data_11011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal soluble domains of Bacillus subtilis CopA ; _BMRB_accession_number 11011 _BMRB_flat_file_name bmr11011.str _Entry_type original _Submission_date 2007-10-29 _Accession_date 2007-10-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Solution structure of the N-terminal soluble domains of wild-type Bacillus subtilis CopA in the apo form ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singleton Chloe . . 2 Banci Lucia . . 3 Bertini Ivano . . 4 Ciofi-Baffoni Simone . . 5 Tenori Leonardo . . 6 Kihlken Margaret A. . 7 Boetzel Ruth . . 8 'Le Brun' Nick E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 757 "13C chemical shifts" 416 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Cu(I)-binding properties of the N-terminal soluble domains of Bacillus subtilis CopA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18215122 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singleton Chloe . . 2 Banci Lucia . . 3 Ciofi-Baffoni Simone . . 4 Tenori Leonardo . . 5 Kihlken Margaret A. . 6 Boetzel Ruth . . 7 'Le Brun' Nick E. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 411 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 571 _Page_last 579 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CopA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CopA _Molecular_mass 15936.320 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MLSEQKEIAMQVSGMTCAAC AARIEKGLKRMPGVTDANVN LATETSNVIYDPAETGTAAI QEKIEKLGYHVVTEKAEFDI EGMTCAACANRIEKRLNKIE GVANAPVNFALETVTVEYNP KEASVSDLKEAVDKLGYKLK LKGEQDS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 SER 4 GLU 5 GLN 6 LYS 7 GLU 8 ILE 9 ALA 10 MET 11 GLN 12 VAL 13 SER 14 GLY 15 MET 16 THR 17 CYS 18 ALA 19 ALA 20 CYS 21 ALA 22 ALA 23 ARG 24 ILE 25 GLU 26 LYS 27 GLY 28 LEU 29 LYS 30 ARG 31 MET 32 PRO 33 GLY 34 VAL 35 THR 36 ASP 37 ALA 38 ASN 39 VAL 40 ASN 41 LEU 42 ALA 43 THR 44 GLU 45 THR 46 SER 47 ASN 48 VAL 49 ILE 50 TYR 51 ASP 52 PRO 53 ALA 54 GLU 55 THR 56 GLY 57 THR 58 ALA 59 ALA 60 ILE 61 GLN 62 GLU 63 LYS 64 ILE 65 GLU 66 LYS 67 LEU 68 GLY 69 TYR 70 HIS 71 VAL 72 VAL 73 THR 74 GLU 75 LYS 76 ALA 77 GLU 78 PHE 79 ASP 80 ILE 81 GLU 82 GLY 83 MET 84 THR 85 CYS 86 ALA 87 ALA 88 CYS 89 ALA 90 ASN 91 ARG 92 ILE 93 GLU 94 LYS 95 ARG 96 LEU 97 ASN 98 LYS 99 ILE 100 GLU 101 GLY 102 VAL 103 ALA 104 ASN 105 ALA 106 PRO 107 VAL 108 ASN 109 PHE 110 ALA 111 LEU 112 GLU 113 THR 114 VAL 115 THR 116 VAL 117 GLU 118 TYR 119 ASN 120 PRO 121 LYS 122 GLU 123 ALA 124 SER 125 VAL 126 SER 127 ASP 128 LEU 129 LYS 130 GLU 131 ALA 132 VAL 133 ASP 134 LYS 135 LEU 136 GLY 137 TYR 138 LYS 139 LEU 140 LYS 141 LEU 142 LYS 143 GLY 144 GLU 145 GLN 146 ASP 147 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2RML "Solution Structure Of The N-Terminal Soluble Domains Of Bacillus Subtilis Copa" 100.00 147 100.00 100.00 4.62e-101 DBJ BAI86922 "hypothetical protein BSNT_09869 [Bacillus subtilis subsp. natto BEST195]" 100.00 804 99.32 99.32 3.76e-94 DBJ BAM55428 "copper transporter ATPase [Bacillus subtilis BEST7613]" 100.00 803 100.00 100.00 6.42e-95 DBJ BAM59441 "copper transporter ATPase [Bacillus subtilis BEST7003]" 99.32 802 99.32 100.00 1.09e-93 DBJ GAK81833 "copper transporter ATPase [Bacillus subtilis Miyagi-4]" 100.00 804 99.32 99.32 3.76e-94 EMBL CAB15355 "copper transporter ATPase [Bacillus subtilis subsp. subtilis str. 168]" 99.32 802 99.32 100.00 1.09e-93 EMBL CCU60411 "Cu+ P-type ATPase [Bacillus subtilis E1]" 100.00 804 99.32 99.32 3.18e-94 EMBL CEI58885 "copper-exporting P-type ATPase A [Bacillus subtilis]" 100.00 803 100.00 100.00 6.42e-95 EMBL CEJ79011 "copper-exporting P-type ATPase A [Bacillus sp.]" 100.00 803 100.00 100.00 6.42e-95 EMBL CJR54553 "copper-transporting ATPase [Streptococcus pneumoniae]" 100.00 804 99.32 99.32 2.89e-94 GB ADV94160 "copper transporter ATPase [Bacillus subtilis BSn5]" 99.32 803 98.63 100.00 6.33e-93 GB AEP92386 "copper-translocating P-type ATPase [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 99.32 803 97.26 100.00 1.03e-91 GB AFQ59202 "Copper transporter ATPase [Bacillus subtilis QB928]" 100.00 831 100.00 100.00 1.23e-94 GB AGA23186 "Cation-transporting ATPase [Bacillus subtilis subsp. subtilis str. BSP1]" 100.00 803 99.32 99.32 3.09e-94 GB AGE64955 "hypothetical protein C663_3220 [Bacillus subtilis XF-1]" 100.00 804 99.32 99.32 2.42e-94 REF NP_391230 "copper-exporting P-type ATPase A [Bacillus subtilis subsp. subtilis str. 168]" 99.32 802 99.32 100.00 1.09e-93 REF WP_003242925 "MULTISPECIES: copper-exporting P-type ATPase A [Bacillus]" 99.32 802 99.32 100.00 1.09e-93 REF WP_014477985 "ATPase P [Bacillus subtilis]" 99.32 803 97.26 100.00 1.03e-91 REF WP_015483692 "hypothetical protein [Bacillus subtilis]" 99.32 803 98.63 99.32 4.77e-93 REF WP_015714705 "ATPase P [Bacillus subtilis]" 99.32 803 98.63 100.00 6.33e-93 SP O32220 "RecName: Full=Copper-exporting P-type ATPase A; Short=Protein CopA; AltName: Full=Cu(+)-exporting ATPase" 99.32 802 99.32 100.00 1.09e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 'recombinant technology' . Escherichia coli . pET21a 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 '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . 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 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . 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 dioxane C 13 'methylene carbons' ppm 0.00 internal direct . . . 1.0 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 internal 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 '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 3 3 SER N N 117.204 0.2 1 2 3 3 SER H H 8.258 0.01 1 3 3 3 SER CA C 55.486 0.2 1 4 3 3 SER HA H 4.305 0.01 1 5 3 3 SER HB2 H 3.699 0.01 1 6 3 3 SER HB3 H 3.699 0.01 1 7 4 4 GLU N N 123.100 0.2 1 8 4 4 GLU H H 8.420 0.01 1 9 4 4 GLU CA C 53.607 0.2 1 10 4 4 GLU HA H 4.176 0.01 1 11 4 4 GLU CB C 28.241 0.2 1 12 4 4 GLU HB2 H 1.808 0.01 1 13 4 4 GLU HB3 H 1.706 0.01 1 14 4 4 GLU CG C 33.565 0.2 1 15 4 4 GLU HG2 H 2.101 0.01 1 16 4 4 GLU HG3 H 2.057 0.01 1 17 5 5 GLN N N 119.219 0.2 1 18 5 5 GLN H H 7.977 0.01 1 19 5 5 GLN CA C 52.354 0.2 1 20 5 5 GLN HA H 4.543 0.01 1 21 5 5 GLN CB C 27.928 0.2 1 22 5 5 GLN HB2 H 1.859 0.01 1 23 5 5 GLN HB3 H 1.618 0.01 1 24 5 5 GLN CG C 31.686 0.2 1 25 5 5 GLN HG2 H 2.086 0.01 1 26 5 5 GLN HG3 H 1.991 0.01 1 27 5 5 GLN NE2 N 110.964 0.2 1 28 5 5 GLN HE21 H 7.324 0.01 1 29 5 5 GLN HE22 H 6.521 0.01 1 30 6 6 LYS N N 123.011 0.2 1 31 6 6 LYS H H 8.551 0.01 1 32 6 6 LYS CA C 51.415 0.2 1 33 6 6 LYS HA H 4.348 0.01 1 34 6 6 LYS CB C 32.939 0.2 1 35 6 6 LYS HB2 H 1.178 0.01 1 36 6 6 LYS CG C 22.918 0.2 1 37 6 6 LYS HG2 H 1.120 0.01 1 38 6 6 LYS HG3 H 1.120 0.01 1 39 6 6 LYS CD C 26.362 0.2 1 40 6 6 LYS HD2 H 1.575 0.01 1 41 6 6 LYS HD3 H 1.575 0.01 1 42 6 6 LYS CE C 39.515 0.2 1 43 6 6 LYS HE2 H 2.914 0.01 1 44 6 6 LYS HE3 H 2.914 0.01 1 45 7 7 GLU N N 120.121 0.2 1 46 7 7 GLU H H 8.127 0.01 1 47 7 7 GLU CA C 51.415 0.2 1 48 7 7 GLU HA H 5.483 0.01 1 49 7 7 GLU CB C 29.807 0.2 1 50 7 7 GLU HB2 H 1.857 0.01 1 51 7 7 GLU HB3 H 1.711 0.01 1 52 7 7 GLU CG C 33.565 0.2 1 53 7 7 GLU HG2 H 1.947 0.01 1 54 7 7 GLU HG3 H 1.947 0.01 1 55 8 8 ILE N N 122.386 0.2 1 56 8 8 ILE H H 9.080 0.01 1 57 8 8 ILE CA C 55.304 0.2 1 58 8 8 ILE HA H 4.748 0.01 1 59 8 8 ILE CB C 39.828 0.2 1 60 8 8 ILE HB H 1.770 0.01 1 61 8 8 ILE HG2 H 0.851 0.01 1 62 8 8 ILE CG2 C 15.402 0.2 1 63 8 8 ILE CG1 C 25.423 0.2 1 64 8 8 ILE HG12 H 1.219 0.01 1 65 8 8 ILE HG13 H 1.059 0.01 1 66 8 8 ILE HD1 H 0.825 0.01 1 67 8 8 ILE CD1 C 11.957 0.2 1 68 9 9 ALA N N 129.419 0.2 1 69 9 9 ALA H H 8.590 0.01 1 70 9 9 ALA CA C 47.344 0.2 1 71 9 9 ALA HA H 5.421 0.01 1 72 9 9 ALA CB C 18.847 0.2 1 73 10 10 MET N N 117.180 0.2 1 74 10 10 MET H H 8.610 0.01 1 75 10 10 MET CA C 51.728 0.2 1 76 10 10 MET HA H 4.566 0.01 1 77 10 10 MET CB C 33.660 0.2 1 78 10 10 MET HB2 H 1.765 0.01 1 79 10 10 MET HB3 H 1.459 0.01 1 80 10 10 MET CG C 29.494 0.2 1 81 10 10 MET HG2 H 2.615 0.01 1 82 10 10 MET HG3 H 1.991 0.01 1 83 10 10 MET C C 171.147 0.2 1 84 11 11 GLN N N 126.515 0.2 1 85 11 11 GLN H H 9.833 0.01 1 86 11 11 GLN CA C 52.348 0.2 1 87 11 11 GLN HA H 4.996 0.01 1 88 11 11 GLN CB C 26.258 0.2 1 89 11 11 GLN HB2 H 1.938 0.01 1 90 11 11 GLN HB3 H 1.813 0.01 1 91 11 11 GLN CG C 31.373 0.2 1 92 11 11 GLN HG2 H 2.447 0.01 1 93 11 11 GLN HG3 H 2.137 0.01 1 94 11 11 GLN NE2 N 109.957 0.2 1 95 11 11 GLN HE21 H 7.425 0.01 1 96 11 11 GLN HE22 H 6.677 0.01 1 97 12 12 VAL N N 126.021 0.2 1 98 12 12 VAL H H 8.543 0.01 1 99 12 12 VAL CA C 57.784 0.2 1 100 12 12 VAL HA H 4.883 0.01 1 101 12 12 VAL CB C 32.336 0.2 1 102 12 12 VAL HB H 1.490 0.01 1 103 12 12 VAL HG1 H 0.653 0.01 1 104 12 12 VAL HG2 H 0.618 0.01 1 105 12 12 VAL CG1 C 19.473 0.2 1 106 12 12 VAL CG2 C 19.473 0.2 1 107 13 13 SER N N 123.405 0.2 1 108 13 13 SER H H 9.578 0.01 1 109 13 13 SER CA C 54.231 0.2 1 110 13 13 SER HA H 4.837 0.01 1 111 13 13 SER CB C 63.001 0.2 1 112 13 13 SER HB2 H 3.761 0.01 1 113 13 13 SER HB3 H 3.614 0.01 1 114 14 14 GLY N N 109.560 0.2 1 115 14 14 GLY H H 8.533 0.01 1 116 14 14 GLY HA2 H 4.649 0.01 1 117 14 14 GLY HA3 H 4.649 0.01 1 118 14 14 GLY CA C 42.187 0.2 1 119 15 15 MET N N 120.595 0.2 1 120 15 15 MET H H 9.073 0.01 1 121 15 15 MET CA C 54.170 0.2 1 122 15 15 MET HA H 4.809 0.01 1 123 15 15 MET CB C 31.585 0.2 1 124 15 15 MET HB2 H 2.392 0.01 1 125 15 15 MET HB3 H 1.375 0.01 1 126 15 15 MET CG C 28.554 0.2 1 127 15 15 MET HG2 H 2.011 0.01 1 128 15 15 MET HG3 H 1.427 0.01 1 129 16 16 THR N N 118.833 0.2 1 130 16 16 THR H H 10.535 0.01 1 131 16 16 THR CA C 59.287 0.2 1 132 16 16 THR HA H 4.675 0.01 1 133 16 16 THR CB C 68.134 0.2 1 134 16 16 THR HB H 4.264 0.01 1 135 16 16 THR HG2 H 0.833 0.01 1 136 16 16 THR CG2 C 18.847 0.2 1 137 20 20 CYS N N 122.385 0.2 1 138 20 20 CYS H H 7.671 0.01 1 139 20 20 CYS CA C 61.940 0.2 1 140 20 20 CYS HA H 4.003 0.01 1 141 20 20 CYS CB C 26.676 0.2 1 142 20 20 CYS HB2 H 3.186 0.01 1 143 20 20 CYS HB3 H 2.583 0.01 1 144 21 21 ALA N N 119.087 0.2 1 145 21 21 ALA H H 6.493 0.01 1 146 21 21 ALA CA C 52.354 0.2 1 147 21 21 ALA HA H 3.738 0.01 1 148 21 21 ALA CB C 15.402 0.2 1 149 22 22 ALA N N 117.982 0.2 1 150 22 22 ALA H H 7.699 0.01 1 151 22 22 ALA CA C 51.491 0.2 1 152 22 22 ALA HA H 4.111 0.01 1 153 22 22 ALA CB C 16.302 0.2 1 154 23 23 ARG N N 117.198 0.2 1 155 23 23 ARG H H 8.329 0.01 1 156 23 23 ARG CA C 50.607 0.2 1 157 23 23 ARG HA H 3.878 0.01 1 158 23 23 ARG CB C 35.732 0.2 1 159 23 23 ARG HB2 H 1.941 0.01 1 160 23 23 ARG HB3 H 1.910 0.01 1 161 23 23 ARG CG C 25.423 0.2 1 162 23 23 ARG HG2 H 1.756 0.01 1 163 23 23 ARG HG3 H 1.520 0.01 1 164 23 23 ARG CD C 41.081 0.2 1 165 23 23 ARG HD2 H 3.399 0.01 1 166 23 23 ARG HD3 H 3.303 0.01 1 167 24 24 ILE N N 119.567 0.2 1 168 24 24 ILE H H 7.800 0.01 1 169 24 24 ILE CA C 59.652 0.2 1 170 24 24 ILE HA H 3.423 0.01 1 171 24 24 ILE CB C 29.733 0.2 1 172 24 24 ILE HB H 1.530 0.01 1 173 24 24 ILE HG2 H 0.454 0.01 1 174 24 24 ILE CG2 C 15.089 0.2 1 175 24 24 ILE CG1 C 27.928 0.2 1 176 24 24 ILE HG12 H 1.457 0.01 1 177 24 24 ILE HG13 H 0.298 0.01 1 178 24 24 ILE HD1 H -0.143 0.01 1 179 24 24 ILE CD1 C 11.018 0.2 1 180 25 25 GLU N N 117.400 0.2 1 181 25 25 GLU H H 8.218 0.01 1 182 25 25 GLU CA C 58.304 0.2 1 183 25 25 GLU HA H 3.677 0.01 1 184 25 25 GLU CB C 27.302 0.2 1 185 25 25 GLU HB2 H 1.923 0.01 1 186 25 25 GLU HB3 H 1.761 0.01 1 187 25 25 GLU CG C 34.817 0.2 1 188 25 25 GLU HG2 H 2.226 0.01 1 189 25 25 GLU HG3 H 1.789 0.01 1 190 26 26 LYS N N 116.988 0.2 1 191 26 26 LYS H H 8.234 0.01 1 192 26 26 LYS CA C 56.738 0.2 1 193 26 26 LYS HA H 3.883 0.01 1 194 26 26 LYS CB C 29.494 0.2 1 195 26 26 LYS HB2 H 1.769 0.01 1 196 26 26 LYS HB3 H 1.681 0.01 1 197 26 26 LYS CG C 22.605 0.2 1 198 26 26 LYS HG2 H 1.482 0.01 1 199 26 26 LYS HG3 H 1.316 0.01 1 200 26 26 LYS HD2 H 1.527 0.01 1 201 26 26 LYS HD3 H 1.527 0.01 1 202 26 26 LYS HE2 H 3.198 0.01 1 203 26 26 LYS HE3 H 2.874 0.01 1 204 27 27 GLY N N 104.924 0.2 1 205 27 27 GLY H H 7.776 0.01 1 206 27 27 GLY CA C 44.212 0.2 1 207 27 27 GLY HA3 H 3.720 0.01 1 208 27 27 GLY HA2 H 3.383 0.01 1 209 28 28 LEU N N 120.662 0.2 1 210 28 28 LEU H H 8.297 0.01 1 211 28 28 LEU CA C 54.657 0.2 1 212 28 28 LEU HA H 4.160 0.01 1 213 28 28 LEU CB C 39.672 0.2 1 214 28 28 LEU HB2 H 1.643 0.01 1 215 28 28 LEU HB3 H 0.877 0.01 1 216 28 28 LEU CG C 24.483 0.2 1 217 28 28 LEU HG H 0.477 0.01 1 218 28 28 LEU HD1 H 0.741 0.01 1 219 28 28 LEU HD2 H 0.727 0.01 1 220 28 28 LEU CD1 C 20.412 0.2 1 221 28 28 LEU CD2 C 20.412 0.2 1 222 29 29 LYS N N 115.035 0.2 1 223 29 29 LYS H H 7.976 0.01 1 224 29 29 LYS CA C 56.738 0.2 1 225 29 29 LYS HA H 3.647 0.01 1 226 29 29 LYS CB C 29.807 0.2 1 227 29 29 LYS HB2 H 1.816 0.01 1 228 29 29 LYS HB3 H 1.688 0.01 1 229 29 29 LYS CG C 25.110 0.2 1 230 29 29 LYS HG2 H 1.190 0.01 1 231 29 29 LYS HG3 H 1.190 0.01 1 232 29 29 LYS CD C 26.989 0.2 1 233 29 29 LYS HD2 H 1.680 0.01 1 234 29 29 LYS HD3 H 1.680 0.01 1 235 29 29 LYS CE C 39.202 0.2 1 236 29 29 LYS HE2 H 3.367 0.01 1 237 29 29 LYS HE3 H 3.367 0.01 1 238 30 30 ARG N N 114.533 0.2 1 239 30 30 ARG H H 6.936 0.01 1 240 30 30 ARG CA C 53.142 0.2 1 241 30 30 ARG HA H 4.218 0.01 1 242 30 30 ARG CB C 28.241 0.2 1 243 30 30 ARG HB2 H 1.946 0.01 1 244 30 30 ARG HB3 H 1.793 0.01 1 245 30 30 ARG CG C 24.797 0.2 1 246 30 30 ARG HG2 H 1.693 0.01 1 247 30 30 ARG HG3 H 1.556 0.01 1 248 30 30 ARG CD C 40.767 0.2 1 249 30 30 ARG HD2 H 3.038 0.01 1 250 30 30 ARG HD3 H 3.038 0.01 1 251 31 31 MET N N 123.270 0.2 1 252 31 31 MET H H 7.712 0.01 1 253 31 31 MET CA C 51.728 0.2 1 254 31 31 MET HA H 4.382 0.01 1 255 31 31 MET CB C 30.747 0.2 1 256 31 31 MET HB2 H 2.101 0.01 1 257 31 31 MET HB3 H 2.056 0.01 1 258 31 31 MET CG C 29.181 0.2 1 259 31 31 MET HG2 H 2.645 0.01 1 260 31 31 MET HG3 H 2.424 0.01 1 261 32 32 PRO CD C 48.283 0.2 1 262 32 32 PRO CA C 61.122 0.2 1 263 32 32 PRO HA H 4.225 0.01 1 264 32 32 PRO CB C 28.868 0.2 1 265 32 32 PRO HB2 H 2.245 0.01 1 266 32 32 PRO HB3 H 2.245 0.01 1 267 32 32 PRO CG C 25.110 0.2 1 268 32 32 PRO HG2 H 2.081 0.01 1 269 32 32 PRO HG3 H 1.926 0.01 1 270 32 32 PRO HD2 H 3.983 0.01 1 271 32 32 PRO HD3 H 3.569 0.01 1 272 33 33 GLY N N 110.920 0.2 1 273 33 33 GLY H H 8.517 0.01 1 274 33 33 GLY CA C 43.182 0.2 1 275 33 33 GLY HA3 H 4.193 0.01 1 276 33 33 GLY HA2 H 3.686 0.01 1 277 34 34 VAL N N 120.850 0.2 1 278 34 34 VAL H H 7.521 0.01 1 279 34 34 VAL CA C 60.786 0.2 1 280 34 34 VAL HA H 4.114 0.01 1 281 34 34 VAL CB C 28.745 0.2 1 282 34 34 VAL HB H 2.295 0.01 1 283 34 34 VAL HG1 H 0.735 0.01 1 284 34 34 VAL HG2 H 0.602 0.01 1 285 34 34 VAL CG1 C 20.412 0.2 1 286 34 34 VAL CG2 C 19.160 0.2 1 287 35 35 THR N N 125.368 0.2 1 288 35 35 THR H H 9.136 0.01 1 289 35 35 THR HA H 4.079 0.01 1 290 35 35 THR CB C 65.846 0.2 1 291 35 35 THR HB H 3.772 0.01 1 292 35 35 THR HG2 H 1.024 0.01 1 293 35 35 THR CG2 C 19.160 0.2 1 294 36 36 ASP N N 118.424 0.2 1 295 36 36 ASP H H 7.993 0.01 1 296 36 36 ASP HA H 4.692 0.01 1 297 36 36 ASP HB2 H 2.392 0.01 1 298 36 36 ASP HB3 H 2.126 0.01 1 299 36 36 ASP CA C 53.803 0.2 1 300 37 37 ALA N N 121.094 0.2 1 301 37 37 ALA H H 8.205 0.01 1 302 37 37 ALA CA C 48.909 0.2 1 303 37 37 ALA HA H 5.335 0.01 1 304 37 37 ALA CB C 20.412 0.2 1 305 38 38 ASN N N 117.837 0.2 1 306 38 38 ASN H H 8.627 0.01 1 307 38 38 ASN CA C 49.849 0.2 1 308 38 38 ASN HA H 4.991 0.01 1 309 38 38 ASN CB C 40.454 0.2 1 310 38 38 ASN HB2 H 2.466 0.01 1 311 38 38 ASN HB3 H 2.466 0.01 1 312 38 38 ASN ND2 N 114.550 0.2 1 313 38 38 ASN HD21 H 7.658 0.01 1 314 38 38 ASN HD22 H 6.671 0.01 1 315 39 39 VAL N N 126.704 0.2 1 316 39 39 VAL H H 9.718 0.01 1 317 39 39 VAL CA C 58.617 0.2 1 318 39 39 VAL HA H 4.405 0.01 1 319 39 39 VAL CB C 30.120 0.2 1 320 39 39 VAL HB H 1.813 0.01 1 321 39 39 VAL HG1 H 0.832 0.01 1 322 39 39 VAL HG2 H 0.580 0.01 1 323 39 39 VAL CG1 C 19.473 0.2 1 324 39 39 VAL CG2 C 18.847 0.2 1 325 40 40 ASN N N 126.972 0.2 1 326 40 40 ASN H H 8.551 0.01 1 327 40 40 ASN CA C 48.596 0.2 1 328 40 40 ASN HA H 4.729 0.01 1 329 40 40 ASN CB C 36.968 0.2 1 330 40 40 ASN HB2 H 3.017 0.01 1 331 40 40 ASN HB3 H 2.396 0.01 1 332 40 40 ASN ND2 N 111.519 0.2 1 333 40 40 ASN HD21 H 7.327 0.01 1 334 40 40 ASN HD22 H 6.521 0.01 1 335 41 41 LEU N N 126.422 0.2 1 336 41 41 LEU H H 8.787 0.01 1 337 41 41 LEU CA C 54.359 0.2 1 338 41 41 LEU HA H 3.705 0.01 1 339 41 41 LEU CB C 39.828 0.2 1 340 41 41 LEU HB2 H 1.642 0.01 1 341 41 41 LEU HB3 H 1.252 0.01 1 342 41 41 LEU CG C 24.170 0.2 1 343 41 41 LEU HG H 1.391 0.01 1 344 41 41 LEU HD1 H 0.649 0.01 1 345 41 41 LEU HD2 H 0.617 0.01 1 346 41 41 LEU CD1 C 21.665 0.2 1 347 41 41 LEU CD2 C 21.978 0.2 1 348 42 42 ALA N N 114.747 0.2 1 349 42 42 ALA H H 8.331 0.01 1 350 42 42 ALA CA C 52.752 0.2 1 351 42 42 ALA HA H 3.704 0.01 1 352 42 42 ALA CB C 14.189 0.2 1 353 43 43 THR N N 104.239 0.2 1 354 43 43 THR H H 7.305 0.01 1 355 43 43 THR CA C 58.043 0.2 1 356 43 43 THR HA H 4.349 0.01 1 357 43 43 THR CB C 66.477 0.2 1 358 43 43 THR HB H 4.428 0.01 1 359 43 43 THR HG2 H 0.965 0.01 1 360 43 43 THR CG2 C 18.534 0.2 1 361 44 44 GLU N N 122.815 0.2 1 362 44 44 GLU H H 8.163 0.01 1 363 44 44 GLU CA C 54.810 0.2 1 364 44 44 GLU HA H 3.452 0.01 1 365 44 44 GLU CB C 24.208 0.2 1 366 44 44 GLU HB2 H 2.468 0.01 1 367 44 44 GLU HB3 H 2.203 0.01 1 368 44 44 GLU CG C 35.131 0.2 1 369 44 44 GLU HG2 H 2.057 0.01 1 370 45 45 THR N N 110.136 0.2 1 371 45 45 THR H H 7.539 0.01 1 372 45 45 THR CA C 59.169 0.2 1 373 45 45 THR HA H 5.081 0.01 1 374 45 45 THR CB C 68.348 0.2 1 375 45 45 THR HB H 3.693 0.01 1 376 45 45 THR HG2 H 0.951 0.01 1 377 45 45 THR CG2 C 18.534 0.2 1 378 46 46 SER N N 125.571 0.2 1 379 46 46 SER H H 8.193 0.01 1 380 46 46 SER CA C 49.932 0.2 1 381 46 46 SER HA H 4.696 0.01 1 382 47 47 ASN N N 125.895 0.2 1 383 47 47 ASN H H 8.523 0.01 1 384 47 47 ASN CA C 50.323 0.2 1 385 47 47 ASN HA H 5.575 0.01 1 386 47 47 ASN CB C 38.575 0.2 1 387 47 47 ASN HB2 H 2.492 0.01 1 388 47 47 ASN HB3 H 2.446 0.01 1 389 47 47 ASN ND2 N 112.699 0.2 1 390 47 47 ASN HD21 H 7.536 0.01 1 391 47 47 ASN HD22 H 6.706 0.01 1 392 48 48 VAL N N 124.915 0.2 1 393 48 48 VAL H H 9.047 0.01 1 394 48 48 VAL HA H 4.564 0.01 1 395 48 48 VAL CB C 32.625 0.2 1 396 48 48 VAL HB H 1.858 0.01 1 397 48 48 VAL HG1 H 0.962 0.01 1 398 48 48 VAL HG2 H 0.805 0.01 1 399 48 48 VAL CG1 C 20.412 0.2 1 400 48 48 VAL CG2 C 20.412 0.2 1 401 48 48 VAL CA C 58.896 0.2 1 402 49 49 ILE N N 127.896 0.2 1 403 49 49 ILE H H 8.481 0.01 1 404 49 49 ILE CA C 57.364 0.2 1 405 49 49 ILE HA H 5.027 0.01 1 406 49 49 ILE CB C 36.383 0.2 1 407 49 49 ILE HB H 1.487 0.01 1 408 49 49 ILE HG2 H 0.726 0.01 1 409 49 49 ILE CG2 C 15.402 0.2 1 410 49 49 ILE CG1 C 24.797 0.2 1 411 49 49 ILE HG12 H 1.438 0.01 1 412 49 49 ILE HG13 H 0.897 0.01 1 413 49 49 ILE HD1 H 0.619 0.01 1 414 49 49 ILE CD1 C 10.705 0.2 1 415 50 50 TYR N N 124.634 0.2 1 416 50 50 TYR H H 9.328 0.01 1 417 50 50 TYR CA C 52.329 0.2 1 418 50 50 TYR HA H 5.445 0.01 1 419 50 50 TYR CB C 39.214 0.2 1 420 50 50 TYR HB2 H 2.769 0.01 1 421 50 50 TYR HB3 H 2.389 0.01 1 422 51 51 ASP N N 119.380 0.2 1 423 51 51 ASP H H 8.752 0.01 1 424 51 51 ASP CA C 47.030 0.2 1 425 51 51 ASP HA H 4.945 0.01 1 426 51 51 ASP CB C 39.515 0.2 1 427 51 51 ASP HB2 H 2.896 0.01 1 428 51 51 ASP HB3 H 2.561 0.01 1 429 52 52 PRO CD C 48.596 0.2 1 430 52 52 PRO CA C 60.496 0.2 1 431 52 52 PRO HA H 5.094 0.01 1 432 52 52 PRO CB C 29.807 0.2 1 433 52 52 PRO HB2 H 2.168 0.01 1 434 52 52 PRO HB3 H 2.168 0.01 1 435 52 52 PRO CG C 24.170 0.2 1 436 52 52 PRO HG2 H 1.903 0.01 1 437 52 52 PRO HG3 H 1.688 0.01 1 438 52 52 PRO HD2 H 3.992 0.01 1 439 52 52 PRO HD3 H 3.613 0.01 1 440 53 53 ALA N N 121.063 0.2 1 441 53 53 ALA H H 8.532 0.01 1 442 53 53 ALA CA C 50.475 0.2 1 443 53 53 ALA HA H 4.253 0.01 1 444 53 53 ALA CB C 16.028 0.2 1 445 54 54 GLU N N 115.967 0.2 1 446 54 54 GLU H H 7.772 0.01 1 447 54 54 GLU CA C 53.293 0.2 1 448 54 54 GLU HA H 4.282 0.01 1 449 54 54 GLU CB C 27.894 0.2 1 450 54 54 GLU HB2 H 1.929 0.01 1 451 54 54 GLU HB3 H 1.734 0.01 1 452 54 54 GLU CG C 32.939 0.2 1 453 54 54 GLU HG2 H 2.076 0.01 1 454 54 54 GLU HG3 H 1.944 0.01 1 455 55 55 THR N N 114.494 0.2 1 456 55 55 THR H H 8.015 0.01 1 457 55 55 THR HA H 4.436 0.01 1 458 55 55 THR CB C 65.506 0.2 1 459 55 55 THR HB H 4.176 0.01 1 460 55 55 THR HG2 H 0.862 0.01 1 461 55 55 THR CG2 C 16.341 0.2 1 462 55 55 THR CA C 57.364 0.2 1 463 56 56 GLY N N 105.179 0.2 1 464 56 56 GLY H H 7.869 0.01 1 465 56 56 GLY CA C 42.333 0.2 1 466 56 56 GLY HA3 H 4.132 0.01 1 467 56 56 GLY HA2 H 3.891 0.01 1 468 57 57 THR N N 110.486 0.2 1 469 57 57 THR H H 8.317 0.01 1 470 57 57 THR CA C 63.517 0.2 1 471 57 57 THR HA H 3.309 0.01 1 472 57 57 THR HB H 3.909 0.01 1 473 57 57 THR HG2 H 1.088 0.01 1 474 57 57 THR CG2 C 20.099 0.2 1 475 58 58 ALA N N 124.820 0.2 1 476 58 58 ALA H H 8.398 0.01 1 477 58 58 ALA CA C 52.692 0.2 1 478 58 58 ALA HA H 3.987 0.01 1 479 58 58 ALA CB C 14.634 0.2 1 480 59 59 ALA N N 121.156 0.2 1 481 59 59 ALA H H 7.661 0.01 1 482 59 59 ALA CA C 51.939 0.2 1 483 59 59 ALA HA H 3.989 0.01 1 484 60 60 ILE N N 120.920 0.2 1 485 60 60 ILE H H 7.457 0.01 1 486 60 60 ILE CA C 62.793 0.2 1 487 60 60 ILE HA H 3.220 0.01 1 488 60 60 ILE CB C 40.83 0.2 1 489 60 60 ILE HB H 1.300 0.01 1 490 60 60 ILE HG2 H 0.608 0.01 1 491 60 60 ILE CG2 C 15.089 0.2 1 492 60 60 ILE CG1 C 26.676 0.2 1 493 60 60 ILE HG12 H 1.447 0.01 1 494 60 60 ILE HG13 H 0.511 0.01 1 495 60 60 ILE HD1 H -0.063 0.01 1 496 60 60 ILE CD1 C 11.018 0.2 1 497 61 61 GLN N N 118.593 0.2 1 498 61 61 GLN H H 8.133 0.01 1 499 61 61 GLN CA C 57.051 0.2 1 500 61 61 GLN HA H 5.167 0.01 1 501 61 61 GLN CB C 24.681 0.2 1 502 61 61 GLN HB2 H 1.958 0.01 1 503 61 61 GLN HB3 H 1.958 0.01 1 504 61 61 GLN CG C 31.060 0.2 1 505 61 61 GLN HG2 H 2.213 0.01 1 506 61 61 GLN HG3 H 2.067 0.01 1 507 61 61 GLN NE2 N 109.916 0.2 1 508 61 61 GLN HE21 H 7.260 0.01 1 509 61 61 GLN HE22 H 6.569 0.01 1 510 62 62 GLU N N 117.815 0.2 1 511 62 62 GLU H H 8.047 0.01 1 512 62 62 GLU CA C 56.425 0.2 1 513 62 62 GLU HA H 3.947 0.01 1 514 62 62 GLU CB C 26.676 0.2 1 515 62 62 GLU HB2 H 1.960 0.01 1 516 62 62 GLU HB3 H 1.960 0.01 1 517 62 62 GLU CG C 33.565 0.2 1 518 62 62 GLU HG2 H 2.225 0.01 1 519 63 63 LYS N N 120.151 0.2 1 520 63 63 LYS H H 7.631 0.01 1 521 63 63 LYS CA C 55.172 0.2 1 522 63 63 LYS HA H 3.945 0.01 1 523 63 63 LYS CB C 27.302 0.2 1 524 63 63 LYS HB2 H 1.979 0.01 1 525 63 63 LYS CG C 22.605 0.2 1 526 63 63 LYS HG2 H 1.561 0.01 1 527 63 63 LYS HG3 H 1.424 0.01 1 528 63 63 LYS CD C 26.362 0.2 1 529 63 63 LYS HD2 H 1.596 0.01 1 530 63 63 LYS HD3 H 1.596 0.01 1 531 63 63 LYS HE2 H 2.820 0.01 1 532 63 63 LYS HE3 H 2.638 0.01 1 533 64 64 ILE N N 118.296 0.2 1 534 64 64 ILE H H 7.448 0.01 1 535 64 64 ILE CA C 64.094 0.2 1 536 64 64 ILE HA H 3.341 0.01 1 537 64 64 ILE CB C 34.817 0.2 1 538 64 64 ILE HB H 1.925 0.01 1 539 64 64 ILE HG2 H 0.721 0.01 1 540 64 64 ILE CG2 C 16.028 0.2 1 541 64 64 ILE CG1 C 27.302 0.2 1 542 64 64 ILE HG12 H 1.801 0.01 1 543 64 64 ILE HG13 H 0.587 0.01 1 544 64 64 ILE HD1 H 0.509 0.01 1 545 64 64 ILE CD1 C 11.331 0.2 1 546 65 65 GLU N N 118.113 0.2 1 547 65 65 GLU H H 7.848 0.01 1 548 65 65 GLU HA H 4.577 0.01 1 549 65 65 GLU CB C 26.049 0.2 1 550 65 65 GLU HB2 H 1.906 0.01 1 551 65 65 GLU HB3 H 1.830 0.01 1 552 65 65 GLU CG C 33.878 0.2 1 553 65 65 GLU HG2 H 2.410 0.01 1 554 65 65 GLU HG3 H 2.261 0.01 1 555 65 65 GLU CA C 55.261 0.2 1 556 66 66 LYS N N 123.491 0.2 1 557 66 66 LYS H H 8.757 0.01 1 558 66 66 LYS CA C 56.149 0.2 1 559 66 66 LYS HA H 3.907 0.01 1 560 66 66 LYS CB C 29.494 0.2 1 561 66 66 LYS HB2 H 1.939 0.01 1 562 66 66 LYS HB3 H 1.808 0.01 1 563 66 66 LYS HG2 H 1.538 0.01 1 564 66 66 LYS HG3 H 1.396 0.01 1 565 66 66 LYS CD C 26.362 0.2 1 566 66 66 LYS HD2 H 1.586 0.01 1 567 66 66 LYS HD3 H 1.586 0.01 1 568 66 66 LYS HE2 H 2.938 0.01 1 569 66 66 LYS HE3 H 2.938 0.01 1 570 67 67 LEU N N 118.316 0.2 1 571 67 67 LEU H H 7.795 0.01 1 572 67 67 LEU CA C 52.980 0.2 1 573 67 67 LEU HA H 4.138 0.01 1 574 67 67 LEU CB C 39.828 0.2 1 575 67 67 LEU HB2 H 2.154 0.01 1 576 67 67 LEU HB3 H 1.489 0.01 1 577 67 67 LEU CG C 23.857 0.2 1 578 67 67 LEU HD1 H 0.790 0.01 1 579 67 67 LEU HD2 H 0.759 0.01 1 580 67 67 LEU CD1 C 20.099 0.2 1 581 67 67 LEU CD2 C 20.099 0.2 1 582 68 68 GLY N N 104.396 0.2 1 583 68 68 GLY H H 7.635 0.01 1 584 68 68 GLY CA C 41.707 0.2 1 585 68 68 GLY HA3 H 3.829 0.01 1 586 68 68 GLY HA2 H 3.331 0.01 1 587 69 69 TYR N N 120.129 0.2 1 588 69 69 TYR H H 7.241 0.01 1 589 69 69 TYR CA C 54.170 0.2 1 590 69 69 TYR HA H 4.553 0.01 1 591 69 69 TYR CB C 37.010 0.2 1 592 69 69 TYR HB2 H 3.096 0.01 1 593 69 69 TYR HB3 H 2.192 0.01 1 594 70 70 HIS N N 114.511 0.2 1 595 70 70 HIS H H 7.723 0.01 1 596 70 70 HIS CA C 51.728 0.2 1 597 70 70 HIS HA H 4.940 0.01 1 598 70 70 HIS CB C 28.839 0.2 1 599 70 70 HIS HB2 H 3.093 0.01 1 600 70 70 HIS HB3 H 3.002 0.01 1 601 70 70 HIS HD2 H 6.721 0.01 1 602 71 71 VAL N N 125.118 0.2 1 603 71 71 VAL H H 8.902 0.01 1 604 71 71 VAL CA C 59.558 0.2 1 605 71 71 VAL HA H 4.975 0.01 1 606 71 71 VAL CB C 29.181 0.2 1 607 71 71 VAL HB H 1.771 0.01 1 608 71 71 VAL HG1 H 0.862 0.01 1 609 71 71 VAL HG2 H 0.812 0.01 1 610 71 71 VAL CG1 C 20.412 0.2 1 611 71 71 VAL CG2 C 18.847 0.2 1 612 72 72 VAL N N 129.265 0.2 1 613 72 72 VAL H H 8.462 0.01 1 614 72 72 VAL CA C 60.809 0.2 1 615 72 72 VAL HA H 4.360 0.01 1 616 72 72 VAL CB C 29.494 0.2 1 617 72 72 VAL HB H 1.681 0.01 1 618 72 72 VAL HG1 H 0.827 0.01 1 619 72 72 VAL HG2 H 0.741 0.01 1 620 72 72 VAL CG1 C 18.534 0.2 1 621 72 72 VAL CG2 C 18.220 0.2 1 622 73 73 THR N N 117.263 0.2 1 623 73 73 THR H H 7.816 0.01 1 624 73 73 THR CA C 56.738 0.2 1 625 73 73 THR HA H 4.524 0.01 1 626 73 73 THR CB C 68.638 0.2 1 627 73 73 THR HB H 3.753 0.01 1 628 73 73 THR HG2 H 0.768 0.01 1 629 73 73 THR CG2 C 19.160 0.2 1 630 74 74 GLU N N 120.931 0.2 1 631 74 74 GLU H H 8.589 0.01 1 632 74 74 GLU CA C 51.415 0.2 1 633 74 74 GLU HA H 4.451 0.01 1 634 74 74 GLU CB C 30.433 0.2 1 635 74 74 GLU HB2 H 1.515 0.01 1 636 74 74 GLU HB3 H 1.515 0.01 1 637 74 74 GLU CG C 33.565 0.2 1 638 74 74 GLU HG2 H 1.880 0.01 1 639 74 74 GLU HG3 H 1.880 0.01 1 640 75 75 LYS N N 118.360 0.2 1 641 75 75 LYS H H 8.281 0.01 1 642 75 75 LYS CA C 51.728 0.2 1 643 75 75 LYS HA H 5.544 0.01 1 644 75 75 LYS CB C 32.939 0.2 1 645 75 75 LYS HB2 H 1.509 0.01 1 646 75 75 LYS HB3 H 1.396 0.01 1 647 75 75 LYS CG C 22.918 0.2 1 648 75 75 LYS HG2 H 1.296 0.01 1 649 75 75 LYS HG3 H 1.023 0.01 1 650 75 75 LYS CD C 26.989 0.2 1 651 75 75 LYS HD2 H 1.483 0.01 1 652 75 75 LYS HD3 H 1.483 0.01 1 653 75 75 LYS HE2 H 2.734 0.01 1 654 75 75 LYS HE3 H 2.734 0.01 1 655 76 76 ALA N N 126.240 0.2 1 656 76 76 ALA H H 8.918 0.01 1 657 76 76 ALA CA C 47.970 0.2 1 658 76 76 ALA HA H 4.530 0.01 1 659 76 76 ALA CB C 19.786 0.2 1 660 77 77 GLU N N 122.942 0.2 1 661 77 77 GLU H H 8.348 0.01 1 662 77 77 GLU CA C 52.354 0.2 1 663 77 77 GLU HA H 4.818 0.01 1 664 77 77 GLU CB C 29.181 0.2 1 665 77 77 GLU HB2 H 1.768 0.01 1 666 77 77 GLU HB3 H 1.682 0.01 1 667 77 77 GLU CG C 33.565 0.2 1 668 77 77 GLU HG2 H 2.096 0.01 1 669 77 77 GLU HG3 H 2.032 0.01 1 670 78 78 PHE N N 119.682 0.2 1 671 78 78 PHE H H 8.937 0.01 1 672 78 78 PHE CA C 53.607 0.2 1 673 78 78 PHE HA H 5.233 0.01 1 674 78 78 PHE CB C 39.828 0.2 1 675 78 78 PHE HB2 H 2.837 0.01 1 676 78 78 PHE HB3 H 2.624 0.01 1 677 79 79 ASP N N 121.069 0.2 1 678 79 79 ASP H H 9.132 0.01 1 679 79 79 ASP CA C 52.041 0.2 1 680 79 79 ASP HA H 5.203 0.01 1 681 79 79 ASP CB C 40.454 0.2 1 682 79 79 ASP HB2 H 2.766 0.01 1 683 79 79 ASP HB3 H 2.369 0.01 1 684 80 80 ILE N N 119.026 0.2 1 685 80 80 ILE H H 8.121 0.01 1 686 80 80 ILE CA C 57.364 0.2 1 687 80 80 ILE HA H 4.797 0.01 1 688 80 80 ILE CB C 38.262 0.2 1 689 80 80 ILE HB H 1.106 0.01 1 690 80 80 ILE HG2 H 0.591 0.01 1 691 80 80 ILE CG2 C 15.402 0.2 1 692 80 80 ILE CG1 C 25.110 0.2 1 693 80 80 ILE HD1 H 0.491 0.01 1 694 80 80 ILE CD1 C 12.584 0.2 1 695 81 81 GLU N N 129.507 0.2 1 696 81 81 GLU H H 9.413 0.01 1 697 81 81 GLU HA H 4.773 0.01 1 698 81 81 GLU CB C 30.120 0.2 1 699 81 81 GLU HB2 H 1.930 0.01 1 700 81 81 GLU HB3 H 1.792 0.01 1 701 81 81 GLU CG C 33.565 0.2 1 702 81 81 GLU HG2 H 2.055 0.01 1 703 81 81 GLU HG3 H 2.055 0.01 1 704 81 81 GLU CA C 52.185 0.2 1 705 82 82 GLY N N 110.212 0.2 1 706 82 82 GLY H H 8.744 0.01 1 707 82 82 GLY CA C 42.646 0.2 1 708 82 82 GLY HA3 H 4.621 0.01 1 709 82 82 GLY HA2 H 3.671 0.01 1 710 83 83 MET N N 119.941 0.2 1 711 83 83 MET H H 9.032 0.01 1 712 83 83 MET HA H 4.656 0.01 1 713 83 83 MET HB2 H 2.418 0.01 1 714 83 83 MET HB3 H 1.480 0.01 1 715 83 83 MET HG2 H 1.889 0.01 1 716 83 83 MET HG3 H 1.814 0.01 1 717 83 83 MET CB C 31.580 0.2 1 718 83 83 MET CA C 55.493 0.2 1 719 84 84 THR N N 119.568 0.2 1 720 84 84 THR H H 10.609 0.01 1 721 84 84 THR CA C 59.557 0.2 1 722 84 84 THR HA H 4.668 0.01 1 723 84 84 THR CB C 67.875 0.2 1 724 84 84 THR HB H 4.280 0.01 1 725 84 84 THR HG2 H 1.185 0.01 1 726 85 85 CYS N N 118.834 0.2 1 727 85 85 CYS H H 8.501 0.01 1 728 85 85 CYS CA C 53.920 0.2 1 729 85 85 CYS HA H 4.765 0.01 1 730 85 85 CYS CB C 27.928 0.2 1 731 85 85 CYS HB2 H 3.301 0.01 1 732 85 85 CYS HB3 H 2.822 0.01 1 733 87 87 ALA N N 120.459 0.2 1 734 87 87 ALA H H 8.053 0.01 1 735 87 87 ALA HA H 3.999 0.01 1 736 87 87 ALA CB C 15.229 0.2 1 737 87 87 ALA CA C 52.526 0.2 1 738 88 88 CYS N N 122.271 0.2 1 739 88 88 CYS H H 7.773 0.01 1 740 88 88 CYS CA C 61.749 0.2 1 741 88 88 CYS HA H 3.750 0.01 1 742 88 88 CYS CB C 26.989 0.2 1 743 88 88 CYS HB2 H 3.209 0.01 1 744 88 88 CYS HB3 H 2.482 0.01 1 745 89 89 ALA N N 119.128 0.2 1 746 89 89 ALA H H 6.440 0.01 1 747 89 89 ALA CA C 52.354 0.2 1 748 89 89 ALA HA H 3.766 0.01 1 749 89 89 ALA CB C 16.028 0.2 1 750 90 90 ASN N N 115.223 0.2 1 751 90 90 ASN H H 7.366 0.01 1 752 90 90 ASN CA C 53.607 0.2 1 753 90 90 ASN HA H 4.365 0.01 1 754 90 90 ASN CB C 36.383 0.2 1 755 90 90 ASN HB2 H 2.700 0.01 1 756 90 90 ASN HB3 H 2.700 0.01 1 757 90 90 ASN ND2 N 112.339 0.2 1 758 90 90 ASN HD21 H 7.633 0.01 1 759 90 90 ASN HD22 H 6.885 0.01 1 760 91 91 ARG N N 119.926 0.2 1 761 91 91 ARG H H 7.926 0.01 1 762 91 91 ARG CA C 57.073 0.2 1 763 91 91 ARG HA H 3.894 0.01 1 764 91 91 ARG CB C 27.928 0.2 1 765 91 91 ARG HB2 H 2.004 0.01 1 766 91 91 ARG HB3 H 1.891 0.01 1 767 91 91 ARG CG C 24.797 0.2 1 768 91 91 ARG HG2 H 1.751 0.01 1 769 91 91 ARG HG3 H 1.581 0.01 1 770 91 91 ARG HD3 H 3.258 0.01 1 771 92 92 ILE N N 120.363 0.2 1 772 92 92 ILE H H 7.858 0.01 1 773 92 92 ILE CA C 63.314 0.2 1 774 92 92 ILE HA H 3.199 0.01 1 775 92 92 ILE CB C 36.070 0.2 1 776 92 92 ILE HB H 1.559 0.01 1 777 92 92 ILE HG2 H 0.461 0.01 1 778 92 92 ILE CG2 C 14.463 0.2 1 779 92 92 ILE CG1 C 28.241 0.2 1 780 92 92 ILE HG12 H 1.425 0.01 1 781 92 92 ILE HG13 H 0.288 0.01 1 782 92 92 ILE HD1 H 0.004 0.01 1 783 92 92 ILE CD1 C 11.018 0.2 1 784 93 93 GLU N N 119.588 0.2 1 785 93 93 GLU H H 8.279 0.01 1 786 93 93 GLU CA C 58.518 0.2 1 787 93 93 GLU HA H 3.942 0.01 1 788 93 93 GLU CB C 27.705 0.2 1 789 93 93 GLU HB2 H 2.306 0.01 1 790 93 93 GLU HB3 H 1.882 0.01 1 791 93 93 GLU CG C 32.939 0.2 1 792 93 93 GLU HG2 H 2.786 0.01 1 793 93 93 GLU HG3 H 2.007 0.01 1 794 94 94 LYS N N 116.040 0.2 1 795 94 94 LYS H H 8.169 0.01 1 796 94 94 LYS CA C 56.738 0.2 1 797 94 94 LYS HA H 3.792 0.01 1 798 94 94 LYS CB C 29.807 0.2 1 799 94 94 LYS HB2 H 1.827 0.01 1 800 94 94 LYS HB3 H 1.710 0.01 1 801 94 94 LYS CG C 22.918 0.2 1 802 94 94 LYS HG2 H 1.481 0.01 1 803 94 94 LYS HG3 H 1.305 0.01 1 804 94 94 LYS CD C 26.049 0.2 1 805 94 94 LYS HD2 H 1.628 0.01 1 806 94 94 LYS HD3 H 1.628 0.01 1 807 94 94 LYS HE2 H 3.044 0.01 1 808 94 94 LYS HE3 H 3.044 0.01 1 809 95 95 ARG N N 117.340 0.2 1 810 95 95 ARG H H 7.546 0.01 1 811 95 95 ARG CA C 54.233 0.2 1 812 95 95 ARG HA H 4.146 0.01 1 813 95 95 ARG HB2 H 1.579 0.01 1 814 95 95 ARG HB3 H 1.579 0.01 1 815 95 95 ARG CG C 22.605 0.2 1 816 95 95 ARG HG2 H 1.043 0.01 1 817 95 95 ARG HG3 H 1.043 0.01 1 818 95 95 ARG HD2 H 1.444 0.01 1 819 95 95 ARG HD3 H 1.444 0.01 1 820 95 95 ARG CB C 26.476 0.2 1 821 96 96 LEU N N 119.230 0.2 1 822 96 96 LEU H H 8.414 0.01 1 823 96 96 LEU CA C 55.172 0.2 1 824 96 96 LEU HA H 3.837 0.01 1 825 96 96 LEU CB C 39.515 0.2 1 826 96 96 LEU HB2 H 1.795 0.01 1 827 96 96 LEU HB3 H 0.848 0.01 1 828 96 96 LEU CG C 24.170 0.2 1 829 96 96 LEU HG H 0.440 0.01 1 830 96 96 LEU HD1 H 0.585 0.01 1 831 96 96 LEU HD2 H 0.539 0.01 1 832 96 96 LEU CD2 C 21.039 0.2 1 833 97 97 ASN N N 113.170 0.2 1 834 97 97 ASN H H 7.720 0.01 1 835 97 97 ASN CA C 52.667 0.2 1 836 97 97 ASN HA H 4.222 0.01 1 837 97 97 ASN CB C 36.696 0.2 1 838 97 97 ASN HB2 H 2.589 0.01 1 839 97 97 ASN HB3 H 2.589 0.01 1 840 97 97 ASN ND2 N 111.645 0.2 1 841 97 97 ASN HD21 H 6.722 0.01 1 842 97 97 ASN HD22 H 7.060 0.01 1 843 98 98 LYS N N 116.472 0.2 1 844 98 98 LYS H H 7.045 0.01 1 845 98 98 LYS CA C 53.607 0.2 1 846 98 98 LYS HA H 4.146 0.01 1 847 98 98 LYS CB C 30.433 0.2 1 848 98 98 LYS HB2 H 1.873 0.01 1 849 98 98 LYS HB3 H 1.728 0.01 1 850 98 98 LYS CG C 22.605 0.2 1 851 98 98 LYS HG2 H 1.503 0.01 1 852 98 98 LYS HG3 H 1.434 0.01 1 853 98 98 LYS HD2 H 1.543 0.01 1 854 98 98 LYS HD3 H 1.543 0.01 1 855 98 98 LYS HE3 H 2.825 0.01 1 856 99 99 ILE N N 123.254 0.2 1 857 99 99 ILE H H 7.334 0.01 1 858 99 99 ILE CA C 59.243 0.2 1 859 99 99 ILE HA H 3.822 0.01 1 860 99 99 ILE CB C 34.504 0.2 1 861 99 99 ILE HB H 1.922 0.01 1 862 99 99 ILE HG2 H 0.656 0.01 1 863 99 99 ILE CG2 C 13.523 0.2 1 864 99 99 ILE CG1 C 24.797 0.2 1 865 99 99 ILE HG12 H 1.665 0.01 1 866 99 99 ILE HG13 H 0.954 0.01 1 867 99 99 ILE HD1 H 0.595 0.01 1 868 99 99 ILE CD1 C 12.270 0.2 1 869 100 100 GLU N N 131.215 0.2 1 870 100 100 GLU H H 8.783 0.01 1 871 100 100 GLU CA C 56.112 0.2 1 872 100 100 GLU HA H 3.939 0.01 1 873 100 100 GLU CB C 26.049 0.2 1 874 100 100 GLU HB2 H 1.905 0.01 1 875 100 100 GLU HB3 H 1.905 0.01 1 876 100 100 GLU CG C 33.565 0.2 1 877 100 100 GLU HG2 H 2.212 0.01 1 878 100 100 GLU HG3 H 2.212 0.01 1 879 101 101 GLY N N 110.640 0.2 1 880 101 101 GLY H H 8.570 0.01 1 881 101 101 GLY CA C 42.646 0.2 1 882 101 101 GLY HA3 H 4.309 0.01 1 883 101 101 GLY HA2 H 3.882 0.01 1 884 102 102 VAL N N 123.312 0.2 1 885 102 102 VAL H H 7.918 0.01 1 886 102 102 VAL CA C 61.435 0.2 1 887 102 102 VAL HA H 3.910 0.01 1 888 102 102 VAL CB C 28.745 0.2 1 889 102 102 VAL HB H 2.262 0.01 1 890 102 102 VAL HG1 H 0.704 0.01 1 891 102 102 VAL HG2 H 0.578 0.01 1 892 102 102 VAL CG1 C 18.847 0.2 1 893 102 102 VAL CG2 C 18.847 0.2 1 894 103 103 ALA N N 131.313 0.2 1 895 103 103 ALA H H 9.099 0.01 1 896 103 103 ALA CA C 50.475 0.2 1 897 103 103 ALA HA H 4.341 0.01 1 898 103 103 ALA CB C 17.214 0.2 1 899 104 104 ASN N N 112.409 0.2 1 900 104 104 ASN H H 7.547 0.01 1 901 104 104 ASN HA H 4.698 0.01 1 902 104 104 ASN CB C 38.888 0.2 1 903 104 104 ASN HB2 H 2.778 0.01 1 904 104 104 ASN HB3 H 2.594 0.01 1 905 104 104 ASN ND2 N 114.569 0.2 1 906 104 104 ASN HD21 H 7.417 0.01 1 907 104 104 ASN HD22 H 6.958 0.01 1 908 104 104 ASN CA C 50.856 0.2 1 909 105 105 ALA N N 124.111 0.2 1 910 105 105 ALA H H 8.867 0.01 1 911 105 105 ALA CA C 47.970 0.2 1 912 105 105 ALA HA H 4.706 0.01 1 913 105 105 ALA CB C 18.220 0.2 1 914 106 106 PRO CD C 46.717 0.2 1 915 106 106 PRO CA C 59.557 0.2 1 916 106 106 PRO HA H 4.387 0.01 1 917 106 106 PRO CB C 27.928 0.2 1 918 106 106 PRO HB2 H 1.995 0.01 1 919 106 106 PRO HB3 H 1.861 0.01 1 920 106 106 PRO CG C 25.110 0.2 1 921 106 106 PRO HG2 H 1.854 0.01 1 922 106 106 PRO HG3 H 1.854 0.01 1 923 106 106 PRO HD2 H 3.823 0.01 1 924 106 106 PRO HD3 H 3.496 0.01 1 925 107 107 VAL N N 129.829 0.2 1 926 107 107 VAL H H 8.249 0.01 1 927 107 107 VAL CA C 59.870 0.2 1 928 107 107 VAL HA H 3.737 0.01 1 929 107 107 VAL CB C 29.494 0.2 1 930 107 107 VAL HB H 1.945 0.01 1 931 107 107 VAL HG1 H 0.808 0.01 1 932 107 107 VAL HG2 H 0.578 0.01 1 933 107 107 VAL CG1 C 18.847 0.2 1 934 107 107 VAL CG2 C 17.594 0.2 1 935 108 108 ASN N N 127.506 0.2 1 936 108 108 ASN H H 9.063 0.01 1 937 108 108 ASN CA C 48.596 0.2 1 938 108 108 ASN HA H 4.761 0.01 1 939 108 108 ASN CB C 35.645 0.2 1 940 108 108 ASN HB2 H 3.144 0.01 1 941 108 108 ASN HB3 H 2.428 0.01 1 942 108 108 ASN ND2 N 112.830 0.2 1 943 108 108 ASN HD21 H 7.680 0.01 1 944 108 108 ASN HD22 H 6.808 0.01 1 945 109 109 PHE N N 125.296 0.2 1 946 109 109 PHE H H 8.768 0.01 1 947 109 109 PHE CA C 58.304 0.2 1 948 109 109 PHE HA H 3.935 0.01 1 949 109 109 PHE CB C 36.696 0.2 1 950 109 109 PHE HB2 H 3.039 0.01 1 951 109 109 PHE HB3 H 2.831 0.01 1 952 110 110 ALA N N 119.845 0.2 1 953 110 110 ALA H H 8.116 0.01 1 954 110 110 ALA CA C 52.041 0.2 1 955 110 110 ALA HA H 3.577 0.01 1 956 110 110 ALA CB C 15.402 0.2 1 957 111 111 LEU N N 113.515 0.2 1 958 111 111 LEU H H 7.226 0.01 1 959 111 111 LEU CA C 51.101 0.2 1 960 111 111 LEU HA H 4.180 0.01 1 961 111 111 LEU CB C 39.202 0.2 1 962 111 111 LEU HB2 H 1.413 0.01 1 963 111 111 LEU HB3 H 1.241 0.01 1 964 111 111 LEU CG C 24.170 0.2 1 965 111 111 LEU HG H 1.438 0.01 1 966 111 111 LEU HD1 H 0.724 0.01 1 967 111 111 LEU HD2 H 0.651 0.01 1 968 111 111 LEU CD1 C 22.918 0.2 1 969 111 111 LEU CD2 C 19.160 0.2 1 970 112 112 GLU N N 116.954 0.2 1 971 112 112 GLU H H 7.699 0.01 1 972 112 112 GLU CA C 54.546 0.2 1 973 112 112 GLU HA H 3.313 0.01 1 974 112 112 GLU CB C 24.170 0.2 1 975 112 112 GLU HB2 H 2.290 0.01 1 976 112 112 GLU HB3 H 2.189 0.01 1 977 112 112 GLU CG C 35.131 0.2 1 978 112 112 GLU HG2 H 1.892 0.01 1 979 112 112 GLU HG3 H 1.746 0.01 1 980 113 113 THR N N 108.286 0.2 1 981 113 113 THR H H 7.714 0.01 1 982 113 113 THR CA C 56.911 0.2 1 983 113 113 THR HA H 5.483 0.01 1 984 113 113 THR CB C 70.517 0.2 1 985 113 113 THR HB H 4.142 0.01 1 986 113 113 THR HG2 H 1.103 0.01 1 987 113 113 THR CG2 C 18.534 0.2 1 988 114 114 VAL N N 116.904 0.2 1 989 114 114 VAL H H 8.581 0.01 1 990 114 114 VAL HA H 4.627 0.01 1 991 114 114 VAL CB C 31.675 0.2 1 992 114 114 VAL HB H 1.993 0.01 1 993 114 114 VAL HG1 H 0.649 0.01 1 994 114 114 VAL HG2 H 0.447 0.01 1 995 114 114 VAL CG1 C 16.655 0.2 1 996 114 114 VAL CG2 C 18.847 0.2 1 997 114 114 VAL CA C 57.499 0.2 1 998 115 115 THR N N 125.842 0.2 1 999 115 115 THR H H 7.838 0.01 1 1000 115 115 THR CA C 58.617 0.2 1 1001 115 115 THR HA H 5.081 0.01 1 1002 115 115 THR CB C 66.759 0.2 1 1003 115 115 THR HB H 3.873 0.01 1 1004 115 115 THR HG2 H 0.945 0.01 1 1005 115 115 THR CG2 C 18.847 0.2 1 1006 116 116 VAL N N 127.120 0.2 1 1007 116 116 VAL H H 9.316 0.01 1 1008 116 116 VAL HA H 4.582 0.01 1 1009 116 116 VAL CB C 31.373 0.2 1 1010 116 116 VAL HB H 2.082 0.01 1 1011 116 116 VAL HG1 H 0.988 0.01 1 1012 116 116 VAL HG2 H 0.923 0.01 1 1013 116 116 VAL CG1 C 20.412 0.2 1 1014 116 116 VAL CG2 C 20.412 0.2 1 1015 116 116 VAL CA C 58.352 0.2 1 1016 117 117 GLU N N 128.795 0.2 1 1017 117 117 GLU H H 8.715 0.01 1 1018 117 117 GLU CA C 51.728 0.2 1 1019 117 117 GLU HA H 5.466 0.01 1 1020 117 117 GLU CB C 28.554 0.2 1 1021 117 117 GLU HB2 H 1.960 0.01 1 1022 117 117 GLU HB3 H 1.804 0.01 1 1023 117 117 GLU CG C 33.252 0.2 1 1024 117 117 GLU HG2 H 2.075 0.01 1 1025 117 117 GLU HG3 H 2.075 0.01 1 1026 118 118 TYR N N 124.311 0.2 1 1027 118 118 TYR H H 9.466 0.01 1 1028 118 118 TYR CA C 52.354 0.2 1 1029 118 118 TYR HA H 5.449 0.01 1 1030 118 118 TYR CB C 39.202 0.2 1 1031 118 118 TYR HB2 H 2.721 0.01 1 1032 118 118 TYR HB3 H 2.575 0.01 1 1033 119 119 ASN N N 118.995 0.2 1 1034 119 119 ASN H H 8.727 0.01 1 1035 119 119 ASN HA H 4.967 0.01 1 1036 119 119 ASN HB2 H 3.168 0.01 1 1037 119 119 ASN HB3 H 3.092 0.01 1 1038 119 119 ASN ND2 N 113.685 0.2 1 1039 119 119 ASN HD21 H 8.092 0.01 1 1040 119 119 ASN HD22 H 7.957 0.01 1 1041 119 119 ASN CA C 46.806 0.2 1 1042 119 119 ASN CB C 35.928 0.2 1 1043 120 120 PRO CD C 48.596 0.2 1 1044 120 120 PRO CA C 60.809 0.2 1 1045 120 120 PRO HA H 5.233 0.01 1 1046 120 120 PRO CB C 29.807 0.2 1 1047 120 120 PRO HB2 H 2.164 0.01 1 1048 120 120 PRO HB3 H 2.087 0.01 1 1049 120 120 PRO CG C 24.170 0.2 1 1050 120 120 PRO HG2 H 1.854 0.01 1 1051 120 120 PRO HG3 H 1.854 0.01 1 1052 120 120 PRO HD2 H 4.115 0.01 1 1053 120 120 PRO HD3 H 3.744 0.01 1 1054 121 121 LYS N N 116.202 0.2 1 1055 121 121 LYS H H 7.732 0.01 1 1056 121 121 LYS CA C 53.293 0.2 1 1057 121 121 LYS HA H 4.239 0.01 1 1058 121 121 LYS CB C 29.123 0.2 1 1059 121 121 LYS HB2 H 1.901 0.01 1 1060 121 121 LYS HB3 H 1.803 0.01 1 1061 121 121 LYS CG C 22.605 0.2 1 1062 121 121 LYS HG2 H 1.372 0.01 1 1063 121 121 LYS HG3 H 1.301 0.01 1 1064 121 121 LYS CD C 26.049 0.2 1 1065 121 121 LYS HD2 H 1.575 0.01 1 1066 121 121 LYS HD3 H 1.482 0.01 1 1067 122 122 GLU N N 116.525 0.2 1 1068 122 122 GLU H H 7.648 0.01 1 1069 122 122 GLU CA C 53.734 0.2 1 1070 122 122 GLU HA H 4.330 0.01 1 1071 122 122 GLU CB C 30.257 0.2 1 1072 122 122 GLU HB2 H 2.029 0.01 1 1073 122 122 GLU HB3 H 1.715 0.01 1 1074 122 122 GLU CG C 33.565 0.2 1 1075 122 122 GLU HG2 H 2.212 0.01 1 1076 122 122 GLU HG3 H 1.956 0.01 1 1077 123 123 ALA N N 121.840 0.2 1 1078 123 123 ALA H H 8.045 0.01 1 1079 123 123 ALA CA C 48.283 0.2 1 1080 123 123 ALA HA H 4.688 0.01 1 1081 123 123 ALA CB C 18.847 0.2 1 1082 124 124 SER N N 112.201 0.2 1 1083 124 124 SER H H 8.397 0.01 1 1084 124 124 SER CA C 52.667 0.2 1 1085 124 124 SER HA H 4.933 0.01 1 1086 124 124 SER CB C 64.880 0.2 1 1087 124 124 SER HB2 H 4.079 0.01 1 1088 124 124 SER HB3 H 3.803 0.01 1 1089 125 125 VAL N N 120.226 0.2 1 1090 125 125 VAL H H 8.627 0.01 1 1091 125 125 VAL CA C 64.880 0.2 1 1092 125 125 VAL HA H 3.307 0.01 1 1093 125 125 VAL CB C 28.554 0.2 1 1094 125 125 VAL HB H 2.024 0.01 1 1095 125 125 VAL HG1 H 1.006 0.01 1 1096 125 125 VAL HG2 H 0.971 0.01 1 1097 125 125 VAL CG1 C 20.412 0.2 1 1098 125 125 VAL CG2 C 18.847 0.2 1 1099 126 126 SER N N 114.065 0.2 1 1100 126 126 SER H H 8.156 0.01 1 1101 126 126 SER CA C 59.557 0.2 1 1102 126 126 SER HA H 3.948 0.01 1 1103 126 126 SER CB C 59.557 0.2 1 1104 126 126 SER HB2 H 3.747 0.01 1 1105 126 126 SER HB3 H 3.747 0.01 1 1106 127 127 ASP N N 121.741 0.2 1 1107 127 127 ASP H H 7.522 0.01 1 1108 127 127 ASP CA C 54.859 0.2 1 1109 127 127 ASP HA H 4.185 0.01 1 1110 127 127 ASP CB C 38.262 0.2 1 1111 127 127 ASP HB2 H 2.889 0.01 1 1112 127 127 ASP HB3 H 2.519 0.01 1 1113 128 128 LEU N N 118.771 0.2 1 1114 128 128 LEU H H 7.332 0.01 1 1115 128 128 LEU CA C 54.859 0.2 1 1116 128 128 LEU HA H 3.499 0.01 1 1117 128 128 LEU CB C 37.636 0.2 1 1118 128 128 LEU HB2 H 1.771 0.01 1 1119 128 128 LEU HB3 H 0.639 0.01 1 1120 128 128 LEU CG C 22.605 0.2 1 1121 128 128 LEU HG H 0.315 0.01 1 1122 128 128 LEU HD1 H 0.512 0.01 1 1123 128 128 LEU HD2 H 0.369 0.01 1 1124 128 128 LEU CD1 C 21.039 0.2 1 1125 128 128 LEU CD2 C 20.099 0.2 1 1126 129 129 LYS N N 115.404 0.2 1 1127 129 129 LYS H H 7.876 0.01 1 1128 129 129 LYS CA C 57.678 0.2 1 1129 129 129 LYS HA H 3.487 0.01 1 1130 129 129 LYS CB C 30.433 0.2 1 1131 129 129 LYS HB2 H 1.898 0.01 1 1132 129 129 LYS HB3 H 1.701 0.01 1 1133 129 129 LYS CG C 22.918 0.2 1 1134 129 129 LYS HG2 H 1.520 0.01 1 1135 129 129 LYS HG3 H 1.209 0.01 1 1136 129 129 LYS CD C 27.615 0.2 1 1137 129 129 LYS HD2 H 1.659 0.01 1 1138 129 129 LYS HD3 H 1.659 0.01 1 1139 129 129 LYS CE C 38.888 0.2 1 1140 129 129 LYS HE2 H 2.877 0.01 1 1141 129 129 LYS HE3 H 2.877 0.01 1 1142 130 130 GLU N N 119.205 0.2 1 1143 130 130 GLU H H 8.245 0.01 1 1144 130 130 GLU HA H 4.217 0.01 1 1145 130 130 GLU CB C 26.676 0.2 1 1146 130 130 GLU HB2 H 2.038 0.01 1 1147 130 130 GLU HB3 H 1.880 0.01 1 1148 130 130 GLU CG C 33.565 0.2 1 1149 130 130 GLU HG2 H 2.315 0.01 1 1150 130 130 GLU HG3 H 2.146 0.01 1 1151 130 130 GLU CA C 56.576 0.2 1 1152 131 131 ALA N N 118.981 0.2 1 1153 131 131 ALA H H 7.374 0.01 1 1154 131 131 ALA CA C 52.041 0.2 1 1155 131 131 ALA HA H 3.941 0.01 1 1156 131 131 ALA CB C 15.402 0.2 1 1157 132 132 VAL N N 115.627 0.2 1 1158 132 132 VAL H H 7.144 0.01 1 1159 132 132 VAL CA C 63.628 0.2 1 1160 132 132 VAL HA H 3.497 0.01 1 1161 132 132 VAL CB C 29.181 0.2 1 1162 132 132 VAL HB H 1.789 0.01 1 1163 132 132 VAL HG1 H 0.757 0.01 1 1164 132 132 VAL HG2 H 0.730 0.01 1 1165 132 132 VAL CG1 C 21.978 0.2 1 1166 132 132 VAL CG2 C 20.412 0.2 1 1167 133 133 ASP N N 123.939 0.2 1 1168 133 133 ASP H H 8.399 0.01 1 1169 133 133 ASP CA C 54.233 0.2 1 1170 133 133 ASP HA H 4.876 0.01 1 1171 133 133 ASP CB C 38.888 0.2 1 1172 133 133 ASP HB2 H 2.779 0.01 1 1173 133 133 ASP HB3 H 2.657 0.01 1 1174 134 134 LYS N N 116.883 0.2 1 1175 134 134 LYS H H 7.560 0.01 1 1176 134 134 LYS HA H 3.958 0.01 1 1177 134 134 LYS CB C 29.494 0.2 1 1178 134 134 LYS HB2 H 1.952 0.01 1 1179 134 134 LYS HB3 H 1.792 0.01 1 1180 134 134 LYS CG C 22.918 0.2 1 1181 134 134 LYS HG2 H 1.448 0.01 1 1182 134 134 LYS HG3 H 1.448 0.01 1 1183 134 134 LYS HD2 H 1.575 0.01 1 1184 134 134 LYS HD3 H 1.575 0.01 1 1185 134 134 LYS CA C 55.616 0.2 1 1186 135 135 LEU N N 117.114 0.2 1 1187 135 135 LEU H H 7.344 0.01 1 1188 135 135 LEU HA H 4.164 0.01 1 1189 135 135 LEU CB C 41.081 0.2 1 1190 135 135 LEU HB2 H 2.041 0.01 1 1191 135 135 LEU HB3 H 1.753 0.01 1 1192 135 135 LEU CG C 23.231 0.2 1 1193 135 135 LEU HG H 0.836 0.01 1 1194 135 135 LEU HD1 H 0.785 0.01 1 1195 135 135 LEU HD2 H 0.739 0.01 1 1196 135 135 LEU CD1 C 20.726 0.2 1 1197 135 135 LEU CA C 52.277 0.2 1 1198 136 136 GLY N N 103.376 0.2 1 1199 136 136 GLY H H 7.611 0.01 1 1200 136 136 GLY CA C 41.707 0.2 1 1201 136 136 GLY HA3 H 3.881 0.01 1 1202 136 136 GLY HA2 H 3.504 0.01 1 1203 137 137 TYR N N 118.781 0.2 1 1204 137 137 TYR H H 6.975 0.01 1 1205 137 137 TYR CA C 52.667 0.2 1 1206 137 137 TYR HA H 4.892 0.01 1 1207 137 137 TYR CB C 37.323 0.2 1 1208 137 137 TYR HB2 H 3.089 0.01 1 1209 137 137 TYR HB3 H 2.125 0.01 1 1210 138 138 LYS N N 117.089 0.2 1 1211 138 138 LYS H H 8.025 0.01 1 1212 138 138 LYS HA H 4.731 0.01 1 1213 138 138 LYS CB C 33.565 0.2 1 1214 138 138 LYS HB2 H 1.601 0.01 1 1215 138 138 LYS HB3 H 1.542 0.01 1 1216 138 138 LYS CG C 21.978 0.2 1 1217 138 138 LYS HG2 H 1.259 0.01 1 1218 138 138 LYS HG3 H 1.125 0.01 1 1219 138 138 LYS CD C 26.676 0.2 1 1220 138 138 LYS HD2 H 1.567 0.01 1 1221 138 138 LYS HD3 H 1.484 0.01 1 1222 138 138 LYS CE C 39.515 0.2 1 1223 138 138 LYS HE2 H 3.102 0.01 1 1224 138 138 LYS HE3 H 3.102 0.01 1 1225 138 138 LYS CA C 52.312 0.2 1 1226 139 139 LEU N N 123.810 0.2 1 1227 139 139 LEU H H 8.816 0.01 1 1228 139 139 LEU CA C 50.475 0.2 1 1229 139 139 LEU HA H 4.884 0.01 1 1230 139 139 LEU CB C 40.767 0.2 1 1231 139 139 LEU HB2 H 1.158 0.01 1 1232 139 139 LEU HB3 H 1.056 0.01 1 1233 139 139 LEU CG C 22.918 0.2 1 1234 139 139 LEU HG H 1.106 0.01 1 1235 139 139 LEU HD1 H 0.077 0.01 1 1236 139 139 LEU CD1 C 21.039 0.2 1 1237 139 139 LEU CD2 C 21.039 0.2 1 1238 140 140 LYS N N 122.512 0.2 1 1239 140 140 LYS H H 8.913 0.01 1 1240 140 140 LYS HA H 4.597 0.01 1 1241 140 140 LYS CB C 31.999 0.2 1 1242 140 140 LYS HB2 H 1.739 0.01 1 1243 140 140 LYS HB3 H 1.603 0.01 1 1244 140 140 LYS CG C 21.352 0.2 1 1245 140 140 LYS HG2 H 1.217 0.01 1 1246 140 140 LYS HG3 H 1.059 0.01 1 1247 140 140 LYS CD C 26.362 0.2 1 1248 140 140 LYS HD2 H 1.542 0.01 1 1249 140 140 LYS HD3 H 1.542 0.01 1 1250 140 140 LYS HE2 H 2.775 0.01 1 1251 140 140 LYS HE3 H 2.775 0.01 1 1252 140 140 LYS CA C 52.064 0.2 1 1253 141 141 LEU N N 128.362 0.2 1 1254 141 141 LEU H H 9.010 0.01 1 1255 141 141 LEU CA C 52.980 0.2 1 1256 141 141 LEU HA H 3.961 0.01 1 1257 141 141 LEU CB C 39.828 0.2 1 1258 141 141 LEU HB2 H 1.584 0.01 1 1259 141 141 LEU HB3 H 1.261 0.01 1 1260 141 141 LEU CG C 24.483 0.2 1 1261 141 141 LEU HG H 1.422 0.01 1 1262 141 141 LEU HD1 H 0.563 0.01 1 1263 141 141 LEU HD2 H 0.514 0.01 1 1264 141 141 LEU CD1 C 22.918 0.2 1 1265 141 141 LEU CD2 C 21.665 0.2 1 1266 142 142 LYS N N 126.697 0.2 1 1267 142 142 LYS H H 8.435 0.01 1 1268 142 142 LYS CA C 54.859 0.2 1 1269 142 142 LYS HA H 3.989 0.01 1 1270 142 142 LYS CB C 29.494 0.2 1 1271 142 142 LYS HB2 H 1.587 0.01 1 1272 142 142 LYS HB3 H 1.463 0.01 1 1273 142 142 LYS HG2 H 1.225 0.01 1 1274 142 142 LYS HG3 H 1.225 0.01 1 1275 142 142 LYS CD C 26.362 0.2 1 1276 142 142 LYS HD2 H 1.426 0.01 1 1277 142 142 LYS HD3 H 1.426 0.01 1 1278 142 142 LYS CE C 38.888 0.2 1 1279 142 142 LYS HE2 H 2.768 0.01 1 1280 142 142 LYS HE3 H 2.768 0.01 1 1281 143 143 GLY N N 111.521 0.2 1 1282 143 143 GLY H H 8.587 0.01 1 1283 143 143 GLY CA C 42.959 0.2 1 1284 143 143 GLY HA3 H 3.966 0.01 1 1285 143 143 GLY HA2 H 3.725 0.01 1 1286 144 144 GLU N N 120.477 0.2 1 1287 144 144 GLU H H 7.892 0.01 1 1288 144 144 GLU CA C 54.233 0.2 1 1289 144 144 GLU HA H 4.158 0.01 1 1290 144 144 GLU CB C 27.615 0.2 1 1291 144 144 GLU HB2 H 1.902 0.01 1 1292 144 144 GLU HB3 H 1.902 0.01 1 1293 144 144 GLU CG C 33.878 0.2 1 1294 144 144 GLU HG2 H 2.142 0.01 1 1295 144 144 GLU HG3 H 2.142 0.01 1 1296 145 145 GLN N N 121.467 0.2 1 1297 145 145 GLN H H 8.473 0.01 1 1298 145 145 GLN CA C 52.980 0.2 1 1299 145 145 GLN HA H 4.262 0.01 1 1300 145 145 GLN CB C 26.676 0.2 1 1301 145 145 GLN HB2 H 2.025 0.01 1 1302 145 145 GLN HB3 H 1.894 0.01 1 1303 145 145 GLN CG C 30.747 0.2 1 1304 145 145 GLN HG2 H 2.280 0.01 1 1305 145 145 GLN HG3 H 2.280 0.01 1 1306 145 145 GLN NE2 N 112.292 0.2 1 1307 145 145 GLN HE21 H 7.477 0.01 1 1308 145 145 GLN HE22 H 6.749 0.01 1 1309 146 146 ASP N N 122.234 0.2 1 1310 146 146 ASP H H 8.335 0.01 1 1311 146 146 ASP CA C 51.744 0.2 1 1312 146 146 ASP HA H 4.688 0.01 1 1313 146 146 ASP CB C 38.262 0.2 1 1314 146 146 ASP HB2 H 2.615 0.01 1 1315 146 146 ASP HB3 H 2.499 0.01 1 1316 147 147 SER N N 121.018 0.2 1 1317 147 147 SER H H 7.812 0.01 1 1318 147 147 SER HA H 4.128 0.01 1 1319 147 147 SER CB C 62.110 0.2 1 1320 147 147 SER HB2 H 3.723 0.01 1 1321 147 147 SER HB3 H 3.723 0.01 1 1322 147 147 SER CA C 57.195 0.2 1 stop_ save_