data_15358 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; structure of caenopore-5 (99 Pro trans) ; _BMRB_accession_number 15358 _BMRB_flat_file_name bmr15358.str _Entry_type original _Submission_date 2007-07-02 _Accession_date 2007-07-02 _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 Mysliwy Justyna . . 2 Grotzinger Joachim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 452 "13C chemical shifts" 244 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-16 update BMRB 'complete entry citation' 2009-10-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15330 'caenopore5 cis monomer' stop_ _Original_release_date 2007-07-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19917307 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mysliwy Justyna . . 2 Dingley Andrew J. . 3 Stanisak Mareike . . 4 Jung Sascha . . 5 Lorenzen Inken . . 6 Roeder Thomas . . 7 Leippe Matthias . . 8 Grotzinger Joachim . . stop_ _Journal_abbreviation 'Dev. Comp. Immunol.' _Journal_name_full 'Developmental and comparative immunology' _Journal_volume 34 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 323 _Page_last 330 _Year 2010 _Details . loop_ _Keyword caenopore-5 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'caenopore5 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'caenopore-5 Pro trans conformer' $caenopore-5 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_caenopore-5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common caenopore-5 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MSGSHHHHHHSSGIEGRGRS ALSCQMCELVVKKYEGSADK DANVIKKDFDAECKKLFHTI PFGTRECDHYVNSKVDPIIH ELEGGTAPKDVCTKLNECP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 ILE 15 GLU 16 GLY 17 ARG 18 GLY 19 ARG 20 SER 21 ALA 22 LEU 23 SER 24 CYS 25 GLN 26 MET 27 CYS 28 GLU 29 LEU 30 VAL 31 VAL 32 LYS 33 LYS 34 TYR 35 GLU 36 GLY 37 SER 38 ALA 39 ASP 40 LYS 41 ASP 42 ALA 43 ASN 44 VAL 45 ILE 46 LYS 47 LYS 48 ASP 49 PHE 50 ASP 51 ALA 52 GLU 53 CYS 54 LYS 55 LYS 56 LEU 57 PHE 58 HIS 59 THR 60 ILE 61 PRO 62 PHE 63 GLY 64 THR 65 ARG 66 GLU 67 CYS 68 ASP 69 HIS 70 TYR 71 VAL 72 ASN 73 SER 74 LYS 75 VAL 76 ASP 77 PRO 78 ILE 79 ILE 80 HIS 81 GLU 82 LEU 83 GLU 84 GLY 85 GLY 86 THR 87 ALA 88 PRO 89 LYS 90 ASP 91 VAL 92 CYS 93 THR 94 LYS 95 LEU 96 ASN 97 GLU 98 CYS 99 PRO 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 $caenopore-5 . . . . Caenorhabditis elegans 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 $caenopore-5 'recombinant technology' . Escherichia coli . pIVEX2.4a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $caenopore-5 . mM 1 2 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' H2O 93 % . . . D2O 7 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample1_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5.2 . pH pressure 1 . atm temperature 297 . 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 carbons' ppm 0 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample1_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'caenopore-5 Pro trans conformer' _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 12 12 SER H H 8.509 . 1 2 12 12 SER HA H 4.430 . 1 3 12 12 SER HB2 H 3.825 . 2 4 12 12 SER N N 118.485 . 1 5 13 13 GLY H H 8.404 . 1 6 13 13 GLY HA2 H 3.934 . 2 7 13 13 GLY N N 111.084 . 1 8 14 14 ILE H H 8.006 . 1 9 14 14 ILE HA H 4.086 . 1 10 14 14 ILE HB H 1.783 . 1 11 14 14 ILE HG2 H 0.810 . 1 12 14 14 ILE N N 119.966 . 1 13 15 15 GLU H H 8.528 . 1 14 15 15 GLU HA H 4.197 . 1 15 15 15 GLU HB2 H 1.906 . 2 16 15 15 GLU HG2 H 2.226 . 2 17 15 15 GLU N N 124.654 . 1 18 16 16 GLY H H 8.343 . 1 19 16 16 GLY HA2 H 3.876 . 2 20 16 16 GLY N N 110.097 . 1 21 17 17 ARG H H 8.143 . 1 22 17 17 ARG HA H 4.319 . 1 23 17 17 ARG HB2 H 1.701 . 2 24 17 17 ARG HB3 H 1.830 . 2 25 17 17 ARG HG2 H 1.575 . 2 26 17 17 ARG N N 120.459 . 1 27 18 18 GLY H H 8.477 . 1 28 18 18 GLY HA2 H 3.894 . 2 29 18 18 GLY N N 110.097 . 1 30 19 19 ARG H H 8.105 . 1 31 19 19 ARG HA H 4.283 . 1 32 19 19 ARG HB2 H 1.709 . 2 33 19 19 ARG HB3 H 1.817 . 2 34 19 19 ARG HD2 H 3.099 . 2 35 19 19 ARG HG2 H 1.565 . 2 36 19 19 ARG CA C 56.218 . 1 37 19 19 ARG CB C 30.987 . 1 38 19 19 ARG CD C 43.168 . 1 39 19 19 ARG CG C 27.098 . 1 40 19 19 ARG N N 120.706 . 1 41 20 20 SER H H 8.553 . 1 42 20 20 SER HA H 4.432 . 1 43 20 20 SER HB2 H 3.771 . 2 44 20 20 SER HB3 H 3.973 . 2 45 20 20 SER CA C 58.189 . 1 46 20 20 SER CB C 63.967 . 1 47 20 20 SER N N 117.992 . 1 48 21 21 ALA H H 8.233 . 1 49 21 21 ALA HA H 4.167 . 1 50 21 21 ALA HB H 1.435 . 1 51 21 21 ALA HB H 1.425 . 1 52 21 21 ALA CA C 53.662 . 1 53 21 21 ALA CB C 18.745 . 1 54 21 21 ALA N N 126.792 . 1 55 22 22 LEU H H 8.402 . 1 56 22 22 LEU HA H 4.036 . 1 57 22 22 LEU HB2 H 1.433 . 2 58 22 22 LEU HB3 H 1.416 . 2 59 22 22 LEU HD1 H 0.491 . 2 60 22 22 LEU HG H 0.313 . 1 61 22 22 LEU CA C 55.382 . 1 62 22 22 LEU CB C 42.077 . 1 63 22 22 LEU CD1 C 22.389 . 2 64 22 22 LEU CG C 24.622 . 1 65 22 22 LEU N N 121.062 . 1 66 23 23 SER H H 8.155 . 1 67 23 23 SER HA H 3.913 . 1 68 23 23 SER HB2 H 4.079 . 2 69 23 23 SER HB3 H 4.250 . 2 70 23 23 SER CA C 63.166 . 1 71 23 23 SER CB C 62.894 . 1 72 23 23 SER N N 114.448 . 1 73 24 24 CYS H H 7.630 . 1 74 24 24 CYS HA H 4.389 . 1 75 24 24 CYS HB2 H 3.456 . 2 76 24 24 CYS HB3 H 3.238 . 2 77 24 24 CYS CB C 37.631 . 1 78 24 24 CYS N N 120.980 . 1 79 25 25 GLN H H 8.056 . 1 80 25 25 GLN HA H 4.031 . 1 81 25 25 GLN HB2 H 2.082 . 2 82 25 25 GLN HB3 H 2.035 . 2 83 25 25 GLN HE22 H 6.828 . 2 84 25 25 GLN HG2 H 2.469 . 2 85 25 25 GLN HG3 H 2.331 . 2 86 25 25 GLN CA C 59.555 . 1 87 25 25 GLN CB C 30.148 . 1 88 25 25 GLN CG C 35.134 . 1 89 25 25 GLN N N 118.033 . 1 90 25 25 GLN NE2 N 111.084 . 1 91 26 26 MET H H 8.246 . 1 92 26 26 MET HA H 3.889 . 1 93 26 26 MET HB2 H 2.080 . 2 94 26 26 MET HB3 H 2.555 . 2 95 26 26 MET HE H 1.608 . 1 96 26 26 MET HG2 H 0.738 . 2 97 26 26 MET HG3 H 1.248 . 2 98 26 26 MET CA C 61.790 . 1 99 26 26 MET CB C 35.426 . 1 100 26 26 MET CE C 18.497 . 1 101 26 26 MET CG C 29.853 . 1 102 26 26 MET N N 118.732 . 1 103 27 27 CYS H H 8.415 . 1 104 27 27 CYS HA H 4.100 . 1 105 27 27 CYS HB2 H 3.198 . 2 106 27 27 CYS HB3 H 3.893 . 2 107 27 27 CYS CA C 61.807 . 1 108 27 27 CYS CB C 42.874 . 1 109 27 27 CYS N N 121.237 . 1 110 28 28 GLU H H 8.581 . 1 111 28 28 GLU HA H 3.974 . 1 112 28 28 GLU HB2 H 2.012 . 2 113 28 28 GLU HB3 H 2.007 . 2 114 28 28 GLU HG2 H 2.601 . 2 115 28 28 GLU HG3 H 2.281 . 2 116 28 28 GLU CA C 59.558 . 1 117 28 28 GLU CG C 36.507 . 1 118 28 28 GLU N N 118.019 . 1 119 29 29 LEU H H 7.881 . 1 120 29 29 LEU HA H 4.346 . 1 121 29 29 LEU HB2 H 1.833 . 2 122 29 29 LEU HB3 H 2.270 . 2 123 29 29 LEU HD1 H 0.917 . 2 124 29 29 LEU HD2 H 0.673 . 2 125 29 29 LEU HG H 1.752 . 1 126 29 29 LEU CA C 57.877 . 1 127 29 29 LEU CB C 42.067 . 1 128 29 29 LEU CD1 C 23.778 . 2 129 29 29 LEU CD2 C 24.877 . 2 130 29 29 LEU CG C 27.364 . 1 131 29 29 LEU N N 122.680 . 1 132 30 30 VAL H H 8.251 . 1 133 30 30 VAL HA H 3.315 . 1 134 30 30 VAL HB H 2.505 . 1 135 30 30 VAL HG1 H 0.767 . 2 136 30 30 VAL HG2 H 0.718 . 2 137 30 30 VAL CA C 64.085 . 1 138 30 30 VAL CB C 32.374 . 1 139 30 30 VAL CG1 C 22.694 . 2 140 30 30 VAL CG2 C 25.710 . 2 141 30 30 VAL N N 120.953 . 1 142 31 31 VAL H H 8.071 . 1 143 31 31 VAL HA H 3.340 . 1 144 31 31 VAL HB H 2.208 . 1 145 31 31 VAL HG1 H 1.072 . 2 146 31 31 VAL HG2 H 0.957 . 2 147 31 31 VAL CA C 67.602 . 1 148 31 31 VAL CB C 31.803 . 1 149 31 31 VAL CG1 C 23.739 . 2 150 31 31 VAL CG2 C 22.368 . 2 151 31 31 VAL N N 118.979 . 1 152 32 32 LYS H H 8.088 . 1 153 32 32 LYS HA H 4.096 . 1 154 32 32 LYS HB2 H 1.994 . 2 155 32 32 LYS HD2 H 1.651 . 2 156 32 32 LYS HE2 H 2.895 . 2 157 32 32 LYS HG2 H 1.414 . 2 158 32 32 LYS HG3 H 1.579 . 2 159 32 32 LYS CA C 59.838 . 1 160 32 32 LYS CB C 32.651 . 1 161 32 32 LYS CD C 29.319 . 1 162 32 32 LYS CE C 41.776 . 1 163 32 32 LYS CG C 25.147 . 1 164 32 32 LYS N N 119.226 . 1 165 33 33 LYS H H 8.460 . 1 166 33 33 LYS HA H 4.176 . 1 167 33 33 LYS HB2 H 1.916 . 2 168 33 33 LYS HB3 H 2.251 . 2 169 33 33 LYS HD2 H 1.608 . 2 170 33 33 LYS HD3 H 1.658 . 2 171 33 33 LYS HE2 H 2.664 . 2 172 33 33 LYS HE3 H 2.734 . 2 173 33 33 LYS HG2 H 1.312 . 2 174 33 33 LYS HG3 H 1.957 . 2 175 33 33 LYS CA C 57.066 . 1 176 33 33 LYS CB C 31.540 . 1 177 33 33 LYS CD C 27.670 . 1 178 33 33 LYS CE C 41.799 . 1 179 33 33 LYS CG C 24.059 . 1 180 33 33 LYS N N 118.868 . 1 181 34 34 TYR H H 8.966 . 1 182 34 34 TYR HA H 3.935 . 1 183 34 34 TYR HB2 H 2.724 . 2 184 34 34 TYR HB3 H 3.307 . 2 185 34 34 TYR HD1 H 6.878 . 1 186 34 34 TYR CA C 62.301 . 1 187 34 34 TYR CB C 39.007 . 1 188 34 34 TYR N N 121.940 . 1 189 35 35 GLU H H 8.980 . 1 190 35 35 GLU HA H 3.898 . 1 191 35 35 GLU HB2 H 2.087 . 2 192 35 35 GLU HB3 H 2.164 . 2 193 35 35 GLU HG2 H 2.586 . 2 194 35 35 GLU HG3 H 2.500 . 2 195 35 35 GLU CA C 58.979 . 1 196 35 35 GLU CB C 29.876 . 1 197 35 35 GLU CG C 35.967 . 1 198 35 35 GLU N N 118.239 . 1 199 36 36 GLY H H 7.696 . 1 200 36 36 GLY HA2 H 4.069 . 2 201 36 36 GLY HA3 H 3.653 . 2 202 36 36 GLY CA C 45.055 . 1 203 36 36 GLY N N 103.730 . 1 204 37 37 SER H H 6.977 . 1 205 37 37 SER HA H 4.364 . 1 206 37 37 SER HB2 H 3.843 . 2 207 37 37 SER HB3 H 3.661 . 2 208 37 37 SER CA C 57.087 . 1 209 37 37 SER CB C 63.450 . 1 210 37 37 SER N N 115.525 . 1 211 38 38 ALA H H 8.918 . 1 212 38 38 ALA HA H 4.153 . 1 213 38 38 ALA HB H 1.375 . 1 214 38 38 ALA CA C 54.285 . 1 215 38 38 ALA CB C 18.784 . 1 216 38 38 ALA N N 131.315 . 1 217 39 39 ASP H H 7.712 . 1 218 39 39 ASP HA H 4.578 . 1 219 39 39 ASP HB2 H 2.604 . 2 220 39 39 ASP HB3 H 2.617 . 2 221 39 39 ASP CA C 52.907 . 1 222 39 39 ASP CB C 41.519 . 1 223 39 39 ASP N N 114.785 . 1 224 40 40 LYS H H 8.386 . 1 225 40 40 LYS HA H 3.604 . 1 226 40 40 LYS HB2 H 1.747 . 2 227 40 40 LYS HB3 H 1.839 . 2 228 40 40 LYS HD2 H 0.502 . 2 229 40 40 LYS HD3 H 0.995 . 2 230 40 40 LYS HE2 H 2.596 . 2 231 40 40 LYS HE3 H 2.665 . 2 232 40 40 LYS HG2 H 0.911 . 2 233 40 40 LYS HG3 H 1.159 . 2 234 40 40 LYS CA C 54.835 . 1 235 40 40 LYS CB C 29.039 . 1 236 40 40 LYS CD C 27.379 . 1 237 40 40 LYS CE C 42.930 . 1 238 40 40 LYS CG C 24.324 . 1 239 40 40 LYS N N 119.226 . 1 240 41 41 ASP H H 7.523 . 1 241 41 41 ASP HA H 4.376 . 1 242 41 41 ASP HB2 H 2.559 . 2 243 41 41 ASP HB3 H 2.721 . 2 244 41 41 ASP CA C 54.330 . 1 245 41 41 ASP CB C 42.108 . 1 246 41 41 ASP N N 119.226 . 1 247 42 42 ALA H H 9.017 . 1 248 42 42 ALA HA H 3.860 . 1 249 42 42 ALA HB H 1.462 . 1 250 42 42 ALA CA C 55.680 . 1 251 42 42 ALA CB C 19.315 . 1 252 42 42 ALA N N 130.822 . 1 253 43 43 ASN H H 8.433 . 1 254 43 43 ASN HA H 4.386 . 1 255 43 43 ASN HB2 H 2.683 . 2 256 43 43 ASN HB3 H 2.956 . 2 257 43 43 ASN CA C 56.511 . 1 258 43 43 ASN CB C 38.255 . 1 259 43 43 ASN N N 114.785 . 1 260 44 44 VAL H H 7.510 . 1 261 44 44 VAL HA H 3.601 . 1 262 44 44 VAL HB H 2.164 . 1 263 44 44 VAL HG1 H 0.962 . 2 264 44 44 VAL HG2 H 0.970 . 2 265 44 44 VAL CA C 66.228 . 1 266 44 44 VAL CB C 33.117 . 1 267 44 44 VAL CG1 C 21.807 . 2 268 44 44 VAL CG2 C 22.324 . 2 269 44 44 VAL N N 123.173 . 1 270 45 45 ILE H H 8.084 . 1 271 45 45 ILE HA H 3.743 . 1 272 45 45 ILE HB H 1.788 . 1 273 45 45 ILE HD1 H 0.769 . 1 274 45 45 ILE HG12 H 1.085 . 2 275 45 45 ILE HG13 H 1.699 . 2 276 45 45 ILE HG2 H 0.846 . 1 277 45 45 ILE CA C 65.113 . 1 278 45 45 ILE CB C 37.376 . 1 279 45 45 ILE CD1 C 13.778 . 1 280 45 45 ILE CG1 C 29.065 . 1 281 45 45 ILE CG2 C 17.110 . 1 282 45 45 ILE N N 120.213 . 1 283 46 46 LYS H H 8.393 . 1 284 46 46 LYS HA H 3.809 . 1 285 46 46 LYS HB2 H 1.972 . 2 286 46 46 LYS HE2 H 2.734 . 2 287 46 46 LYS HG2 H 1.228 . 2 288 46 46 LYS HG3 H 1.721 . 2 289 46 46 LYS CA C 62.030 . 1 290 46 46 LYS CB C 32.915 . 1 291 46 46 LYS CE C 42.072 . 1 292 46 46 LYS CG C 29.293 . 1 293 46 46 LYS N N 118.239 . 1 294 47 47 LYS H H 7.469 . 1 295 47 47 LYS HA H 4.128 . 1 296 47 47 LYS HB2 H 1.977 . 2 297 47 47 LYS HD2 H 1.684 . 2 298 47 47 LYS HE2 H 2.938 . 2 299 47 47 LYS HG2 H 1.484 . 2 300 47 47 LYS HG3 H 1.622 . 2 301 47 47 LYS CA C 59.824 . 1 302 47 47 LYS CB C 32.656 . 1 303 47 47 LYS CD C 29.334 . 1 304 47 47 LYS CE C 41.800 . 1 305 47 47 LYS CG C 24.889 . 1 306 47 47 LYS N N 119.719 . 1 307 48 48 ASP H H 8.697 . 1 308 48 48 ASP HA H 4.483 . 1 309 48 48 ASP HB2 H 2.575 . 2 310 48 48 ASP HB3 H 2.796 . 2 311 48 48 ASP CA C 57.054 . 1 312 48 48 ASP CB C 40.422 . 1 313 48 48 ASP N N 122.433 . 1 314 49 49 PHE H H 9.328 . 1 315 49 49 PHE HA H 3.820 . 1 316 49 49 PHE HB2 H 2.925 . 2 317 49 49 PHE HB3 H 3.408 . 2 318 49 49 PHE HD1 H 6.972 . 1 319 49 49 PHE HD2 H 6.980 . 1 320 49 49 PHE CA C 62.071 . 1 321 49 49 PHE CB C 39.041 . 1 322 49 49 PHE N N 120.502 . 1 323 50 50 ASP H H 8.603 . 1 324 50 50 ASP HA H 3.855 . 1 325 50 50 ASP HB2 H 2.906 . 2 326 50 50 ASP HB3 H 3.026 . 2 327 50 50 ASP CA C 57.655 . 1 328 50 50 ASP CB C 41.246 . 1 329 50 50 ASP N N 120.706 . 1 330 51 51 ALA H H 7.510 . 1 331 51 51 ALA HA H 3.982 . 1 332 51 51 ALA HB H 1.475 . 1 333 51 51 ALA CA C 56.311 . 1 334 51 51 ALA CB C 18.201 . 1 335 51 51 ALA N N 117.499 . 1 336 52 52 GLU H H 7.604 . 1 337 52 52 GLU HA H 3.941 . 1 338 52 52 GLU HB2 H 1.751 . 2 339 52 52 GLU HB3 H 1.998 . 2 340 52 52 GLU HG2 H 2.180 . 2 341 52 52 GLU CA C 59.294 . 1 342 52 52 GLU CB C 29.581 . 1 343 52 52 GLU CG C 36.277 . 1 344 52 52 GLU N N 118.979 . 1 345 53 53 CYS H H 9.106 . 1 346 53 53 CYS HA H 3.502 . 1 347 53 53 CYS HB2 H 1.538 . 2 348 53 53 CYS HB3 H 2.788 . 2 349 53 53 CYS CA C 60.943 . 1 350 53 53 CYS CB C 37.388 . 1 351 53 53 CYS N N 120.292 . 1 352 54 54 LYS H H 7.888 . 1 353 54 54 LYS HA H 3.634 . 1 354 54 54 LYS HB2 H 1.713 . 2 355 54 54 LYS HB3 H 1.810 . 2 356 54 54 LYS HD2 H 1.536 . 2 357 54 54 LYS HD3 H 1.604 . 2 358 54 54 LYS HE2 H 2.815 . 2 359 54 54 LYS HG2 H 1.125 . 2 360 54 54 LYS HG3 H 1.703 . 2 361 54 54 LYS CA C 60.379 . 1 362 54 54 LYS CB C 32.093 . 1 363 54 54 LYS CD C 29.040 . 1 364 54 54 LYS CE C 42.355 . 1 365 54 54 LYS CG C 29.050 . 1 366 54 54 LYS N N 117.499 . 1 367 55 55 LYS H H 7.300 . 1 368 55 55 LYS HA H 4.028 . 1 369 55 55 LYS HB2 H 1.791 . 2 370 55 55 LYS HB3 H 1.831 . 2 371 55 55 LYS HD2 H 1.572 . 2 372 55 55 LYS HE2 H 2.809 . 2 373 55 55 LYS HG2 H 1.246 . 2 374 55 55 LYS HG3 H 1.472 . 2 375 55 55 LYS CA C 59.571 . 1 376 55 55 LYS CB C 32.647 . 1 377 55 55 LYS CD C 29.277 . 1 378 55 55 LYS CG C 24.853 . 1 379 55 55 LYS N N 120.213 . 1 380 56 56 LEU H H 8.074 . 1 381 56 56 LEU HA H 3.848 . 1 382 56 56 LEU HB2 H 0.492 . 2 383 56 56 LEU HB3 H 1.037 . 2 384 56 56 LEU HD1 H 0.591 . 2 385 56 56 LEU HD2 H 0.549 . 2 386 56 56 LEU HG H 1.253 . 1 387 56 56 LEU CA C 57.354 . 1 388 56 56 LEU CB C 41.816 . 1 389 56 56 LEU CD1 C 25.175 . 2 390 56 56 LEU CD2 C 23.226 . 2 391 56 56 LEU CG C 26.517 . 1 392 56 56 LEU N N 119.719 . 1 393 57 57 PHE H H 8.054 . 1 394 57 57 PHE HA H 4.983 . 1 395 57 57 PHE HB2 H 2.959 . 2 396 57 57 PHE HB3 H 3.084 . 2 397 57 57 PHE HD1 H 7.274 . 1 398 57 57 PHE HE1 H 7.023 . 1 399 57 57 PHE CA C 56.470 . 1 400 57 57 PHE CB C 37.916 . 1 401 57 57 PHE N N 113.798 . 1 402 58 58 HIS H H 7.523 . 1 403 58 58 HIS HA H 4.448 . 1 404 58 58 HIS HB2 H 3.459 . 2 405 58 58 HIS HD2 H 7.321 . 1 406 58 58 HIS CA C 59.037 . 1 407 58 58 HIS CB C 27.942 . 1 408 58 58 HIS N N 116.758 . 1 409 59 59 THR H H 7.674 . 1 410 59 59 THR HA H 4.085 . 1 411 59 59 THR HB H 4.323 . 1 412 59 59 THR HG2 H 0.831 . 1 413 59 59 THR CA C 62.033 . 1 414 59 59 THR CB C 68.425 . 1 415 59 59 THR CG2 C 21.520 . 1 416 59 59 THR N N 108.123 . 1 417 60 60 ILE H H 7.540 . 1 418 60 60 ILE HA H 4.444 . 1 419 60 60 ILE HB H 1.969 . 1 420 60 60 ILE HD1 H 0.816 . 1 421 60 60 ILE HG12 H 1.310 . 2 422 60 60 ILE HG13 H 1.477 . 2 423 60 60 ILE HG2 H 0.770 . 1 424 60 60 ILE CA C 58.167 . 1 425 60 60 ILE CB C 38.745 . 1 426 60 60 ILE CD1 C 12.948 . 1 427 60 60 ILE CG1 C 27.355 . 1 428 60 60 ILE CG2 C 16.555 . 1 429 60 60 ILE N N 124.900 . 1 430 61 61 PRO HA H 4.105 . 1 431 61 61 PRO HB2 H 1.756 . 2 432 61 61 PRO HB3 H 2.072 . 2 433 61 61 PRO HD2 H 3.597 . 2 434 61 61 PRO HD3 H 3.870 . 2 435 61 61 PRO HG2 H 1.915 . 2 436 61 61 PRO HG3 H 2.066 . 2 437 61 61 PRO CA C 64.800 . 1 438 61 61 PRO CB C 31.271 . 1 439 61 61 PRO CD C 51.236 . 1 440 61 61 PRO CG C 27.952 . 1 441 62 62 PHE HA H 4.560 . 1 442 62 62 PHE HB2 H 3.274 . 2 443 62 62 PHE HB3 H 3.316 . 2 444 62 62 PHE CA C 58.476 . 1 445 62 62 PHE CB C 37.121 . 1 446 63 63 GLY H H 8.543 . 1 447 63 63 GLY HA2 H 4.121 . 2 448 63 63 GLY HA3 H 3.355 . 2 449 63 63 GLY CA C 47.897 . 1 450 63 63 GLY N N 110.590 . 1 451 64 64 THR H H 8.513 . 1 452 64 64 THR HA H 4.206 . 1 453 64 64 THR HB H 3.618 . 1 454 64 64 THR HG2 H 1.247 . 1 455 64 64 THR CA C 67.646 . 1 456 64 64 THR CB C 67.349 . 1 457 64 64 THR CG2 C 22.105 . 1 458 64 64 THR N N 114.538 . 1 459 65 65 ARG H H 7.519 . 1 460 65 65 ARG HA H 4.177 . 1 461 65 65 ARG HB2 H 1.933 . 2 462 65 65 ARG HB3 H 1.967 . 2 463 65 65 ARG HD2 H 3.143 . 2 464 65 65 ARG HD3 H 3.133 . 2 465 65 65 ARG HG2 H 1.720 . 2 466 65 65 ARG HG3 H 1.462 . 2 467 65 65 ARG CA C 55.799 . 1 468 65 65 ARG CB C 30.146 . 1 469 65 65 ARG CD C 43.734 . 1 470 65 65 ARG CG C 26.789 . 1 471 65 65 ARG N N 121.940 . 1 472 66 66 GLU H H 8.453 . 1 473 66 66 GLU HA H 4.268 . 1 474 66 66 GLU HB2 H 2.076 . 2 475 66 66 GLU HB3 H 2.107 . 2 476 66 66 GLU HG2 H 2.313 . 2 477 66 66 GLU HG3 H 2.466 . 2 478 66 66 GLU CA C 58.981 . 1 479 66 66 GLU CB C 28.477 . 1 480 66 66 GLU CG C 36.257 . 1 481 66 66 GLU N N 120.459 . 1 482 67 67 CYS H H 8.467 . 1 483 67 67 CYS HA H 4.619 . 1 484 67 67 CYS HB2 H 3.099 . 2 485 67 67 CYS HB3 H 3.151 . 2 486 67 67 CYS CA C 59.277 . 1 487 67 67 CYS CB C 39.315 . 1 488 67 67 CYS N N 121.446 . 1 489 68 68 ASP H H 8.002 . 1 490 68 68 ASP HA H 4.514 . 1 491 68 68 ASP HB2 H 2.684 . 2 492 68 68 ASP HB3 H 2.810 . 2 493 68 68 ASP CA C 57.902 . 1 494 68 68 ASP CB C 40.393 . 1 495 68 68 ASP N N 120.459 . 1 496 69 69 HIS H H 8.564 . 1 497 69 69 HIS HA H 4.510 . 1 498 69 69 HIS HB2 H 3.375 . 2 499 69 69 HIS HB3 H 3.400 . 2 500 69 69 HIS CA C 58.127 . 1 501 69 69 HIS CB C 28.480 . 1 502 69 69 HIS N N 119.246 . 1 503 70 70 TYR H H 8.765 . 1 504 70 70 TYR HA H 3.706 . 1 505 70 70 TYR HB2 H 3.460 . 2 506 70 70 TYR HB3 H 3.205 . 2 507 70 70 TYR HD1 H 7.589 . 1 508 70 70 TYR CA C 63.989 . 1 509 70 70 TYR CB C 40.145 . 1 510 70 70 TYR N N 125.887 . 1 511 71 71 VAL H H 8.295 . 1 512 71 71 VAL HA H 3.554 . 1 513 71 71 VAL HB H 2.459 . 1 514 71 71 VAL HG1 H 1.448 . 2 515 71 71 VAL HG2 H 1.024 . 2 516 71 71 VAL CA C 67.021 . 1 517 71 71 VAL CB C 32.084 . 1 518 71 71 VAL CG1 C 24.287 . 2 519 71 71 VAL CG2 C 21.555 . 2 520 71 71 VAL N N 118.239 . 1 521 72 72 ASN H H 7.511 . 1 522 72 72 ASN HA H 4.558 . 1 523 72 72 ASN HB2 H 2.776 . 2 524 72 72 ASN HB3 H 2.801 . 2 525 72 72 ASN CA C 55.116 . 1 526 72 72 ASN CB C 39.569 . 1 527 72 72 ASN N N 116.018 . 1 528 73 73 SER H H 7.709 . 1 529 73 73 SER HA H 4.633 . 1 530 73 73 SER HB2 H 3.548 . 2 531 73 73 SER HB3 H 3.450 . 2 532 73 73 SER CA C 59.832 . 1 533 73 73 SER CB C 65.899 . 1 534 73 73 SER N N 110.837 . 1 535 74 74 LYS H H 7.942 . 1 536 74 74 LYS HA H 4.280 . 1 537 74 74 LYS HB2 H 0.134 . 2 538 74 74 LYS HB3 H 0.860 . 2 539 74 74 LYS HD2 H 1.221 . 2 540 74 74 LYS HD3 H 1.398 . 2 541 74 74 LYS HE2 H 2.799 . 2 542 74 74 LYS HG2 H 0.743 . 2 543 74 74 LYS HG3 H 0.990 . 2 544 74 74 LYS CA C 55.124 . 1 545 74 74 LYS CB C 33.198 . 1 546 74 74 LYS CD C 27.660 . 1 547 74 74 LYS CE C 42.080 . 1 548 74 74 LYS CG C 24.338 . 1 549 74 74 LYS N N 120.706 . 1 550 75 75 VAL H H 7.227 . 1 551 75 75 VAL HA H 3.315 . 1 552 75 75 VAL HB H 1.870 . 1 553 75 75 VAL HG1 H 0.751 . 2 554 75 75 VAL HG2 H 0.650 . 2 555 75 75 VAL CA C 67.599 . 1 556 75 75 VAL CB C 31.540 . 1 557 75 75 VAL CG1 C 22.387 . 2 558 75 75 VAL CG2 C 25.141 . 2 559 75 75 VAL N N 120.147 . 1 560 76 76 ASP H H 8.851 . 1 561 76 76 ASP HA H 4.402 . 1 562 76 76 ASP HB2 H 2.501 . 2 563 76 76 ASP HB3 H 2.332 . 2 564 76 76 ASP CA C 59.568 . 1 565 76 76 ASP CB C 37.667 . 1 566 76 76 ASP N N 117.992 . 1 567 77 77 PRO HA H 4.158 . 1 568 77 77 PRO HB2 H 1.701 . 2 569 77 77 PRO HB3 H 2.239 . 2 570 77 77 PRO HD2 H 3.270 . 2 571 77 77 PRO HG2 H 2.100 . 2 572 77 77 PRO HG3 H 1.866 . 2 573 77 77 PRO CA C 66.237 . 1 574 77 77 PRO CB C 31.347 . 1 575 77 77 PRO CD C 49.590 . 1 576 77 77 PRO CG C 27.660 . 1 577 78 78 ILE H H 7.243 . 1 578 78 78 ILE HA H 3.315 . 1 579 78 78 ILE HB H 1.811 . 1 580 78 78 ILE HD1 H 0.956 . 1 581 78 78 ILE HG12 H 0.666 . 2 582 78 78 ILE HG13 H 1.703 . 2 583 78 78 ILE HG2 H 0.616 . 1 584 78 78 ILE CA C 65.957 . 1 585 78 78 ILE CB C 38.787 . 1 586 78 78 ILE CD1 C 16.909 . 1 587 78 78 ILE CG1 C 29.817 . 1 588 78 78 ILE CG2 C 17.681 . 1 589 78 78 ILE N N 119.472 . 1 590 79 79 ILE H H 8.180 . 1 591 79 79 ILE HA H 3.218 . 1 592 79 79 ILE HB H 1.938 . 1 593 79 79 ILE HD1 H 0.805 . 1 594 79 79 ILE HG12 H 0.905 . 2 595 79 79 ILE HG13 H 1.706 . 2 596 79 79 ILE HG2 H 0.892 . 1 597 79 79 ILE CA C 65.939 . 1 598 79 79 ILE CB C 37.344 . 1 599 79 79 ILE CD1 C 13.784 . 1 600 79 79 ILE CG1 C 29.067 . 1 601 79 79 ILE CG2 C 17.116 . 1 602 79 79 ILE N N 119.472 . 1 603 80 80 HIS H H 8.671 . 1 604 80 80 HIS HA H 4.351 . 1 605 80 80 HIS HB2 H 3.197 . 2 606 80 80 HIS HB3 H 3.216 . 2 607 80 80 HIS HD2 H 7.731 . 1 608 80 80 HIS HE1 H 7.205 . 1 609 80 80 HIS CA C 58.731 . 1 610 80 80 HIS CB C 27.913 . 1 611 80 80 HIS N N 117.252 . 1 612 81 81 GLU H H 7.720 . 1 613 81 81 GLU HA H 3.852 . 1 614 81 81 GLU HB2 H 1.922 . 2 615 81 81 GLU HB3 H 2.164 . 2 616 81 81 GLU HG2 H 2.037 . 2 617 81 81 GLU HG3 H 2.335 . 2 618 81 81 GLU CA C 58.752 . 1 619 81 81 GLU CB C 29.862 . 1 620 81 81 GLU CG C 36.247 . 1 621 81 81 GLU N N 120.459 . 1 622 82 82 LEU H H 7.760 . 1 623 82 82 LEU HA H 3.957 . 1 624 82 82 LEU HB2 H 0.798 . 2 625 82 82 LEU HB3 H 1.347 . 2 626 82 82 LEU HD1 H 0.354 . 2 627 82 82 LEU HD2 H 0.609 . 2 628 82 82 LEU HG H 1.481 . 1 629 82 82 LEU CA C 57.607 . 1 630 82 82 LEU CB C 41.225 . 1 631 82 82 LEU CD1 C 26.558 . 2 632 82 82 LEU CD2 C 23.772 . 2 633 82 82 LEU CG C 27.102 . 1 634 82 82 LEU N N 121.199 . 1 635 83 83 GLU H H 8.885 . 1 636 83 83 GLU HA H 3.975 . 1 637 83 83 GLU HB2 H 1.978 . 2 638 83 83 GLU HB3 H 2.114 . 2 639 83 83 GLU HG2 H 2.520 . 2 640 83 83 GLU HG3 H 2.381 . 2 641 83 83 GLU CA C 58.691 . 1 642 83 83 GLU CB C 29.311 . 1 643 83 83 GLU CG C 36.489 . 1 644 83 83 GLU N N 121.199 . 1 645 84 84 GLY H H 7.496 . 1 646 84 84 GLY HA2 H 4.085 . 2 647 84 84 GLY HA3 H 3.768 . 2 648 84 84 GLY CA C 45.046 . 1 649 84 84 GLY N N 105.656 . 1 650 85 85 GLY H H 7.473 . 1 651 85 85 GLY HA2 H 4.367 . 2 652 85 85 GLY HA3 H 3.623 . 2 653 85 85 GLY CA C 44.875 . 1 654 85 85 GLY N N 106.396 . 1 655 86 86 THR H H 7.672 . 1 656 86 86 THR HA H 3.900 . 1 657 86 86 THR HB H 3.588 . 1 658 86 86 THR HG2 H 1.166 . 1 659 86 86 THR CA C 63.478 . 1 660 86 86 THR CB C 68.169 . 1 661 86 86 THR CG2 C 22.660 . 1 662 86 86 THR N N 120.706 . 1 663 87 87 ALA H H 9.043 . 1 664 87 87 ALA HA H 4.383 . 1 665 87 87 ALA HB H 1.393 . 1 666 87 87 ALA CA C 50.940 . 1 667 87 87 ALA CB C 17.375 . 1 668 87 87 ALA N N 132.796 . 1 669 88 88 PRO HA H 3.959 . 1 670 88 88 PRO HB2 H 2.085 . 2 671 88 88 PRO HB3 H 1.921 . 2 672 88 88 PRO HD2 H 3.805 . 2 673 88 88 PRO HG2 H 2.185 . 2 674 88 88 PRO HG3 H 1.873 . 2 675 88 88 PRO CA C 66.206 . 1 676 88 88 PRO CB C 32.105 . 1 677 88 88 PRO CD C 50.683 . 1 678 88 88 PRO CG C 27.665 . 1 679 89 89 LYS H H 8.127 . 1 680 89 89 LYS HA H 4.158 . 1 681 89 89 LYS HB2 H 1.731 . 2 682 89 89 LYS HB3 H 1.781 . 2 683 89 89 LYS HD2 H 1.602 . 2 684 89 89 LYS HD3 H 1.531 . 2 685 89 89 LYS HE2 H 2.902 . 2 686 89 89 LYS HG2 H 1.251 . 2 687 89 89 LYS HG3 H 1.301 . 2 688 89 89 LYS CA C 57.865 . 1 689 89 89 LYS CB C 31.817 . 1 690 89 89 LYS CD C 29.314 . 1 691 89 89 LYS CE C 41.808 . 1 692 89 89 LYS CG C 24.072 . 1 693 89 89 LYS N N 112.811 . 1 694 90 90 ASP H H 7.953 . 1 695 90 90 ASP HA H 4.862 . 1 696 90 90 ASP HB2 H 2.694 . 2 697 90 90 ASP HB3 H 2.522 . 2 698 90 90 ASP CA C 55.394 . 1 699 90 90 ASP CB C 42.883 . 1 700 90 90 ASP N N 117.971 . 1 701 91 91 VAL H H 7.144 . 1 702 91 91 VAL HA H 3.310 . 1 703 91 91 VAL HB H 1.846 . 1 704 91 91 VAL HG1 H 0.855 . 2 705 91 91 VAL HG2 H 0.832 . 2 706 91 91 VAL CA C 67.622 . 1 707 91 91 VAL CB C 31.798 . 1 708 91 91 VAL CG1 C 23.904 . 2 709 91 91 VAL CG2 C 22.250 . 2 710 91 91 VAL N N 120.213 . 1 711 92 92 CYS H H 8.772 . 1 712 92 92 CYS HA H 4.164 . 1 713 92 92 CYS HB2 H 2.785 . 2 714 92 92 CYS HB3 H 2.899 . 2 715 92 92 CYS CA C 58.998 . 1 716 92 92 CYS CB C 41.242 . 1 717 92 92 CYS N N 117.947 . 1 718 93 93 THR H H 8.347 . 1 719 93 93 THR HA H 4.418 . 1 720 93 93 THR HB H 3.917 . 1 721 93 93 THR HG2 H 1.162 . 1 722 93 93 THR CA C 64.824 . 1 723 93 93 THR CB C 68.177 . 1 724 93 93 THR CG2 C 21.855 . 1 725 93 93 THR N N 120.232 . 1 726 94 94 LYS H H 8.254 . 1 727 94 94 LYS HA H 3.926 . 1 728 94 94 LYS HB2 H 1.787 . 2 729 94 94 LYS HB3 H 1.893 . 2 730 94 94 LYS HD2 H 1.403 . 2 731 94 94 LYS HD3 H 1.553 . 2 732 94 94 LYS HG2 H 1.183 . 2 733 94 94 LYS HG3 H 1.357 . 2 734 94 94 LYS CA C 60.106 . 1 735 94 94 LYS CB C 32.657 . 1 736 94 94 LYS CD C 30.142 . 1 737 94 94 LYS CG C 25.427 . 1 738 94 94 LYS N N 126.669 . 1 739 95 95 LEU H H 7.621 . 1 740 95 95 LEU HA H 4.205 . 1 741 95 95 LEU HB2 H 1.769 . 2 742 95 95 LEU HB3 H 1.536 . 2 743 95 95 LEU HD1 H 0.735 . 2 744 95 95 LEU HG H 0.673 . 1 745 95 95 LEU CA C 54.854 . 1 746 95 95 LEU CB C 42.372 . 1 747 95 95 LEU CD1 C 22.043 . 2 748 95 95 LEU CG C 26.533 . 1 749 95 95 LEU N N 114.538 . 1 750 96 96 ASN H H 7.990 . 1 751 96 96 ASN HA H 4.424 . 1 752 96 96 ASN HB2 H 3.081 . 2 753 96 96 ASN HB3 H 2.901 . 2 754 96 96 ASN CA C 55.142 . 1 755 96 96 ASN CB C 37.094 . 1 756 96 96 ASN N N 113.775 . 1 757 97 97 GLU H H 8.105 . 1 758 97 97 GLU HA H 4.207 . 1 759 97 97 GLU HB2 H 2.267 . 2 760 97 97 GLU HG2 H 2.203 . 2 761 97 97 GLU CA C 57.313 . 1 762 97 97 GLU CB C 31.232 . 1 763 97 97 GLU CG C 36.257 . 1 764 97 97 GLU N N 116.219 . 1 765 98 98 CYS H H 7.123 . 1 766 98 98 CYS HA H 4.777 . 1 767 98 98 CYS HB2 H 2.086 . 2 768 98 98 CYS HB3 H 3.271 . 2 769 98 98 CYS CB C 45.402 . 1 770 98 98 CYS N N 113.942 . 1 771 99 99 PRO HA H 4.190 . 1 772 99 99 PRO HB2 H 1.857 . 2 773 99 99 PRO HB3 H 2.107 . 2 774 99 99 PRO HD2 H 3.628 . 2 775 99 99 PRO HD3 H 3.502 . 2 776 99 99 PRO HG2 H 1.821 . 2 777 99 99 PRO HG3 H 1.869 . 2 778 99 99 PRO CA C 64.546 . 1 779 99 99 PRO CB C 32.352 . 1 780 99 99 PRO CD C 49.823 . 1 stop_ save_