data_6432 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana At2g23090 ; _BMRB_accession_number 6432 _BMRB_flat_file_name bmr6432.str _Entry_type new _Submission_date 2004-12-14 _Accession_date 2004-12-14 _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 Tyler Robert C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 353 "13C chemical shifts" 307 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-20 update BMRB 'added time domain data' 2005-01-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution Structure of a partially diordered protein from Arabdopsis Thaliana At2g23090 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert C. . 2 Tonelli M. . . 3 Lee M. . . 4 Markley J. L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Protein Structure Initiative' stop_ save_ ################################## # Molecular system description # ################################## save_At2g23090_monomer _Saveframe_category molecular_system _Mol_system_name 'At2g23090 monomer' _Abbreviation_common 'At2g23090 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'At2g23090 unit 1' $At2g23090 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'At2g23090 monomer' _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_At2g23090 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'At2g23090 monomer' _Abbreviation_common At2g23090 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GHHHHHHLEGGGNAQKSAMA RAKNLEKAKAAGKGSQLEAN KKAMSIQCKVCMQTFICTTS EVKCREHAEAKHPKADVVAC FPHLKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 GLY 11 GLY 12 GLY 13 ASN 14 ALA 15 GLN 16 LYS 17 SER 18 ALA 19 MET 20 ALA 21 ARG 22 ALA 23 LYS 24 ASN 25 LEU 26 GLU 27 LYS 28 ALA 29 LYS 30 ALA 31 ALA 32 GLY 33 LYS 34 GLY 35 SER 36 GLN 37 LEU 38 GLU 39 ALA 40 ASN 41 LYS 42 LYS 43 ALA 44 MET 45 SER 46 ILE 47 GLN 48 CYS 49 LYS 50 VAL 51 CYS 52 MET 53 GLN 54 THR 55 PHE 56 ILE 57 CYS 58 THR 59 THR 60 SER 61 GLU 62 VAL 63 LYS 64 CYS 65 ARG 66 GLU 67 HIS 68 ALA 69 GLU 70 ALA 71 LYS 72 HIS 73 PRO 74 LYS 75 ALA 76 ASP 77 VAL 78 VAL 79 ALA 80 CYS 81 PHE 82 PRO 83 HIS 84 LEU 85 LYS 86 LYS 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 PDB 1WVK "Nmr Solution Structure Of The Partially Disordered Protein At2g23090 From Arabidopsis Thaliana" 100.00 86 100.00 100.00 2.48e-53 GB AAC17825 "Expressed protein [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 GB AAK96535 "At2g23090/F21P24.15 [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 GB AAL08233 "At2g23090/F21P24.15 [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 GB AAM62542 "unknown [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 GB AAN28739 "At2g23090/F21P24.15 [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 REF NP_565547 "uncharacterized protein [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 REF XP_002880480 "hypothetical protein ARALYDRAFT_481181 [Arabidopsis lyrata subsp. lyrata]" 89.53 78 98.70 98.70 2.43e-45 REF XP_006295352 "hypothetical protein CARUB_v10024443mg [Capsella rubella]" 89.53 78 100.00 100.00 1.85e-46 REF XP_010417064 "PREDICTED: uncharacterized protein At2g23090-like [Camelina sativa]" 89.53 128 100.00 100.00 5.88e-47 REF XP_010429253 "PREDICTED: uncharacterized protein At2g23090 [Camelina sativa]" 89.53 78 98.70 100.00 4.71e-46 SP O64818 "RecName: Full=Uncharacterized protein At2g23090 [Arabidopsis thaliana]" 89.53 78 100.00 100.00 1.85e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At2g23090 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $At2g23090 cell-free 'wheat germ' . . . . 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 $At2g23090 . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_13C_HSQC_(aliph)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC (aliph)' _Sample_label . save_ save_13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_EX-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 methylene ppm 4.7 internal direct spherical internal parallel 13.46382 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $EX-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'At2g23090 unit 1' _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 . 7 HIS CA C 56.015 . 1 2 . 7 HIS CB C 29.815 . 1 3 . 8 LEU N N 124.162 . 1 4 . 8 LEU H H 8.356 . 1 5 . 8 LEU CA C 55.047 . 1 6 . 8 LEU HA H 4.313 . 1 7 . 8 LEU CB C 42.281 . 1 8 . 8 LEU HB2 H 1.546 . 2 9 . 8 LEU CG C 26.848 . 1 10 . 8 LEU HG H 1.448 . 1 11 . 8 LEU CD1 C 23.576 . 1 12 . 8 LEU HD1 H 0.849 . 2 13 . 8 LEU CD2 C 24.913 . 1 14 . 8 LEU HD2 H 0.862 . 2 15 . 8 LEU C C 177.137 . 1 16 . 9 GLU N N 122.481 . 1 17 . 9 GLU H H 8.491 . 1 18 . 9 GLU CA C 56.664 . 1 19 . 9 GLU HA H 4.289 . 1 20 . 9 GLU CB C 30.212 . 1 21 . 9 GLU HB3 H 2.064 . 2 22 . 9 GLU HB2 H 1.961 . 2 23 . 9 GLU CG C 36.069 . 1 24 . 9 GLU HG2 H 2.274 . 2 25 . 9 GLU C C 177.016 . 1 26 . 10 GLY N N 110.412 . 1 27 . 10 GLY H H 8.490 . 1 28 . 10 GLY CA C 45.402 . 1 29 . 10 GLY HA2 H 3.980 . 2 30 . 10 GLY C C 174.833 . 1 31 . 11 GLY N N 108.709 . 1 32 . 11 GLY H H 8.339 . 1 33 . 11 GLY CA C 45.357 . 1 34 . 11 GLY HA2 H 3.976 . 2 35 . 11 GLY C C 174.939 . 1 36 . 12 GLY N N 108.766 . 1 37 . 12 GLY H H 8.363 . 1 38 . 12 GLY CA C 45.428 . 1 39 . 12 GLY HA2 H 3.950 . 2 40 . 12 GLY C C 174.253 . 1 41 . 13 ASN N N 118.847 . 1 42 . 13 ASN H H 8.372 . 1 43 . 13 ASN CA C 53.533 . 1 44 . 13 ASN HA H 4.678 . 1 45 . 13 ASN CB C 38.886 . 1 46 . 13 ASN HB2 H 2.796 . 2 47 . 13 ASN C C 175.543 . 1 48 . 14 ALA N N 124.403 . 1 49 . 14 ALA H H 8.340 . 1 50 . 14 ALA CA C 53.348 . 1 51 . 14 ALA HA H 4.254 . 1 52 . 14 ALA CB C 18.890 . 1 53 . 14 ALA HB H 1.393 . 1 54 . 14 ALA C C 178.261 . 1 55 . 15 GLN N N 119.044 . 1 56 . 15 GLN H H 8.271 . 1 57 . 15 GLN CA C 56.565 . 1 58 . 15 GLN HA H 4.256 . 1 59 . 15 GLN CB C 28.997 . 1 60 . 15 GLN HB2 H 2.062 . 2 61 . 15 GLN CG C 33.869 . 1 62 . 15 GLN HG2 H 2.379 . 2 63 . 15 GLN C C 176.704 . 1 64 . 16 LYS N N 121.977 . 1 65 . 16 LYS H H 8.250 . 1 66 . 16 LYS CA C 57.225 . 1 67 . 16 LYS HA H 4.252 . 1 68 . 16 LYS CB C 32.828 . 1 69 . 16 LYS HB2 H 1.825 . 2 70 . 16 LYS CG C 24.892 . 1 71 . 16 LYS HG2 H 1.453 . 2 72 . 16 LYS CD C 29.060 . 1 73 . 16 LYS HD2 H 1.697 . 2 74 . 16 LYS CE C 42.337 . 1 75 . 16 LYS HE2 H 2.990 . 2 76 . 16 LYS C C 177.429 . 1 77 . 17 SER N N 116.407 . 1 78 . 17 SER H H 8.270 . 1 79 . 17 SER CA C 58.963 . 1 80 . 17 SER HA H 4.376 . 1 81 . 17 SER CB C 63.630 . 1 82 . 17 SER HB2 H 3.905 . 2 83 . 17 SER C C 174.961 . 1 84 . 18 ALA N N 125.743 . 1 85 . 18 ALA H H 8.294 . 1 86 . 18 ALA CA C 53.520 . 1 87 . 18 ALA HA H 4.251 . 1 88 . 18 ALA CB C 18.809 . 1 89 . 18 ALA HB H 1.428 . 1 90 . 18 ALA C C 178.693 . 1 91 . 19 MET N N 118.786 . 1 92 . 19 MET H H 8.183 . 1 93 . 19 MET CA C 56.346 . 1 94 . 19 MET HA H 4.357 . 1 95 . 19 MET CB C 32.649 . 1 96 . 19 MET HB3 H 2.598 . 2 97 . 19 MET HB2 H 2.061 . 2 98 . 19 MET C C 176.711 . 1 99 . 20 ALA N N 124.451 . 1 100 . 20 ALA H H 8.091 . 1 101 . 20 ALA CA C 53.277 . 1 102 . 20 ALA HA H 4.243 . 1 103 . 20 ALA CB C 18.849 . 1 104 . 20 ALA HB H 1.413 . 1 105 . 20 ALA C C 178.321 . 1 106 . 21 ARG N N 119.683 . 1 107 . 21 ARG H H 8.128 . 1 108 . 21 ARG CA C 56.814 . 1 109 . 21 ARG HA H 4.234 . 1 110 . 21 ARG CB C 30.671 . 1 111 . 21 ARG HB2 H 1.828 . 2 112 . 21 ARG CG C 27.316 . 1 113 . 21 ARG HG2 H 1.667 . 2 114 . 21 ARG CD C 43.465 . 1 115 . 21 ARG HD2 H 3.210 . 2 116 . 21 ARG C C 176.744 . 1 117 . 22 ALA N N 124.253 . 1 118 . 22 ALA H H 8.131 . 1 119 . 22 ALA CA C 53.177 . 1 120 . 22 ALA HA H 4.246 . 1 121 . 22 ALA CB C 18.959 . 1 122 . 22 ALA HB H 1.429 . 1 123 . 22 ALA C C 178.363 . 1 124 . 23 LYS N N 120.026 . 1 125 . 23 LYS H H 8.204 . 1 126 . 23 LYS CA C 56.994 . 1 127 . 23 LYS HA H 4.216 . 1 128 . 23 LYS CB C 32.801 . 1 129 . 23 LYS HB2 H 1.805 . 2 130 . 23 LYS CG C 24.760 . 1 131 . 23 LYS HG2 H 1.452 . 2 132 . 23 LYS CD C 28.952 . 1 133 . 23 LYS HD2 H 1.708 . 2 134 . 23 LYS CE C 42.040 . 1 135 . 23 LYS HE2 H 2.989 . 2 136 . 23 LYS C C 176.950 . 1 137 . 24 ASN N N 119.032 . 1 138 . 24 ASN H H 8.309 . 1 139 . 24 ASN CA C 53.901 . 1 140 . 24 ASN HA H 4.630 . 1 141 . 24 ASN CB C 38.551 . 1 142 . 24 ASN HB2 H 2.811 . 2 143 . 24 ASN C C 175.770 . 1 144 . 25 LEU N N 122.502 . 1 145 . 25 LEU H H 8.185 . 1 146 . 25 LEU CA C 55.831 . 1 147 . 25 LEU HA H 4.280 . 1 148 . 25 LEU CB C 42.116 . 1 149 . 25 LEU HB2 H 1.642 . 2 150 . 25 LEU CG C 26.883 . 1 151 . 25 LEU HG H 1.623 . 1 152 . 25 LEU CD1 C 23.428 . 1 153 . 25 LEU HD1 H 0.854 . 2 154 . 25 LEU CD2 C 25.000 . 1 155 . 25 LEU HD2 H 0.912 . 2 156 . 25 LEU C C 177.834 . 1 157 . 26 GLU N N 121.203 . 1 158 . 26 GLU H H 8.221 . 1 159 . 26 GLU CA C 57.260 . 1 160 . 26 GLU HA H 4.182 . 1 161 . 26 GLU CB C 29.988 . 1 162 . 26 GLU HB2 H 2.019 . 2 163 . 26 GLU CG C 36.145 . 1 164 . 26 GLU HG2 H 2.278 . 2 165 . 26 GLU C C 177.165 . 1 166 . 27 LYS N N 121.881 . 1 167 . 27 LYS H H 8.192 . 1 168 . 27 LYS CA C 56.857 . 1 169 . 27 LYS HA H 4.215 . 1 170 . 27 LYS CB C 32.802 . 1 171 . 27 LYS HB2 H 1.808 . 2 172 . 27 LYS CG C 24.797 . 1 173 . 27 LYS HG2 H 1.464 . 2 174 . 27 LYS CD C 29.036 . 1 175 . 27 LYS HD2 H 1.717 . 2 176 . 27 LYS CE C 42.303 . 1 177 . 27 LYS HE2 H 2.997 . 2 178 . 27 LYS C C 176.900 . 1 179 . 28 ALA N N 124.321 . 1 180 . 28 ALA H H 8.157 . 1 181 . 28 ALA CA C 52.970 . 1 182 . 28 ALA HA H 4.250 . 1 183 . 28 ALA CB C 18.988 . 1 184 . 28 ALA HB H 1.399 . 1 185 . 28 ALA C C 178.202 . 1 186 . 29 LYS N N 120.423 . 1 187 . 29 LYS H H 8.175 . 1 188 . 29 LYS CA C 56.667 . 1 189 . 29 LYS HA H 4.223 . 1 190 . 29 LYS CB C 32.958 . 1 191 . 29 LYS HB2 H 1.802 . 2 192 . 29 LYS CG C 24.814 . 1 193 . 29 LYS HG2 H 1.462 . 2 194 . 29 LYS CD C 29.087 . 1 195 . 29 LYS HD2 H 1.719 . 2 196 . 29 LYS CE C 42.250 . 1 197 . 29 LYS HE2 H 2.992 . 2 198 . 29 LYS C C 176.765 . 1 199 . 30 ALA N N 124.776 . 1 200 . 30 ALA H H 8.166 . 1 201 . 30 ALA CA C 52.594 . 1 202 . 30 ALA HA H 4.274 . 1 203 . 30 ALA CB C 19.137 . 1 204 . 30 ALA HB H 1.390 . 1 205 . 30 ALA C C 177.542 . 1 206 . 31 ALA N N 123.240 . 1 207 . 31 ALA H H 8.189 . 1 208 . 31 ALA CA C 52.655 . 1 209 . 31 ALA HA H 4.305 . 1 210 . 31 ALA CB C 19.252 . 1 211 . 31 ALA HB H 1.404 . 1 212 . 31 ALA C C 178.317 . 1 213 . 32 GLY N N 107.913 . 1 214 . 32 GLY H H 8.283 . 1 215 . 32 GLY CA C 45.255 . 1 216 . 32 GLY HA2 H 3.962 . 2 217 . 32 GLY C C 174.348 . 1 218 . 33 LYS N N 120.948 . 1 219 . 33 LYS H H 8.250 . 1 220 . 33 LYS CA C 56.519 . 1 221 . 33 LYS HA H 4.332 . 1 222 . 33 LYS CB C 32.969 . 1 223 . 33 LYS HB2 H 1.823 . 2 224 . 33 LYS CG C 24.648 . 1 225 . 33 LYS HG2 H 1.442 . 2 226 . 33 LYS CD C 28.969 . 1 227 . 33 LYS HD2 H 1.701 . 2 228 . 33 LYS CE C 42.330 . 1 229 . 33 LYS HE2 H 2.995 . 2 230 . 33 LYS C C 177.347 . 1 231 . 34 GLY N N 110.109 . 1 232 . 34 GLY H H 8.513 . 1 233 . 34 GLY CA C 45.399 . 1 234 . 34 GLY HA2 H 3.985 . 2 235 . 34 GLY C C 174.408 . 1 236 . 35 SER N N 115.764 . 1 237 . 35 SER H H 8.239 . 1 238 . 35 SER CA C 58.565 . 1 239 . 35 SER HA H 4.418 . 1 240 . 35 SER CB C 63.886 . 1 241 . 35 SER HB2 H 3.876 . 2 242 . 35 SER C C 174.900 . 1 243 . 36 GLN N N 122.387 . 1 244 . 36 GLN H H 8.508 . 1 245 . 36 GLN CA C 56.185 . 1 246 . 36 GLN HA H 4.321 . 1 247 . 36 GLN CB C 29.103 . 1 248 . 36 GLN HB3 H 2.022 . 2 249 . 36 GLN HB2 H 2.100 . 2 250 . 36 GLN CG C 33.764 . 1 251 . 36 GLN HG2 H 2.368 . 2 252 . 36 GLN C C 176.126 . 1 253 . 37 LEU N N 122.632 . 1 254 . 37 LEU H H 8.165 . 1 255 . 37 LEU CA C 55.747 . 1 256 . 37 LEU HA H 4.270 . 1 257 . 37 LEU CB C 42.222 . 1 258 . 37 LEU HB2 H 1.604 . 2 259 . 37 LEU CG C 27.007 . 1 260 . 37 LEU CD1 C 23.629 . 1 261 . 37 LEU HD1 H 0.896 . 2 262 . 37 LEU CD2 C 24.901 . 1 263 . 37 LEU C C 177.768 . 1 264 . 38 GLU N N 121.399 . 1 265 . 38 GLU H H 8.311 . 1 266 . 38 GLU CA C 56.925 . 1 267 . 38 GLU HA H 4.195 . 1 268 . 38 GLU CB C 30.043 . 1 269 . 38 GLU HB3 H 1.969 . 2 270 . 38 GLU HB2 H 2.045 . 2 271 . 38 GLU CG C 36.170 . 1 272 . 38 GLU HG2 H 2.264 . 2 273 . 38 GLU C C 176.718 . 1 274 . 39 ALA N N 124.319 . 1 275 . 39 ALA H H 8.227 . 1 276 . 39 ALA CA C 53.212 . 1 277 . 39 ALA HA H 4.209 . 1 278 . 39 ALA CB C 18.981 . 1 279 . 39 ALA HB H 1.382 . 1 280 . 39 ALA C C 177.958 . 1 281 . 40 ASN N N 117.028 . 1 282 . 40 ASN H H 8.291 . 1 283 . 40 ASN CA C 53.519 . 1 284 . 40 ASN HA H 4.629 . 1 285 . 40 ASN CB C 38.574 . 1 286 . 40 ASN HB2 H 2.818 . 2 287 . 40 ASN C C 175.584 . 1 288 . 41 LYS N N 121.472 . 1 289 . 41 LYS H H 8.106 . 1 290 . 41 LYS CA C 56.891 . 1 291 . 41 LYS HA H 4.241 . 1 292 . 41 LYS CB C 32.792 . 1 293 . 41 LYS HB2 H 1.812 . 2 294 . 41 LYS CG C 25.000 . 1 295 . 41 LYS HG2 H 1.433 . 2 296 . 41 LYS CD C 29.027 . 1 297 . 41 LYS HD2 H 1.700 . 2 298 . 41 LYS CE C 42.305 . 1 299 . 41 LYS HE2 H 2.982 . 2 300 . 41 LYS C C 176.778 . 1 301 . 42 LYS N N 121.275 . 1 302 . 42 LYS H H 8.145 . 1 303 . 42 LYS CA C 56.347 . 1 304 . 42 LYS HA H 4.268 . 1 305 . 42 LYS CB C 32.918 . 1 306 . 42 LYS HB2 H 1.799 . 2 307 . 42 LYS CG C 24.829 . 1 308 . 42 LYS HG2 H 1.430 . 2 309 . 42 LYS CD C 29.023 . 1 310 . 42 LYS HD2 H 1.697 . 2 311 . 42 LYS CE C 42.320 . 1 312 . 42 LYS HE2 H 2.987 . 2 313 . 42 LYS C C 176.176 . 1 314 . 43 ALA N N 124.236 . 1 315 . 43 ALA H H 8.048 . 1 316 . 43 ALA CA C 52.485 . 1 317 . 43 ALA HA H 4.314 . 1 318 . 43 ALA CB C 19.302 . 1 319 . 43 ALA HB H 1.406 . 1 320 . 43 ALA C C 177.546 . 1 321 . 44 MET N N 121.010 . 1 322 . 44 MET H H 8.309 . 1 323 . 44 MET CA C 54.595 . 1 324 . 44 MET HA H 4.661 . 1 325 . 44 MET CB C 31.917 . 1 326 . 44 MET HB3 H 2.583 . 2 327 . 44 MET HB2 H 2.028 . 2 328 . 44 MET C C 175.980 . 1 329 . 45 SER N N 114.831 . 1 330 . 45 SER H H 7.905 . 1 331 . 45 SER CA C 58.281 . 1 332 . 45 SER HA H 4.522 . 1 333 . 45 SER CB C 64.336 . 1 334 . 45 SER HB3 H 3.778 . 2 335 . 45 SER HB2 H 3.833 . 2 336 . 45 SER C C 173.968 . 1 337 . 46 ILE N N 122.873 . 1 338 . 46 ILE H H 8.480 . 1 339 . 46 ILE CA C 60.917 . 1 340 . 46 ILE HA H 4.203 . 1 341 . 46 ILE CB C 39.882 . 1 342 . 46 ILE HB H 1.649 . 1 343 . 46 ILE CG1 C 27.670 . 2 344 . 46 ILE HG13 H 0.563 . 1 345 . 46 ILE HG12 H 1.358 . 1 346 . 46 ILE CD1 C 13.695 . 1 347 . 46 ILE HD1 H 0.551 . 1 348 . 46 ILE CG2 C 18.382 . 1 349 . 46 ILE HG2 H 0.776 . 1 350 . 46 ILE C C 174.181 . 1 351 . 47 GLN N N 125.907 . 1 352 . 47 GLN H H 8.360 . 1 353 . 47 GLN CA C 53.934 . 1 354 . 47 GLN HA H 5.397 . 1 355 . 47 GLN CB C 33.171 . 1 356 . 47 GLN HB2 H 1.786 . 2 357 . 47 GLN HG2 H 1.998 . 2 358 . 47 GLN NE2 N 111.785 . 1 359 . 47 GLN HE21 H 7.123 . 2 360 . 47 GLN HE22 H 6.689 . 2 361 . 47 GLN C C 174.765 . 1 362 . 48 CYS N N 127.428 . 1 363 . 48 CYS H H 8.686 . 1 364 . 48 CYS CA C 58.288 . 1 365 . 48 CYS HA H 3.874 . 1 366 . 48 CYS CB C 29.678 . 1 367 . 48 CYS HB3 H 2.600 . 2 368 . 48 CYS HB2 H 3.103 . 2 369 . 48 CYS C C 177.863 . 1 370 . 49 LYS N N 129.703 . 1 371 . 49 LYS H H 9.829 . 1 372 . 49 LYS CA C 56.127 . 1 373 . 49 LYS HA H 4.155 . 1 374 . 49 LYS CB C 30.620 . 1 375 . 49 LYS HB3 H 1.919 . 2 376 . 49 LYS HB2 H 2.097 . 2 377 . 49 LYS CG C 24.443 . 1 378 . 49 LYS HG2 H 1.579 . 2 379 . 49 LYS CD C 27.740 . 1 380 . 49 LYS CE C 42.441 . 1 381 . 49 LYS HE2 H 3.049 . 2 382 . 49 LYS C C 176.938 . 1 383 . 50 VAL N N 120.881 . 1 384 . 50 VAL H H 8.709 . 1 385 . 50 VAL CA C 65.045 . 1 386 . 50 VAL HA H 3.829 . 1 387 . 50 VAL CB C 32.233 . 1 388 . 50 VAL HB H 0.897 . 1 389 . 50 VAL HG2 H 0.383 . 2 390 . 50 VAL CG1 C 23.518 . 1 391 . 50 VAL HG1 H 0.593 . 2 392 . 50 VAL C C 176.653 . 1 393 . 51 CYS N N 116.622 . 1 394 . 51 CYS H H 8.078 . 1 395 . 51 CYS CA C 58.474 . 1 396 . 51 CYS HA H 5.086 . 1 397 . 51 CYS CB C 31.919 . 1 398 . 51 CYS HB3 H 2.990 . 2 399 . 51 CYS HB2 H 3.533 . 2 400 . 51 CYS C C 175.814 . 1 401 . 52 MET N N 117.356 . 1 402 . 52 MET H H 8.005 . 1 403 . 52 MET CA C 57.158 . 1 404 . 52 MET HA H 4.458 . 1 405 . 52 MET CB C 28.508 . 1 406 . 52 MET HB3 H 2.166 . 2 407 . 52 MET HB2 H 2.518 . 2 408 . 52 MET HG3 H 2.217 . 2 409 . 52 MET HG2 H 2.586 . 2 410 . 52 MET C C 175.867 . 1 411 . 53 GLN N N 123.892 . 1 412 . 53 GLN H H 8.335 . 1 413 . 53 GLN CA C 57.896 . 1 414 . 53 GLN HA H 4.114 . 1 415 . 53 GLN CB C 29.403 . 1 416 . 53 GLN HB3 H 1.507 . 2 417 . 53 GLN HB2 H 2.334 . 2 418 . 53 GLN CG C 33.803 . 1 419 . 53 GLN HG3 H 1.761 . 2 420 . 53 GLN HG2 H 2.105 . 2 421 . 53 GLN NE2 N 113.341 . 1 422 . 53 GLN HE21 H 7.016 . 2 423 . 53 GLN HE22 H 7.383 . 2 424 . 53 GLN C C 174.926 . 1 425 . 54 THR N N 116.430 . 1 426 . 54 THR H H 8.055 . 1 427 . 54 THR CA C 60.922 . 1 428 . 54 THR HA H 5.082 . 1 429 . 54 THR CB C 70.862 . 1 430 . 54 THR HB H 4.084 . 1 431 . 54 THR CG2 C 22.388 . 1 432 . 54 THR HG2 H 1.172 . 1 433 . 54 THR C C 173.808 . 1 434 . 55 PHE N N 121.267 . 1 435 . 55 PHE H H 9.092 . 1 436 . 55 PHE CA C 56.256 . 1 437 . 55 PHE HA H 4.687 . 1 438 . 55 PHE CB C 41.774 . 1 439 . 55 PHE HB3 H 2.490 . 2 440 . 55 PHE HB2 H 3.318 . 2 441 . 55 PHE HD1 H 7.181 . 3 442 . 55 PHE C C 175.044 . 1 443 . 56 ILE N N 119.149 . 1 444 . 56 ILE H H 8.544 . 1 445 . 56 ILE CA C 62.095 . 1 446 . 56 ILE HA H 4.496 . 1 447 . 56 ILE CB C 39.014 . 1 448 . 56 ILE HB H 1.995 . 1 449 . 56 ILE CG1 C 27.991 . 2 450 . 56 ILE HG13 H 1.517 . 1 451 . 56 ILE HG12 H 1.371 . 1 452 . 56 ILE CD1 C 14.007 . 1 453 . 56 ILE HD1 H 0.917 . 1 454 . 56 ILE CG2 C 17.236 . 1 455 . 56 ILE HG2 H 1.002 . 1 456 . 56 ILE C C 178.873 . 1 457 . 57 CYS N N 122.531 . 1 458 . 57 CYS H H 8.870 . 1 459 . 57 CYS CA C 60.779 . 1 460 . 57 CYS HA H 4.275 . 1 461 . 57 CYS CB C 27.433 . 1 462 . 57 CYS HB2 H 3.061 . 2 463 . 57 CYS C C 174.124 . 1 464 . 58 THR N N 110.197 . 1 465 . 58 THR H H 7.081 . 1 466 . 58 THR CA C 61.353 . 1 467 . 58 THR HA H 4.298 . 1 468 . 58 THR CB C 68.249 . 1 469 . 58 THR HB H 4.568 . 1 470 . 58 THR CG2 C 22.644 . 1 471 . 58 THR HG2 H 1.262 . 1 472 . 58 THR C C 174.415 . 1 473 . 59 THR N N 120.226 . 1 474 . 59 THR H H 7.820 . 1 475 . 59 THR CA C 65.358 . 1 476 . 59 THR HA H 4.317 . 1 477 . 59 THR CB C 69.146 . 1 478 . 59 THR HB H 3.880 . 1 479 . 59 THR CG2 C 22.329 . 1 480 . 59 THR HG2 H 1.157 . 1 481 . 59 THR C C 174.144 . 1 482 . 60 SER N N 124.242 . 1 483 . 60 SER H H 8.497 . 1 484 . 60 SER CA C 57.633 . 1 485 . 60 SER HA H 4.344 . 1 486 . 60 SER CB C 65.074 . 1 487 . 60 SER HB2 H 4.037 . 2 488 . 60 SER C C 174.955 . 1 489 . 61 GLU N N 122.953 . 1 490 . 61 GLU H H 8.945 . 1 491 . 61 GLU CA C 59.977 . 1 492 . 61 GLU HA H 3.792 . 1 493 . 61 GLU CB C 28.716 . 1 494 . 61 GLU HB3 H 1.971 . 2 495 . 61 GLU HB2 H 2.070 . 2 496 . 61 GLU CG C 36.132 . 1 497 . 61 GLU HG3 H 2.125 . 2 498 . 61 GLU HG2 H 2.301 . 2 499 . 61 GLU C C 178.534 . 1 500 . 62 VAL N N 117.591 . 1 501 . 62 VAL H H 7.805 . 1 502 . 62 VAL CA C 66.155 . 1 503 . 62 VAL HA H 3.601 . 1 504 . 62 VAL CB C 31.875 . 1 505 . 62 VAL HB H 1.945 . 1 506 . 62 VAL CG2 C 20.807 . 1 507 . 62 VAL HG2 H 0.903 . 2 508 . 62 VAL HG1 H 1.022 . 2 509 . 62 VAL C C 177.723 . 1 510 . 63 LYS N N 120.612 . 1 511 . 63 LYS H H 7.516 . 1 512 . 63 LYS CA C 58.330 . 1 513 . 63 LYS HA H 4.091 . 1 514 . 63 LYS CB C 31.605 . 1 515 . 63 LYS HB3 H 1.696 . 2 516 . 63 LYS HB2 H 1.940 . 2 517 . 63 LYS CG C 25.360 . 1 518 . 63 LYS HG2 H 1.401 . 2 519 . 63 LYS CD C 28.364 . 1 520 . 63 LYS HD2 H 1.536 . 2 521 . 63 LYS CE C 42.390 . 1 522 . 63 LYS HE2 H 3.011 . 2 523 . 63 LYS C C 180.335 . 1 524 . 64 CYS N N 119.993 . 1 525 . 64 CYS H H 7.678 . 1 526 . 64 CYS CA C 63.901 . 1 527 . 64 CYS HA H 3.197 . 1 528 . 64 CYS CB C 25.735 . 1 529 . 64 CYS HB2 H 2.504 . 2 530 . 64 CYS C C 176.151 . 1 531 . 65 ARG N N 120.072 . 1 532 . 65 ARG H H 8.267 . 1 533 . 65 ARG CA C 60.753 . 1 534 . 65 ARG HA H 3.797 . 1 535 . 65 ARG CB C 29.276 . 1 536 . 65 ARG HB3 H 1.899 . 2 537 . 65 ARG HB2 H 1.834 . 2 538 . 65 ARG CG C 28.383 . 1 539 . 65 ARG HG2 H 1.516 . 2 540 . 65 ARG CD C 43.043 . 1 541 . 65 ARG HD3 H 3.111 . 2 542 . 65 ARG HD2 H 3.258 . 2 543 . 65 ARG C C 178.347 . 1 544 . 66 GLU N N 118.956 . 1 545 . 66 GLU H H 8.448 . 1 546 . 66 GLU CA C 59.500 . 1 547 . 66 GLU HA H 4.033 . 1 548 . 66 GLU CB C 29.734 . 1 549 . 66 GLU HB2 H 2.108 . 2 550 . 66 GLU CG C 36.559 . 1 551 . 66 GLU HG3 H 2.187 . 2 552 . 66 GLU HG2 H 2.525 . 2 553 . 66 GLU C C 179.155 . 1 554 . 67 HIS N N 118.003 . 1 555 . 67 HIS H H 7.738 . 1 556 . 67 HIS CA C 60.113 . 1 557 . 67 HIS HA H 4.357 . 1 558 . 67 HIS CB C 27.955 . 1 559 . 67 HIS HB3 H 3.391 . 2 560 . 67 HIS HB2 H 3.653 . 2 561 . 67 HIS HD2 H 7.245 . 3 562 . 67 HIS C C 176.189 . 1 563 . 68 ALA N N 120.591 . 1 564 . 68 ALA H H 8.241 . 1 565 . 68 ALA CA C 56.152 . 1 566 . 68 ALA HA H 4.002 . 1 567 . 68 ALA CB C 19.280 . 1 568 . 68 ALA HB H 1.886 . 1 569 . 68 ALA C C 179.145 . 1 570 . 69 GLU N N 115.906 . 1 571 . 69 GLU H H 8.439 . 1 572 . 69 GLU CA C 59.116 . 1 573 . 69 GLU HA H 3.831 . 1 574 . 69 GLU CB C 29.764 . 1 575 . 69 GLU HB2 H 1.951 . 2 576 . 69 GLU CG C 36.406 . 1 577 . 69 GLU HG3 H 2.261 . 2 578 . 69 GLU HG2 H 2.432 . 2 579 . 69 GLU C C 177.647 . 1 580 . 70 ALA N N 117.195 . 1 581 . 70 ALA H H 7.844 . 1 582 . 70 ALA CA C 54.211 . 1 583 . 70 ALA HA H 4.165 . 1 584 . 70 ALA CB C 19.488 . 1 585 . 70 ALA HB H 1.433 . 1 586 . 70 ALA C C 179.976 . 1 587 . 71 LYS N N 112.076 . 1 588 . 71 LYS H H 7.964 . 1 589 . 71 LYS CA C 54.842 . 1 590 . 71 LYS HA H 4.136 . 1 591 . 71 LYS CB C 31.089 . 1 592 . 71 LYS HB3 H 0.507 . 2 593 . 71 LYS HB2 H 0.892 . 2 594 . 71 LYS CG C 24.530 . 1 595 . 71 LYS HG2 H 1.167 . 2 596 . 71 LYS CD C 27.698 . 1 597 . 71 LYS HD2 H 1.472 . 2 598 . 71 LYS CE C 42.379 . 1 599 . 71 LYS HE2 H 2.999 . 2 600 . 71 LYS C C 176.547 . 1 601 . 72 HIS N N 116.108 . 1 602 . 72 HIS H H 7.662 . 1 603 . 72 HIS CA C 51.102 . 1 604 . 72 HIS HA H 5.399 . 1 605 . 72 HIS CB C 28.588 . 1 606 . 72 HIS HB3 H 2.890 . 2 607 . 72 HIS HB2 H 3.440 . 2 608 . 72 HIS HD2 H 6.778 . 3 609 . 73 PRO CA C 65.091 . 1 610 . 73 PRO HA H 4.336 . 1 611 . 73 PRO CB C 31.788 . 1 612 . 73 PRO HB3 H 1.950 . 2 613 . 73 PRO HB2 H 2.511 . 2 614 . 73 PRO CG C 27.661 . 1 615 . 73 PRO HG3 H 1.998 . 2 616 . 73 PRO HG2 H 1.844 . 2 617 . 73 PRO CD C 50.218 . 1 618 . 73 PRO HD3 H 3.501 . 2 619 . 73 PRO HD2 H 3.068 . 2 620 . 73 PRO C C 178.294 . 1 621 . 74 LYS N N 115.993 . 1 622 . 74 LYS H H 8.474 . 1 623 . 74 LYS CA C 56.013 . 1 624 . 74 LYS HA H 4.317 . 1 625 . 74 LYS CB C 31.524 . 1 626 . 74 LYS HB3 H 1.797 . 2 627 . 74 LYS HB2 H 1.990 . 2 628 . 74 LYS CG C 25.322 . 1 629 . 74 LYS HG2 H 1.413 . 2 630 . 74 LYS CD C 28.648 . 1 631 . 74 LYS HD2 H 1.649 . 2 632 . 74 LYS CE C 42.322 . 1 633 . 74 LYS HE2 H 2.982 . 2 634 . 74 LYS C C 176.360 . 1 635 . 75 ALA N N 123.927 . 1 636 . 75 ALA H H 7.977 . 1 637 . 75 ALA CA C 50.772 . 1 638 . 75 ALA HA H 4.442 . 1 639 . 75 ALA CB C 20.327 . 1 640 . 75 ALA HB H 1.247 . 1 641 . 75 ALA C C 177.268 . 1 642 . 76 ASP N N 122.567 . 1 643 . 76 ASP H H 8.572 . 1 644 . 76 ASP CA C 53.951 . 1 645 . 76 ASP HA H 4.658 . 1 646 . 76 ASP CB C 41.897 . 1 647 . 76 ASP HB2 H 2.648 . 2 648 . 76 ASP C C 178.477 . 1 649 . 77 VAL N N 128.003 . 1 650 . 77 VAL H H 8.955 . 1 651 . 77 VAL CA C 67.170 . 1 652 . 77 VAL HA H 3.769 . 1 653 . 77 VAL CB C 31.377 . 1 654 . 77 VAL HB H 2.190 . 1 655 . 77 VAL HG2 H 0.989 . 2 656 . 77 VAL HG1 H 1.154 . 2 657 . 77 VAL C C 177.689 . 1 658 . 78 VAL N N 116.574 . 1 659 . 78 VAL H H 8.067 . 1 660 . 78 VAL CA C 63.655 . 1 661 . 78 VAL HA H 3.901 . 1 662 . 78 VAL CB C 31.201 . 1 663 . 78 VAL HB H 2.111 . 1 664 . 78 VAL CG2 C 21.435 . 1 665 . 78 VAL HG2 H 0.900 . 2 666 . 78 VAL CG1 C 23.243 . 1 667 . 78 VAL C C 177.053 . 1 668 . 79 ALA N N 122.124 . 1 669 . 79 ALA H H 7.379 . 1 670 . 79 ALA CA C 53.960 . 1 671 . 79 ALA HA H 4.144 . 1 672 . 79 ALA CB C 18.279 . 1 673 . 79 ALA HB H 1.507 . 1 674 . 79 ALA C C 179.453 . 1 675 . 80 CYS N N 114.130 . 1 676 . 80 CYS H H 7.124 . 1 677 . 80 CYS CA C 61.828 . 1 678 . 80 CYS HA H 3.921 . 1 679 . 80 CYS CB C 28.393 . 1 680 . 80 CYS HB3 H 3.052 . 2 681 . 80 CYS HB2 H 3.284 . 2 682 . 80 CYS C C 174.255 . 1 683 . 81 PHE N N 113.197 . 1 684 . 81 PHE H H 8.191 . 1 685 . 81 PHE CA C 54.758 . 1 686 . 81 PHE HA H 5.310 . 1 687 . 81 PHE CB C 40.200 . 1 688 . 81 PHE HB3 H 3.199 . 2 689 . 81 PHE HB2 H 2.737 . 2 690 . 82 PRO CA C 64.596 . 1 691 . 82 PRO HA H 4.612 . 1 692 . 82 PRO CB C 31.854 . 1 693 . 82 PRO HB3 H 2.053 . 2 694 . 82 PRO HB2 H 2.473 . 2 695 . 82 PRO CG C 27.317 . 1 696 . 82 PRO HG3 H 2.124 . 2 697 . 82 PRO HG2 H 2.085 . 2 698 . 82 PRO CD C 50.496 . 1 699 . 82 PRO HD3 H 4.066 . 2 700 . 82 PRO HD2 H 3.416 . 2 701 . 82 PRO C C 178.385 . 1 702 . 83 HIS N N 115.620 . 1 703 . 83 HIS H H 8.343 . 1 704 . 83 HIS CA C 58.229 . 1 705 . 83 HIS HA H 4.605 . 1 706 . 83 HIS CB C 29.314 . 1 707 . 83 HIS HB3 H 3.014 . 2 708 . 83 HIS HB2 H 3.368 . 2 709 . 83 HIS HD2 H 6.920 . 3 710 . 83 HIS C C 175.982 . 1 711 . 84 LEU N N 120.324 . 1 712 . 84 LEU H H 7.713 . 1 713 . 84 LEU CA C 54.612 . 1 714 . 84 LEU HA H 3.988 . 1 715 . 84 LEU CB C 41.035 . 1 716 . 84 LEU HB3 H 1.391 . 2 717 . 84 LEU HB2 H 1.658 . 2 718 . 84 LEU CG C 26.013 . 1 719 . 84 LEU HG H 0.593 . 1 720 . 84 LEU CD1 C 20.824 . 1 721 . 84 LEU HD1 H 0.779 . 2 722 . 84 LEU CD2 C 22.439 . 1 723 . 84 LEU HD2 H 0.473 . 2 724 . 84 LEU C C 176.603 . 1 725 . 85 LYS N N 120.836 . 1 726 . 85 LYS H H 7.511 . 1 727 . 85 LYS CA C 57.288 . 1 728 . 85 LYS HA H 4.089 . 1 729 . 85 LYS CB C 33.018 . 1 730 . 85 LYS HB3 H 1.732 . 2 731 . 85 LYS HB2 H 1.910 . 2 732 . 85 LYS CG C 24.824 . 1 733 . 85 LYS HG2 H 1.471 . 2 734 . 85 LYS CD C 29.231 . 1 735 . 85 LYS CE C 42.279 . 1 736 . 85 LYS HE2 H 2.992 . 2 737 . 85 LYS C C 175.199 . 1 738 . 86 LYS N N 130.362 . 1 739 . 86 LYS H H 8.018 . 1 stop_ save_