3 H 3.829 0.020 2 472 323 47 SER C C 171.045 0.3 1 473 323 47 SER CA C 57.530 0.3 1 474 323 47 SER CB C 60.086 0.3 1 475 323 47 SER N N 116.803 0.3 1 476 324 48 LEU H H 6.986 0.020 1 477 324 48 LEU HA H 4.205 0.020 1 478 324 48 LEU HB2 H 0.711 0.020 2 479 324 48 LEU HB3 H 0.493 0.020 2 480 324 48 LEU HD1 H -0.327 0.020 1 481 324 48 LEU HD2 H 0.292 0.020 1 482 324 48 LEU HG H -0.113 0.020 1 483 324 48 LEU C C 173.329 0.3 1 484 324 48 LEU CA C 52.668 0.3 1 485 324 48 LEU CB C 40.743 0.3 1 486 324 48 LEU CD1 C 21.236 0.3 1 487 324 48 LEU CD2 C 19.987 0.3 1 488 324 48 LEU CG C 22.681 0.3 1 489 324 48 LEU N N 122.829 0.3 1 490 325 49 TRP H H 7.905 0.020 1 491 325 49 TRP HA H 5.280 0.020 1 492 325 49 TRP HB2 H 2.911 0.020 2 493 325 49 TRP HB3 H 2.694 0.020 2 494 325 49 TRP HE1 H 9.398 0.020 1 495 325 49 TRP CA C 50.322 0.3 1 496 325 49 TRP CB C 25.932 0.3 1 497 325 49 TRP N N 116.968 0.3 1 498 325 49 TRP NE1 N 126.211 0.3 1 499 326 50 PRO HA H 4.267 0.020 1 500 326 50 PRO HB2 H 2.378 0.020 2 501 326 50 PRO HB3 H 1.885 0.020 2 502 326 50 PRO HD2 H 3.243 0.020 1 503 326 50 PRO HG2 H 1.965 0.020 2 504 326 50 PRO HG3 H 1.871 0.020 2 505 326 50 PRO C C 175.170 0.3 1 506 326 50 PRO CA C 61.695 0.3 1 507 326 50 PRO CB C 29.068 0.3 1 508 326 50 PRO CD C 47.567 0.3 1 509 326 50 PRO CG C 23.735 0.3 1 510 327 51 THR H H 8.358 0.020 1 511 327 51 THR HA H 4.254 0.020 1 512 327 51 THR HB H 4.406 0.020 1 513 327 51 THR HG2 H 1.097 0.020 1 514 327 51 THR C C 171.867 0.3 1 515 327 51 THR CA C 58.671 0.3 1 516 327 51 THR CB C 65.743 0.3 1 517 327 51 THR CG2 C 18.234 0.3 1 518 327 51 THR N N 107.723 0.3 1 519 328 52 LEU H H 7.185 0.020 1 520 328 52 LEU HA H 3.738 0.020 1 521 328 52 LEU HB2 H 1.371 0.020 2 522 328 52 LEU HB3 H 0.886 0.020 2 523 328 52 LEU HD1 H -0.112 0.020 1 524 328 52 LEU HD2 H -0.332 0.020 1 525 328 52 LEU HG H 0.497 0.020 1 526 328 52 LEU CA C 49.547 0.3 1 527 328 52 LEU CB C 36.947 0.3 1 528 328 52 LEU CD1 C 21.423 0.3 1 529 328 52 LEU CD2 C 19.771 0.3 1 530 328 52 LEU CG C 25.206 0.3 1 531 328 52 LEU N N 125.801 0.3 1 532 329 53 PRO HA H 4.345 0.020 1 533 329 53 PRO HB2 H 1.953 0.020 2 534 329 53 PRO HB3 H 1.824 0.020 2 535 329 53 PRO HD2 H 2.657 0.020 2 536 329 53 PRO HD3 H 2.075 0.020 2 537 329 53 PRO HG2 H 1.593 0.020 2 538 329 53 PRO HG3 H 1.209 0.020 2 539 329 53 PRO C C 171.395 0.3 1 540 329 53 PRO CA C 59.157 0.3 1 541 329 53 PRO CB C 28.600 0.3 1 542 329 53 PRO CD C 46.228 0.3 1 543 329 53 PRO CG C 23.257 0.3 1 544 330 54 SER H H 7.363 0.020 1 545 330 54 SER HA H 4.289 0.020 1 546 330 54 SER HB2 H 3.629 0.020 2 547 330 54 SER HB3 H 3.583 0.020 2 548 330 54 SER C C 171.885 0.3 1 549 330 54 SER CA C 54.093 0.3 1 550 330 54 SER CB C 61.222 0.3 1 551 330 54 SER N N 107.805 0.3 1 552 331 55 GLY H H 7.657 0.020 1 553 331 55 GLY HA2 H 3.904 0.020 2 554 331 55 GLY HA3 H 3.588 0.020 2 555 331 55 GLY C C 172.331 0.3 1 556 331 55 GLY CA C 44.807 0.3 1 557 331 55 GLY N N 109.331 0.3 1 558 332 56 ILE H H 8.125 0.020 1 559 332 56 ILE HA H 3.520 0.020 1 560 332 56 ILE HB H 1.348 0.020 1 561 332 56 ILE HD1 H 0.108 0.020 1 562 332 56 ILE HG12 H 0.988 0.020 2 563 332 56 ILE HG13 H 0.823 0.020 2 564 332 56 ILE HG2 H 0.381 0.020 1 565 332 56 ILE C C 172.132 0.3 1 566 332 56 ILE CA C 57.276 0.3 1 567 332 56 ILE CB C 34.189 0.3 1 568 332 56 ILE CD1 C 7.222 0.3 1 569 332 56 ILE CG1 C 23.698 0.3 1 570 332 56 ILE CG2 C 14.923 0.3 1 571 332 56 ILE N N 122.086 0.3 1 572 333 57 GLU H H 8.511 0.020 1 573 333 57 GLU HA H 4.267 0.020 1 574 333 57 GLU HB2 H 1.916 0.020 2 575 333 57 GLU HB3 H 2.528 0.020 2 576 333 57 GLU HG2 H 2.694 0.020 2 577 333 57 GLU HG3 H 2.313 0.020 2 578 333 57 GLU C C 173.732 0.3 1 579 333 57 GLU CA C 54.579 0.3 1 580 333 57 GLU CB C 29.072 0.3 1 581 333 57 GLU CG C 35.193 0.3 1 582 333 57 GLU N N 123.125 0.3 1 583 334 58 ALA H H 7.638 0.020 1 584 334 58 ALA HA H 5.116 0.020 1 585 334 58 ALA HB H 0.989 0.020 1 586 334 58 ALA C C 172.800 0.3 1 587 334 58 ALA CA C 48.726 0.3 1 588 334 58 ALA CB C 18.627 0.3 1 589 334 58 ALA N N 117.133 0.3 1 590 335 59 ALA H H 8.816 0.020 1 591 335 59 ALA HA H 5.852 0.020 1 592 335 59 ALA HB H 1.045 0.020 1 593 335 59 ALA C C 171.611 0.3 1 594 335 59 ALA CA C 48.537 0.3 1 595 335 59 ALA CB C 20.162 0.3 1 596 335 59 ALA N N 123.708 0.3 1 597 336 60 TYR H H 9.291 0.020 1 598 336 60 TYR HA H 5.224 0.020 1 599 336 60 TYR HB2 H 3.531 0.020 2 600 336 60 TYR HB3 H 2.533 0.020 2 601 336 60 TYR HD1 H 6.766 0.020 1 602 336 60 TYR HE1 H 6.877 0.020 1 603 336 60 TYR C C 168.463 0.3 1 604 336 60 TYR CA C 53.697 0.3 1 605 336 60 TYR CB C 36.679 0.3 1 606 336 60 TYR N N 119.362 0.3 1 607 337 61 GLU H H 9.041 0.020 1 608 337 61 GLU HA H 5.389 0.020 1 609 337 61 GLU HB2 H 2.147 0.020 1 610 337 61 GLU HG2 H 2.208 0.020 1 611 337 61 GLU C C 171.934 0.3 1 612 337 61 GLU CA C 50.570 0.3 1 613 337 61 GLU CB C 29.685 0.3 1 614 337 61 GLU CG C 31.890 0.3 1 615 337 61 GLU N N 118.434 0.3 1 616 338 62 ILE H H 7.885 0.020 1 617 338 62 ILE HA H 3.794 0.020 1 618 338 62 ILE HB H 1.535 0.020 1 619 338 62 ILE HD1 H 0.437 0.020 1 620 338 62 ILE HG12 H -0.627 0.020 1 621 338 62 ILE HG2 H 0.273 0.020 1 622 338 62 ILE C C 174.602 0.3 1 623 338 62 ILE CA C 58.272 0.3 1 624 338 62 ILE CB C 35.548 0.3 1 625 338 62 ILE CD1 C 9.913 0.3 1 626 338 62 ILE CG1 C 22.344 0.3 1 627 338 62 ILE CG2 C 13.426 0.3 1 628 338 62 ILE N N 118.091 0.3 1 629 339 63 GLU H H 9.366 0.020 1 630 339 63 GLU HA H 4.125 0.020 1 631 339 63 GLU HB2 H 2.087 0.020 2 632 339 63 GLU HB3 H 2.034 0.020 2 633 339 63 GLU HG2 H 2.365 0.020 2 634 339 63 GLU HG3 H 2.160 0.020 2 635 339 63 GLU C C 177.935 0.3 1 636 339 63 GLU CA C 57.202 0.3 1 637 339 63 GLU CB C 25.620 0.3 1 638 339 63 GLU CG C 32.808 0.3 1 639 339 63 GLU N N 132.330 0.3 1 640 340 64 ALA H H 8.783 0.020 1 641 340 64 ALA HA H 4.070 0.020 1 642 340 64 ALA HB H 1.422 0.020 1 643 340 64 ALA C C 175.743 0.3 1 644 340 64 ALA CA C 51.234 0.3 1 645 340 64 ALA CB C 15.689 0.3 1 646 340 64 ALA N N 119.775 0.3 1 647 341 65 ARG H H 7.055 0.020 1 648 341 65 ARG HA H 4.399 0.020 1 649 341 65 ARG HB2 H 1.923 0.020 2 650 341 65 ARG HB3 H 1.182 0.020 2 651 341 65 ARG HD2 H 2.955 0.020 1 652 341 65 ARG HG2 H 1.433 0.020 2 653 341 65 ARG HG3 H 1.374 0.020 2 654 341 65 ARG C C 172.301 0.3 1 655 341 65 ARG CA C 51.552 0.3 1 656 341 65 ARG CB C 27.913 0.3 1 657 341 65 ARG CD C 40.373 0.3 1 658 341 65 ARG CG C 24.585 0.3 1 659 341 65 ARG N N 112.345 0.3 1 660 342 66 ASN H H 8.279 0.020 1 661 342 66 ASN HA H 4.275 0.020 1 662 342 66 ASN HB2 H 2.968 0.020 2 663 342 66 ASN HB3 H 2.696 0.020 2 664 342 66 ASN HD21 H 7.484 0.020 1 665 342 66 ASN HD22 H 6.705 0.020 1 666 342 66 ASN C C 171.334 0.3 1 667 342 66 ASN CA C 50.914 0.3 1 668 342 66 ASN CB C 34.153 0.3 1 669 342 66 ASN N N 118.198 0.3 1 670 342 66 ASN ND2 N 112.066 0.3 1 671 343 67 GLN H H 7.084 0.020 1 672 343 67 GLN HA H 4.867 0.020 1 673 343 67 GLN HB2 H 1.653 0.020 2 674 343 67 GLN HB3 H 1.596 0.020 2 675 343 67 GLN HE21 H 7.200 0.020 1 676 343 67 GLN HE22 H 6.382 0.020 1 677 343 67 GLN HG2 H 2.916 0.020 1 678 343 67 GLN C C 173.136 0.3 1 679 343 67 GLN CA C 51.279 0.3 1 680 343 67 GLN CB C 29.302 0.3 1 681 343 67 GLN CG C 38.907 0.3 1 682 343 67 GLN N N 114.052 0.3 1 683 343 67 GLN NE2 N 107.222 0.3 1 684 344 68 VAL H H 8.497 0.020 1 685 344 68 VAL HA H 4.338 0.020 1 686 344 68 VAL HB H 1.305 0.020 1 687 344 68 VAL HG1 H 0.682 0.020 1 688 344 68 VAL HG2 H 0.434 0.020 1 689 344 68 VAL C C 169.067 0.3 1 690 344 68 VAL CA C 58.056 0.3 1 691 344 68 VAL CB C 32.520 0.3 1 692 344 68 VAL CG1 C 20.615 0.3 1 693 344 68 VAL CG2 C 17.802 0.3 1 694 344 68 VAL N N 122.975 0.3 1 695 345 69 PHE H H 9.113 0.020 1 696 345 69 PHE HA H 4.951 0.020 1 697 345 69 PHE HB2 H 2.247 0.020 2 698 345 69 PHE HB3 H 2.199 0.020 2 699 345 69 PHE HD1 H 6.326 0.020 1 700 345 69 PHE C C 171.866 0.3 1 701 345 69 PHE CA C 52.954 0.3 1 702 345 69 PHE CB C 39.400 0.3 1 703 345 69 PHE N N 125.553 0.3 1 704 346 70 LEU H H 8.147 0.020 1 705 346 70 LEU HA H 5.057 0.020 1 706 346 70 LEU HB2 H 1.319 0.020 2 707 346 70 LEU HB3 H 1.098 0.020 2 708 346 70 LEU HD1 H 0.295 0.020 1 709 346 70 LEU HG H -0.115 0.020 1 710 346 70 LEU C C 172.892 0.3 1 711 346 70 LEU CA C 49.993 0.3 1 712 346 70 LEU CB C 41.250 0.3 1 713 346 70 LEU CD1 C 20.673 0.3 1 714 346 70 LEU CD2 C 20.673 0.3 1 715 346 70 LEU CG C 23.061 0.3 1 716 346 70 LEU N N 119.330 0.3 1 717 347 71 PHE H H 8.237 0.020 1 718 347 71 PHE HA H 5.147 0.020 1 719 347 71 PHE HB2 H 2.749 0.020 1 720 347 71 PHE HD2 H 6.986 0.020 1 721 347 71 PHE C C 172.398 0.3 1 722 347 71 PHE CA C 54.852 0.3 1 723 347 71 PHE CB C 39.183 0.3 1 724 347 71 PHE N N 119.845 0.3 1 725 348 72 LYS H H 8.883 0.020 1 726 348 72 LYS HA H 4.395 0.020 1 727 348 72 LYS HB2 H 1.768 0.020 1 728 348 72 LYS HD2 H 1.442 0.020 1 729 348 72 LYS HE2 H 3.409 0.020 1 730 348 72 LYS HG2 H 1.432 0.020 1 731 348 72 LYS C C 173.145 0.3 1 732 348 72 LYS CA C 55.131 0.3 1 733 348 72 LYS CB C 32.752 0.3 1 734 348 72 LYS CD C 26.755 0.3 1 735 348 72 LYS CE C 39.024 0.3 1 736 348 72 LYS CG C 21.986 0.3 1 737 348 72 LYS N N 120.226 0.3 1 738 349 73 ASP H H 10.171 0.020 1 739 349 73 ASP HA H 4.289 0.020 1 740 349 73 ASP HB2 H 3.023 0.020 2 741 349 73 ASP HB3 H 2.917 0.020 2 742 349 73 ASP C C 171.365 0.3 1 743 349 73 ASP CA C 53.562 0.3 1 744 349 73 ASP CB C 36.693 0.3 1 745 349 73 ASP N N 129.292 0.3 1 746 350 74 ASP H H 8.381 0.020 1 747 350 74 ASP HA H 4.306 0.020 1 748 350 74 ASP HB2 H 2.908 0.020 2 749 350 74 ASP HB3 H 2.474 0.020 2 750 350 74 ASP C C 173.264 0.3 1 751 350 74 ASP CA C 49.807 0.3 1 752 350 74 ASP CB C 35.100 0.3 1 753 350 74 ASP N N 118.818 0.3 1 754 351 75 LYS H H 8.166 0.020 1 755 351 75 LYS HA H 5.114 0.020 1 756 351 75 LYS HB2 H 1.759 0.020 2 757 351 75 LYS HB3 H 0.915 0.020 2 758 351 75 LYS HD2 H 1.181 0.020 1 759 351 75 LYS HE2 H 2.803 0.020 1 760 351 75 LYS HG2 H 1.212 0.020 2 761 351 75 LYS HG3 H 1.151 0.020 2 762 351 75 LYS C C 171.002 0.3 1 763 351 75 LYS CA C 51.156 0.3 1 764 351 75 LYS CB C 33.652 0.3 1 765 351 75 LYS CD C 25.303 0.3 1 766 351 75 LYS CE C 39.317 0.3 1 767 351 75 LYS CG C 21.229 0.3 1 768 351 75 LYS N N 122.499 0.3 1 769 352 76 TYR H H 8.392 0.020 1 770 352 76 TYR HA H 5.392 0.020 1 771 352 76 TYR HB2 H 2.142 0.020 2 772 352 76 TYR HB3 H 1.704 0.020 2 773 352 76 TYR HD1 H 6.545 0.020 3 774 352 76 TYR HD2 H 6.494 0.020 3 775 352 76 TYR HE1 H 6.821 0.020 3 776 352 76 TYR HE2 H 6.324 0.020 3 777 352 76 TYR C C 169.532 0.3 1 778 352 76 TYR CA C 52.446 0.3 1 779 352 76 TYR CB C 39.050 0.3 1 780 352 76 TYR N N 114.079 0.3 1 781 353 77 TRP H H 9.165 0.020 1 782 353 77 TRP HA H 3.904 0.020 1 783 353 77 TRP HB2 H 2.420 0.020 1 784 353 77 TRP HE1 H 10.047 0.020 1 785 353 77 TRP CA C 55.618 0.3 1 786 353 77 TRP CB C 30.971 0.3 1 787 353 77 TRP N N 120.069 0.3 1 788 353 77 TRP NE1 N 127.891 0.3 1 789 354 78 LEU H H 8.410 0.020 1 790 354 78 LEU HA H 4.067 0.020 1 791 354 78 LEU HB2 H 0.276 0.020 2 792 354 78 LEU HB3 H -0.001 0.020 2 793 354 78 LEU HD1 H 0.463 0.020 1 794 354 78 LEU HD2 H -0.211 0.020 1 795 354 78 LEU HG H 0.543 0.020 1 796 354 78 LEU C C 170.903 0.3 1 797 354 78 LEU CA C 49.726 0.3 1 798 354 78 LEU CB C 40.111 0.3 1 799 354 78 LEU CD1 C 22.360 0.3 1 800 354 78 LEU CD2 C 18.830 0.3 1 801 354 78 LEU CG C 23.772 0.3 1 802 354 78 LEU N N 125.359 0.3 1 803 355 79 ILE H H 8.947 0.020 1 804 355 79 ILE HA H 3.847 0.020 1 805 355 79 ILE HB H 1.322 0.020 1 806 355 79 ILE HD1 H -0.662 0.020 1 807 355 79 ILE HG12 H 0.162 0.020 1 808 355 79 ILE HG2 H 0.110 0.020 1 809 355 79 ILE C C 172.135 0.3 1 810 355 79 ILE CA C 55.490 0.3 1 811 355 79 ILE CB C 34.465 0.3 1 812 355 79 ILE CD1 C 7.188 0.3 1 813 355 79 ILE CG1 C 23.373 0.3 1 814 355 79 ILE CG2 C 13.766 0.3 1 815 355 79 ILE N N 129.196 0.3 1 816 356 80 SER H H 8.348 0.020 1 817 356 80 SER HA H 5.115 0.020 1 818 356 80 SER HB2 H 3.628 0.020 2 819 356 80 SER HB3 H 3.449 0.020 2 820 356 80 SER C C 172.667 0.3 1 821 356 80 SER CA C 52.801 0.3 1 822 356 80 SER CB C 60.937 0.3 1 823 356 80 SER N N 122.389 0.3 1 824 357 81 ASN H H 8.965 0.020 1 825 357 81 ASN HA H 4.166 0.020 1 826 357 81 ASN HB2 H 2.969 0.020 2 827 357 81 ASN HB3 H 2.547 0.020 2 828 357 81 ASN HD21 H 7.508 0.020 1 829 357 81 ASN HD22 H 6.771 0.020 1 830 357 81 ASN C C 171.665 0.3 1 831 357 81 ASN CA C 52.050 0.3 1 832 357 81 ASN CB C 34.474 0.3 1 833 357 81 ASN N N 127.130 0.3 1 834 357 81 ASN ND2 N 113.217 0.3 1 835 358 82 LEU H H 9.227 0.020 1 836 358 82 LEU HA H 3.444 0.020 1 837 358 82 LEU HB2 H 1.981 0.020 2 838 358 82 LEU HB3 H 1.758 0.020 2 839 358 82 LEU HD1 H 0.786 0.020 1 840 358 82 LEU HD2 H 0.740 0.020 1 841 358 82 LEU HG H 1.534 0.020 1 842 358 82 LEU C C 173.534 0.3 1 843 358 82 LEU CA C 54.134 0.3 1 844 358 82 LEU CB C 37.124 0.3 1 845 358 82 LEU CD1 C 21.574 0.3 1 846 358 82 LEU CD2 C 19.917 0.3 1 847 358 82 LEU CG C 24.645 0.3 1 848 358 82 LEU N N 108.385 0.3 1 849 359 83 ARG H H 7.946 0.020 1 850 359 83 ARG HA H 5.061 0.020 1 851 359 83 ARG HB2 H 1.802 0.020 2 852 359 83 ARG HB3 H 1.702 0.020 2 853 359 83 ARG HD2 H 1.654 0.020 2 854 359 83 ARG HD3 H 1.544 0.020 2 855 359 83 ARG HG2 H 3.187 0.020 2 856 359 83 ARG HG3 H 3.133 0.020 2 857 359 83 ARG CA C 49.784 0.3 1 858 359 83 ARG CB C 28.505 0.3 1 859 359 83 ARG CD C 23.472 0.3 1 860 359 83 ARG CG C 40.334 0.3 1 861 359 83 ARG N N 123.572 0.3 1 862 360 84 PRO HA H 4.190 0.020 1 863 360 84 PRO HB2 H 1.814 0.020 2 864 360 84 PRO HB3 H 1.699 0.020 2 865 360 84 PRO HD2 H 3.799 0.020 2 866 360 84 PRO HD3 H 3.685 0.020 2 867 360 84 PRO HG2 H 2.060 0.020 2 868 360 84 PRO HG3 H 1.267 0.020 2 869 360 84 PRO C C 174.000 0.3 1 870 360 84 PRO CA C 60.132 0.3 1 871 360 84 PRO CB C 28.148 0.3 1 872 360 84 PRO CD C 48.229 0.3 1 873 360 84 PRO CG C 24.342 0.3 1 874 361 85 GLU H H 8.015 0.020 1 875 361 85 GLU HA H 4.509 0.020 1 876 361 85 GLU HB2 H 2.087 0.020 2 877 361 85 GLU HB3 H 1.593 0.020 2 878 361 85 GLU HG2 H 2.045 0.020 2 879 361 85 GLU HG3 H 1.923 0.020 2 880 361 85 GLU CA C 51.720 0.3 1 881 361 85 GLU CB C 26.772 0.3 1 882 361 85 GLU CG C 33.044 0.3 1 883 361 85 GLU N N 126.544 0.3 1 884 362 86 PRO HA H 4.452 0.020 1 885 362 86 PRO HB2 H 2.214 0.020 2 886 362 86 PRO HB3 H 1.796 0.020 2 887 362 86 PRO HD2 H 3.072 0.020 2 888 362 86 PRO HD3 H 2.816 0.020 2 889 362 86 PRO HG2 H 1.945 0.020 2 890 362 86 PRO HG3 H 1.495 0.020 2 891 362 86 PRO C C 173.998 0.3 1 892 362 86 PRO CA C 59.776 0.3 1 893 362 86 PRO CB C 28.763 0.3 1 894 362 86 PRO CD C 46.951 0.3 1 895 362 86 PRO CG C 23.980 0.3 1 896 363 87 ASN H H 8.769 0.020 1 897 363 87 ASN HA H 4.117 0.020 1 898 363 87 ASN HB2 H 2.749 0.020 2 899 363 87 ASN HB3 H 2.584 0.020 2 900 363 87 ASN HD21 H 7.309 0.020 1 901 363 87 ASN HD22 H 6.823 0.020 1 902 363 87 ASN C C 169.869 0.3 1 903 363 87 ASN CA C 51.359 0.3 1 904 363 87 ASN CB C 33.230 0.3 1 905 363 87 ASN N N 112.428 0.3 1 906 363 87 ASN ND2 N 113.438 0.3 1 907 364 88 TYR H H 7.192 0.020 1 908 364 88 TYR HA H 3.643 0.020 1 909 364 88 TYR HB2 H 2.694 0.020 2 910 364 88 TYR HB3 H 2.473 0.020 2 911 364 88 TYR HD1 H 6.821 0.020 1 912 364 88 TYR HE1 H 6.379 0.020 1 913 364 88 TYR CA C 53.930 0.3 1 914 364 88 TYR CB C 35.542 0.3 1 915 364 88 TYR N N 116.143 0.3 1 916 365 89 PRO HA H 4.014 0.020 1 917 365 89 PRO HB2 H 0.895 0.020 2 918 365 89 PRO HB3 H -0.298 0.020 2 919 365 89 PRO HD2 H 3.404 0.020 2 920 365 89 PRO HD3 H 3.216 0.020 2 921 365 89 PRO HG2 H 1.240 0.020 1 922 365 89 PRO C C 173.000 0.3 1 923 365 89 PRO CA C 57.947 0.3 1 924 365 89 PRO CB C 31.898 0.3 1 925 365 89 PRO CD C 47.904 0.3 1 926 365 89 PRO CG C 20.185 0.3 1 927 366 90 LYS H H 7.716 0.020 1 928 366 90 LYS HA H 4.205 0.020 1 929 366 90 LYS HB2 H 1.450 0.020 2 930 366 90 LYS HB3 H 0.671 0.020 2 931 366 90 LYS HD2 H 1.264 0.020 2 932 366 90 LYS HD3 H 1.177 0.020 2 933 366 90 LYS HE2 H 2.692 0.020 1 934 366 90 LYS HG2 H 1.195 0.020 1 935 366 90 LYS C C 171.631 0.3 1 936 366 90 LYS CA C 51.344 0.3 1 937 366 90 LYS CB C 33.361 0.3 1 938 366 90 LYS CD C 25.412 0.3 1 939 366 90 LYS CE C 39.321 0.3 1 940 366 90 LYS CG C 21.266 0.3 1 941 366 90 LYS N N 119.106 0.3 1 942 367 91 SER H H 8.200 0.020 1 943 367 91 SER HA H 4.785 0.020 1 944 367 91 SER HB2 H 3.960 0.020 2 945 367 91 SER HB3 H 3.685 0.020 2 946 367 91 SER C C 176.535 0.3 1 947 367 91 SER CA C 54.507 0.3 1 948 367 91 SER CB C 60.816 0.3 1 949 367 91 SER N N 111.685 0.3 1 950 368 92 ILE H H 8.573 0.020 1 951 368 92 ILE HA H 4.178 0.020 1 952 368 92 ILE HB H 1.599 0.020 1 953 368 92 ILE HD1 H -0.057 0.020 1 954 368 92 ILE HG12 H 0.659 0.020 2 955 368 92 ILE HG13 H 0.218 0.020 2 956 368 92 ILE HG2 H 0.878 0.020 1 957 368 92 ILE C C 174.389 0.3 1 958 368 92 ILE CA C 62.015 0.3 1 959 368 92 ILE CB C 34.479 0.3 1 960 368 92 ILE CD1 C 9.697 0.3 1 961 368 92 ILE CG1 C 20.547 0.3 1 962 368 92 ILE CG2 C 14.763 0.3 1 963 368 92 ILE N N 121.296 0.3 1 964 369 93 HIS H H 8.306 0.020 1 965 369 93 HIS HA H 4.070 0.020 1 966 369 93 HIS HB2 H 3.244 0.020 2 967 369 93 HIS HB3 H 2.893 0.020 2 968 369 93 HIS HD2 H 10.348 0.020 1 969 369 93 HIS C C 174.732 0.3 1 970 369 93 HIS CA C 58.100 0.3 1 971 369 93 HIS CB C 25.465 0.3 1 972 369 93 HIS N N 120.846 0.3 1 973 370 94 SER H H 7.960 0.020 1 974 370 94 SER HA H 4.069 0.020 1 975 370 94 SER HB2 H 3.794 0.020 2 976 370 94 SER HB3 H 3.728 0.020 2 977 370 94 SER C C 172.938 0.3 1 978 370 94 SER CA C 58.288 0.3 1 979 370 94 SER CB C 59.996 0.3 1 980 370 94 SER N N 118.041 0.3 1 981 371 95 PHE H H 7.506 0.020 1 982 371 95 PHE HA H 3.704 0.020 1 983 371 95 PHE HB2 H 2.196 0.020 2 984 371 95 PHE HB3 H 1.813 0.020 2 985 371 95 PHE C C 172.601 0.3 1 986 371 95 PHE CA C 57.503 0.3 1 987 371 95 PHE CB C 36.283 0.3 1 988 371 95 PHE N N 117.617 0.3 1 989 372 96 GLY H H 7.493 0.020 1 990 372 96 GLY HA2 H 4.123 0.020 2 991 372 96 GLY HA3 H 3.516 0.020 2 992 372 96 GLY C C 172.274 0.3 1 993 372 96 GLY CA C 40.984 0.3 1 994 372 96 GLY N N 100.068 0.3 1 995 373 97 PHE H H 5.875 0.020 1 996 373 97 PHE HA H 3.760 0.020 1 997 373 97 PHE HB2 H 2.251 0.020 2 998 373 97 PHE HB3 H 1.761 0.020 2 999 373 97 PHE HD2 H 5.730 0.020 1 1000 373 97 PHE CA C 53.834 0.3 1 1001 373 97 PHE CB C 35.547 0.3 1 1002 373 97 PHE N N 115.400 0.3 1 1003 374 98 PRO HA H 4.399 0.020 1 1004 374 98 PRO HB2 H 2.276 0.020 2 1005 374 98 PRO HB3 H 1.247 0.020 2 1006 374 98 PRO HD2 H 3.726 0.020 2 1007 374 98 PRO HD3 H 2.992 0.020 2 1008 374 98 PRO HG2 H 1.980 0.020 2 1009 374 98 PRO HG3 H 1.452 0.020 2 1010 374 98 PRO CA C 58.908 0.3 1 1011 374 98 PRO CB C 29.421 0.3 1 1012 374 98 PRO CD C 46.783 0.3 1 1013 374 98 PRO CG C 24.711 0.3 1 1014 375 99 ASN H H 7.183 0.020 1 1015 375 99 ASN HA H 3.686 0.020 1 1016 375 99 ASN HB2 H 2.581 0.020 2 1017 375 99 ASN HB3 H 2.568 0.020 2 1018 375 99 ASN HD21 H 7.424 0.020 1 1019 375 99 ASN HD22 H 6.763 0.020 1 1020 375 99 ASN C C 172.530 0.3 1 1021 375 99 ASN CA C 52.561 0.3 1 1022 375 99 ASN CB C 34.660 0.3 1 1023 375 99 ASN N N 115.965 0.3 1 1024 375 99 ASN ND2 N 111.943 0.3 1 1025 376 100 PHE H H 6.822 0.020 1 1026 376 100 PHE HA H 4.455 0.020 1 1027 376 100 PHE HB2 H 3.403 0.020 2 1028 376 100 PHE HB3 H 2.859 0.020 2 1029 376 100 PHE C C 172.935 0.3 1 1030 376 100 PHE CA C 54.146 0.3 1 1031 376 100 PHE CB C 34.231 0.3 1 1032 376 100 PHE N N 111.355 0.3 1 1033 377 101 VAL H H 7.187 0.020 1 1034 377 101 VAL HA H 3.578 0.020 1 1035 377 101 VAL HB H 1.484 0.020 1 1036 377 101 VAL HG1 H -0.170 0.020 1 1037 377 101 VAL HG2 H 0.107 0.020 1 1038 377 101 VAL C C 171.935 0.3 1 1039 377 101 VAL CA C 60.772 0.3 1 1040 377 101 VAL CB C 27.940 0.3 1 1041 377 101 VAL CG1 C 17.686 0.3 1 1042 377 101 VAL CG2 C 19.485 0.3 1 1043 377 101 VAL N N 124.857 0.3 1 1044 378 102 LYS H H 8.452 0.020 1 1045 378 102 LYS HA H 4.278 0.020 1 1046 378 102 LYS HB2 H 1.869 0.020 2 1047 378 102 LYS HB3 H 1.538 0.020 2 1048 378 102 LYS HD2 H 1.593 0.020 1 1049 378 102 LYS HE2 H 2.912 0.020 1 1050 378 102 LYS HG2 H 1.336 0.020 1 1051 378 102 LYS C C 171.666 0.3 1 1052 378 102 LYS CA C 51.623 0.3 1 1053 378 102 LYS CB C 30.482 0.3 1 1054 378 102 LYS CD C 25.282 0.3 1 1055 378 102 LYS CE C 39.082 0.3 1 1056 378 102 LYS CG C 20.935 0.3 1 1057 378 102 LYS N N 125.400 0.3 1 1058 379 103 LYS H H 7.164 0.020 1 1059 379 103 LYS HA H 4.405 0.020 1 1060 379 103 LYS HB2 H 1.891 0.020 2 1061 379 103 LYS HB3 H 1.851 0.020 2 1062 379 103 LYS HD2 H 1.564 0.020 1 1063 379 103 LYS HE2 H 2.889 0.020 1 1064 379 103 LYS HG2 H 1.153 0.020 2 1065 379 103 LYS HG3 H 1.046 0.020 2 1066 379 103 LYS C C 170.078 0.3 1 1067 379 103 LYS CA C 51.664 0.3 1 1068 379 103 LYS CB C 30.462 0.3 1 1069 379 103 LYS CD C 26.237 0.3 1 1070 379 103 LYS CE C 39.099 0.3 1 1071 379 103 LYS CG C 19.700 0.3 1 1072 379 103 LYS N N 114.409 0.3 1 1073 380 104 ILE H H 9.791 0.020 1 1074 380 104 ILE HA H 3.905 0.020 1 1075 380 104 ILE HB H 1.374 0.020 1 1076 380 104 ILE HD1 H -0.785 0.020 1 1077 380 104 ILE HG12 H 0.659 0.020 1 1078 380 104 ILE HG2 H 0.206 0.020 1 1079 380 104 ILE C C 172.065 0.3 1 1080 380 104 ILE CA C 55.349 0.3 1 1081 380 104 ILE CB C 34.563 0.3 1 1082 380 104 ILE CD1 C 7.290 0.3 1 1083 380 104 ILE CG1 C 23.433 0.3 1 1084 380 104 ILE CG2 C 14.898 0.3 1 1085 380 104 ILE N N 120.698 0.3 1 1086 381 105 ASP H H 8.430 0.020 1 1087 381 105 ASP HA H 4.896 0.020 1 1088 381 105 ASP HB2 H 3.306 0.020 2 1089 381 105 ASP HB3 H 2.774 0.020 2 1090 381 105 ASP C C 173.069 0.3 1 1091 381 105 ASP CA C 52.846 0.3 1 1092 381 105 ASP CB C 38.375 0.3 1 1093 381 105 ASP N N 121.435 0.3 1 1094 382 106 ALA H H 7.912 0.020 1 1095 382 106 ALA HA H 5.335 0.020 1 1096 382 106 ALA HB H 1.328 0.020 1 1097 382 106 ALA C C 172.093 0.3 1 1098 382 106 ALA CA C 49.046 0.3 1 1099 382 106 ALA CB C 18.860 0.3 1 1100 382 106 ALA N N 118.289 0.3 1 1101 383 107 ALA H H 8.893 0.020 1 1102 383 107 ALA HA H 5.502 0.020 1 1103 383 107 ALA HB H 0.823 0.020 1 1104 383 107 ALA C C 171.104 0.3 1 1105 383 107 ALA CA C 48.248 0.3 1 1106 383 107 ALA CB C 20.523 0.3 1 1107 383 107 ALA N N 124.233 0.3 1 1108 384 108 VAL H H 8.022 0.020 1 1109 384 108 VAL HA H 4.517 0.020 1 1110 384 108 VAL HB H 2.252 0.020 1 1111 384 108 VAL HG1 H 1.044 0.020 1 1112 384 108 VAL HG2 H 0.354 0.020 1 1113 384 108 VAL C C 167.729 0.3 1 1114 384 108 VAL CA C 58.048 0.3 1 1115 384 108 VAL CB C 30.458 0.3 1 1116 384 108 VAL CG1 C 20.277 0.3 1 1117 384 108 VAL CG2 C 14.819 0.3 1 1118 384 108 VAL N N 113.088 0.3 1 1119 385 109 PHE H H 9.035 0.020 1 1120 385 109 PHE HA H 5.061 0.020 1 1121 385 109 PHE HB2 H 3.353 0.020 1 1122 385 109 PHE HE1 H 7.534 0.020 1 1123 385 109 PHE C C 171.368 0.3 1 1124 385 109 PHE CA C 52.820 0.3 1 1125 385 109 PHE CB C 37.233 0.3 1 1126 385 109 PHE N N 129.580 0.3 1 1127 386 110 ASN H H 8.756 0.020 1 1128 386 110 ASN HA H 4.400 0.020 1 1129 386 110 ASN HB2 H 2.804 0.020 2 1130 386 110 ASN HB3 H 2.363 0.020 2 1131 386 110 ASN CA C 45.177 0.3 1 1132 386 110 ASN CB C 36.606 0.3 1 1133 386 110 ASN N N 126.284 0.3 1 1134 387 111 PRO HA H 3.587 0.020 1 1135 387 111 PRO HB2 H 1.923 0.020 2 1136 387 111 PRO HB3 H 2.277 0.020 2 1137 387 111 PRO HD2 H 3.079 0.020 2 1138 387 111 PRO HD3 H 2.308 0.020 2 1139 387 111 PRO HG2 H 1.897 0.020 2 1140 387 111 PRO HG3 H 1.758 0.020 2 1141 387 111 PRO C C 174.531 0.3 1 1142 387 111 PRO CA C 60.578 0.3 1 1143 387 111 PRO CB C 29.050 0.3 1 1144 387 111 PRO CD C 47.582 0.3 1 1145 387 111 PRO CG C 23.562 0.3 1 1146 388 112 ARG H H 7.581 0.020 1 1147 388 112 ARG HA H 3.925 0.020 1 1148 388 112 ARG HB2 H 1.428 0.020 2 1149 388 112 ARG HB3 H 1.317 0.020 2 1150 388 112 ARG HD2 H 3.135 0.020 2 1151 388 112 ARG HD3 H 2.968 0.020 2 1152 388 112 ARG HG2 H 1.262 0.020 1 1153 388 112 ARG C C 174.944 0.3 1 1154 388 112 ARG CA C 55.045 0.3 1 1155 388 112 ARG CB C 25.826 0.3 1 1156 388 112 ARG CD C 40.303 0.3 1 1157 388 112 ARG CG C 23.706 0.3 1 1158 388 112 ARG N N 117.668 0.3 1 1159 389 113 PHE H H 6.668 0.020 1 1160 389 113 PHE HA H 4.839 0.020 1 1161 389 113 PHE HB2 H 3.334 0.020 2 1162 389 113 PHE HB3 H 2.270 0.020 2 1163 389 113 PHE C C 172.203 0.3 1 1164 389 113 PHE CA C 51.465 0.3 1 1165 389 113 PHE CB C 36.583 0.3 1 1166 389 113 PHE N N 113.789 0.3 1 1167 390 114 TYR H H 8.335 0.020 1 1168 390 114 TYR HA H 3.632 0.020 1 1169 390 114 TYR HB2 H 3.682 0.020 2 1170 390 114 TYR HB3 H 2.746 0.020 2 1171 390 114 TYR HD1 H 7.151 0.020 1 1172 390 114 TYR HE1 H 6.985 0.020 1 1173 390 114 TYR C C 171.964 0.3 1 1174 390 114 TYR CA C 57.191 0.3 1 1175 390 114 TYR CB C 34.042 0.3 1 1176 390 114 TYR N N 123.732 0.3 1 1177 391 115 ARG H H 6.700 0.020 1 1178 391 115 ARG HA H 5.170 0.020 1 1179 391 115 ARG HB2 H 1.263 0.020 2 1180 391 115 ARG HB3 H 1.096 0.020 2 1181 391 115 ARG HD2 H 3.105 0.020 2 1182 391 115 ARG HD3 H 2.618 0.020 2 1183 391 115 ARG HG2 H 1.077 0.020 1 1184 391 115 ARG C C 170.734 0.3 1 1185 391 115 ARG CA C 49.671 0.3 1 1186 391 115 ARG CB C 32.433 0.3 1 1187 391 115 ARG CD C 40.261 0.3 1 1188 391 115 ARG CG C 23.988 0.3 1 1189 391 115 ARG N N 113.668 0.3 1 1190 392 116 THR H H 9.078 0.020 1 1191 392 116 THR HA H 4.675 0.020 1 1192 392 116 THR HB H 3.190 0.020 1 1193 392 116 THR HG2 H -1.211 0.020 1 1194 392 116 THR C C 169.879 0.3 1 1195 392 116 THR CA C 57.906 0.3 1 1196 392 116 THR CB C 65.689 0.3 1 1197 392 116 THR CG2 C 18.087 0.3 1 1198 392 116 THR N N 121.756 0.3 1 1199 393 117 TYR H H 8.838 0.020 1 1200 393 117 TYR HA H 4.564 0.020 1 1201 393 117 TYR HB2 H 2.529 0.020 2 1202 393 117 TYR HB3 H 1.980 0.020 2 1203 393 117 TYR HD1 H 6.382 0.020 3 1204 393 117 TYR HD2 H 6.927 0.020 3 1205 393 117 TYR HE1 H 6.401 0.020 1 1206 393 117 TYR C C 170.602 0.3 1 1207 393 117 TYR CA C 53.407 0.3 1 1208 393 117 TYR CB C 36.885 0.3 1 1209 393 117 TYR N N 125.966 0.3 1 1210 394 118 PHE H H 8.390 0.020 1 1211 394 118 PHE HA H 4.861 0.020 1 1212 394 118 PHE HB2 H 2.583 0.020 1 1213 394 118 PHE HD1 H 6.713 0.020 1 1214 394 118 PHE C C 171.743 0.3 1 1215 394 118 PHE CA C 53.124 0.3 1 1216 394 118 PHE CB C 40.043 0.3 1 1217 394 118 PHE N N 119.052 0.3 1 1218 395 119 PHE H H 8.914 0.020 1 1219 395 119 PHE HA H 4.999 0.020 1 1220 395 119 PHE HB2 H 3.138 0.020 2 1221 395 119 PHE HB3 H 2.805 0.020 2 1222 395 119 PHE HD1 H 6.876 0.020 1 1223 395 119 PHE HE1 H 6.326 0.020 1 1224 395 119 PHE C C 172.137 0.3 1 1225 395 119 PHE CA C 54.939 0.3 1 1226 395 119 PHE CB C 36.488 0.3 1 1227 395 119 PHE N N 122.638 0.3 1 1228 396 120 VAL H H 9.567 0.020 1 1229 396 120 VAL HA H 4.068 0.020 1 1230 396 120 VAL HB H 2.418 0.020 1 1231 396 120 VAL HG1 H 0.713 0.020 1 1232 396 120 VAL HG2 H 1.006 0.020 1 1233 396 120 VAL C C 172.470 0.3 1 1234 396 120 VAL CA C 59.359 0.3 1 1235 396 120 VAL CB C 32.253 0.3 1 1236 396 120 VAL CG1 C 17.124 0.3 1 1237 396 120 VAL CG2 C 18.115 0.3 1 1238 396 120 VAL N N 124.542 0.3 1 1239 397 121 ASP H H 9.544 0.020 1 1240 397 121 ASP HA H 4.124 0.020 1 1241 397 121 ASP HB2 H 2.970 0.020 1 1242 397 121 ASP C C 171.030 0.3 1 1243 397 121 ASP CA C 53.879 0.3 1 1244 397 121 ASP CB C 36.429 0.3 1 1245 397 121 ASP N N 131.332 0.3 1 1246 398 122 ASN H H 8.200 0.020 1 1247 398 122 ASN HA H 5.452 0.020 1 1248 398 122 ASN HB2 H 3.111 0.020 2 1249 398 122 ASN HB3 H 2.791 0.020 2 1250 398 122 ASN HD21 H 7.377 0.020 1 1251 398 122 ASN HD22 H 6.883 0.020 1 1252 398 122 ASN C C 173.535 0.3 1 1253 398 122 ASN CA C 50.240 0.3 1 1254 398 122 ASN CB C 35.199 0.3 1 1255 398 122 ASN N N 117.629 0.3 1 1256 398 122 ASN ND2 N 110.471 0.3 1 1257 399 123 GLN H H 8.646 0.020 1 1258 399 123 GLN HA H 5.555 0.020 1 1259 399 123 GLN HB2 H 1.979 0.020 2 1260 399 123 GLN HB3 H 1.893 0.020 2 1261 399 123 GLN HE21 H 7.612 0.020 1 1262 399 123 GLN HE22 H 6.692 0.020 1 1263 399 123 GLN HG2 H 2.969 0.020 1 1264 399 123 GLN C C 170.561 0.3 1 1265 399 123 GLN CA C 51.763 0.3 1 1266 399 123 GLN CB C 32.028 0.3 1 1267 399 123 GLN CG C 38.805 0.3 1 1268 399 123 GLN N N 121.071 0.3 1 1269 399 123 GLN NE2 N 109.764 0.3 1 1270 400 124 TYR H H 8.968 0.020 1 1271 400 124 TYR HA H 5.882 0.020 1 1272 400 124 TYR HB2 H 2.694 0.020 2 1273 400 124 TYR HB3 H 2.140 0.020 2 1274 400 124 TYR HD1 H 6.763 0.020 1 1275 400 124 TYR HE1 H 6.709 0.020 1 1276 400 124 TYR C C 169.469 0.3 1 1277 400 124 TYR CA C 53.327 0.3 1 1278 400 124 TYR CB C 39.187 0.3 1 1279 400 124 TYR N N 114.079 0.3 1 1280 401 125 TRP H H 9.284 0.020 1 1281 401 125 TRP HA H 4.234 0.020 1 1282 401 125 TRP HB2 H 3.574 0.020 2 1283 401 125 TRP HB3 H 2.858 0.020 2 1284 401 125 TRP HE1 H 10.336 0.020 1 1285 401 125 TRP CA C 55.263 0.3 1 1286 401 125 TRP CB C 32.084 0.3 1 1287 401 125 TRP N N 121.370 0.3 1 1288 401 125 TRP NE1 N 128.078 0.3 1 1289 402 126 ARG H H 7.891 0.020 1 1290 402 126 ARG HA H 4.581 0.020 1 1291 402 126 ARG HB2 H 0.945 0.020 1 1292 402 126 ARG HD2 H 2.758 0.020 1 1293 402 126 ARG HG2 H 1.236 0.020 1 1294 402 126 ARG C C 168.745 0.3 1 1295 402 126 ARG CA C 51.042 0.3 1 1296 402 126 ARG CB C 31.828 0.3 1 1297 402 126 ARG CD C 38.783 0.3 1 1298 402 126 ARG CG C 20.117 0.3 1 1299 402 126 ARG N N 121.426 0.3 1 1300 403 127 TYR H H 9.538 0.020 1 1301 403 127 TYR HA H 4.454 0.020 1 1302 403 127 TYR HB2 H 2.695 0.020 1 1303 403 127 TYR C C 171.133 0.3 1 1304 403 127 TYR CA C 54.842 0.3 1 1305 403 127 TYR CB C 40.128 0.3 1 1306 403 127 TYR N N 129.386 0.3 1 1307 404 128 ASP H H 8.186 0.020 1 1308 404 128 ASP HA H 4.430 0.020 1 1309 404 128 ASP HB2 H 2.914 0.020 2 1310 404 128 ASP HB3 H 2.586 0.020 2 1311 404 128 ASP C C 173.865 0.3 1 1312 404 128 ASP CA C 50.239 0.3 1 1313 404 128 ASP CB C 37.374 0.3 1 1314 404 128 ASP N N 127.039 0.3 1 1315 405 129 GLU H H 7.384 0.020 1 1316 405 129 GLU HA H 4.235 0.020 1 1317 405 129 GLU HB2 H 2.250 0.020 1 1318 405 129 GLU HG2 H 2.389 0.020 1 1319 405 129 GLU C C 176.201 0.3 1 1320 405 129 GLU CA C 54.683 0.3 1 1321 405 129 GLU CB C 26.494 0.3 1 1322 405 129 GLU CG C 30.647 0.3 1 1323 405 129 GLU N N 123.481 0.3 1 1324 406 130 ARG H H 8.858 0.020 1 1325 406 130 ARG HA H 4.180 0.020 1 1326 406 130 ARG HB2 H 1.869 0.020 2 1327 406 130 ARG HB3 H 1.756 0.020 2 1328 406 130 ARG HD2 H 2.915 0.020 2 1329 406 130 ARG HD3 H 2.802 0.020 2 1330 406 130 ARG HG2 H 1.554 0.020 2 1331 406 130 ARG HG3 H 1.319 0.020 2 1332 406 130 ARG C C 175.337 0.3 1 1333 406 130 ARG CA C 55.932 0.3 1 1334 406 130 ARG CB C 26.494 0.3 1 1335 406 130 ARG CD C 40.050 0.3 1 1336 406 130 ARG CG C 24.683 0.3 1 1337 406 130 ARG N N 119.527 0.3 1 1338 407 131 ARG H H 7.311 0.020 1 1339 407 131 ARG HA H 4.014 0.020 1 1340 407 131 ARG HB2 H 1.703 0.020 2 1341 407 131 ARG HB3 H 1.152 0.020 2 1342 407 131 ARG HD2 H 3.048 0.020 1 1343 407 131 ARG HG2 H 1.535 0.020 2 1344 407 131 ARG HG3 H 1.375 0.020 2 1345 407 131 ARG C C 172.536 0.3 1 1346 407 131 ARG CA C 53.082 0.3 1 1347 407 131 ARG CB C 28.002 0.3 1 1348 407 131 ARG CD C 40.077 0.3 1 1349 407 131 ARG CG C 24.635 0.3 1 1350 407 131 ARG N N 116.427 0.3 1 1351 408 132 GLN H H 7.812 0.020 1 1352 408 132 GLN HA H 3.388 0.020 1 1353 408 132 GLN HB2 H 2.141 0.020 2 1354 408 132 GLN HB3 H 1.922 0.020 2 1355 408 132 GLN HE21 H 7.788 0.020 1 1356 408 132 GLN HE22 H 6.730 0.020 1 1357 408 132 GLN HG2 H 2.089 0.020 1 1358 408 132 GLN C C 171.234 0.3 1 1359 408 132 GLN CA C 53.760 0.3 1 1360 408 132 GLN CB C 22.307 0.3 1 1361 408 132 GLN CG C 31.337 0.3 1 1362 408 132 GLN N N 115.450 0.3 1 1363 408 132 GLN NE2 N 113.605 0.3 1 1364 409 133 MET H H 6.761 0.020 1 1365 409 133 MET HA H 4.509 0.020 1 1366 409 133 MET HB2 H 1.860 0.020 2 1367 409 133 MET HB3 H 1.593 0.020 2 1368 409 133 MET HG2 H 2.201 0.020 1 1369 409 133 MET C C 171.546 0.3 1 1370 409 133 MET CA C 51.054 0.3 1 1371 409 133 MET CB C 33.787 0.3 1 1372 409 133 MET CG C 27.446 0.3 1 1373 409 133 MET N N 113.536 0.3 1 1374 410 134 MET H H 8.879 0.020 1 1375 410 134 MET HA H 4.562 0.020 1 1376 410 134 MET HB2 H 2.089 0.020 2 1377 410 134 MET HB3 H 2.034 0.020 2 1378 410 134 MET HG2 H 1.651 0.020 1 1379 410 134 MET C C 174.400 0.3 1 1380 410 134 MET CA C 52.316 0.3 1 1381 410 134 MET CB C 29.010 0.3 1 1382 410 134 MET CG C 23.732 0.3 1 1383 410 134 MET N N 122.251 0.3 1 1384 411 135 ASP H H 8.509 0.020 1 1385 411 135 ASP HA H 4.842 0.020 1 1386 411 135 ASP HB2 H 2.750 0.020 2 1387 411 135 ASP HB3 H 2.481 0.020 2 1388 411 135 ASP CA C 50.687 0.3 1 1389 411 135 ASP CB C 37.169 0.3 1 1390 411 135 ASP N N 125.884 0.3 1 1391 412 136 PRO HA H 4.521 0.020 1 1392 412 136 PRO HB2 H 1.818 0.020 2 1393 412 136 PRO HB3 H 2.213 0.020 2 1394 412 136 PRO HD2 H 3.629 0.020 1 1395 412 136 PRO HG2 H 1.926 0.020 2 1396 412 136 PRO HG3 H 1.541 0.020 2 1397 412 136 PRO C C 174.906 0.3 1 1398 412 136 PRO CA C 59.820 0.3 1 1399 412 136 PRO CB C 29.100 0.3 1 1400 412 136 PRO CD C 47.400 0.3 1 1401 412 136 PRO CG C 23.691 0.3 1 1402 413 137 GLY H H 8.550 0.020 1 1403 413 137 GLY HA2 H 3.704 0.020 2 1404 413 137 GLY HA3 H 3.407 0.020 2 1405 413 137 GLY C C 170.199 0.3 1 1406 413 137 GLY CA C 42.299 0.3 1 1407 413 137 GLY N N 107.392 0.3 1 1408 414 138 TYR H H 7.658 0.020 1 1409 414 138 TYR HA H 3.740 0.020 1 1410 414 138 TYR HB2 H 1.812 0.020 2 1411 414 138 TYR HB3 H 2.252 0.020 2 1412 414 138 TYR HD1 H 7.262 0.020 3 1413 414 138 TYR HD2 H 7.153 0.020 3 1414 414 138 TYR HE1 H 6.877 0.020 3 1415 414 138 TYR HE2 H 6.822 0.020 3 1416 414 138 TYR CA C 53.841 0.3 1 1417 414 138 TYR CB C 35.642 0.3 1 1418 414 138 TYR N N 117.876 0.3 1 1419 415 139 PRO HA H 3.947 0.020 1 1420 415 139 PRO HB2 H 1.015 0.020 2 1421 415 139 PRO HB3 H -0.466 0.020 2 1422 415 139 PRO HD2 H 3.134 0.020 1 1423 415 139 PRO HG2 H 1.454 0.020 2 1424 415 139 PRO HG3 H 1.344 0.020 2 1425 415 139 PRO C C 172.835 0.3 1 1426 415 139 PRO CA C 57.929 0.3 1 1427 415 139 PRO CB C 31.578 0.3 1 1428 415 139 PRO CD C 47.893 0.3 1 1429 415 139 PRO CG C 21.229 0.3 1 1430 416 140 LYS H H 7.631 0.020 1 1431 416 140 LYS HA H 4.397 0.020 1 1432 416 140 LYS HB2 H 1.540 0.020 2 1433 416 140 LYS HB3 H 0.800 0.020 2 1434 416 140 LYS HD2 H 1.033 0.020 1 1435 416 140 LYS HE2 H 2.364 0.020 2 1436 416 140 LYS HE3 H 1.704 0.020 2 1437 416 140 LYS HG2 H 0.943 0.020 1 1438 416 140 LYS C C 172.400 0.3 1 1439 416 140 LYS CA C 51.542 0.3 1 1440 416 140 LYS CB C 34.389 0.3 1 1441 416 140 LYS CD C 25.639 0.3 1 1442 416 140 LYS CE C 38.796 0.3 1 1443 416 140 LYS CG C 22.477 0.3 1 1444 416 140 LYS N N 117.595 0.3 1 1445 417 141 LEU H H 8.541 0.020 1 1446 417 141 LEU HA H 4.782 0.020 1 1447 417 141 LEU HB2 H 1.642 0.020 2 1448 417 141 LEU HB3 H 1.553 0.020 2 1449 417 141 LEU HD1 H 1.703 0.020 1 1450 417 141 LEU HD2 H 0.819 0.020 1 1451 417 141 LEU HG H 1.714 0.020 1 1452 417 141 LEU C C 177.079 0.3 1 1453 417 141 LEU CA C 51.993 0.3 1 1454 417 141 LEU CB C 39.315 0.3 1 1455 417 141 LEU CD1 C 22.032 0.3 1 1456 417 141 LEU CD2 C 20.245 0.3 1 1457 417 141 LEU CG C 23.820 0.3 1 1458 417 141 LEU N N 119.163 0.3 1 1459 418 142 ILE H H 8.677 0.020 1 1460 418 142 ILE HA H 3.765 0.020 1 1461 418 142 ILE HB H 1.869 0.020 1 1462 418 142 ILE HD1 H 1.275 0.020 1 1463 418 142 ILE HG12 H 0.940 0.020 1 1464 418 142 ILE HG2 H 1.252 0.020 1 1465 418 142 ILE C C 175.959 0.3 1 1466 418 142 ILE CA C 64.214 0.3 1 1467 418 142 ILE CB C 36.270 0.3 1 1468 418 142 ILE CD1 C 12.451 0.3 1 1469 418 142 ILE CG1 C 27.495 0.3 1 1470 418 142 ILE CG2 C 13.380 0.3 1 1471 418 142 ILE N N 126.257 0.3 1 1472 419 143 THR H H 9.119 0.020 1 1473 419 143 THR HA H 4.135 0.020 1 1474 419 143 THR HB H 4.125 0.020 1 1475 419 143 THR HG2 H 1.308 0.020 1 1476 419 143 THR C C 173.742 0.3 1 1477 419 143 THR CA C 61.411 0.3 1 1478 419 143 THR CB C 65.649 0.3 1 1479 419 143 THR CG2 C 17.254 0.3 1 1480 419 143 THR N N 109.043 0.3 1 1481 420 144 LYS H H 6.356 0.020 1 1482 420 144 LYS HA H 4.181 0.020 1 1483 420 144 LYS HB2 H 1.657 0.020 1 1484 420 144 LYS HD2 H 1.596 0.020 1 1485 420 144 LYS HE2 H 2.859 0.020 1 1486 420 144 LYS HG2 H 1.431 0.020 2 1487 420 144 LYS HG3 H 1.319 0.020 2 1488 420 144 LYS C C 173.401 0.3 1 1489 420 144 LYS CA C 53.182 0.3 1 1490 420 144 LYS CB C 30.091 0.3 1 1491 420 144 LYS CD C 25.492 0.3 1 1492 420 144 LYS CE C 38.878 0.3 1 1493 420 144 LYS CG C 21.668 0.3 1 1494 420 144 LYS N N 115.478 0.3 1 1495 421 145 ASN H H 7.311 0.020 1 1496 421 145 ASN HA H 4.580 0.020 1 1497 421 145 ASN HB2 H 2.444 0.020 2 1498 421 145 ASN HB3 H 2.259 0.020 2 1499 421 145 ASN C C 170.363 0.3 1 1500 421 145 ASN CA C 51.715 0.3 1 1501 421 145 ASN CB C 40.881 0.3 1 1502 421 145 ASN N N 116.053 0.3 1 1503 422 146 PHE H H 8.228 0.020 1 1504 422 146 PHE HA H 4.400 0.020 1 1505 422 146 PHE HB2 H 2.302 0.020 1 1506 422 146 PHE HD1 H 6.554 0.020 1 1507 422 146 PHE C C 170.774 0.3 1 1508 422 146 PHE CA C 52.842 0.3 1 1509 422 146 PHE CB C 34.720 0.3 1 1510 422 146 PHE N N 121.426 0.3 1 1511 423 147 GLN H H 7.939 0.020 1 1512 423 147 GLN HA H 3.849 0.020 1 1513 423 147 GLN HB2 H 2.033 0.020 1 1514 423 147 GLN HG2 H 2.309 0.020 2 1515 423 147 GLN HG3 H 2.207 0.020 2 1516 423 147 GLN C C 174.269 0.3 1 1517 423 147 GLN CA C 55.275 0.3 1 1518 423 147 GLN CB C 25.048 0.3 1 1519 423 147 GLN CG C 30.613 0.3 1 1520 423 147 GLN N N 120.931 0.3 1 1521 424 148 GLY H H 8.762 0.020 1 1522 424 148 GLY HA2 H 3.963 0.020 2 1523 424 148 GLY HA3 H 3.354 0.020 2 1524 424 148 GLY C C 170.466 0.3 1 1525 424 148 GLY CA C 41.893 0.3 1 1526 424 148 GLY N N 113.996 0.3 1 1527 425 149 ILE H H 7.617 0.020 1 1528 425 149 ILE HA H 3.629 0.020 1 1529 425 149 ILE HB H 1.305 0.020 1 1530 425 149 ILE HD1 H -0.112 0.020 1 1531 425 149 ILE HG12 H 0.658 0.020 2 1532 425 149 ILE HG13 H -0.215 0.020 2 1533 425 149 ILE HG2 H -0.780 0.020 1 1534 425 149 ILE C C 172.472 0.3 1 1535 425 149 ILE CA C 53.438 0.3 1 1536 425 149 ILE CB C 32.277 0.3 1 1537 425 149 ILE CD1 C 5.951 0.3 1 1538 425 149 ILE CG1 C 22.371 0.3 1 1539 425 149 ILE CG2 C 12.559 0.3 1 1540 425 149 ILE N N 122.994 0.3 1 1541 426 150 GLY H H 8.810 0.020 1 1542 426 150 GLY HA2 H 3.843 0.020 2 1543 426 150 GLY HA3 H 2.914 0.020 2 1544 426 150 GLY CA C 39.790 0.3 1 1545 426 150 GLY N N 110.942 0.3 1 1546 427 151 PRO HA H 4.106 0.020 1 1547 427 151 PRO HB2 H 2.248 0.020 2 1548 427 151 PRO HB3 H 2.141 0.020 2 1549 427 151 PRO HD2 H 3.476 0.020 2 1550 427 151 PRO HD3 H 3.338 0.020 2 1551 427 151 PRO HG2 H 1.859 0.020 2 1552 427 151 PRO HG3 H 1.683 0.020 2 1553 427 151 PRO C C 170.204 0.3 1 1554 427 151 PRO CA C 61.665 0.3 1 1555 427 151 PRO CB C 31.552 0.3 1 1556 427 151 PRO CD C 47.301 0.3 1 1557 427 151 PRO CG C 21.314 0.3 1 1558 428 152 LYS H H 7.473 0.020 1 1559 428 152 LYS HA H 4.675 0.020 1 1560 428 152 LYS HB2 H 1.739 0.020 2 1561 428 152 LYS HB3 H 1.538 0.020 2 1562 428 152 LYS HD2 H 1.709 0.020 1 1563 428 152 LYS HE2 H 2.898 0.020 1 1564 428 152 LYS HG2 H 1.267 0.020 1 1565 428 152 LYS C C 172.936 0.3 1 1566 428 152 LYS CA C 51.588 0.3 1 1567 428 152 LYS CB C 31.355 0.3 1 1568 428 152 LYS CD C 25.530 0.3 1 1569 428 152 LYS CE C 39.274 0.3 1 1570 428 152 LYS CG C 21.619 0.3 1 1571 428 152 LYS N N 118.124 0.3 1 1572 429 153 ILE H H 10.175 0.020 1 1573 429 153 ILE HA H 4.250 0.020 1 1574 429 153 ILE HB H 1.726 0.020 1 1575 429 153 ILE HD1 H -0.094 0.020 1 1576 429 153 ILE HG12 H 1.043 0.020 2 1577 429 153 ILE HG13 H 0.712 0.020 2 1578 429 153 ILE HG2 H 0.548 0.020 1 1579 429 153 ILE C C 172.733 0.3 1 1580 429 153 ILE CA C 56.608 0.3 1 1581 429 153 ILE CB C 36.529 0.3 1 1582 429 153 ILE CD1 C 9.519 0.3 1 1583 429 153 ILE CG1 C 23.312 0.3 1 1584 429 153 ILE CG2 C 15.557 0.3 1 1585 429 153 ILE N N 127.039 0.3 1 1586 430 154 ASP H H 8.796 0.020 1 1587 430 154 ASP HA H 5.281 0.020 1 1588 430 154 ASP HB2 H 3.329 0.020 2 1589 430 154 ASP HB3 H 2.794 0.020 2 1590 430 154 ASP C C 173.698 0.3 1 1591 430 154 ASP CA C 52.456 0.3 1 1592 430 154 ASP CB C 38.193 0.3 1 1593 430 154 ASP N N 122.955 0.3 1 1594 431 155 ALA H H 7.860 0.020 1 1595 431 155 ALA HA H 5.737 0.020 1 1596 431 155 ALA HB H 1.373 0.020 1 1597 431 155 ALA C C 172.004 0.3 1 1598 431 155 ALA CA C 48.369 0.3 1 1599 431 155 ALA CB C 19.810 0.3 1 1600 431 155 ALA N N 119.355 0.3 1 1601 432 156 VAL H H 8.523 0.020 1 1602 432 156 VAL HA H 5.883 0.020 1 1603 432 156 VAL HB H 1.870 0.020 1 1604 432 156 VAL HG1 H -0.331 0.020 1 1605 432 156 VAL HG2 H 0.438 0.020 1 1606 432 156 VAL C C 168.804 0.3 1 1607 432 156 VAL CA C 56.579 0.3 1 1608 432 156 VAL CB C 29.217 0.3 1 1609 432 156 VAL CG1 C 17.595 0.3 1 1610 432 156 VAL CG2 C 14.956 0.3 1 1611 432 156 VAL N N 119.036 0.3 1 1612 433 157 PHE H H 7.953 0.020 1 1613 433 157 PHE HA H 5.226 0.020 1 1614 433 157 PHE HB2 H 3.469 0.020 2 1615 433 157 PHE HB3 H 2.910 0.020 2 1616 433 157 PHE HD1 H 7.044 0.020 1 1617 433 157 PHE HE1 H 6.702 0.020 1 1618 433 157 PHE C C 167.997 0.3 1 1619 433 157 PHE CA C 53.360 0.3 1 1620 433 157 PHE CB C 38.444 0.3 1 1621 433 157 PHE N N 119.376 0.3 1 1622 434 158 TYR H H 9.435 0.020 1 1623 434 158 TYR HA H 5.172 0.020 1 1624 434 158 TYR HB2 H 3.301 0.020 2 1625 434 158 TYR HB3 H 3.079 0.020 2 1626 434 158 TYR C C 171.937 0.3 1 1627 434 158 TYR CA C 53.081 0.3 1 1628 434 158 TYR CB C 39.126 0.3 1 1629 434 158 TYR N N 124.645 0.3 1 1630 435 159 SER H H 8.531 0.020 1 1631 435 159 SER HA H 4.400 0.020 1 1632 435 159 SER HB2 H 3.955 0.020 2 1633 435 159 SER HB3 H 3.630 0.020 2 1634 435 159 SER C C 170.578 0.3 1 1635 435 159 SER CA C 54.760 0.3 1 1636 435 159 SER CB C 62.911 0.3 1 1637 435 159 SER N N 118.779 0.3 1 1638 436 160 LYS H H 8.618 0.020 1 1639 436 160 LYS HA H 3.850 0.020 1 1640 436 160 LYS HB2 H 1.981 0.020 2 1641 436 160 LYS HB3 H 2.034 0.020 2 1642 436 160 LYS HD2 H 2.089 0.020 1 1643 436 160 LYS HE2 H 2.977 0.020 1 1644 436 160 LYS HG2 H 1.648 0.020 2 1645 436 160 LYS HG3 H 1.486 0.020 2 1646 436 160 LYS C C 173.353 0.3 1 1647 436 160 LYS CA C 54.661 0.3 1 1648 436 160 LYS CB C 27.207 0.3 1 1649 436 160 LYS CD C 24.712 0.3 1 1650 436 160 LYS CE C 39.290 0.3 1 1651 436 160 LYS CG C 22.301 0.3 1 1652 436 160 LYS N N 119.610 0.3 1 1653 437 161 ASN H H 7.981 0.020 1 1654 437 161 ASN HA H 4.510 0.020 1 1655 437 161 ASN HB2 H 2.859 0.020 1 1656 437 161 ASN HD21 H 7.554 0.020 1 1657 437 161 ASN HD22 H 7.008 0.020 1 1658 437 161 ASN C C 172.599 0.3 1 1659 437 161 ASN CA C 52.860 0.3 1 1660 437 161 ASN CB C 35.254 0.3 1 1661 437 161 ASN N N 111.685 0.3 1 1662 437 161 ASN ND2 N 113.695 0.3 1 1663 438 162 LYS H H 7.562 0.020 1 1664 438 162 LYS HA H 3.629 0.020 1 1665 438 162 LYS HB2 H 0.767 0.020 2 1666 438 162 LYS HB3 H 0.934 0.020 2 1667 438 162 LYS HD2 H 1.223 0.020 2 1668 438 162 LYS HD3 H 1.165 0.020 2 1669 438 162 LYS HE2 H 2.586 0.020 1 1670 438 162 LYS HG2 H 0.163 0.020 2 1671 438 162 LYS HG3 H 0.437 0.020 2 1672 438 162 LYS C C 169.736 0.3 1 1673 438 162 LYS CA C 54.000 0.3 1 1674 438 162 LYS CB C 31.228 0.3 1 1675 438 162 LYS CD C 26.319 0.3 1 1676 438 162 LYS CE C 38.811 0.3 1 1677 438 162 LYS CG C 20.116 0.3 1 1678 438 162 LYS N N 115.235 0.3 1 1679 439 163 TYR H H 7.267 0.020 1 1680 439 163 TYR HA H 5.499 0.020 1 1681 439 163 TYR HB2 H 2.420 0.020 2 1682 439 163 TYR HB3 H 2.145 0.020 2 1683 439 163 TYR HD1 H 6.646 0.020 1 1684 439 163 TYR HE1 H 6.493 0.020 1 1685 439 163 TYR C C 174.000 0.3 1 1686 439 163 TYR CA C 52.761 0.3 1 1687 439 163 TYR CB C 39.274 0.3 1 1688 439 163 TYR N N 114.409 0.3 1 1689 440 164 TYR H H 9.099 0.020 1 1690 440 164 TYR HA H 5.558 0.020 1 1691 440 164 TYR HB2 H 2.537 0.020 2 1692 440 164 TYR HB3 H 2.144 0.020 2 1693 440 164 TYR HD1 H 6.601 0.020 1 1694 440 164 TYR HE1 H 6.492 0.020 1 1695 440 164 TYR C C 172.065 0.3 1 1696 440 164 TYR CA C 50.940 0.3 1 1697 440 164 TYR CB C 38.168 0.3 1 1698 440 164 TYR N N 116.225 0.3 1 1699 441 165 TYR H H 8.454 0.020 1 1700 441 165 TYR HA H 4.801 0.020 1 1701 441 165 TYR HB2 H 2.765 0.020 1 1702 441 165 TYR HD1 H 7.093 0.020 1 1703 441 165 TYR HE1 H 5.776 0.020 1 1704 441 165 TYR C C 172.197 0.3 1 1705 441 165 TYR CA C 54.804 0.3 1 1706 441 165 TYR CB C 35.403 0.3 1 1707 441 165 TYR N N 120.765 0.3 1 1708 442 166 PHE H H 8.728 0.020 1 1709 442 166 PHE HA H 4.763 0.020 1 1710 442 166 PHE HB2 H 2.821 0.020 2 1711 442 166 PHE HB3 H 2.761 0.020 2 1712 442 166 PHE HD1 H 6.717 0.020 1 1713 442 166 PHE HE1 H 6.487 0.020 3 1714 442 166 PHE HE2 H 6.377 0.020 3 1715 442 166 PHE C C 172.864 0.3 1 1716 442 166 PHE CA C 54.396 0.3 1 1717 442 166 PHE CB C 40.021 0.3 1 1718 442 166 PHE N N 119.585 0.3 1 1719 443 167 PHE H H 9.200 0.020 1 1720 443 167 PHE HA H 4.950 0.020 1 1721 443 167 PHE HB2 H 3.797 0.020 2 1722 443 167 PHE HB3 H 2.970 0.020 2 1723 443 167 PHE HD1 H 7.315 0.020 1 1724 443 167 PHE HE1 H 5.886 0.020 1 1725 443 167 PHE C C 172.894 0.3 1 1726 443 167 PHE CA C 54.846 0.3 1 1727 443 167 PHE CB C 37.036 0.3 1 1728 443 167 PHE N N 119.919 0.3 1 1729 444 168 GLN H H 9.192 0.020 1 1730 444 168 GLN HA H 4.675 0.020 1 1731 444 168 GLN HB2 H 2.089 0.020 1 1732 444 168 GLN HE21 H 7.108 0.020 1 1733 444 168 GLN HE22 H 6.877 0.020 1 1734 444 168 GLN HG2 H 2.686 0.020 1 1735 444 168 GLN C C 172.286 0.3 1 1736 444 168 GLN CA C 51.770 0.3 1 1737 444 168 GLN CB C 27.371 0.3 1 1738 444 168 GLN CG C 31.759 0.3 1 1739 444 168 GLN N N 124.167 0.3 1 1740 444 168 GLN NE2 N 107.250 0.3 1 1741 445 169 GLY H H 9.345 0.020 1 1742 445 169 GLY HA2 H 4.070 0.020 2 1743 445 169 GLY HA3 H 3.629 0.020 2 1744 445 169 GLY C C 172.068 0.3 1 1745 445 169 GLY CA C 43.624 0.3 1 1746 445 169 GLY N N 117.959 0.3 1 1747 446 170 SER H H 8.785 0.020 1 1748 446 170 SER HA H 4.632 0.020 1 1749 446 170 SER HB2 H 4.233 0.020 2 1750 446 170 SER HB3 H 3.464 0.020 2 1751 446 170 SER C C 171.600 0.3 1 1752 446 170 SER CA C 55.276 0.3 1 1753 446 170 SER CB C 60.517 0.3 1 1754 446 170 SER N N 121.092 0.3 1 1755 447 171 ASN H H 8.042 0.020 1 1756 447 171 ASN HA H 4.840 0.020 1 1757 447 171 ASN HB2 H 2.812 0.020 2 1758 447 171 ASN HB3 H 2.034 0.020 2 1759 447 171 ASN HD21 H 7.727 0.020 1 1760 447 171 ASN HD22 H 6.975 0.020 1 1761 447 171 ASN C C 168.601 0.3 1 1762 447 171 ASN CA C 49.702 0.3 1 1763 447 171 ASN CB C 38.337 0.3 1 1764 447 171 ASN N N 120.848 0.3 1 1765 447 171 ASN ND2 N 114.751 0.3 1 1766 448 172 GLN H H 7.970 0.020 1 1767 448 172 GLN HA H 4.960 0.020 1 1768 448 172 GLN HB2 H 1.043 0.020 1 1769 448 172 GLN HG2 H 1.375 0.020 2 1770 448 172 GLN HG3 H 0.823 0.020 2 1771 448 172 GLN C C 169.733 0.3 1 1772 448 172 GLN CA C 48.905 0.3 1 1773 448 172 GLN CB C 28.443 0.3 1 1774 448 172 GLN CG C 30.602 0.3 1 1775 448 172 GLN N N 121.404 0.3 1 1776 449 173 PHE H H 9.243 0.020 1 1777 449 173 PHE HA H 5.115 0.020 1 1778 449 173 PHE HB2 H 2.586 0.020 1 1779 449 173 PHE HD1 H 7.010 0.020 3 1780 449 173 PHE HD2 H 6.987 0.020 3 1781 449 173 PHE HE1 H 7.042 0.020 1 1782 449 173 PHE C C 171.917 0.3 1 1783 449 173 PHE CA C 52.755 0.3 1 1784 449 173 PHE CB C 38.850 0.3 1 1785 449 173 PHE N N 124.893 0.3 1 1786 450 174 GLU H H 8.708 0.020 1 1787 450 174 GLU HA H 3.964 0.020 1 1788 450 174 GLU HB2 H 2.037 0.020 2 1789 450 174 GLU HB3 H 1.361 0.020 2 1790 450 174 GLU HG2 H 1.426 0.020 2 1791 450 174 GLU HG3 H 0.753 0.020 2 1792 450 174 GLU C C 170.858 0.3 1 1793 450 174 GLU CA C 52.777 0.3 1 1794 450 174 GLU CB C 29.640 0.3 1 1795 450 174 GLU CG C 34.403 0.3 1 1796 450 174 GLU N N 125.966 0.3 1 1797 451 175 TYR H H 9.579 0.020 1 1798 451 175 TYR HA H 4.952 0.020 1 1799 451 175 TYR HB2 H 3.522 0.020 2 1800 451 175 TYR HB3 H 2.562 0.020 2 1801 451 175 TYR HE1 H 6.980 0.020 1 1802 451 175 TYR C C 171.018 0.3 1 1803 451 175 TYR CA C 54.202 0.3 1 1804 451 175 TYR CB C 39.599 0.3 1 1805 451 175 TYR N N 130.589 0.3 1 1806 452 176 ASP H H 8.166 0.020 1 1807 452 176 ASP HA H 4.726 0.020 1 1808 452 176 ASP HB2 H 2.585 0.020 2 1809 452 176 ASP HB3 H 2.410 0.020 2 1810 452 176 ASP C C 170.863 0.3 1 1811 452 176 ASP CA C 49.638 0.3 1 1812 452 176 ASP CB C 39.474 0.3 1 1813 452 176 ASP N N 128.773 0.3 1 1814 453 177 PHE H H 7.504 0.020 1 1815 453 177 PHE HA H 4.513 0.020 1 1816 453 177 PHE HB2 H 3.579 0.020 2 1817 453 177 PHE HB3 H 2.428 0.020 2 1818 453 177 PHE HD1 H 6.491 0.020 1 1819 453 177 PHE HE1 H 6.601 0.020 1 1820 453 177 PHE C C 173.069 0.3 1 1821 453 177 PHE CA C 55.104 0.3 1 1822 453 177 PHE CB C 34.964 0.3 1 1823 453 177 PHE N N 122.185 0.3 1 1824 454 178 LEU H H 8.413 0.020 1 1825 454 178 LEU HA H 4.345 0.020 1 1826 454 178 LEU HB2 H 1.750 0.020 2 1827 454 178 LEU HB3 H 1.263 0.020 2 1828 454 178 LEU HD1 H 0.712 0.020 1 1829 454 178 LEU HD2 H 0.823 0.020 1 1830 454 178 LEU HG H 1.212 0.020 1 1831 454 178 LEU C C 176.469 0.3 1 1832 454 178 LEU CA C 53.788 0.3 1 1833 454 178 LEU CB C 37.604 0.3 1 1834 454 178 LEU CD1 C 21.912 0.3 1 1835 454 178 LEU CD2 C 19.519 0.3 1 1836 454 178 LEU CG C 23.258 0.3 1 1837 454 178 LEU N N 125.289 0.3 1 1838 455 179 LEU H H 8.200 0.020 1 1839 455 179 LEU HA H 3.905 0.020 1 1840 455 179 LEU HB2 H 1.104 0.020 1 1841 455 179 LEU HD1 H 0.605 0.020 1 1842 455 179 LEU HD2 H 0.568 0.020 1 1843 455 179 LEU HG H 1.428 0.020 1 1844 455 179 LEU C C 174.459 0.3 1 1845 455 179 LEU CA C 52.045 0.3 1 1846 455 179 LEU CB C 39.393 0.3 1 1847 455 179 LEU CD1 C 21.764 0.3 1 1848 455 179 LEU CD2 C 18.839 0.3 1 1849 455 179 LEU CG C 23.064 0.3 1 1850 455 179 LEU N N 120.063 0.3 1 1851 456 180 GLN H H 8.022 0.020 1 1852 456 180 GLN HA H 3.457 0.020 1 1853 456 180 GLN HB2 H 2.250 0.020 2 1854 456 180 GLN HB3 H 1.971 0.020 2 1855 456 180 GLN HE21 H 7.529 0.020 1 1856 456 180 GLN HE22 H 6.774 0.020 1 1857 456 180 GLN HG2 H 2.061 0.020 1 1858 456 180 GLN C C 175.599 0.3 1 1859 456 180 GLN CA C 53.647 0.3 1 1860 456 180 GLN CB C 22.336 0.3 1 1861 456 180 GLN CG C 30.908 0.3 1 1862 456 180 GLN N N 114.161 0.3 1 1863 456 180 GLN NE2 N 112.457 0.3 1 1864 457 181 ARG H H 6.795 0.020 1 1865 457 181 ARG HA H 4.523 0.020 1 1866 457 181 ARG HB2 H 1.590 0.020 2 1867 457 181 ARG HB3 H 1.386 0.020 2 1868 457 181 ARG HD2 H 2.969 0.020 2 1869 457 181 ARG HD3 H 2.915 0.020 2 1870 457 181 ARG HG2 H 1.150 0.020 1 1871 457 181 ARG C C 171.368 0.3 1 1872 457 181 ARG CA C 51.189 0.3 1 1873 457 181 ARG CB C 30.821 0.3 1 1874 457 181 ARG CD C 40.411 0.3 1 1875 457 181 ARG CG C 22.530 0.3 1 1876 457 181 ARG N N 112.895 0.3 1 1877 458 182 ILE H H 8.735 0.020 1 1878 458 182 ILE HA H 4.577 0.020 1 1879 458 182 ILE HB H 1.602 0.020 1 1880 458 182 ILE HD1 H 0.488 0.020 1 1881 458 182 ILE HG12 H 0.770 0.020 2 1882 458 182 ILE HG13 H 2.029 0.020 2 1883 458 182 ILE HG2 H 0.934 0.020 1 1884 458 182 ILE C C 174.826 0.3 1 1885 458 182 ILE CA C 58.964 0.3 1 1886 458 182 ILE CB C 36.225 0.3 1 1887 458 182 ILE CD1 C 11.262 0.3 1 1888 458 182 ILE CG1 C 26.837 0.3 1 1889 458 182 ILE CG2 C 14.312 0.3 1 1890 458 182 ILE N N 122.334 0.3 1 1891 459 183 THR H H 9.296 0.020 1 1892 459 183 THR HA H 4.234 0.020 1 1893 459 183 THR HB H 4.181 0.020 1 1894 459 183 THR HG2 H 1.097 0.020 1 1895 459 183 THR C C 173.473 0.3 1 1896 459 183 THR CA C 59.379 0.3 1 1897 459 183 THR CB C 65.042 0.3 1 1898 459 183 THR CG2 C 21.109 0.3 1 1899 459 183 THR N N 120.632 0.3 1 1900 460 184 LYS H H 7.562 0.020 1 1901 460 184 LYS HA H 4.396 0.020 1 1902 460 184 LYS HB2 H 1.587 0.020 2 1903 460 184 LYS HB3 H 1.482 0.020 2 1904 460 184 LYS HD2 H 1.432 0.020 2 1905 460 184 LYS HD3 H 1.383 0.020 2 1906 460 184 LYS HE2 H 2.785 0.020 1 1907 460 184 LYS HG2 H 1.231 0.020 1 1908 460 184 LYS C C 171.320 0.3 1 1909 460 184 LYS CA C 54.114 0.3 1 1910 460 184 LYS CB C 33.956 0.3 1 1911 460 184 LYS CD C 26.034 0.3 1 1912 460 184 LYS CE C 38.590 0.3 1 1913 460 184 LYS CG C 21.960 0.3 1 1914 460 184 LYS N N 121.591 0.3 1 1915 461 185 THR H H 8.330 0.020 1 1916 461 185 THR HA H 4.667 0.020 1 1917 461 185 THR HB H 3.959 0.020 1 1918 461 185 THR HG2 H 1.043 0.020 1 1919 461 185 THR C C 170.402 0.3 1 1920 461 185 THR CA C 59.197 0.3 1 1921 461 185 THR CB C 66.506 0.3 1 1922 461 185 THR CG2 C 17.954 0.3 1 1923 461 185 THR N N 118.784 0.3 1 1924 462 186 LEU H H 9.009 0.020 1 1925 462 186 LEU HA H 4.622 0.020 1 1926 462 186 LEU HB2 H 1.538 0.020 2 1927 462 186 LEU HB3 H 1.167 0.020 2 1928 462 186 LEU HD1 H 0.440 0.020 1 1929 462 186 LEU HD2 H 0.554 0.020 1 1930 462 186 LEU HG H 1.097 0.020 1 1931 462 186 LEU C C 173.829 0.3 1 1932 462 186 LEU CA C 50.333 0.3 1 1933 462 186 LEU CB C 43.378 0.3 1 1934 462 186 LEU CD1 C 22.409 0.3 1 1935 462 186 LEU CD2 C 20.564 0.3 1 1936 462 186 LEU CG C 23.881 0.3 1 1937 462 186 LEU N N 127.287 0.3 1 1938 463 187 LYS H H 8.255 0.020 1 1939 463 187 LYS HA H 4.950 0.020 1 1940 463 187 LYS HB2 H 1.868 0.020 2 1941 463 187 LYS HB3 H 1.594 0.020 2 1942 463 187 LYS HD2 H 1.649 0.020 1 1943 463 187 LYS HE2 H 2.750 0.020 1 1944 463 187 LYS HG2 H 1.433 0.020 1 1945 463 187 LYS C C 177.864 0.3 1 1946 463 187 LYS CA C 51.442 0.3 1 1947 463 187 LYS CB C 29.177 0.3 1 1948 463 187 LYS CD C 24.391 0.3 1 1949 463 187 LYS CE C 38.810 0.3 1 1950 463 187 LYS CG C 21.221 0.3 1 1951 463 187 LYS N N 119.692 0.3 1 1952 464 188 SER H H 8.479 0.020 1 1953 464 188 SER HA H 4.177 0.020 1 1954 464 188 SER HB2 H 4.179 0.020 2 1955 464 188 SER HB3 H 3.930 0.020 2 1956 464 188 SER C C 170.554 0.3 1 1957 464 188 SER CA C 58.246 0.3 1 1958 464 188 SER CB C 58.952 0.3 1 1959 464 188 SER N N 118.763 0.3 1 1960 465 189 ASN H H 7.020 0.020 1 1961 465 189 ASN HA H 4.088 0.020 1 1962 465 189 ASN HB2 H 3.547 0.020 2 1963 465 189 ASN HB3 H 2.442 0.020 2 1964 465 189 ASN HD21 H 7.822 0.020 1 1965 465 189 ASN HD22 H 6.908 0.020 1 1966 465 189 ASN C C 175.531 0.3 1 1967 465 189 ASN CA C 48.964 0.3 1 1968 465 189 ASN CB C 35.621 0.3 1 1969 465 189 ASN N N 114.347 0.3 1 1970 465 189 ASN ND2 N 115.071 0.3 1 1971 466 190 SER H H 7.213 0.020 1 1972 466 190 SER HA H 4.678 0.020 1 1973 466 190 SER HB2 H 3.704 0.020 2 1974 466 190 SER HB3 H 3.454 0.020 2 1975 466 190 SER C C 174.126 0.3 1 1976 466 190 SER CA C 59.747 0.3 1 1977 466 190 SER CB C 59.026 0.3 1 1978 466 190 SER N N 114.409 0.3 1 1979 467 191 TRP H H 7.488 0.020 1 1980 467 191 TRP HA H 4.066 0.020 1 1981 467 191 TRP HB2 H 3.024 0.020 2 1982 467 191 TRP HB3 H 2.309 0.020 2 1983 467 191 TRP HE1 H 9.732 0.020 1 1984 467 191 TRP C C 173.540 0.3 1 1985 467 191 TRP CA C 55.102 0.3 1 1986 467 191 TRP CB C 24.665 0.3 1 1987 467 191 TRP N N 122.011 0.3 1 1988 467 191 TRP NE1 N 127.696 0.3 1 1989 468 192 PHE H H 7.137 0.020 1 1990 468 192 PHE HA H 4.786 0.020 1 1991 468 192 PHE HB2 H 3.244 0.020 2 1992 468 192 PHE HB3 H 2.979 0.020 2 1993 468 192 PHE HD1 H 6.326 0.020 1 1994 468 192 PHE HE1 H 6.162 0.020 1 1995 468 192 PHE C C 173.880 0.3 1 1996 468 192 PHE CA C 51.049 0.3 1 1997 468 192 PHE CB C 34.582 0.3 1 1998 468 192 PHE N N 116.308 0.3 1 1999 469 193 GLY H H 7.768 0.020 1 2000 469 193 GLY HA2 H 3.928 0.020 2 2001 469 193 GLY HA3 H 3.634 0.020 2 2002 469 193 GLY C C 171.172 0.3 1 2003 469 193 GLY CA C 42.958 0.3 1 2004 469 193 GLY N N 108.053 0.3 1 2005 470 194 CYS H H 6.938 0.020 1 2006 470 194 CYS HA H 4.182 0.020 1 2007 470 194 CYS HB2 H 2.860 0.020 2 2008 470 194 CYS HB3 H 2.203 0.020 2 2009 470 194 CYS CA C 52.821 0.3 1 2010 470 194 CYS CB C 36.781 0.3 1 2011 470 194 CYS N N 123.077 0.3 1 stop_ save_ save_heteronuclear_R1_HPX _Saveframe_category T1_relaxation _Details ; column 1 number column 2 residue column 3 R1 (s-1) column 4 error (s-1) ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name 'Hemopexin-like Domain' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 ALA N 0.806 0.040 2 5 LEU N 0.748 0.037 3 6 CYS N 1.162 0.058 4 7 ASP N 0.648 0.032 5 9 ASN N 0.623 0.031 6 11 SER N 0.745 0.037 7 12 PHE N 0.749 0.037 8 13 ASP N 0.636 0.032 9 14 ALA N 0.641 0.032 10 16 THR N 0.634 0.032 11 17 THR N 0.647 0.032 12 18 VAL N 0.670 0.034 13 19 GLY N 1.657 0.083 14 21 LYS N 0.734 0.037 15 22 ILE N 0.784 0.039 16 23 PHE N 0.783 0.039 17 24 PHE N 0.843 0.042 18 25 PHE N 0.744 0.037 19 26 LYS N 0.830 0.042 20 27 ASP N 0.722 0.036 21 28 ARG N 0.685 0.034 22 29 PHE N 0.603 0.030 23 30 PHE N 0.578 0.029 24 31 TRP N 0.148 0.007 25 32 LEU N 0.630 0.032 26 33 LYS N 0.611 0.031 27 34 VAL N 0.614 0.031 28 35 SER N 0.696 0.035 29 36 GLU N 0.627 0.031 30 37 ARG N 0.569 0.028 31 39 LYS N 0.705 0.035 32 40 THR N 0.685 0.034 33 43 ASN N 0.460 0.023 34 44 LEU N 0.681 0.034 35 45 ILE N 0.726 0.036 36 46 SER N 0.716 0.036 37 47 SER N 0.548 0.027 38 48 LEU N 1.141 0.057 39 49 TRP N 0.944 0.047 40 51 THR N 1.356 0.068 41 52 LEU N 0.531 0.027 42 54 SER N 0.623 0.031 43 55 GLY N 0.644 0.032 44 56 ILE N 0.682 0.034 45 57 GLU N 0.622 0.031 46 58 ALA N 0.877 0.044 47 59 ALA N 0.488 0.024 48 60 TYR N 0.729 0.036 49 61 GLU N 0.644 0.032 50 62 ILE N 0.856 0.043 51 63 GLU N 1.018 0.051 52 64 ALA N 0.759 0.038 53 65 ARG N 1.358 0.068 54 66 ASN N 0.587 0.029 55 67 GLN N 0.414 0.021 56 68 VAL N 1.133 0.057 57 73 ASP N 0.710 0.035 58 74 ASP N 0.693 0.035 59 75 LYS N 0.757 0.038 60 76 TYR N 0.759 0.038 61 79 ILE N 0.856 0.043 62 80 SER N 0.568 0.028 63 81 ASN N 0.639 0.032 64 82 LEU N 0.708 0.035 65 83 ARG N 0.768 0.038 66 85 GLU N 0.807 0.040 67 87 ASN N 0.681 0.034 68 88 TYR N 0.686 0.034 69 90 LYS N 0.917 0.046 70 91 SER N 1.145 0.057 71 93 HIS N 0.937 0.047 72 94 SER N 0.764 0.038 73 95 PHE N 1.000 0.050 74 96 GLY N 0.794 0.040 75 97 PHE N 0.826 0.041 76 100 PHE N 0.722 0.036 77 101 VAL N 0.695 0.035 78 102 LYS N 0.611 0.031 79 103 LYS N 1.469 0.073 80 104 ILE N 0.743 0.037 81 105 ASP N 0.791 0.040 82 106 ALA N 0.868 0.043 83 107 ALA N 0.882 0.044 84 108 VAL N 0.856 0.043 85 109 PHE N 0.733 0.037 86 110 ASN N 0.763 0.038 87 112 ARG N 1.335 0.067 88 113 PHE N 1.105 0.055 89 114 TYR N 0.766 0.038 90 115 ARG N 0.747 0.037 91 116 THR N 0.711 0.036 92 117 TYR N 1.138 0.057 93 118 PHE N 1.170 0.058 94 119 PHE N 0.696 0.035 95 120 VAL N 0.759 0.038 96 121 ASP N 1.499 0.075 97 122 ASN N 0.659 0.033 98 123 GLN N 0.751 0.038 99 124 TYR N 0.700 0.035 100 125 TRP N 0.595 0.030 101 126 ARG N 0.643 0.032 102 127 TYR N 0.824 0.041 103 128 ASP N 0.639 0.032 104 129 GLU N 0.599 0.030 105 130 ARG N 0.725 0.036 106 131 ARG N 0.647 0.032 107 132 GLN N 0.926 0.046 108 134 MET N 0.131 0.007 109 135 ASP N 0.750 0.038 110 137 GLY N 0.639 0.032 111 138 TYR N 0.797 0.040 112 141 LEU N 0.581 0.029 113 142 ILE N 0.827 0.041 114 143 THR N 0.770 0.039 115 144 LYS N 0.748 0.037 116 145 ASN N 1.149 0.057 117 147 GLN N 0.921 0.046 118 148 GLY N 0.724 0.036 119 149 ILE N 0.817 0.041 120 150 GLY N 0.375 0.019 121 152 LYS N 0.845 0.042 122 153 ILE N 0.724 0.036 123 154 ASP N 0.663 0.033 124 155 ALA N 0.895 0.045 125 156 VAL N 0.637 0.032 126 157 PHE N 0.810 0.041 127 158 TYR N 0.597 0.030 128 159 SER N 0.701 0.035 129 160 LYS N 0.723 0.036 130 161 ASN N 0.485 0.024 131 162 LYS N 0.675 0.034 132 164 TYR N 0.671 0.034 133 165 TYR N 0.778 0.039 134 166 PHE N 0.709 0.035 135 167 PHE N 0.625 0.031 136 168 GLN N 0.611 0.031 137 169 GLY N 0.650 0.033 138 170 SER N 1.555 0.078 139 171 ASN N 0.884 0.044 140 172 GLN N 0.789 0.039 141 173 PHE N 0.683 0.034 142 174 GLU N 0.619 0.031 143 175 TYR N 0.664 0.033 144 176 ASP N 0.262 0.013 145 177 PHE N 0.676 0.034 146 180 GLN N 0.581 0.029 147 181 ARG N 0.823 0.041 148 182 ILE N 0.623 0.031 149 183 THR N 0.350 0.017 150 184 LYS N 0.515 0.026 151 185 THR N 0.663 0.033 152 186 LEU N 0.571 0.029 153 187 LYS N 0.519 0.026 154 188 SER N 0.850 0.043 155 189 ASN N 0.559 0.028 156 190 SER N 0.769 0.038 157 191 TRP N 0.540 0.027 158 192 PHE N 0.525 0.026 159 193 GLY N 0.623 0.031 160 194 CYS N 0.515 0.026 stop_ save_ save_heteronuclear_R2_HPX _Saveframe_category T2_relaxation _Details ; column 1 number column 2 residue column 3 R2 (s-1) column 4 error (s-1) ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T2_coherence_type NzHz _T2_value_units s-1 _Mol_system_component_name 'Hemopexin-like Domain' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 ALA N 13.20 0.66 . . 2 5 LEU N 17.55 0.88 . . 3 6 CYS N 20.79 1.04 . . 4 7 ASP N 16.62 0.83 . . 5 9 ASN N 19.71 0.99 . . 6 11 SER N 20.83 1.04 . . 7 12 PHE N 20.39 1.02 . . 8 13 ASP N 18.84 0.94 . . 9 14 ALA N 21.72 1.09 . . 10 16 THR N 23.08 1.15 . . 11 18 VAL N 25.30 1.27 . . 12 19 GLY N 21.88 1.09 . . 13 21 LYS N 20.19 1.01 . . 14 22 ILE N 20.83 1.04 . . 15 23 PHE N 19.62 0.98 . . 16 24 PHE N 20.82 1.04 . . 17 25 PHE N 20.03 1.00 . . 18 26 LYS N 18.94 0.95 . . 19 27 ASP N 18.36 0.92 . . 20 28 ARG N 19.23 0.96 . . 21 29 PHE N 21.40 1.07 . . 22 30 PHE N 19.83 0.99 . . 23 31 TRP N 20.46 1.02 . . 24 32 LEU N 19.85 0.99 . . 25 33 LYS N 21.32 1.07 . . 26 34 VAL N 18.90 0.94 . . 27 35 SER N 20.14 1.01 . . 28 36 GLU N 14.86 0.74 . . 29 37 ARG N 19.77 0.99 . . 30 39 LYS N 10.81 0.54 . . 31 40 THR N 13.93 0.70 . . 32 43 ASN N 18.77 0.94 . . 33 44 LEU N 18.57 0.93 . . 34 45 ILE N 18.72 0.94 . . 35 46 SER N 19.44 0.97 . . 36 47 SER N 21.69 1.08 . . 37 48 LEU N 16.99 0.85 . . 38 49 TRP N 18.35 0.92 . . 39 51 THR N 19.83 0.99 . . 40 52 LEU N 20.91 1.05 . . 41 54 SER N 16.34 0.82 . . 42 56 ILE N 19.01 0.95 . . 43 58 ALA N 21.29 1.06 . . 44 59 ALA N 19.03 0.95 . . 45 60 TYR N 27.07 1.35 . . 46 61 GLU N 28.12 1.41 . . 47 63 GLU N 19.15 0.96 . . 48 64 ALA N 23.09 1.15 . . 49 65 ARG N 19.05 0.95 . . 50 66 ASN N 22.30 1.11 . . 51 67 GLN N 18.91 0.95 . . 52 68 VAL N 19.12 0.96 . . 53 69 PHE N 19.85 0.99 . . 54 70 LEU N 22.72 1.14 . . 55 74 ASP N 22.87 1.14 . . 56 75 LYS N 19.79 0.99 . . 57 76 TYR N 20.14 1.01 . . 58 79 ILE N 19.20 0.96 . . 59 80 SER N 19.83 0.99 . . 60 81 ASN N 16.97 0.85 . . 61 82 LEU N 22.81 1.14 . . 62 83 ARG N 19.68 0.98 . . 63 85 GLU N 19.45 0.97 . . 64 87 ASN N 31.64 1.58 . . 65 88 TYR N 19.98 1.00 . . 66 91 SER N 19.23 0.96 . . 67 93 HIS N 21.87 1.09 . . 68 94 SER N 25.85 1.29 . . 69 95 PHE N 20.26 1.01 . . 70 96 GLY N 18.70 0.94 . . 71 97 PHE N 19.27 0.96 . . 72 100 PHE N 19.96 1.00 . . 73 101 VAL N 20.67 1.03 . . 74 103 LYS N 20.06 1.00 . . 75 104 ILE N 22.27 1.11 . . 76 105 ASP N 22.89 1.14 . . 77 106 ALA N 21.28 1.06 . . 78 107 ALA N 20.67 1.03 . . 79 108 VAL N 20.02 1.00 . . 80 109 PHE N 23.31 1.17 . . 81 110 ASN N 31.09 1.55 . . 82 114 TYR N 21.65 1.08 . . 83 116 THR N 21.60 1.08 . . 84 117 TYR N 20.41 1.02 . . 85 118 PHE N 21.06 1.05 . . 86 119 PHE N 19.90 0.99 . . 87 120 VAL N 19.05 0.95 . . 88 121 ASP N 20.64 1.03 . . 89 122 ASN N 19.88 0.99 . . 90 123 GLN N 26.59 1.33 . . 91 124 TYR N 21.22 1.06 . . 92 126 ARG N 19.53 0.98 . . 93 127 TYR N 20.32 1.02 . . 94 128 ASP N 20.88 1.04 . . 95 129 GLU N 19.05 0.95 . . 96 130 ARG N 19.88 0.99 . . 97 131 ARG N 18.25 0.91 . . 98 132 GLN N 20.81 1.04 . . 99 134 MET N 19.91 1.00 . . 100 135 ASP N 20.88 1.04 . . 101 137 GLY N 21.24 1.06 . . 102 138 TYR N 19.15 0.96 . . 103 141 LEU N 21.27 1.06 . . 104 142 ILE N 16.29 0.81 . . 105 143 THR N 20.52 1.03 . . 106 144 LYS N 18.98 0.95 . . 107 145 ASN N 18.55 0.93 . . 108 146 PHE N 18.80 0.94 . . 109 147 GLN N 17.20 0.86 . . 110 148 GLY N 18.53 0.93 . . 111 149 ILE N 21.62 1.08 . . 112 150 GLY N 18.92 0.95 . . 113 152 LYS N 17.93 0.90 . . 114 153 ILE N 19.60 0.98 . . 115 154 ASP N 22.72 1.14 . . 116 155 ALA N 20.21 1.01 . . 117 156 VAL N 24.03 1.20 . . 118 157 PHE N 20.98 1.05 . . 119 158 TYR N 19.13 0.96 . . 120 159 SER N 20.39 1.02 . . 121 160 LYS N 25.94 1.30 . . 122 161 ASN N 30.44 1.52 . . 123 162 LYS N 18.85 0.94 . . 124 163 TYR N 21.47 1.07 . . 125 164 TYR N 20.13 1.01 . . 126 165 TYR N 19.24 0.96 . . 127 166 PHE N 19.09 0.95 . . 128 167 PHE N 19.24 0.96 . . 129 168 GLN N 18.54 0.93 . . 130 169 GLY N 19.41 0.97 . . 131 170 SER N 25.21 1.26 . . 132 171 ASN N 21.70 1.08 . . 133 172 GLN N 19.44 0.97 . . 134 173 PHE N 19.63 0.98 . . 135 174 GLU N 17.97 0.90 . . 136 175 TYR N 19.83 0.99 . . 137 176 ASP N 19.54 0.98 . . 138 177 PHE N 20.78 1.04 . . 139 179 LEU N 19.33 0.97 . . 140 180 GLN N 19.55 0.98 . . 141 181 ARG N 16.39 0.82 . . 142 182 ILE N 19.94 1.00 . . 143 183 THR N 22.64 1.13 . . 144 184 LYS N 19.17 0.96 . . 145 185 THR N 18.61 0.93 . . 146 186 LEU N 20.74 1.04 . . 147 187 LYS N 19.32 0.97 . . 148 189 ASN N 19.60 0.98 . . 149 191 TRP N 21.41 1.07 . . 150 192 PHE N 20.44 1.02 . . 151 193 GLY N 19.96 1.00 . . 152 194 CYS N 13.78 0.69 . . stop_ save_ save_heteronuclear_noe_HPX _Saveframe_category heteronuclear_NOE _Details ; column 1 number column 2 residue column 3 noe/noe ref column 4 error ; loop_ _Experiment_label '2D 1H-15N HSQC NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Mol_system_component_name 'Hemopexin-like Domain' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 0 _NOE_reference_description 'NOE ref is obtained after splitting of the spectra generating both NOE ref and NOE.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ALA 0.490 0.025 6 CYS 0.800 0.040 7 ASP 0.580 0.029 9 ASN 0.940 0.047 11 SER 0.800 0.040 12 PHE 0.910 0.046 14 ALA 0.980 0.049 17 THR 0.750 0.038 18 VAL 0.870 0.044 19 GLY 0.760 0.038 21 LYS 0.790 0.040 22 ILE 0.940 0.047 23 PHE 0.850 0.043 24 PHE 0.920 0.046 25 PHE 0.910 0.046 28 ARG 0.680 0.034 29 PHE 0.980 0.049 30 PHE 0.960 0.048 31 TRP 0.910 0.046 32 LEU 0.880 0.044 33 LYS 0.790 0.040 34 VAL 0.850 0.043 36 GLU 0.880 0.044 37 ARG 0.800 0.040 39 LYS 0.480 0.024 40 THR 0.760 0.038 43 ASN 0.900 0.045 44 LEU 0.940 0.047 45 ILE 0.850 0.043 46 SER 0.880 0.044 47 SER 0.760 0.038 48 LEU 0.760 0.038 49 TRP 0.890 0.045 51 THR 0.870 0.044 52 LEU 0.830 0.042 54 SER 0.820 0.041 56 ILE 0.800 0.040 58 ALA 0.920 0.046 59 ALA 0.870 0.044 60 TYR 0.990 0.050 61 GLU 0.780 0.039 63 GLU 0.910 0.046 64 ALA 0.900 0.045 65 ARG 0.900 0.045 67 GLN 0.720 0.036 69 PHE 0.970 0.049 70 LEU 0.970 0.049 73 ASP 0.840 0.042 75 LYS 0.890 0.045 77 TRP 0.840 0.042 79 ILE 0.910 0.046 80 SER 0.850 0.043 82 LEU 0.850 0.043 83 ARG 0.820 0.041 85 GLU 0.770 0.039 87 ASN 0.880 0.044 88 TYR 0.680 0.034 91 SER 0.720 0.036 93 HIS 0.910 0.046 94 SER 0.920 0.046 95 PHE 0.950 0.048 96 GLY 0.960 0.048 97 PHE 0.810 0.041 100 PHE 0.930 0.047 101 VAL 0.840 0.042 103 LYS 0.950 0.048 104 ILE 0.890 0.045 105 ASP 0.850 0.043 106 ALA 0.950 0.048 108 VAL 0.890 0.045 109 PHE 0.960 0.048 114 TYR 0.940 0.047 116 THR 0.990 0.050 119 PHE 0.960 0.048 120 VAL 0.850 0.043 121 ASP 0.860 0.043 122 ASN 0.850 0.043 124 TYR 0.890 0.045 127 TYR 0.880 0.044 128 ASP 0.970 0.049 129 GLU 0.930 0.047 130 ARG 0.910 0.046 131 ARG 0.910 0.046 132 GLN 0.900 0.045 134 MET 0.790 0.040 135 ASP 0.790 0.040 137 GLY 0.720 0.036 143 THR 0.920 0.046 144 LYS 0.910 0.046 145 ASN 0.750 0.038 146 PHE 0.850 0.043 147 GLN 0.730 0.036 149 ILE 0.680 0.034 150 GLY 0.850 0.043 152 LYS 0.750 0.038 153 ILE 0.810 0.041 154 ASP 0.950 0.048 155 ALA 0.900 0.045 157 PHE 0.870 0.044 160 LYS 0.790 0.040 161 ASN 0.820 0.041 162 LYS 0.630 0.032 163 TYR 0.890 0.045 164 TYR 0.870 0.044 165 TYR 0.940 0.047 166 PHE 0.910 0.046 167 PHE 0.780 0.039 168 GLN 0.940 0.047 169 GLY 0.960 0.048 171 ASN 0.830 0.042 172 GLN 0.880 0.044 173 PHE 0.870 0.044 175 TYR 0.910 0.046 180 GLN 0.930 0.047 181 ARG 0.740 0.037 182 ILE 0.980 0.049 183 THR 0.920 0.046 184 LYS 0.850 0.043 185 THR 0.750 0.038 187 LYS 0.950 0.048 189 ASN 0.820 0.041 191 TRP 0.920 0.046 192 PHE 0.950 0.048 193 GLY 0.810 0.041 194 CYS 0.460 0.023 stop_ save_