data_25772 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H assignment of Elafin at 288K ; _BMRB_accession_number 25772 _BMRB_flat_file_name bmr25772.str _Entry_type original _Submission_date 2015-08-26 _Accession_date 2015-08-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loth Karine . . 2 'Abou Ibrahim Alami' Soha . . 3 Habes Chahrazed . . 4 Zani Marie-Louise . . 5 Delmas Agnes . . 6 Moreau Thierry . . 7 Landon Celine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 334 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-04 update BMRB 'update entry citation' 2016-03-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25771 Cementoin 25773 Trappin-2 stop_ _Original_release_date 2016-03-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Complete assignment of 15N, 13C Trappin-2 and 1H assignment of its two domains, Elafin and Cementoin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26878852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loth Karine . . 2 'Abou Ibrahim Alami' Soha . . 3 Habes Chahrazed . . 4 Zani Marie-Louise . . 5 Delmas Agnes . . 6 Moreau Thierry . . 7 Landon Celine . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 223 _Page_last 226 _Year 2016 _Details . loop_ _Keyword Cementoin Elafin 'Inflammatory lung diseases' 'Protease inhibitor' 'Serine proteases' Trappin-2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Elafin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Elafin $Elafin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Elafin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Elafin _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; AQEPVKGPVSTKPGSCPIIL IRCAMLNPPNRCLKDTDCPG IKKCCEGSCGMACFVPQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLN 3 3 GLU 4 4 PRO 5 5 VAL 6 6 LYS 7 7 GLY 8 8 PRO 9 9 VAL 10 10 SER 11 11 THR 12 12 LYS 13 13 PRO 14 14 GLY 15 15 SER 16 16 CYS 17 17 PRO 18 18 ILE 19 19 ILE 20 20 LEU 21 21 ILE 22 22 ARG 23 23 CYS 24 24 ALA 25 25 MET 26 26 LEU 27 27 ASN 28 28 PRO 29 29 PRO 30 30 ASN 31 31 ARG 32 32 CYS 33 33 LEU 34 34 LYS 35 35 ASP 36 36 THR 37 37 ASP 38 38 CYS 39 39 PRO 40 40 GLY 41 41 ILE 42 42 LYS 43 43 LYS 44 44 CYS 45 45 CYS 46 46 GLU 47 47 GLY 48 48 SER 49 49 CYS 50 50 GLY 51 51 MET 52 52 ALA 53 53 CYS 54 54 PHE 55 55 VAL 56 56 PRO 57 57 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Elafin 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 $Elafin 'recombinant technology' . Pichia pastoris GS115 pPIC9 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Elafin 0.08 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Ccpnmr _Saveframe_category software _Name Ccpnmr _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 6.1 . pH pressure 1 . atm temperature 288 . 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 water H 1 protons ppm 4.868 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' 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 Elafin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.067 0.01 . 2 1 1 ALA HB H 1.500 0.01 . 3 2 2 GLN H H 8.427 0.01 . 4 2 2 GLN HA H 4.330 0.01 . 5 2 2 GLN HB2 H 1.967 0.01 . 6 2 2 GLN HB3 H 2.043 0.01 . 7 2 2 GLN HG2 H 2.329 0.01 . 8 2 2 GLN HG3 H 2.329 0.01 . 9 2 2 GLN HE21 H 7.577 0.01 . 10 2 2 GLN HE22 H 6.828 0.01 . 11 3 3 GLU H H 8.673 0.01 . 12 3 3 GLU HA H 4.543 0.01 . 13 3 3 GLU HB2 H 2.010 0.01 . 14 3 3 GLU HB3 H 1.880 0.01 . 15 3 3 GLU HG2 H 2.301 0.01 . 16 3 3 GLU HG3 H 2.301 0.01 . 17 4 4 PRO HA H 4.432 0.01 . 18 4 4 PRO HB2 H 1.894 0.01 . 19 4 4 PRO HB3 H 2.308 0.01 . 20 4 4 PRO HG2 H 1.986 0.01 . 21 4 4 PRO HG3 H 1.986 0.01 . 22 4 4 PRO HD2 H 3.756 0.01 . 23 4 4 PRO HD3 H 3.579 0.01 . 24 5 5 VAL H H 8.336 0.01 . 25 5 5 VAL HA H 4.001 0.01 . 26 5 5 VAL HB H 2.007 0.01 . 27 5 5 VAL HG1 H 0.954 0.01 . 28 5 5 VAL HG2 H 0.918 0.01 . 29 6 6 LYS H H 8.545 0.01 . 30 6 6 LYS HA H 4.354 0.01 . 31 6 6 LYS HB2 H 1.736 0.01 . 32 6 6 LYS HB3 H 1.829 0.01 . 33 6 6 LYS HG2 H 1.404 0.01 . 34 6 6 LYS HG3 H 1.457 0.01 . 35 6 6 LYS HD2 H 1.825 0.01 . 36 6 6 LYS HD3 H 1.658 0.01 . 37 6 6 LYS HE2 H 2.970 0.01 . 38 6 6 LYS HE3 H 2.970 0.01 . 39 7 7 GLY H H 8.256 0.01 . 40 7 7 GLY HA2 H 4.133 0.01 . 41 7 7 GLY HA3 H 4.014 0.01 . 42 8 8 PRO HA H 4.436 0.01 . 43 8 8 PRO HB2 H 1.846 0.01 . 44 8 8 PRO HB3 H 2.269 0.01 . 45 8 8 PRO HG2 H 1.997 0.01 . 46 8 8 PRO HG3 H 1.997 0.01 . 47 8 8 PRO HD2 H 3.681 0.01 . 48 8 8 PRO HD3 H 3.814 0.01 . 49 9 9 VAL H H 8.246 0.01 . 50 9 9 VAL HA H 4.065 0.01 . 51 9 9 VAL HB H 2.058 0.01 . 52 9 9 VAL HG1 H 0.978 0.01 . 53 9 9 VAL HG2 H 0.999 0.01 . 54 10 10 SER H H 8.517 0.01 . 55 10 10 SER HA H 4.627 0.01 . 56 10 10 SER HB2 H 3.850 0.01 . 57 10 10 SER HB3 H 3.931 0.01 . 58 11 11 THR H H 8.190 0.01 . 59 11 11 THR HA H 4.522 0.01 . 60 11 11 THR HB H 4.119 0.01 . 61 11 11 THR HG2 H 1.180 0.01 . 62 12 12 LYS H H 9.265 0.01 . 63 12 12 LYS HA H 4.606 0.01 . 64 12 12 LYS HB2 H 2.020 0.01 . 65 12 12 LYS HB3 H 1.812 0.01 . 66 12 12 LYS HG2 H 1.245 0.01 . 67 12 12 LYS HG3 H 1.385 0.01 . 68 12 12 LYS HD2 H 1.601 0.01 . 69 12 12 LYS HD3 H 1.601 0.01 . 70 12 12 LYS HE2 H 2.909 0.01 . 71 12 12 LYS HE3 H 2.909 0.01 . 72 13 13 PRO HA H 4.452 0.01 . 73 13 13 PRO HB2 H 1.842 0.01 . 74 13 13 PRO HB3 H 2.176 0.01 . 75 13 13 PRO HG2 H 1.993 0.01 . 76 13 13 PRO HG3 H 1.993 0.01 . 77 13 13 PRO HD2 H 3.593 0.01 . 78 13 13 PRO HD3 H 3.593 0.01 . 79 14 14 GLY H H 8.254 0.01 . 80 14 14 GLY HA2 H 4.430 0.01 . 81 14 14 GLY HA3 H 3.741 0.01 . 82 15 15 SER H H 8.653 0.01 . 83 15 15 SER HA H 4.956 0.01 . 84 15 15 SER HB2 H 3.768 0.01 . 85 15 15 SER HB3 H 3.568 0.01 . 86 16 16 CYS H H 9.100 0.01 . 87 16 16 CYS HA H 4.560 0.01 . 88 16 16 CYS HB2 H 2.784 0.01 . 89 16 16 CYS HB3 H 3.084 0.01 . 90 17 17 PRO HA H 4.300 0.01 . 91 17 17 PRO HB2 H 1.545 0.01 . 92 17 17 PRO HB3 H 2.089 0.01 . 93 17 17 PRO HG2 H 1.413 0.01 . 94 17 17 PRO HG3 H 1.656 0.01 . 95 17 17 PRO HD2 H 3.347 0.01 . 96 17 17 PRO HD3 H 3.512 0.01 . 97 18 18 ILE H H 8.456 0.01 . 98 18 18 ILE HA H 3.937 0.01 . 99 18 18 ILE HB H 1.719 0.01 . 100 18 18 ILE HG12 H 1.140 0.01 . 101 18 18 ILE HG13 H 1.471 0.01 . 102 18 18 ILE HG2 H 0.741 0.01 . 103 18 18 ILE HD1 H 0.742 0.01 . 104 19 19 ILE H H 8.609 0.01 . 105 19 19 ILE HA H 4.138 0.01 . 106 19 19 ILE HB H 1.676 0.01 . 107 19 19 ILE HG12 H 1.159 0.01 . 108 19 19 ILE HG13 H 1.085 0.01 . 109 19 19 ILE HG2 H 0.730 0.01 . 110 19 19 ILE HD1 H 0.580 0.01 . 111 20 20 LEU H H 8.675 0.01 . 112 20 20 LEU HA H 4.317 0.01 . 113 20 20 LEU HB2 H 1.546 0.01 . 114 20 20 LEU HB3 H 1.648 0.01 . 115 20 20 LEU HG H 1.546 0.01 . 116 20 20 LEU HD1 H 0.870 0.01 . 117 20 20 LEU HD2 H 0.769 0.01 . 118 21 21 ILE H H 7.394 0.01 . 119 21 21 ILE HA H 4.218 0.01 . 120 21 21 ILE HB H 1.744 0.01 . 121 21 21 ILE HG12 H 1.111 0.01 . 122 21 21 ILE HG13 H 1.430 0.01 . 123 21 21 ILE HG2 H 0.836 0.01 . 124 21 21 ILE HD1 H 0.834 0.01 . 125 22 22 ARG H H 8.429 0.01 . 126 22 22 ARG HA H 5.312 0.01 . 127 22 22 ARG HB2 H 1.926 0.01 . 128 22 22 ARG HB3 H 1.620 0.01 . 129 22 22 ARG HG2 H 1.536 0.01 . 130 22 22 ARG HG3 H 1.533 0.01 . 131 22 22 ARG HD2 H 3.244 0.01 . 132 22 22 ARG HD3 H 3.147 0.01 . 133 22 22 ARG HE H 7.099 0.01 . 134 23 23 CYS H H 8.894 0.01 . 135 23 23 CYS HA H 4.612 0.01 . 136 23 23 CYS HB2 H 3.214 0.01 . 137 23 23 CYS HB3 H 3.705 0.01 . 138 24 24 ALA H H 8.828 0.01 . 139 24 24 ALA HA H 4.416 0.01 . 140 24 24 ALA HB H 1.359 0.01 . 141 25 25 MET H H 7.210 0.01 . 142 25 25 MET HA H 4.261 0.01 . 143 25 25 MET HB2 H 1.929 0.01 . 144 25 25 MET HB3 H 1.929 0.01 . 145 25 25 MET HG2 H 2.466 0.01 . 146 25 25 MET HG3 H 2.370 0.01 . 147 25 25 MET HE H 2.089 0.01 . 148 26 26 LEU H H 8.491 0.01 . 149 26 26 LEU HA H 4.189 0.01 . 150 26 26 LEU HB2 H 1.492 0.01 . 151 26 26 LEU HB3 H 1.610 0.01 . 152 26 26 LEU HG H 1.607 0.01 . 153 26 26 LEU HD1 H 0.912 0.01 . 154 26 26 LEU HD2 H 0.864 0.01 . 155 27 27 ASN H H 8.757 0.01 . 156 27 27 ASN HA H 4.765 0.01 . 157 27 27 ASN HB2 H 2.696 0.01 . 158 27 27 ASN HB3 H 2.638 0.01 . 159 27 27 ASN HD21 H 7.636 0.01 . 160 27 27 ASN HD22 H 6.885 0.01 . 161 28 28 PRO HA H 4.539 0.01 . 162 28 28 PRO HB2 H 2.077 0.01 . 163 28 28 PRO HB3 H 1.900 0.01 . 164 28 28 PRO HG2 H 1.501 0.01 . 165 28 28 PRO HG3 H 1.670 0.01 . 166 28 28 PRO HD2 H 3.510 0.01 . 167 28 28 PRO HD3 H 3.585 0.01 . 168 29 29 PRO HA H 4.361 0.01 . 169 29 29 PRO HB2 H 2.134 0.01 . 170 29 29 PRO HB3 H 1.809 0.01 . 171 29 29 PRO HG2 H 1.984 0.01 . 172 29 29 PRO HG3 H 1.984 0.01 . 173 29 29 PRO HD2 H 3.640 0.01 . 174 29 29 PRO HD3 H 3.570 0.01 . 175 30 30 ASN H H 8.591 0.01 . 176 30 30 ASN HA H 5.270 0.01 . 177 30 30 ASN HB2 H 2.907 0.01 . 178 30 30 ASN HB3 H 2.695 0.01 . 179 30 30 ASN HD21 H 7.120 0.01 . 180 30 30 ASN HD22 H 7.630 0.01 . 181 31 31 ARG H H 8.837 0.01 . 182 31 31 ARG HA H 4.358 0.01 . 183 31 31 ARG HB2 H 2.113 0.01 . 184 31 31 ARG HB3 H 1.741 0.01 . 185 31 31 ARG HG2 H 1.801 0.01 . 186 31 31 ARG HG3 H 1.801 0.01 . 187 31 31 ARG HD2 H 3.173 0.01 . 188 31 31 ARG HD3 H 3.152 0.01 . 189 31 31 ARG HE H 7.230 0.01 . 190 32 32 CYS H H 7.596 0.01 . 191 32 32 CYS HA H 4.584 0.01 . 192 32 32 CYS HB2 H 2.941 0.01 . 193 32 32 CYS HB3 H 3.144 0.01 . 194 33 33 LEU H H 9.064 0.01 . 195 33 33 LEU HA H 4.644 0.01 . 196 33 33 LEU HB2 H 1.649 0.01 . 197 33 33 LEU HB3 H 1.521 0.01 . 198 33 33 LEU HG H 1.521 0.01 . 199 33 33 LEU HD1 H 0.909 0.01 . 200 33 33 LEU HD2 H 0.876 0.01 . 201 34 34 LYS H H 8.104 0.01 . 202 34 34 LYS HA H 4.879 0.01 . 203 34 34 LYS HB2 H 2.005 0.01 . 204 34 34 LYS HB3 H 1.815 0.01 . 205 34 34 LYS HG2 H 1.390 0.01 . 206 34 34 LYS HG3 H 1.243 0.01 . 207 34 34 LYS HD2 H 1.608 0.01 . 208 34 34 LYS HD3 H 1.608 0.01 . 209 34 34 LYS HE2 H 2.940 0.01 . 210 34 34 LYS HE3 H 2.950 0.01 . 211 35 35 ASP H H 9.471 0.01 . 212 35 35 ASP HA H 4.285 0.01 . 213 35 35 ASP HB2 H 2.509 0.01 . 214 35 35 ASP HB3 H 3.255 0.01 . 215 36 36 THR H H 7.828 0.01 . 216 36 36 THR HA H 4.213 0.01 . 217 36 36 THR HB H 4.498 0.01 . 218 36 36 THR HG2 H 1.286 0.01 . 219 37 37 ASP H H 7.964 0.01 . 220 37 37 ASP HA H 4.624 0.01 . 221 37 37 ASP HB2 H 3.117 0.01 . 222 37 37 ASP HB3 H 3.143 0.01 . 223 38 38 CYS H H 7.948 0.01 . 224 38 38 CYS HA H 5.045 0.01 . 225 38 38 CYS HB2 H 2.494 0.01 . 226 38 38 CYS HB3 H 2.949 0.01 . 227 39 39 PRO HA H 4.519 0.01 . 228 39 39 PRO HB2 H 2.261 0.01 . 229 39 39 PRO HB3 H 2.131 0.01 . 230 39 39 PRO HG2 H 1.954 0.01 . 231 39 39 PRO HG3 H 2.069 0.01 . 232 39 39 PRO HD2 H 3.596 0.01 . 233 39 39 PRO HD3 H 3.939 0.01 . 234 40 40 GLY H H 8.686 0.01 . 235 40 40 GLY HA2 H 3.759 0.01 . 236 40 40 GLY HA3 H 3.943 0.01 . 237 41 41 ILE H H 8.631 0.01 . 238 41 41 ILE HA H 4.319 0.01 . 239 41 41 ILE HB H 2.198 0.01 . 240 41 41 ILE HG12 H 1.082 0.01 . 241 41 41 ILE HG13 H 1.318 0.01 . 242 41 41 ILE HG2 H 0.946 0.01 . 243 41 41 ILE HD1 H 0.959 0.01 . 244 42 42 LYS H H 7.846 0.01 . 245 42 42 LYS HA H 4.134 0.01 . 246 42 42 LYS HB2 H 1.949 0.01 . 247 42 42 LYS HB3 H 1.673 0.01 . 248 42 42 LYS HG2 H 1.265 0.01 . 249 42 42 LYS HG3 H 1.262 0.01 . 250 42 42 LYS HD2 H 1.418 0.01 . 251 42 42 LYS HD3 H 1.418 0.01 . 252 42 42 LYS HE2 H 2.791 0.01 . 253 42 42 LYS HE3 H 2.791 0.01 . 254 43 43 LYS H H 8.802 0.01 . 255 43 43 LYS HA H 4.199 0.01 . 256 43 43 LYS HB2 H 2.041 0.01 . 257 43 43 LYS HB3 H 2.041 0.01 . 258 43 43 LYS HG2 H 1.477 0.01 . 259 43 43 LYS HG3 H 1.590 0.01 . 260 43 43 LYS HD2 H 1.635 0.01 . 261 43 43 LYS HD3 H 1.632 0.01 . 262 43 43 LYS HE2 H 2.714 0.01 . 263 43 43 LYS HE3 H 2.714 0.01 . 264 44 44 CYS H H 9.262 0.01 . 265 44 44 CYS HA H 4.982 0.01 . 266 44 44 CYS HB2 H 2.715 0.01 . 267 44 44 CYS HB3 H 2.518 0.01 . 268 45 45 CYS H H 9.486 0.01 . 269 45 45 CYS HA H 5.150 0.01 . 270 45 45 CYS HB2 H 3.289 0.01 . 271 45 45 CYS HB3 H 2.745 0.01 . 272 46 46 GLU H H 8.954 0.01 . 273 46 46 GLU HA H 4.139 0.01 . 274 46 46 GLU HB2 H 1.975 0.01 . 275 46 46 GLU HB3 H 1.919 0.01 . 276 46 46 GLU HG2 H 2.366 0.01 . 277 46 46 GLU HG3 H 2.269 0.01 . 278 47 47 GLY H H 7.947 0.01 . 279 47 47 GLY HA2 H 4.069 0.01 . 280 47 47 GLY HA3 H 4.587 0.01 . 281 48 48 SER H H 8.767 0.01 . 282 48 48 SER HA H 4.374 0.01 . 283 48 48 SER HB2 H 3.910 0.01 . 284 48 48 SER HB3 H 3.910 0.01 . 285 49 49 CYS H H 9.123 0.01 . 286 49 49 CYS HA H 5.038 0.01 . 287 49 49 CYS HB2 H 2.930 0.01 . 288 49 49 CYS HB3 H 3.076 0.01 . 289 50 50 GLY H H 9.032 0.01 . 290 50 50 GLY HA2 H 3.693 0.01 . 291 50 50 GLY HA3 H 3.693 0.01 . 292 51 51 MET H H 8.899 0.01 . 293 51 51 MET HA H 5.102 0.01 . 294 51 51 MET HB2 H 2.343 0.01 . 295 51 51 MET HB3 H 2.680 0.01 . 296 51 51 MET HG2 H 2.143 0.01 . 297 51 51 MET HG3 H 2.011 0.01 . 298 51 51 MET HE H 1.971 0.01 . 299 52 52 ALA H H 9.531 0.01 . 300 52 52 ALA HA H 4.436 0.01 . 301 52 52 ALA HB H 1.279 0.01 . 302 53 53 CYS H H 8.778 0.01 . 303 53 53 CYS HA H 5.546 0.01 . 304 53 53 CYS HB2 H 2.470 0.01 . 305 53 53 CYS HB3 H 2.861 0.01 . 306 54 54 PHE H H 9.957 0.01 . 307 54 54 PHE HA H 4.825 0.01 . 308 54 54 PHE HB2 H 2.476 0.01 . 309 54 54 PHE HB3 H 3.051 0.01 . 310 54 54 PHE HD1 H 7.248 0.01 . 311 54 54 PHE HD2 H 7.248 0.01 . 312 54 54 PHE HE1 H 7.406 0.01 . 313 54 54 PHE HE2 H 7.406 0.01 . 314 54 54 PHE HZ H 7.238 0.01 . 315 55 55 VAL H H 8.950 0.01 . 316 55 55 VAL HA H 3.952 0.01 . 317 55 55 VAL HB H 2.082 0.01 . 318 55 55 VAL HG1 H 1.083 0.01 . 319 55 55 VAL HG2 H 1.080 0.01 . 320 56 56 PRO HA H 4.524 0.01 . 321 56 56 PRO HB2 H 2.070 0.01 . 322 56 56 PRO HB3 H 2.238 0.01 . 323 56 56 PRO HG2 H 2.099 0.01 . 324 56 56 PRO HG3 H 1.941 0.01 . 325 56 56 PRO HD2 H 3.885 0.01 . 326 56 56 PRO HD3 H 3.446 0.01 . 327 57 57 GLN H H 8.717 0.01 . 328 57 57 GLN HA H 4.205 0.01 . 329 57 57 GLN HB2 H 1.756 0.01 . 330 57 57 GLN HB3 H 2.042 0.01 . 331 57 57 GLN HG2 H 2.222 0.01 . 332 57 57 GLN HG3 H 2.194 0.01 . 333 57 57 GLN HE21 H 6.919 0.01 . 334 57 57 GLN HE22 H 7.612 0.01 . stop_ save_