data_26042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structures of BRD4 ET domain with LANA peptide ; _BMRB_accession_number 26042 _BMRB_flat_file_name bmr26042.str _Entry_type original _Submission_date 2016-04-18 _Accession_date 2016-05-10 _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 Zeng Lei . . 2 ZHOU MING-MING . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 350 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-12 update BMRB 'update entry citation' 2016-06-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26041 'Solution NMR structures of BRD4 ET domain in complex with NSD3_1 peptide' 26043 'Solution NMR structures of BRD4 ET domain in complex with NSD3_3 peptide' stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27291650 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Qiang . . 2 Zeng Lei . . 3 Shen Chen . . 4 Ju Ying . . 5 Konuma Tsuyoshi . . 6 Zhao Chengcheng . . 7 Vakoc Christopher R. . 8 ZHOU MING-MING . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1201 _Page_last 1208 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BRD4 ET with LANA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9745.218 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; SEEEDKCKPMSYEEKRQLSL DINKLPGEKLGRVVHIIQSR EPSLKNSNPDEIEIDFETLK PSTLRELERYVTSCLRKKRK PQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 GLU 3 3 GLU 4 4 GLU 5 5 ASP 6 6 LYS 7 7 CYS 8 8 LYS 9 9 PRO 10 10 MET 11 11 SER 12 12 TYR 13 13 GLU 14 14 GLU 15 15 LYS 16 16 ARG 17 17 GLN 18 18 LEU 19 19 SER 20 20 LEU 21 21 ASP 22 22 ILE 23 23 ASN 24 24 LYS 25 25 LEU 26 26 PRO 27 27 GLY 28 28 GLU 29 29 LYS 30 30 LEU 31 31 GLY 32 32 ARG 33 33 VAL 34 34 VAL 35 35 HIS 36 36 ILE 37 37 ILE 38 38 GLN 39 39 SER 40 40 ARG 41 41 GLU 42 42 PRO 43 43 SER 44 44 LEU 45 45 LYS 46 46 ASN 47 47 SER 48 48 ASN 49 49 PRO 50 50 ASP 51 51 GLU 52 52 ILE 53 53 GLU 54 54 ILE 55 55 ASP 56 56 PHE 57 57 GLU 58 58 THR 59 59 LEU 60 60 LYS 61 61 PRO 62 62 SER 63 63 THR 64 64 LEU 65 65 ARG 66 66 GLU 67 67 LEU 68 68 GLU 69 69 ARG 70 70 TYR 71 71 VAL 72 72 THR 73 73 SER 74 74 CYS 75 75 LEU 76 76 ARG 77 77 LYS 78 78 LYS 79 79 ARG 80 80 LYS 81 81 PRO 82 82 GLN 83 83 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 2098.530 _Mol_thiol_state 'all free' _Details . _Residue_count 19 _Mol_residue_sequence ; NLQSSIVKFKKPLPLTQPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 199 ASN 2 200 LEU 3 201 GLN 4 202 SER 5 203 SER 6 204 ILE 7 205 VAL 8 206 LYS 9 207 PHE 10 208 LYS 11 209 LYS 12 210 PRO 13 211 LEU 14 212 PRO 15 213 LEU 16 214 THR 17 215 GLN 18 216 PRO 19 217 GLY 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . . . . pET32A $entity_2 'chemical synthesis' . . . . . 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 $entity_1 . mM 'natural abundance' $entity_2 . mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM '[U-100% 2H]' D2O 100 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM 'natural abundance' $entity_2 . mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift calculation' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_filtered_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filtered 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_filtered_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filtered 1H-13C NOESY aromatic' _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 pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . 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 water C 13 protons ppm 4.77 na indirect . . . 0.251449530 water H 1 protons ppm 4.77 internal direct . . . 1 water N 15 protons ppm 4.77 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_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 1 1 SER HA H 4.5500 0.04 1 2 1 1 SER HB2 H 3.8900 0.04 2 3 1 1 SER HB3 H 3.9600 0.04 2 4 1 1 SER CA C 58.9000 0.4 1 5 1 1 SER CB C 63.8600 0.4 1 6 2 2 GLU H H 8.5500 0.04 1 7 2 2 GLU HA H 4.2890 0.04 1 8 2 2 GLU HB2 H 1.9600 0.04 2 9 2 2 GLU HB3 H 2.0400 0.04 2 10 2 2 GLU HG3 H 2.2800 0.04 2 11 2 2 GLU CA C 57.7600 0.4 1 12 2 2 GLU CB C 30.0000 0.4 1 13 2 2 GLU CG C 36.4300 0.4 1 14 2 2 GLU N N 122.0560 0.4 1 15 3 3 GLU H H 8.2560 0.04 1 16 3 3 GLU HA H 4.2570 0.04 1 17 3 3 GLU HB2 H 1.9760 0.04 2 18 3 3 GLU HB3 H 2.0600 0.04 2 19 3 3 GLU HG3 H 2.2700 0.04 2 20 3 3 GLU CA C 57.5000 0.4 1 21 3 3 GLU CB C 30.1600 0.4 1 22 3 3 GLU CG C 36.4300 0.4 1 23 3 3 GLU N N 119.8600 0.4 1 24 4 4 GLU H H 8.3150 0.04 1 25 4 4 GLU HA H 4.2600 0.04 1 26 4 4 GLU HB3 H 1.9830 0.04 2 27 4 4 GLU HG3 H 2.2620 0.04 2 28 4 4 GLU CA C 57.5700 0.4 1 29 4 4 GLU CB C 30.3000 0.4 1 30 4 4 GLU CG C 36.4400 0.4 1 31 4 4 GLU N N 120.4600 0.4 1 32 5 5 ASP H H 8.3740 0.04 1 33 5 5 ASP HA H 4.5000 0.04 1 34 5 5 ASP HB2 H 2.6770 0.04 2 35 5 5 ASP HB3 H 2.7400 0.04 2 36 5 5 ASP CA C 55.4300 0.4 1 37 5 5 ASP CB C 41.1000 0.4 1 38 5 5 ASP N N 119.5000 0.4 1 39 6 6 LYS H H 8.0000 0.04 1 40 6 6 LYS HA H 4.2670 0.04 1 41 6 6 LYS HB2 H 1.8100 0.04 2 42 6 6 LYS HB3 H 1.9400 0.04 2 43 6 6 LYS HG3 H 1.5000 0.04 2 44 6 6 LYS HD3 H 1.6870 0.04 2 45 6 6 LYS CA C 56.9600 0.4 1 46 6 6 LYS CB C 32.8000 0.4 1 47 6 6 LYS CG C 25.1750 0.4 1 48 6 6 LYS CD C 29.2000 0.4 1 49 6 6 LYS N N 119.5600 0.4 1 50 7 7 CYS H H 8.0300 0.04 1 51 7 7 CYS HA H 4.3530 0.04 1 52 7 7 CYS HB2 H 2.8000 0.04 2 53 7 7 CYS HB3 H 2.8400 0.04 2 54 7 7 CYS CA C 58.4040 0.4 1 55 7 7 CYS CB C 28.1300 0.4 1 56 7 7 CYS N N 117.6800 0.4 1 57 8 8 LYS H H 8.4030 0.04 1 58 8 8 LYS HA H 4.5620 0.04 1 59 8 8 LYS HB3 H 1.7900 0.04 2 60 8 8 LYS HG3 H 1.5390 0.04 2 61 8 8 LYS HD3 H 1.6890 0.04 2 62 8 8 LYS HE3 H 3.0090 0.04 2 63 8 8 LYS CA C 54.4000 0.4 1 64 8 8 LYS CB C 32.8700 0.4 1 65 8 8 LYS CG C 24.7020 0.4 1 66 8 8 LYS CD C 29.2000 0.4 1 67 8 8 LYS N N 125.1700 0.4 1 68 9 9 PRO HA H 4.3280 0.04 1 69 9 9 PRO HB2 H 1.8450 0.04 2 70 9 9 PRO HB3 H 2.3650 0.04 2 71 9 9 PRO HG2 H 1.9820 0.04 2 72 9 9 PRO HG3 H 2.0800 0.04 2 73 9 9 PRO HD2 H 3.6520 0.04 2 74 9 9 PRO HD3 H 4.0260 0.04 2 75 9 9 PRO CA C 63.4500 0.4 1 76 9 9 PRO CB C 32.6000 0.4 1 77 9 9 PRO CG C 27.6200 0.4 1 78 9 9 PRO CD C 51.3020 0.4 1 79 10 10 MET H H 8.5950 0.04 1 80 10 10 MET HA H 4.6030 0.04 1 81 10 10 MET HB2 H 2.2700 0.04 2 82 10 10 MET HB3 H 2.5980 0.04 2 83 10 10 MET HG2 H 1.7170 0.04 2 84 10 10 MET HG3 H 2.1050 0.04 2 85 10 10 MET HE H 1.8140 0.04 1 86 10 10 MET CA C 56.5800 0.4 1 87 10 10 MET CB C 34.7800 0.4 1 88 10 10 MET CG C 35.9140 0.4 1 89 10 10 MET CE C 19.1060 0.4 1 90 10 10 MET N N 121.5640 0.4 1 91 11 11 SER H H 9.1850 0.04 1 92 11 11 SER HA H 4.5240 0.04 1 93 11 11 SER HB2 H 4.0810 0.04 2 94 11 11 SER HB3 H 4.4800 0.04 2 95 11 11 SER CA C 57.0600 0.4 1 96 11 11 SER CB C 65.8960 0.4 1 97 11 11 SER N N 119.1050 0.4 1 98 12 12 TYR H H 9.0900 0.04 1 99 12 12 TYR HA H 4.1200 0.04 1 100 12 12 TYR HB2 H 2.9780 0.04 2 101 12 12 TYR HB3 H 3.2670 0.04 2 102 12 12 TYR HD1 H 7.1400 0.04 3 103 12 12 TYR HE1 H 6.8080 0.04 3 104 12 12 TYR CA C 62.7030 0.4 1 105 12 12 TYR CB C 38.2160 0.4 1 106 12 12 TYR CD1 C 133.5780 0.4 3 107 12 12 TYR CE1 C 118.3130 0.4 3 108 12 12 TYR N N 121.0950 0.4 1 109 13 13 GLU H H 8.9500 0.04 1 110 13 13 GLU HA H 3.8200 0.04 1 111 13 13 GLU HB2 H 1.9480 0.04 2 112 13 13 GLU HB3 H 2.0820 0.04 2 113 13 13 GLU HG2 H 2.3120 0.04 2 114 13 13 GLU HG3 H 2.5160 0.04 2 115 13 13 GLU CA C 60.3200 0.4 1 116 13 13 GLU CB C 29.0600 0.4 1 117 13 13 GLU CG C 36.7800 0.4 1 118 13 13 GLU N N 118.5250 0.4 1 119 14 14 GLU H H 7.8460 0.04 1 120 14 14 GLU HA H 3.9680 0.04 1 121 14 14 GLU HB2 H 1.9920 0.04 2 122 14 14 GLU HB3 H 2.2650 0.04 2 123 14 14 GLU HG2 H 2.2200 0.04 2 124 14 14 GLU HG3 H 2.4400 0.04 2 125 14 14 GLU CA C 59.6130 0.4 1 126 14 14 GLU CB C 30.6000 0.4 1 127 14 14 GLU CG C 38.2270 0.4 1 128 14 14 GLU N N 120.0040 0.4 1 129 15 15 LYS H H 8.2010 0.04 1 130 15 15 LYS HA H 3.7850 0.04 1 131 15 15 LYS HB2 H 1.7090 0.04 2 132 15 15 LYS HB3 H 1.8910 0.04 2 133 15 15 LYS HG2 H 1.2290 0.04 2 134 15 15 LYS HG3 H 1.5300 0.04 2 135 15 15 LYS HD2 H 1.5610 0.04 2 136 15 15 LYS HD3 H 1.7250 0.04 2 137 15 15 LYS HE2 H 2.7470 0.04 2 138 15 15 LYS HE3 H 2.8110 0.04 2 139 15 15 LYS CA C 60.4200 0.4 1 140 15 15 LYS CB C 32.8390 0.4 1 141 15 15 LYS CG C 27.8600 0.4 1 142 15 15 LYS CD C 29.8480 0.4 1 143 15 15 LYS CE C 41.8730 0.4 1 144 15 15 LYS N N 120.3870 0.4 1 145 16 16 ARG H H 8.1620 0.04 1 146 16 16 ARG HA H 3.7570 0.04 1 147 16 16 ARG HB2 H 1.4300 0.04 2 148 16 16 ARG HB3 H 1.7260 0.04 2 149 16 16 ARG HG2 H 1.3510 0.04 2 150 16 16 ARG HG3 H 1.4770 0.04 2 151 16 16 ARG HD2 H 3.0200 0.04 2 152 16 16 ARG HD3 H 3.1420 0.04 2 153 16 16 ARG CA C 59.0140 0.4 1 154 16 16 ARG CB C 29.7600 0.4 1 155 16 16 ARG CG C 26.9180 0.4 1 156 16 16 ARG CD C 43.2530 0.4 1 157 16 16 ARG N N 119.9400 0.4 1 158 17 17 GLN H H 8.0550 0.04 1 159 17 17 GLN HA H 3.7580 0.04 1 160 17 17 GLN HB2 H 2.0360 0.04 2 161 17 17 GLN HB3 H 2.1120 0.04 2 162 17 17 GLN HG3 H 2.3720 0.04 2 163 17 17 GLN HE21 H 7.8990 0.04 2 164 17 17 GLN HE22 H 6.7950 0.04 2 165 17 17 GLN CA C 58.6830 0.4 1 166 17 17 GLN CB C 28.5900 0.4 1 167 17 17 GLN CG C 33.5470 0.4 1 168 17 17 GLN N N 118.4550 0.4 1 169 17 17 GLN NE2 N 116.0850 0.4 1 170 18 18 LEU H H 7.9270 0.04 1 171 18 18 LEU HA H 4.2600 0.04 1 172 18 18 LEU HB2 H 1.5050 0.04 2 173 18 18 LEU HB3 H 1.9170 0.04 2 174 18 18 LEU HG H 1.5230 0.04 1 175 18 18 LEU HD1 H 0.7640 0.04 2 176 18 18 LEU HD2 H 0.9430 0.04 2 177 18 18 LEU CA C 58.0870 0.4 1 178 18 18 LEU CB C 41.3580 0.4 1 179 18 18 LEU CG C 27.0000 0.4 1 180 18 18 LEU CD1 C 27.1550 0.4 1 181 18 18 LEU CD2 C 23.3670 0.4 1 182 18 18 LEU N N 119.4900 0.4 1 183 19 19 SER H H 7.7980 0.04 1 184 19 19 SER HA H 3.8040 0.04 1 185 19 19 SER HB3 H 3.6200 0.04 2 186 19 19 SER CA C 61.7200 0.4 1 187 19 19 SER CB C 62.9330 0.4 1 188 19 19 SER N N 112.0410 0.4 1 189 20 20 LEU H H 7.6890 0.04 1 190 20 20 LEU HA H 4.0380 0.04 1 191 20 20 LEU HB2 H 1.4240 0.04 2 192 20 20 LEU HB3 H 1.9160 0.04 2 193 20 20 LEU HG H 1.7400 0.04 1 194 20 20 LEU HD1 H 0.8300 0.04 2 195 20 20 LEU HD2 H 0.8180 0.04 2 196 20 20 LEU CA C 58.0480 0.4 1 197 20 20 LEU CB C 41.8590 0.4 1 198 20 20 LEU CG C 26.6820 0.4 1 199 20 20 LEU CD1 C 25.2610 0.4 1 200 20 20 LEU CD2 C 23.1610 0.4 1 201 20 20 LEU N N 120.7100 0.4 1 202 21 21 ASP H H 8.5640 0.04 1 203 21 21 ASP HA H 4.3130 0.04 1 204 21 21 ASP HB2 H 2.3900 0.04 2 205 21 21 ASP HB3 H 2.8020 0.04 2 206 21 21 ASP CA C 57.9120 0.4 1 207 21 21 ASP CB C 40.4000 0.4 1 208 21 21 ASP N N 120.9740 0.4 1 209 22 22 ILE H H 8.6360 0.04 1 210 22 22 ILE HA H 3.6450 0.04 1 211 22 22 ILE HB H 2.0380 0.04 1 212 22 22 ILE HG12 H 1.0820 0.04 1 213 22 22 ILE HG13 H 2.0050 0.04 1 214 22 22 ILE HG2 H 0.9160 0.04 1 215 22 22 ILE HD1 H 0.9550 0.04 1 216 22 22 ILE CA C 65.6150 0.4 1 217 22 22 ILE CB C 37.8080 0.4 1 218 22 22 ILE CG1 C 31.6500 0.4 1 219 22 22 ILE CG2 C 17.5930 0.4 1 220 22 22 ILE CD1 C 14.3900 0.4 1 221 22 22 ILE N N 120.0660 0.4 1 222 23 23 ASN H H 7.4300 0.04 1 223 23 23 ASN HA H 4.6070 0.04 1 224 23 23 ASN HB3 H 2.9010 0.04 2 225 23 23 ASN HD21 H 7.5540 0.04 2 226 23 23 ASN HD22 H 6.9350 0.04 2 227 23 23 ASN CA C 55.3570 0.4 1 228 23 23 ASN CB C 38.9000 0.4 1 229 23 23 ASN N N 115.1210 0.4 1 230 23 23 ASN ND2 N 111.2700 0.4 1 231 24 24 LYS H H 7.5970 0.04 1 232 24 24 LYS HA H 4.3580 0.04 1 233 24 24 LYS HB3 H 2.0280 0.04 2 234 24 24 LYS HG2 H 1.4900 0.04 2 235 24 24 LYS HG3 H 1.7410 0.04 2 236 24 24 LYS HD2 H 1.6750 0.04 2 237 24 24 LYS HD3 H 1.7540 0.04 2 238 24 24 LYS HE2 H 2.9130 0.04 2 239 24 24 LYS HE3 H 2.9840 0.04 2 240 24 24 LYS CA C 56.5190 0.4 1 241 24 24 LYS CB C 33.7230 0.4 1 242 24 24 LYS CG C 25.2690 0.4 1 243 24 24 LYS CD C 29.7000 0.4 1 244 24 24 LYS CE C 42.0690 0.4 1 245 24 24 LYS N N 117.4270 0.4 1 246 25 25 LEU H H 7.5570 0.04 1 247 25 25 LEU HA H 4.3440 0.04 1 248 25 25 LEU HB2 H 1.3530 0.04 2 249 25 25 LEU HB3 H 2.0260 0.04 2 250 25 25 LEU HG H 2.1500 0.04 1 251 25 25 LEU HD1 H 1.0270 0.04 2 252 25 25 LEU HD2 H 0.8440 0.04 2 253 25 25 LEU CA C 53.6440 0.4 1 254 25 25 LEU CB C 41.5920 0.4 1 255 25 25 LEU CG C 26.4230 0.4 1 256 25 25 LEU CD1 C 26.8670 0.4 1 257 25 25 LEU CD2 C 23.6360 0.4 1 258 25 25 LEU N N 120.3430 0.4 1 259 26 26 PRO HA H 4.6300 0.04 1 260 26 26 PRO HB2 H 2.0750 0.04 2 261 26 26 PRO HB3 H 2.5010 0.04 2 262 26 26 PRO HG2 H 2.0490 0.04 2 263 26 26 PRO HG3 H 2.1900 0.04 2 264 26 26 PRO HD2 H 3.4100 0.04 2 265 26 26 PRO HD3 H 3.9500 0.04 2 266 26 26 PRO CA C 62.4000 0.4 1 267 26 26 PRO CB C 32.8300 0.4 1 268 26 26 PRO CG C 28.0380 0.4 1 269 26 26 PRO CD C 50.5560 0.4 1 270 27 27 GLY H H 8.9800 0.04 1 271 27 27 GLY HA2 H 3.8130 0.04 2 272 27 27 GLY HA3 H 4.1100 0.04 2 273 27 27 GLY CA C 48.0900 0.4 1 274 27 27 GLY N N 109.5120 0.4 1 275 28 28 GLU H H 9.4620 0.04 1 276 28 28 GLU HA H 4.3260 0.04 1 277 28 28 GLU HB2 H 2.1100 0.04 2 278 28 28 GLU HB3 H 2.1600 0.04 2 279 28 28 GLU HG2 H 2.3100 0.04 2 280 28 28 GLU HG3 H 2.3670 0.04 2 281 28 28 GLU CA C 59.2000 0.4 1 282 28 28 GLU CB C 28.9500 0.4 1 283 28 28 GLU CG C 36.3060 0.4 1 284 28 28 GLU N N 119.3650 0.4 1 285 29 29 LYS H H 7.8560 0.04 1 286 29 29 LYS HA H 4.6450 0.04 1 287 29 29 LYS HB2 H 2.0000 0.04 2 288 29 29 LYS HB3 H 2.4210 0.04 2 289 29 29 LYS HG2 H 1.5200 0.04 2 290 29 29 LYS HG3 H 1.5900 0.04 2 291 29 29 LYS HD3 H 1.7600 0.04 2 292 29 29 LYS HE2 H 3.0150 0.04 2 293 29 29 LYS HE3 H 3.0810 0.04 2 294 29 29 LYS CA C 56.0000 0.4 1 295 29 29 LYS CB C 33.0700 0.4 1 296 29 29 LYS CG C 25.7350 0.4 1 297 29 29 LYS CD C 28.2500 0.4 1 298 29 29 LYS CE C 42.5400 0.4 1 299 29 29 LYS N N 116.4700 0.4 1 300 30 30 LEU H H 7.9630 0.04 1 301 30 30 LEU HA H 4.1380 0.04 1 302 30 30 LEU HB2 H 1.5200 0.04 2 303 30 30 LEU HB3 H 1.7650 0.04 2 304 30 30 LEU HG H 1.7000 0.04 1 305 30 30 LEU HD1 H 0.9440 0.04 2 306 30 30 LEU HD2 H 0.8860 0.04 2 307 30 30 LEU CA C 57.9700 0.4 1 308 30 30 LEU CB C 42.0700 0.4 1 309 30 30 LEU CG C 27.2540 0.4 1 310 30 30 LEU CD1 C 24.8600 0.4 1 311 30 30 LEU CD2 C 24.0660 0.4 1 312 30 30 LEU N N 121.7300 0.4 1 313 31 31 GLY H H 8.3200 0.04 1 314 31 31 GLY HA2 H 3.6600 0.04 2 315 31 31 GLY HA3 H 3.9230 0.04 2 316 31 31 GLY CA C 47.4200 0.4 1 317 31 31 GLY N N 127.7300 0.4 1 318 32 32 ARG H H 7.5340 0.04 1 319 32 32 ARG HA H 4.0700 0.04 1 320 32 32 ARG HB2 H 1.5950 0.04 2 321 32 32 ARG HB3 H 1.7950 0.04 2 322 32 32 ARG HG2 H 1.2420 0.04 2 323 32 32 ARG HG3 H 1.3330 0.04 2 324 32 32 ARG HD2 H 2.9910 0.04 2 325 32 32 ARG HD3 H 3.0900 0.04 2 326 32 32 ARG CA C 57.6500 0.4 1 327 32 32 ARG CB C 29.2800 0.4 1 328 32 32 ARG CG C 26.6800 0.4 1 329 32 32 ARG CD C 42.5430 0.4 1 330 32 32 ARG N N 120.2010 0.4 1 331 33 33 VAL H H 7.5100 0.04 1 332 33 33 VAL HA H 3.3270 0.04 1 333 33 33 VAL HB H 2.6170 0.04 1 334 33 33 VAL HG1 H 1.1620 0.04 2 335 33 33 VAL HG2 H 0.9310 0.04 2 336 33 33 VAL CA C 67.0500 0.4 1 337 33 33 VAL CB C 31.2300 0.4 1 338 33 33 VAL CG1 C 23.5570 0.4 1 339 33 33 VAL CG2 C 21.1010 0.4 1 340 33 33 VAL N N 119.2930 0.4 1 341 34 34 VAL H H 7.6330 0.04 1 342 34 34 VAL HA H 3.4650 0.04 1 343 34 34 VAL HB H 2.1470 0.04 1 344 34 34 VAL HG1 H 0.9970 0.04 2 345 34 34 VAL HG2 H 0.9320 0.04 2 346 34 34 VAL CA C 67.1000 0.4 1 347 34 34 VAL CB C 31.5900 0.4 1 348 34 34 VAL CG1 C 22.7400 0.4 1 349 34 34 VAL CG2 C 21.5710 0.4 1 350 34 34 VAL N N 116.6010 0.4 1 351 35 35 HIS H H 7.7410 0.04 1 352 35 35 HIS HA H 4.3000 0.04 1 353 35 35 HIS HB2 H 3.1700 0.04 2 354 35 35 HIS HB3 H 3.1440 0.04 2 355 35 35 HIS HD2 H 6.8480 0.04 1 356 35 35 HIS HE1 H 7.9100 0.04 1 357 35 35 HIS CA C 60.1100 0.4 1 358 35 35 HIS CB C 30.3200 0.4 1 359 35 35 HIS CD2 C 119.7900 0.4 1 360 35 35 HIS CE1 C 138.1600 0.4 1 361 35 35 HIS N N 118.5910 0.4 1 362 36 36 ILE H H 8.4640 0.04 1 363 36 36 ILE HA H 3.4140 0.04 1 364 36 36 ILE HB H 1.8870 0.04 1 365 36 36 ILE HG12 H 0.9500 0.04 1 366 36 36 ILE HG13 H 1.7510 0.04 1 367 36 36 ILE HG2 H 0.7250 0.04 1 368 36 36 ILE HD1 H 0.5320 0.04 1 369 36 36 ILE CA C 66.1600 0.4 1 370 36 36 ILE CB C 38.2900 0.4 1 371 36 36 ILE CG1 C 29.5300 0.4 1 372 36 36 ILE CG2 C 17.1060 0.4 1 373 36 36 ILE CD1 C 14.1700 0.4 1 374 36 36 ILE N N 121.4760 0.4 1 375 37 37 ILE H H 7.6910 0.04 1 376 37 37 ILE HA H 3.4040 0.04 1 377 37 37 ILE HB H 1.8710 0.04 1 378 37 37 ILE HG12 H 0.8280 0.04 1 379 37 37 ILE HG13 H 1.8960 0.04 1 380 37 37 ILE HG2 H 0.8310 0.04 1 381 37 37 ILE HD1 H 0.7730 0.04 1 382 37 37 ILE CA C 66.6300 0.4 1 383 37 37 ILE CB C 38.3000 0.4 1 384 37 37 ILE CG1 C 29.9900 0.4 1 385 37 37 ILE CG2 C 18.3060 0.4 1 386 37 37 ILE CD1 C 14.7200 0.4 1 387 37 37 ILE N N 117.5000 0.4 1 388 38 38 GLN H H 8.7300 0.04 1 389 38 38 GLN HA H 3.8710 0.04 1 390 38 38 GLN HB2 H 1.9400 0.04 2 391 38 38 GLN HB3 H 2.0700 0.04 2 392 38 38 GLN HG2 H 2.2000 0.04 2 393 38 38 GLN HG3 H 2.4780 0.04 2 394 38 38 GLN HE21 H 7.2610 0.04 2 395 38 38 GLN HE22 H 6.5500 0.04 2 396 38 38 GLN CA C 59.8500 0.4 1 397 38 38 GLN CB C 29.2000 0.4 1 398 38 38 GLN CG C 35.3760 0.4 1 399 38 38 GLN N N 115.5400 0.4 1 400 38 38 GLN NE2 N 110.7570 0.4 1 401 39 39 SER H H 7.9600 0.04 1 402 39 39 SER HA H 4.1390 0.04 1 403 39 39 SER HB2 H 3.6550 0.04 2 404 39 39 SER HB3 H 3.8140 0.04 1 405 39 39 SER CA C 60.6960 0.4 1 406 39 39 SER CB C 63.5350 0.4 1 407 39 39 SER N N 110.6860 0.4 1 408 40 40 ARG H H 7.4720 0.04 1 409 40 40 ARG HA H 4.3820 0.04 1 410 40 40 ARG HB2 H 1.8130 0.04 2 411 40 40 ARG HB3 H 2.0490 0.04 2 412 40 40 ARG HG2 H 1.6540 0.04 2 413 40 40 ARG HG3 H 1.8220 0.04 2 414 40 40 ARG HD3 H 3.0950 0.04 2 415 40 40 ARG CA C 56.2250 0.4 1 416 40 40 ARG CB C 33.1600 0.4 1 417 40 40 ARG CG C 27.8040 0.4 1 418 40 40 ARG CD C 42.3930 0.4 1 419 40 40 ARG N N 118.3250 0.4 1 420 41 41 GLU H H 7.7800 0.04 1 421 41 41 GLU HA H 4.8750 0.04 1 422 41 41 GLU HB2 H 1.9360 0.04 2 423 41 41 GLU HB3 H 2.0310 0.04 2 424 41 41 GLU HG3 H 2.2490 0.04 2 425 41 41 GLU CA C 53.2500 0.4 1 426 41 41 GLU CB C 29.0700 0.4 1 427 41 41 GLU CG C 35.6780 0.4 1 428 41 41 GLU N N 118.2790 0.4 1 429 42 42 PRO HA H 4.4200 0.04 1 430 42 42 PRO HB2 H 1.9910 0.04 2 431 42 42 PRO HB3 H 2.3610 0.04 2 432 42 42 PRO HG3 H 2.0150 0.04 2 433 42 42 PRO HD2 H 3.5950 0.04 2 434 42 42 PRO HD3 H 3.8400 0.04 2 435 42 42 PRO CA C 64.7300 0.4 1 436 42 42 PRO CB C 32.3030 0.4 1 437 42 42 PRO CG C 27.7770 0.4 1 438 42 42 PRO CD C 50.8800 0.4 1 439 43 43 SER H H 8.3740 0.04 1 440 43 43 SER HA H 4.4080 0.04 1 441 43 43 SER HB2 H 3.9100 0.04 2 442 43 43 SER HB3 H 3.9610 0.04 2 443 43 43 SER CA C 60.0350 0.4 1 444 43 43 SER CB C 63.2400 0.4 1 445 43 43 SER N N 112.0400 0.4 1 446 44 44 LEU H H 7.9680 0.04 1 447 44 44 LEU HA H 4.4600 0.04 1 448 44 44 LEU HB2 H 1.6400 0.04 2 449 44 44 LEU HB3 H 1.6860 0.04 2 450 44 44 LEU HG H 1.6760 0.04 1 451 44 44 LEU HD1 H 0.8510 0.04 2 452 44 44 LEU HD2 H 0.8420 0.04 2 453 44 44 LEU CA C 54.5600 0.4 1 454 44 44 LEU CB C 42.3600 0.4 1 455 44 44 LEU CG C 26.9180 0.4 1 456 44 44 LEU CD1 C 25.9710 0.4 1 457 44 44 LEU CD2 C 23.1310 0.4 1 458 44 44 LEU N N 121.6000 0.4 1 459 45 45 LYS H H 7.7700 0.04 1 460 45 45 LYS HA H 4.2000 0.04 1 461 45 45 LYS HB2 H 1.7950 0.04 2 462 45 45 LYS HB3 H 1.8370 0.04 2 463 45 45 LYS HG3 H 1.4330 0.04 2 464 45 45 LYS HD3 H 1.6600 0.04 2 465 45 45 LYS HE3 H 2.9700 0.04 2 466 45 45 LYS CA C 58.5000 0.4 1 467 45 45 LYS CB C 33.1700 0.4 1 468 45 45 LYS CG C 24.7800 0.4 1 469 45 45 LYS CD C 28.9600 0.4 1 470 45 45 LYS CE C 42.3000 0.4 1 471 45 45 LYS N N 121.4000 0.4 1 472 46 46 ASN H H 8.3800 0.04 1 473 46 46 ASN HA H 4.8510 0.04 1 474 46 46 ASN HB2 H 2.7450 0.04 2 475 46 46 ASN HB3 H 2.8750 0.04 2 476 46 46 ASN HD21 H 7.6020 0.04 2 477 46 46 ASN HD22 H 6.9460 0.04 2 478 46 46 ASN CA C 53.4000 0.4 1 479 46 46 ASN CB C 38.9400 0.4 1 480 46 46 ASN N N 116.1000 0.4 1 481 46 46 ASN ND2 N 112.5500 0.4 1 482 47 47 SER H H 7.8200 0.04 1 483 47 47 SER HA H 4.3900 0.04 1 484 47 47 SER HB2 H 3.7600 0.04 2 485 47 47 SER HB3 H 3.8500 0.04 2 486 47 47 SER CA C 59.1200 0.4 1 487 47 47 SER CB C 64.1300 0.4 1 488 47 47 SER N N 115.7660 0.4 1 489 48 48 ASN H H 8.6500 0.04 1 490 48 48 ASN HA H 4.9800 0.04 1 491 48 48 ASN HB2 H 2.7630 0.04 2 492 48 48 ASN HB3 H 3.0350 0.04 2 493 48 48 ASN HD21 H 7.7250 0.04 2 494 48 48 ASN HD22 H 7.1020 0.04 2 495 48 48 ASN CA C 51.4500 0.4 1 496 48 48 ASN CB C 39.2800 0.4 1 497 48 48 ASN N N 122.0620 0.4 1 498 48 48 ASN ND2 N 112.8100 0.4 1 499 49 49 PRO HA H 4.2900 0.04 1 500 49 49 PRO HB2 H 1.9870 0.04 2 501 49 49 PRO HB3 H 2.2320 0.04 2 502 49 49 PRO HG3 H 2.0200 0.04 2 503 49 49 PRO HD2 H 3.8170 0.04 2 504 49 49 PRO HD3 H 3.8560 0.04 2 505 49 49 PRO CA C 64.8000 0.4 1 506 49 49 PRO CB C 32.0500 0.4 1 507 49 49 PRO CG C 27.2600 0.4 1 508 49 49 PRO CD C 51.0650 0.4 1 509 50 50 ASP H H 8.1330 0.04 1 510 50 50 ASP HA H 4.6220 0.04 1 511 50 50 ASP HB2 H 2.6190 0.04 2 512 50 50 ASP HB3 H 2.7590 0.04 2 513 50 50 ASP CA C 55.1000 0.4 1 514 50 50 ASP CB C 41.6000 0.4 1 515 50 50 ASP N N 114.7570 0.4 1 516 51 51 GLU H H 7.7390 0.04 1 517 51 51 GLU HA H 4.4650 0.04 1 518 51 51 GLU HB2 H 1.8620 0.04 2 519 51 51 GLU HB3 H 2.0600 0.04 2 520 51 51 GLU HG2 H 2.1000 0.04 2 521 51 51 GLU HG3 H 2.1340 0.04 2 522 51 51 GLU CA C 55.7040 0.4 1 523 51 51 GLU CB C 30.0680 0.4 1 524 51 51 GLU CG C 36.3800 0.4 1 525 51 51 GLU N N 117.6300 0.4 1 526 52 52 ILE H H 7.6200 0.04 1 527 52 52 ILE HA H 4.0740 0.04 1 528 52 52 ILE HB H 1.7060 0.04 1 529 52 52 ILE HG12 H 1.0630 0.04 1 530 52 52 ILE HG13 H 1.4840 0.04 1 531 52 52 ILE HG2 H 0.7720 0.04 1 532 52 52 ILE HD1 H 0.7570 0.04 1 533 52 52 ILE CA C 61.7700 0.4 1 534 52 52 ILE CB C 39.9900 0.4 1 535 52 52 ILE CG1 C 27.8400 0.4 1 536 52 52 ILE CG2 C 17.2600 0.4 1 537 52 52 ILE CD1 C 13.8200 0.4 1 538 52 52 ILE N N 120.3250 0.4 1 539 53 53 GLU H H 8.3360 0.04 1 540 53 53 GLU HA H 4.4530 0.04 1 541 53 53 GLU HB2 H 1.8280 0.04 2 542 53 53 GLU HB3 H 1.8900 0.04 2 543 53 53 GLU HG2 H 2.0720 0.04 2 544 53 53 GLU HG3 H 2.1540 0.04 2 545 53 53 GLU CA C 55.0400 0.4 1 546 53 53 GLU CB C 30.8200 0.4 1 547 53 53 GLU CG C 36.3800 0.4 1 548 53 53 GLU N N 126.7470 0.4 1 549 54 54 ILE H H 8.5580 0.04 1 550 54 54 ILE HA H 3.6850 0.04 1 551 54 54 ILE HB H 1.5030 0.04 1 552 54 54 ILE HG12 H 0.7500 0.04 1 553 54 54 ILE HG13 H 1.3800 0.04 1 554 54 54 ILE HG2 H 0.4330 0.04 1 555 54 54 ILE HD1 H 0.6750 0.04 1 556 54 54 ILE CA C 61.8000 0.4 1 557 54 54 ILE CB C 38.3000 0.4 1 558 54 54 ILE CG1 C 27.5130 0.4 1 559 54 54 ILE CG2 C 18.0460 0.4 1 560 54 54 ILE CD1 C 13.3130 0.4 1 561 54 54 ILE N N 124.6400 0.4 1 562 55 55 ASP H H 8.5810 0.04 1 563 55 55 ASP HA H 4.9330 0.04 1 564 55 55 ASP HB2 H 2.4150 0.04 2 565 55 55 ASP HB3 H 2.9770 0.04 2 566 55 55 ASP CA C 52.4190 0.4 1 567 55 55 ASP CB C 41.2410 0.4 1 568 55 55 ASP N N 126.3830 0.4 1 569 56 56 PHE H H 8.7500 0.04 1 570 56 56 PHE HA H 4.1030 0.04 1 571 56 56 PHE HB2 H 3.0770 0.04 2 572 56 56 PHE HB3 H 3.2600 0.04 2 573 56 56 PHE HD1 H 7.1790 0.04 3 574 56 56 PHE HE1 H 7.1470 0.04 3 575 56 56 PHE HZ H 6.9470 0.04 1 576 56 56 PHE CA C 60.2600 0.4 1 577 56 56 PHE CB C 38.2200 0.4 1 578 56 56 PHE CD1 C 130.6000 0.4 3 579 56 56 PHE CE1 C 130.8900 0.4 3 580 56 56 PHE CZ C 128.6640 0.4 1 581 56 56 PHE N N 123.1360 0.4 1 582 57 57 GLU H H 8.4650 0.04 1 583 57 57 GLU HA H 4.2490 0.04 1 584 57 57 GLU HB2 H 2.1750 0.04 2 585 57 57 GLU HB3 H 2.2210 0.04 2 586 57 57 GLU HG2 H 2.3950 0.04 2 587 57 57 GLU HG3 H 2.4820 0.04 2 588 57 57 GLU CA C 57.5500 0.4 1 589 57 57 GLU CB C 29.6000 0.4 1 590 57 57 GLU CG C 36.4550 0.4 1 591 57 57 GLU N N 114.2100 0.4 1 592 58 58 THR H H 7.5130 0.04 1 593 58 58 THR HA H 4.5060 0.04 1 594 58 58 THR HB H 4.4460 0.04 1 595 58 58 THR HG2 H 1.1580 0.04 1 596 58 58 THR CA C 61.4500 0.4 1 597 58 58 THR CB C 69.8400 0.4 1 598 58 58 THR CG2 C 21.7820 0.4 1 599 58 58 THR N N 128.2290 0.4 1 600 59 59 LEU H H 6.7700 0.04 1 601 59 59 LEU HA H 4.4120 0.04 1 602 59 59 LEU HB2 H 1.3210 0.04 2 603 59 59 LEU HB3 H 1.6140 0.04 2 604 59 59 LEU HG H 1.9090 0.04 1 605 59 59 LEU HD1 H 0.6250 0.04 2 606 59 59 LEU HD2 H 0.7670 0.04 2 607 59 59 LEU CA C 54.3500 0.4 1 608 59 59 LEU CB C 43.5000 0.4 1 609 59 59 LEU CG C 26.4370 0.4 1 610 59 59 LEU CD1 C 26.1740 0.4 1 611 59 59 LEU CD2 C 23.6000 0.4 1 612 59 59 LEU N N 120.4550 0.4 1 613 60 60 LYS H H 10.0700 0.04 1 614 60 60 LYS HA H 4.4700 0.04 1 615 60 60 LYS HB2 H 1.8640 0.04 2 616 60 60 LYS HB3 H 2.0500 0.04 2 617 60 60 LYS HG2 H 1.6940 0.04 2 618 60 60 LYS HG3 H 2.0600 0.04 2 619 60 60 LYS HD2 H 1.7080 0.04 2 620 60 60 LYS HD3 H 1.8240 0.04 2 621 60 60 LYS HE3 H 3.0710 0.04 2 622 60 60 LYS CA C 55.8060 0.4 1 623 60 60 LYS CB C 32.1050 0.4 1 624 60 60 LYS CG C 25.6460 0.4 1 625 60 60 LYS CD C 29.5950 0.4 1 626 60 60 LYS CE C 42.3800 0.4 1 627 60 60 LYS N N 123.2660 0.4 1 628 61 61 PRO HA H 4.1930 0.04 1 629 61 61 PRO HB2 H 1.9760 0.04 2 630 61 61 PRO HB3 H 2.1540 0.04 2 631 61 61 PRO HG2 H 2.1150 0.04 2 632 61 61 PRO HG3 H 2.2920 0.04 2 633 61 61 PRO HD2 H 3.9100 0.04 2 634 61 61 PRO HD3 H 4.0200 0.04 2 635 61 61 PRO CA C 66.4200 0.4 1 636 61 61 PRO CB C 32.1100 0.4 1 637 61 61 PRO CG C 27.9690 0.4 1 638 61 61 PRO CD C 50.5600 0.4 1 639 62 62 SER H H 8.5820 0.04 1 640 62 62 SER HA H 4.3240 0.04 1 641 62 62 SER HB2 H 3.9500 0.04 2 642 62 62 SER HB3 H 4.0200 0.04 2 643 62 62 SER CA C 60.7200 0.4 1 644 62 62 SER CB C 61.9600 0.4 1 645 62 62 SER N N 109.6010 0.4 1 646 63 63 THR H H 7.4240 0.04 1 647 63 63 THR HA H 3.8070 0.04 1 648 63 63 THR HB H 4.5050 0.04 1 649 63 63 THR HG2 H 1.1790 0.04 1 650 63 63 THR CA C 65.9600 0.4 1 651 63 63 THR CB C 67.3500 0.4 1 652 63 63 THR CG2 C 24.5510 0.4 1 653 63 63 THR N N 122.1150 0.4 1 654 64 64 LEU H H 7.9430 0.04 1 655 64 64 LEU HA H 3.7830 0.04 1 656 64 64 LEU HB2 H 1.6690 0.04 2 657 64 64 LEU HB3 H 1.9930 0.04 2 658 64 64 LEU HG H 1.5700 0.04 1 659 64 64 LEU HD1 H 0.9200 0.04 2 660 64 64 LEU HD2 H 0.7610 0.04 2 661 64 64 LEU CA C 58.7200 0.4 1 662 64 64 LEU CB C 41.1220 0.4 1 663 64 64 LEU CG C 26.9640 0.4 1 664 64 64 LEU CD1 C 26.4220 0.4 1 665 64 64 LEU CD2 C 24.5510 0.4 1 666 64 64 LEU N N 120.3890 0.4 1 667 65 65 ARG H H 8.3700 0.04 1 668 65 65 ARG HA H 4.1820 0.04 1 669 65 65 ARG HB2 H 1.9700 0.04 2 670 65 65 ARG HB3 H 2.0720 0.04 2 671 65 65 ARG HG2 H 1.8000 0.04 2 672 65 65 ARG HG3 H 1.8430 0.04 2 673 65 65 ARG HD2 H 3.1390 0.04 2 674 65 65 ARG HD3 H 3.1730 0.04 2 675 65 65 ARG CA C 57.8500 0.4 1 676 65 65 ARG CB C 29.2400 0.4 1 677 65 65 ARG CG C 26.4620 0.4 1 678 65 65 ARG CD C 42.7800 0.4 1 679 65 65 ARG N N 115.3810 0.4 1 680 66 66 GLU H H 7.8910 0.04 1 681 66 66 GLU HA H 4.2170 0.04 1 682 66 66 GLU HB2 H 2.0650 0.04 2 683 66 66 GLU HB3 H 2.1490 0.04 2 684 66 66 GLU HG3 H 2.2860 0.04 2 685 66 66 GLU CA C 59.7450 0.4 1 686 66 66 GLU CB C 29.0200 0.4 1 687 66 66 GLU CG C 35.9200 0.4 1 688 66 66 GLU N N 122.2540 0.4 1 689 67 67 LEU H H 8.5010 0.04 1 690 67 67 LEU HA H 4.1380 0.04 1 691 67 67 LEU HB2 H 1.3890 0.04 2 692 67 67 LEU HB3 H 2.2430 0.04 2 693 67 67 LEU HG H 1.9460 0.04 1 694 67 67 LEU HD1 H 0.8380 0.04 2 695 67 67 LEU HD2 H 0.9740 0.04 2 696 67 67 LEU CA C 58.1860 0.4 1 697 67 67 LEU CB C 42.5200 0.4 1 698 67 67 LEU CG C 26.6800 0.4 1 699 67 67 LEU CD1 C 25.7300 0.4 1 700 67 67 LEU CD2 C 24.9800 0.4 1 701 67 67 LEU N N 119.5470 0.4 1 702 68 68 GLU H H 8.6470 0.04 1 703 68 68 GLU HA H 3.8240 0.04 1 704 68 68 GLU HB2 H 1.9420 0.04 2 705 68 68 GLU HB3 H 2.3980 0.04 2 706 68 68 GLU HG2 H 2.1070 0.04 2 707 68 68 GLU HG3 H 2.2650 0.04 2 708 68 68 GLU CA C 59.9820 0.4 1 709 68 68 GLU CB C 30.3900 0.4 1 710 68 68 GLU CG C 36.1800 0.4 1 711 68 68 GLU N N 119.9400 0.4 1 712 69 69 ARG H H 8.1300 0.04 1 713 69 69 ARG HA H 3.9970 0.04 1 714 69 69 ARG HB2 H 1.9590 0.04 2 715 69 69 ARG HB3 H 2.0590 0.04 2 716 69 69 ARG HG2 H 1.6200 0.04 2 717 69 69 ARG HG3 H 1.9150 0.04 2 718 69 69 ARG HD2 H 3.2500 0.04 2 719 69 69 ARG HD3 H 3.3080 0.04 2 720 69 69 ARG CA C 60.0600 0.4 1 721 69 69 ARG CB C 30.5800 0.4 1 722 69 69 ARG CG C 28.0380 0.4 1 723 69 69 ARG CD C 43.6380 0.4 1 724 69 69 ARG N N 119.7470 0.4 1 725 70 70 TYR H H 8.1740 0.04 1 726 70 70 TYR HA H 4.3210 0.04 1 727 70 70 TYR HB2 H 2.9680 0.04 2 728 70 70 TYR HB3 H 3.3560 0.04 2 729 70 70 TYR HD2 H 6.9380 0.04 3 730 70 70 TYR HE2 H 6.7400 0.04 3 731 70 70 TYR CA C 61.6100 0.4 1 732 70 70 TYR CB C 38.4560 0.4 1 733 70 70 TYR CD2 C 132.5200 0.4 3 734 70 70 TYR CE2 C 118.4400 0.4 3 735 70 70 TYR N N 120.1220 0.4 1 736 71 71 VAL H H 9.2630 0.04 1 737 71 71 VAL HA H 3.2240 0.04 1 738 71 71 VAL HB H 2.1440 0.04 1 739 71 71 VAL HG1 H 1.1600 0.04 2 740 71 71 VAL HG2 H 0.9300 0.04 2 741 71 71 VAL CA C 67.5500 0.4 1 742 71 71 VAL CB C 31.5200 0.4 1 743 71 71 VAL CG1 C 23.9640 0.4 1 744 71 71 VAL CG2 C 22.4200 0.4 1 745 71 71 VAL N N 120.3870 0.4 1 746 72 72 THR H H 8.4140 0.04 1 747 72 72 THR HA H 3.8080 0.04 1 748 72 72 THR HB H 4.2220 0.04 1 749 72 72 THR HG2 H 1.2090 0.04 1 750 72 72 THR CA C 67.0950 0.4 1 751 72 72 THR CB C 68.6250 0.4 1 752 72 72 THR CG2 C 21.8600 0.4 1 753 72 72 THR N N 114.7980 0.4 1 754 73 73 SER H H 7.6170 0.04 1 755 73 73 SER HA H 4.2350 0.04 1 756 73 73 SER HB3 H 4.0230 0.04 2 757 73 73 SER CA C 61.3050 0.4 1 758 73 73 SER CB C 62.9440 0.4 1 759 73 73 SER N N 116.0880 0.4 1 760 74 74 CYS H H 7.6340 0.04 1 761 74 74 CYS HA H 4.1590 0.04 1 762 74 74 CYS HB2 H 2.4420 0.04 2 763 74 74 CYS HB3 H 2.8630 0.04 2 764 74 74 CYS CA C 62.1200 0.4 1 765 74 74 CYS CB C 27.8400 0.4 1 766 74 74 CYS N N 118.0700 0.4 1 767 75 75 LEU H H 7.7740 0.04 1 768 75 75 LEU HA H 4.2640 0.04 1 769 75 75 LEU HB2 H 1.5270 0.04 2 770 75 75 LEU HB3 H 1.6770 0.04 2 771 75 75 LEU HG H 1.6750 0.04 1 772 75 75 LEU HD1 H 0.8200 0.04 2 773 75 75 LEU HD2 H 0.7710 0.04 2 774 75 75 LEU CA C 55.7000 0.4 1 775 75 75 LEU CB C 42.9000 0.4 1 776 75 75 LEU CG C 26.9180 0.4 1 777 75 75 LEU CD1 C 25.7350 0.4 1 778 75 75 LEU CD2 C 22.6400 0.4 1 779 75 75 LEU N N 118.0040 0.4 1 780 76 76 ARG H H 7.8380 0.04 1 781 76 76 ARG HA H 4.2260 0.04 1 782 76 76 ARG HB3 H 1.8600 0.04 2 783 76 76 ARG HG3 H 1.6500 0.04 2 784 76 76 ARG HD3 H 3.1700 0.04 2 785 76 76 ARG CA C 57.1500 0.4 1 786 76 76 ARG CB C 30.2700 0.4 1 787 76 76 ARG CG C 27.3660 0.4 1 788 76 76 ARG CD C 43.5240 0.4 1 789 76 76 ARG N N 118.7200 0.4 1 790 77 77 LYS H H 7.9760 0.04 1 791 77 77 LYS HA H 4.2500 0.04 1 792 77 77 LYS HB2 H 1.7450 0.04 2 793 77 77 LYS HB3 H 1.8260 0.04 2 794 77 77 LYS HG3 H 1.4400 0.04 2 795 77 77 LYS HD3 H 1.6980 0.04 2 796 77 77 LYS HE3 H 2.9680 0.04 2 797 77 77 LYS CA C 56.4800 0.4 1 798 77 77 LYS CB C 33.1900 0.4 1 799 77 77 LYS CG C 24.7880 0.4 1 800 77 77 LYS CD C 29.4300 0.4 1 801 77 77 LYS N N 120.4680 0.4 1 802 78 78 LYS H H 8.2070 0.04 1 803 78 78 LYS HA H 4.2600 0.04 1 804 78 78 LYS HB3 H 1.7600 0.04 2 805 78 78 LYS HG3 H 1.4670 0.04 2 806 78 78 LYS HD3 H 1.7010 0.04 2 807 78 78 LYS CA C 56.5500 0.4 1 808 78 78 LYS CB C 33.2100 0.4 1 809 78 78 LYS CG C 25.0250 0.4 1 810 78 78 LYS CD C 29.2860 0.4 1 811 78 78 LYS N N 121.8500 0.4 1 812 79 79 ARG H H 8.3800 0.04 1 813 79 79 ARG HA H 4.3000 0.04 1 814 79 79 ARG HB2 H 1.7420 0.04 2 815 79 79 ARG HB3 H 1.8200 0.04 2 816 79 79 ARG HG3 H 1.6270 0.04 2 817 79 79 ARG HD3 H 3.1730 0.04 2 818 79 79 ARG CA C 56.3100 0.4 1 819 79 79 ARG CB C 31.1100 0.4 1 820 79 79 ARG CG C 27.6300 0.4 1 821 79 79 ARG CD C 43.4000 0.4 1 822 79 79 ARG N N 122.4500 0.4 1 823 80 80 LYS H H 8.4240 0.04 1 824 80 80 LYS HA H 4.5820 0.04 1 825 80 80 LYS HB3 H 1.7420 0.04 2 826 80 80 LYS HG3 H 1.5800 0.04 2 827 80 80 LYS HE3 H 2.9950 0.04 2 828 80 80 LYS CA C 54.6400 0.4 1 829 80 80 LYS CB C 32.6000 0.4 1 830 80 80 LYS CG C 27.3300 0.4 1 831 80 80 LYS CD C 29.2000 0.4 1 832 80 80 LYS N N 123.9800 0.4 1 833 81 81 PRO HA H 4.4080 0.04 1 834 81 81 PRO HB2 H 1.9360 0.04 2 835 81 81 PRO HB3 H 2.3050 0.04 2 836 81 81 PRO HG3 H 2.0070 0.04 2 837 81 81 PRO HD2 H 3.6570 0.04 2 838 81 81 PRO HD3 H 3.8290 0.04 2 839 81 81 PRO CA C 63.3600 0.4 1 840 81 81 PRO CB C 32.1600 0.4 1 841 81 81 PRO CG C 27.7800 0.4 1 842 81 81 PRO CD C 50.8200 0.4 1 843 82 82 GLN H H 8.4490 0.04 1 844 82 82 GLN HA H 4.4070 0.04 1 845 82 82 GLN HB2 H 1.7520 0.04 2 846 82 82 GLN HB3 H 2.1120 0.04 2 847 82 82 GLN HG3 H 1.9100 0.04 2 848 82 82 GLN CA C 56.0600 0.4 1 849 82 82 GLN CB C 29.8300 0.4 1 850 82 82 GLN CG C 35.0000 0.4 1 851 82 82 GLN N N 120.6280 0.4 1 852 83 83 ALA H H 8.0000 0.04 1 853 83 83 ALA HA H 4.1000 0.04 1 854 83 83 ALA HB H 1.3280 0.04 1 855 83 83 ALA CA C 54.2200 0.4 1 856 83 83 ALA CB C 20.3700 0.4 1 857 83 83 ALA N N 108.9600 0.4 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 199 1 ASN HA H 4.7600 0.04 1 2 199 1 ASN HB2 H 2.7950 0.04 2 3 199 1 ASN HB3 H 2.8600 0.04 2 4 199 1 ASN CA C 53.4600 0.4 1 5 199 1 ASN CB C 39.0310 0.4 1 6 199 1 ASN N N 118.2700 0.4 1 7 200 2 LEU H H 8.3000 0.04 1 8 200 2 LEU HA H 4.3860 0.04 1 9 200 2 LEU HB3 H 1.6710 0.04 2 10 200 2 LEU HD1 H 0.9710 0.04 2 11 200 2 LEU HD2 H 0.9710 0.04 2 12 200 2 LEU CA C 55.6580 0.4 1 13 200 2 LEU CB C 42.3930 0.4 1 14 200 2 LEU N N 122.4900 0.4 1 15 201 3 GLN H H 8.5840 0.04 1 16 201 3 GLN HA H 4.3320 0.04 1 17 201 3 GLN HB2 H 1.9800 0.04 2 18 201 3 GLN HB3 H 2.0900 0.04 2 19 201 3 GLN HG3 H 2.3400 0.04 2 20 201 3 GLN CA C 57.5420 0.4 1 21 201 3 GLN CB C 30.7550 0.4 1 22 201 3 GLN CG C 34.3900 0.4 1 23 201 3 GLN N N 125.5340 0.4 1 24 202 4 SER H H 8.3770 0.04 1 25 202 4 SER HA H 4.4450 0.04 1 26 202 4 SER HB2 H 3.8100 0.04 2 27 202 4 SER HB3 H 3.8700 0.04 2 28 202 4 SER CA C 58.4980 0.4 1 29 202 4 SER CB C 64.2480 0.4 1 30 202 4 SER N N 121.8960 0.4 1 31 203 5 SER H H 8.4200 0.04 1 32 203 5 SER HA H 4.4750 0.04 1 33 203 5 SER HB3 H 3.8360 0.04 2 34 203 5 SER CA C 58.8970 0.4 1 35 203 5 SER CB C 63.9080 0.4 1 36 203 5 SER N N 123.2520 0.4 1 37 204 6 ILE H H 8.1260 0.04 1 38 204 6 ILE HA H 4.1980 0.04 1 39 204 6 ILE HB H 1.8680 0.04 1 40 204 6 ILE HG12 H 1.1690 0.04 1 41 204 6 ILE HG13 H 1.4430 0.04 1 42 204 6 ILE HG2 H 0.8250 0.04 1 43 204 6 ILE HD1 H 0.8250 0.04 1 44 204 6 ILE CA C 61.6100 0.4 1 45 204 6 ILE CB C 38.8470 0.4 1 46 204 6 ILE CG1 C 27.1280 0.4 1 47 204 6 ILE CG2 C 17.4010 0.4 1 48 204 6 ILE CD1 C 13.1580 0.4 1 49 204 6 ILE N N 122.2090 0.4 1 50 205 7 VAL H H 8.2240 0.04 1 51 205 7 VAL HA H 4.0490 0.04 1 52 205 7 VAL HB H 1.9840 0.04 1 53 205 7 VAL HG1 H 0.7750 0.04 2 54 205 7 VAL HG2 H 0.8570 0.04 2 55 205 7 VAL CA C 62.5560 0.4 1 56 205 7 VAL CB C 32.9480 0.4 1 57 205 7 VAL CG1 C 21.3260 0.4 1 58 205 7 VAL CG2 C 20.8380 0.4 1 59 205 7 VAL N N 125.0200 0.4 1 60 206 8 LYS H H 8.3910 0.04 1 61 206 8 LYS HA H 4.2550 0.04 1 62 206 8 LYS HB3 H 1.6220 0.04 2 63 206 8 LYS HG2 H 1.3060 0.04 2 64 206 8 LYS HG3 H 1.3760 0.04 2 65 206 8 LYS HD3 H 1.6520 0.04 2 66 206 8 LYS HE3 H 2.9600 0.04 2 67 206 8 LYS CA C 55.9780 0.4 1 68 206 8 LYS CB C 33.4280 0.4 1 69 206 8 LYS N N 125.6980 0.4 1 70 207 9 PHE H H 8.2790 0.04 1 71 207 9 PHE HA H 4.6270 0.04 1 72 207 9 PHE HB2 H 2.9650 0.04 2 73 207 9 PHE HB3 H 3.0530 0.04 2 74 207 9 PHE HD1 H 7.1710 0.04 3 75 207 9 PHE HE1 H 7.2400 0.04 3 76 207 9 PHE HZ H 7.0820 0.04 1 77 207 9 PHE CA C 59.2980 0.4 1 78 207 9 PHE CB C 40.5480 0.4 1 79 207 9 PHE CD1 C 132.7880 0.4 3 80 207 9 PHE CE1 C 131.4380 0.4 3 81 207 9 PHE CZ C 129.0980 0.4 1 82 207 9 PHE N N 126.7800 0.4 1 83 208 10 LYS H H 8.2480 0.04 1 84 208 10 LYS HA H 4.2550 0.04 1 85 208 10 LYS HB2 H 1.6220 0.04 2 86 208 10 LYS HB3 H 1.7150 0.04 2 87 208 10 LYS HG2 H 1.3200 0.04 2 88 208 10 LYS HG3 H 1.3730 0.04 2 89 208 10 LYS HD3 H 1.6520 0.04 2 90 208 10 LYS HE3 H 2.9320 0.04 2 91 208 10 LYS CA C 57.5580 0.4 1 92 208 10 LYS CB C 30.4440 0.4 1 93 209 11 LYS H H 8.3820 0.04 1 94 209 11 LYS HA H 4.4320 0.04 1 95 209 11 LYS HB3 H 1.7930 0.04 2 96 209 11 LYS HG3 H 1.4570 0.04 2 97 209 11 LYS HD3 H 1.6810 0.04 2 98 209 11 LYS HE3 H 2.9710 0.04 2 99 209 11 LYS CA C 57.9450 0.4 1 100 209 11 LYS CB C 30.2640 0.4 1 101 209 11 LYS N N 121.0780 0.4 1 102 210 12 PRO HA H 4.4250 0.04 1 103 210 12 PRO HB2 H 1.8730 0.04 2 104 210 12 PRO HB3 H 2.2320 0.04 2 105 210 12 PRO HG3 H 1.9900 0.04 2 106 210 12 PRO HD2 H 3.6280 0.04 2 107 210 12 PRO HD3 H 3.8550 0.04 2 108 210 12 PRO CA C 62.8470 0.4 1 109 210 12 PRO CB C 32.2780 0.4 1 110 210 12 PRO CG C 27.4600 0.4 1 111 210 12 PRO CD C 50.8200 0.4 1 112 211 13 LEU H H 8.4160 0.04 1 113 211 13 LEU HA H 4.5720 0.04 1 114 211 13 LEU HB2 H 1.5620 0.04 2 115 211 13 LEU HB3 H 1.5800 0.04 2 116 211 13 LEU HG H 1.7330 0.04 1 117 211 13 LEU HD1 H 0.9460 0.04 2 118 211 13 LEU HD2 H 0.9280 0.04 2 119 211 13 LEU CA C 53.4380 0.4 1 120 211 13 LEU CB C 41.7800 0.4 1 121 211 13 LEU CG C 27.3580 0.4 1 122 211 13 LEU CD1 C 25.4680 0.4 1 123 211 13 LEU CD2 C 23.5760 0.4 1 124 211 13 LEU N N 123.5080 0.4 1 125 212 14 PRO HA H 4.4280 0.04 1 126 212 14 PRO HB2 H 1.8970 0.04 2 127 212 14 PRO HB3 H 2.2910 0.04 2 128 212 14 PRO HG3 H 2.0330 0.04 2 129 212 14 PRO HD2 H 3.5960 0.04 2 130 212 14 PRO HD3 H 3.8040 0.04 2 131 212 14 PRO CA C 63.0180 0.4 1 132 212 14 PRO CB C 32.1780 0.4 1 133 212 14 PRO CD C 50.7880 0.4 1 134 213 15 LEU H H 8.4860 0.04 1 135 213 15 LEU HA H 4.3620 0.04 1 136 213 15 LEU HB3 H 1.6630 0.04 2 137 213 15 LEU HG H 1.6070 0.04 1 138 213 15 LEU HD1 H 0.9030 0.04 2 139 213 15 LEU HD2 H 0.9470 0.04 2 140 213 15 LEU CA C 55.5980 0.4 1 141 213 15 LEU CB C 42.5580 0.4 1 142 213 15 LEU CG C 27.3000 0.4 1 143 213 15 LEU CD1 C 25.2280 0.4 1 144 213 15 LEU CD2 C 24.0490 0.4 1 145 213 15 LEU N N 121.7780 0.4 1 146 214 16 THR H H 8.1280 0.04 1 147 214 16 THR HA H 4.3050 0.04 1 148 214 16 THR HB H 4.1800 0.04 1 149 214 16 THR HG2 H 1.1670 0.04 1 150 214 16 THR CA C 61.8580 0.4 1 151 214 16 THR CB C 70.0780 0.4 1 152 214 16 THR CG2 C 21.9180 0.4 1 153 214 16 THR N N 114.3980 0.4 1 154 215 17 GLN H H 8.5170 0.04 1 155 215 17 GLN HA H 4.4210 0.04 1 156 215 17 GLN HB2 H 2.0120 0.04 2 157 215 17 GLN HB3 H 2.1680 0.04 2 158 215 17 GLN HG3 H 2.3740 0.04 2 159 215 17 GLN CA C 53.7080 0.4 1 160 215 17 GLN CB C 29.2280 0.4 1 161 215 17 GLN CG C 33.5160 0.4 1 162 215 17 GLN N N 123.2080 0.4 1 163 216 18 PRO HA H 4.3870 0.04 1 164 216 18 PRO HB3 H 2.9270 0.04 2 165 216 18 PRO HD2 H 3.7210 0.04 2 166 216 18 PRO HD3 H 3.8330 0.04 2 167 216 18 PRO CA C 63.1640 0.4 1 168 216 18 PRO CB C 34.7280 0.4 1 169 216 18 PRO CD C 51.0280 0.4 1 170 217 19 GLY H H 8.6470 0.04 1 171 217 19 GLY HA3 H 4.0480 0.04 2 172 217 19 GLY CA C 45.2980 0.4 1 173 217 19 GLY N N 110.5280 0.4 1 stop_ save_