data_15440 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the C-terminal domain of HasB from Serratia marcescens ; _BMRB_accession_number 15440 _BMRB_flat_file_name bmr15440.str _Entry_type original _Submission_date 2007-08-22 _Accession_date 2007-08-22 _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 Lefevre Julien . . 2 Simenel Catherine . . 3 Delepelaire Philippe . . 4 Delepierre Muriel . . 5 Izadi-Pruneyre Nadia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 753 "13C chemical shifts" 546 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2009-01-28 update author 'complete chemical shift table' 2008-01-30 update BMRB 'complete entry citation' 2007-08-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of the C-terminal domain of HasB, a specific TonB like protein, from Serratia marcescens' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636864 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lefevre Julien . . 2 Simenel Catherine . . 3 Delepelaire Philippe . . 4 Delepierre Muriel . . 5 Izadi-Pruneyre Nadia . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 199 _Year 2007 _Details . loop_ _Keyword HasB 'heme transport' 'NMR assignment' TonB stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HasB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HasB $HasB 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_HasB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HasB _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'ENERGY TRANSDUCER' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MKVQEQSVGAPPPGRADKTA APQTRLTPYAQAGEDNWRSR ISGRLNRFKRYPKDALRLKR QGVGQVRFTLDRQGHVLAVT LVSSAGLPSLDREIQALVKR ASPLPTPPADAYVNGTVELT LPIDFSLRGAGF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 GLN 5 GLU 6 GLN 7 SER 8 VAL 9 GLY 10 ALA 11 PRO 12 PRO 13 PRO 14 GLY 15 ARG 16 ALA 17 ASP 18 LYS 19 THR 20 ALA 21 ALA 22 PRO 23 GLN 24 THR 25 ARG 26 LEU 27 THR 28 PRO 29 TYR 30 ALA 31 GLN 32 ALA 33 GLY 34 GLU 35 ASP 36 ASN 37 TRP 38 ARG 39 SER 40 ARG 41 ILE 42 SER 43 GLY 44 ARG 45 LEU 46 ASN 47 ARG 48 PHE 49 LYS 50 ARG 51 TYR 52 PRO 53 LYS 54 ASP 55 ALA 56 LEU 57 ARG 58 LEU 59 LYS 60 ARG 61 GLN 62 GLY 63 VAL 64 GLY 65 GLN 66 VAL 67 ARG 68 PHE 69 THR 70 LEU 71 ASP 72 ARG 73 GLN 74 GLY 75 HIS 76 VAL 77 LEU 78 ALA 79 VAL 80 THR 81 LEU 82 VAL 83 SER 84 SER 85 ALA 86 GLY 87 LEU 88 PRO 89 SER 90 LEU 91 ASP 92 ARG 93 GLU 94 ILE 95 GLN 96 ALA 97 LEU 98 VAL 99 LYS 100 ARG 101 ALA 102 SER 103 PRO 104 LEU 105 PRO 106 THR 107 PRO 108 PRO 109 ALA 110 ASP 111 ALA 112 TYR 113 VAL 114 ASN 115 GLY 116 THR 117 VAL 118 GLU 119 LEU 120 THR 121 LEU 122 PRO 123 ILE 124 ASP 125 PHE 126 SER 127 LEU 128 ARG 129 GLY 130 ALA 131 GLY 132 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 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 2M2K "The Structure Of Hasb Ctd" 99.24 131 100.00 100.00 3.05e-87 EMBL CAE46937 "hasB [Serratia marcescens]" 99.24 263 100.00 100.00 1.87e-86 EMBL CDG10879 "TonB-like protein [Serratia marcescens subsp. marcescens Db11]" 99.24 263 99.24 99.24 2.05e-85 GB AGE16788 "hypothetical protein SMWW4_v1c09840 [Serratia marcescens WW4]" 99.24 263 98.47 99.24 7.00e-85 GB AIA50123 "hypothetical protein L085_23630 [Serratia sp. FS14]" 99.24 263 98.47 99.24 3.85e-85 GB ALD43843 "hypothetical protein AN479_05185 [Serratia marcescens]" 99.24 263 100.00 100.00 1.81e-86 GB ALL36754 "hypothetical protein AR325_07175 [Serratia marcescens]" 99.24 263 99.24 100.00 4.82e-86 GB EMF03481 "hypothetical protein F518_23595 [Serratia marcescens VGH107]" 99.24 263 98.47 99.24 2.07e-85 REF WP_004940473 "hypothetical protein [Serratia marcescens]" 99.24 263 98.47 99.24 2.07e-85 REF WP_015376815 "hypothetical protein [Serratia marcescens]" 99.24 263 98.47 99.24 7.00e-85 REF WP_016928895 "hypothetical protein [Serratia marcescens]" 99.24 263 99.24 99.24 7.29e-86 REF WP_021504696 "hypothetical protein [Serratia marcescens]" 99.24 263 98.47 99.24 2.21e-85 REF WP_025301729 "hypothetical protein [Serratia marcescens]" 99.24 263 99.24 99.24 2.05e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HasB 'Bacillus marcescens' 615 Bacteria . Serratia marcescens hasb 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 $HasB 'recombinant technology' . Escherichia coli JP313 pBAD24 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 $HasB 0.8 mM '[U-99% 13C; U-99% 15N]' 'Sodium Phosphate' 50 mM . NaCl 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'peak picking' 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 processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C 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_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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 293 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citation_1 $citation_1 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' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' 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 HasB _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 2 2 LYS HA H 4.377 0.100 1 2 2 2 LYS HB2 H 1.679 0.100 1 3 2 2 LYS HB3 H 1.679 0.100 1 4 2 2 LYS HD2 H 1.396 0.100 1 5 2 2 LYS HD3 H 1.396 0.100 1 6 2 2 LYS HE2 H 2.969 0.100 1 7 2 2 LYS HE3 H 2.969 0.100 1 8 2 2 LYS HG2 H 1.157 0.100 1 9 2 2 LYS HG3 H 1.157 0.100 1 10 2 2 LYS C C 176.271 0.300 1 11 2 2 LYS CA C 56.312 0.300 1 12 2 2 LYS CB C 33.271 0.300 1 13 2 2 LYS CD C 29.097 0.300 1 14 2 2 LYS CE C 41.995 0.300 1 15 2 2 LYS CG C 24.530 0.300 1 16 3 3 VAL H H 8.362 0.100 1 17 3 3 VAL HA H 4.031 0.100 1 18 3 3 VAL HB H 2.024 0.100 1 19 3 3 VAL HG1 H 0.923 0.100 1 20 3 3 VAL HG2 H 0.923 0.100 1 21 3 3 VAL C C 176.056 0.300 1 22 3 3 VAL CA C 62.429 0.300 1 23 3 3 VAL CB C 32.798 0.300 1 24 3 3 VAL CG1 C 20.606 0.300 2 25 3 3 VAL CG2 C 21.196 0.300 2 26 3 3 VAL N N 123.212 0.300 1 27 4 4 GLN H H 8.531 0.100 1 28 4 4 GLN HA H 4.301 0.100 1 29 4 4 GLN HB2 H 1.681 0.100 2 30 4 4 GLN HB3 H 1.410 0.100 2 31 4 4 GLN HE21 H 7.580 0.100 1 32 4 4 GLN HE22 H 6.885 0.100 1 33 4 4 GLN HG2 H 2.351 0.100 1 34 4 4 GLN HG3 H 2.351 0.100 1 35 4 4 GLN C C 175.805 0.300 1 36 4 4 GLN CA C 55.798 0.300 1 37 4 4 GLN CB C 29.494 0.300 1 38 4 4 GLN CD C 180.490 0.300 1 39 4 4 GLN CG C 33.757 0.300 1 40 4 4 GLN N N 124.648 0.300 1 41 4 4 GLN NE2 N 112.500 0.300 1 42 5 5 GLU H H 8.509 0.100 1 43 5 5 GLU HA H 4.230 0.100 1 44 5 5 GLU HB2 H 2.250 0.100 1 45 5 5 GLU HB3 H 2.250 0.100 1 46 5 5 GLU HG2 H 2.018 0.100 2 47 5 5 GLU HG3 H 1.927 0.100 2 48 5 5 GLU C C 175.380 0.300 1 49 5 5 GLU CA C 56.659 0.300 1 50 5 5 GLU CB C 30.448 0.300 1 51 5 5 GLU CG C 36.344 0.300 1 52 5 5 GLU N N 123.348 0.300 1 53 6 6 GLN H H 8.483 0.100 1 54 6 6 GLN HA H 4.333 0.100 1 55 6 6 GLN HB2 H 2.090 0.100 2 56 6 6 GLN HB3 H 2.357 0.100 2 57 6 6 GLN HE21 H 6.792 0.100 1 58 6 6 GLN HE22 H 7.549 0.100 1 59 6 6 GLN HG2 H 1.950 0.100 1 60 6 6 GLN HG3 H 1.950 0.100 1 61 6 6 GLN C C 175.904 0.300 1 62 6 6 GLN CA C 55.848 0.300 1 63 6 6 GLN CB C 29.647 0.300 1 64 6 6 GLN CD C 180.636 0.300 1 65 6 6 GLN CG C 33.792 0.300 1 66 6 6 GLN N N 121.537 0.300 1 67 6 6 GLN NE2 N 111.700 0.300 1 68 7 7 SER H H 8.434 0.100 1 69 7 7 SER HA H 4.449 0.100 1 70 7 7 SER HB2 H 3.830 0.100 1 71 7 7 SER HB3 H 3.830 0.100 1 72 7 7 SER C C 174.560 0.300 1 73 7 7 SER CA C 58.311 0.300 1 74 7 7 SER CB C 63.721 0.300 1 75 7 7 SER N N 117.712 0.300 1 76 8 8 VAL H H 8.218 0.100 1 77 8 8 VAL HA H 4.126 0.100 1 78 8 8 VAL HB H 2.087 0.100 1 79 8 8 VAL HG1 H 0.935 0.100 1 80 8 8 VAL HG2 H 0.935 0.100 1 81 8 8 VAL C C 176.635 0.300 1 82 8 8 VAL CA C 62.520 0.300 1 83 8 8 VAL CB C 32.761 0.300 1 84 8 8 VAL CG1 C 21.123 0.300 2 85 8 8 VAL CG2 C 20.397 0.300 2 86 8 8 VAL N N 121.897 0.300 1 87 9 9 GLY H H 8.435 0.100 1 88 9 9 GLY HA2 H 3.908 0.100 1 89 9 9 GLY HA3 H 3.908 0.100 1 90 9 9 GLY C C 173.270 0.300 1 91 9 9 GLY CA C 44.957 0.300 1 92 9 9 GLY N N 112.689 0.300 1 93 10 10 ALA H H 8.096 0.100 1 94 10 10 ALA HA H 4.570 0.100 1 95 10 10 ALA HB H 1.316 0.100 1 96 10 10 ALA CA C 50.408 0.300 1 97 10 10 ALA CB C 18.200 0.300 1 98 10 10 ALA N N 125.010 0.300 1 99 13 13 PRO HA H 4.393 0.100 1 100 13 13 PRO HB2 H 2.277 0.100 2 101 13 13 PRO HB3 H 1.914 0.100 2 102 13 13 PRO HD2 H 3.800 0.100 2 103 13 13 PRO HD3 H 3.626 0.100 2 104 13 13 PRO HG2 H 2.003 0.100 1 105 13 13 PRO HG3 H 2.003 0.100 1 106 13 13 PRO C C 177.606 0.300 1 107 13 13 PRO CA C 63.244 0.300 1 108 13 13 PRO CB C 32.150 0.300 1 109 13 13 PRO CD C 50.521 0.300 1 110 13 13 PRO CG C 27.361 0.300 1 111 14 14 GLY H H 8.458 0.100 1 112 14 14 GLY HA2 H 3.893 0.100 1 113 14 14 GLY HA3 H 3.893 0.100 1 114 14 14 GLY C C 174.102 0.300 1 115 14 14 GLY CA C 45.189 0.300 1 116 14 14 GLY N N 108.974 0.300 1 117 15 15 ARG H H 8.169 0.100 1 118 15 15 ARG HA H 4.315 0.100 1 119 15 15 ARG HB2 H 1.855 0.100 2 120 15 15 ARG HB3 H 1.730 0.100 2 121 15 15 ARG HD2 H 3.176 0.100 1 122 15 15 ARG HD3 H 3.176 0.100 1 123 15 15 ARG HG2 H 1.596 0.100 1 124 15 15 ARG HG3 H 1.596 0.100 1 125 15 15 ARG C C 176.206 0.300 1 126 15 15 ARG CA C 55.984 0.300 1 127 15 15 ARG CB C 31.000 0.300 1 128 15 15 ARG CD C 43.353 0.300 1 129 15 15 ARG CG C 26.897 0.300 1 130 15 15 ARG N N 120.707 0.300 1 131 16 16 ALA H H 8.435 0.100 1 132 16 16 ALA HA H 4.297 0.100 1 133 16 16 ALA HB H 1.347 0.100 1 134 16 16 ALA C C 177.331 0.300 1 135 16 16 ALA CA C 52.535 0.300 1 136 16 16 ALA CB C 19.254 0.300 1 137 16 16 ALA N N 125.487 0.300 1 138 17 17 ASP H H 8.290 0.100 1 139 17 17 ASP HA H 4.551 0.100 1 140 17 17 ASP HB2 H 2.664 0.100 2 141 17 17 ASP HB3 H 2.620 0.100 2 142 17 17 ASP C C 176.452 0.300 1 143 17 17 ASP CA C 54.187 0.300 1 144 17 17 ASP CB C 41.135 0.300 1 145 17 17 ASP N N 119.499 0.300 1 146 18 18 LYS H H 8.314 0.100 1 147 18 18 LYS HA H 4.328 0.100 1 148 18 18 LYS HB2 H 1.876 0.100 1 149 18 18 LYS HB3 H 1.876 0.100 1 150 18 18 LYS HD2 H 1.721 0.100 2 151 18 18 LYS HD3 H 1.666 0.100 2 152 18 18 LYS HE2 H 2.977 0.100 1 153 18 18 LYS HE3 H 2.977 0.100 1 154 18 18 LYS HG2 H 1.431 0.100 2 155 18 18 LYS HG3 H 1.410 0.100 2 156 18 18 LYS C C 176.816 0.300 1 157 18 18 LYS CA C 56.515 0.300 1 158 18 18 LYS CB C 32.795 0.300 1 159 18 18 LYS CD C 28.888 0.300 1 160 18 18 LYS CE C 42.410 0.300 1 161 18 18 LYS CG C 24.494 0.300 1 162 18 18 LYS N N 121.653 0.300 1 163 19 19 THR H H 8.170 0.100 1 164 19 19 THR HA H 4.225 0.100 1 165 19 19 THR HB H 4.177 0.100 1 166 19 19 THR HG2 H 1.191 0.100 1 167 19 19 THR C C 174.159 0.300 1 168 19 19 THR CA C 62.159 0.300 1 169 19 19 THR CB C 69.714 0.300 1 170 19 19 THR CG2 C 21.605 0.300 1 171 19 19 THR N N 114.957 0.300 1 172 20 20 ALA H H 8.194 0.100 1 173 20 20 ALA HA H 4.295 0.100 1 174 20 20 ALA HB H 1.340 0.100 1 175 20 20 ALA C C 176.940 0.300 1 176 20 20 ALA CA C 52.195 0.300 1 177 20 20 ALA CB C 19.434 0.300 1 178 20 20 ALA N N 126.681 0.300 1 179 21 21 ALA H H 8.266 0.100 1 180 21 21 ALA HA H 4.540 0.100 1 181 21 21 ALA HB H 1.335 0.100 1 182 21 21 ALA CA C 50.547 0.300 1 183 21 21 ALA CB C 18.082 0.300 1 184 21 21 ALA N N 125.124 0.300 1 185 22 22 PRO HA H 4.375 0.100 1 186 22 22 PRO HB2 H 2.274 0.100 2 187 22 22 PRO HB3 H 1.870 0.100 2 188 22 22 PRO HD2 H 3.780 0.100 2 189 22 22 PRO HD3 H 3.560 0.100 2 190 22 22 PRO HG2 H 2.009 0.100 1 191 22 22 PRO HG3 H 2.009 0.100 1 192 22 22 PRO C C 177.042 0.300 1 193 22 22 PRO CA C 63.199 0.300 1 194 22 22 PRO CB C 32.080 0.300 1 195 22 22 PRO CD C 50.564 0.300 1 196 22 22 PRO CG C 27.434 0.300 1 197 23 23 GLN H H 8.579 0.100 1 198 23 23 GLN HA H 4.329 0.100 1 199 23 23 GLN HB2 H 2.379 0.100 1 200 23 23 GLN HB3 H 2.379 0.100 1 201 23 23 GLN HG2 H 2.101 0.100 2 202 23 23 GLN HG3 H 1.981 0.100 2 203 23 23 GLN C C 176.254 0.300 1 204 23 23 GLN CA C 55.955 0.300 1 205 23 23 GLN CB C 29.497 0.300 1 206 23 23 GLN CG C 33.958 0.300 1 207 23 23 GLN N N 120.579 0.300 1 208 24 24 THR H H 8.194 0.100 1 209 24 24 THR HA H 4.138 0.100 1 210 24 24 THR HB H 3.903 0.100 1 211 24 24 THR HG2 H 1.164 0.100 1 212 24 24 THR C C 176.278 0.300 1 213 24 24 THR CA C 62.066 0.300 1 214 24 24 THR CB C 69.835 0.300 1 215 24 24 THR CG2 C 21.582 0.300 1 216 24 24 THR N N 116.036 0.300 1 217 25 25 ARG H H 8.376 0.100 1 218 25 25 ARG HA H 4.325 0.100 1 219 25 25 ARG HB2 H 1.730 0.100 1 220 25 25 ARG HB3 H 1.730 0.100 1 221 25 25 ARG HD2 H 3.144 0.100 1 222 25 25 ARG HD3 H 3.144 0.100 1 223 25 25 ARG HG2 H 1.590 0.100 1 224 25 25 ARG HG3 H 1.590 0.100 1 225 25 25 ARG C C 175.937 0.300 1 226 25 25 ARG CA C 56.120 0.300 1 227 25 25 ARG CB C 30.941 0.300 1 228 25 25 ARG CD C 43.472 0.300 1 229 25 25 ARG CG C 27.117 0.300 1 230 25 25 ARG N N 123.919 0.300 1 231 26 26 LEU H H 8.365 0.100 1 232 26 26 LEU HA H 4.374 0.100 1 233 26 26 LEU HB2 H 1.534 0.100 2 234 26 26 LEU HB3 H 1.588 0.100 2 235 26 26 LEU HD1 H 0.838 0.100 1 236 26 26 LEU HD2 H 0.838 0.100 1 237 26 26 LEU HG H 1.408 0.100 1 238 26 26 LEU C C 177.203 0.300 1 239 26 26 LEU CA C 55.076 0.300 1 240 26 26 LEU CB C 42.433 0.300 1 241 26 26 LEU CD1 C 23.232 0.300 2 242 26 26 LEU CD2 C 24.878 0.300 2 243 26 26 LEU CG C 26.903 0.300 1 244 26 26 LEU N N 123.550 0.300 1 245 27 27 THR H H 8.097 0.100 1 246 27 27 THR HA H 4.556 0.100 1 247 27 27 THR HB H 4.139 0.100 1 248 27 27 THR HG2 H 1.178 0.100 1 249 27 27 THR CA C 59.542 0.300 1 250 27 27 THR CB C 69.586 0.300 1 251 27 27 THR N N 116.750 0.300 1 252 28 28 PRO HA H 4.320 0.100 1 253 28 28 PRO HB2 H 2.178 0.100 2 254 28 28 PRO HB3 H 1.731 0.100 2 255 28 28 PRO HD2 H 3.766 0.100 2 256 28 28 PRO HD3 H 3.599 0.100 2 257 28 28 PRO HG2 H 1.887 0.100 1 258 28 28 PRO HG3 H 1.887 0.100 1 259 28 28 PRO C C 176.668 0.300 1 260 28 28 PRO CA C 63.429 0.300 1 261 28 28 PRO CB C 31.954 0.300 1 262 28 28 PRO CD C 50.700 0.300 1 263 28 28 PRO CG C 27.291 0.300 1 264 29 29 TYR H H 8.073 0.100 1 265 29 29 TYR HA H 4.468 0.100 1 266 29 29 TYR HB2 H 2.940 0.100 2 267 29 29 TYR HB3 H 3.014 0.100 2 268 29 29 TYR HD1 H 7.100 0.100 3 269 29 29 TYR HD2 H 7.100 0.100 3 270 29 29 TYR HE1 H 6.797 0.100 3 271 29 29 TYR HE2 H 6.797 0.100 3 272 29 29 TYR C C 175.620 0.300 1 273 29 29 TYR CA C 57.935 0.300 1 274 29 29 TYR CB C 38.840 0.300 1 275 29 29 TYR CD1 C 132.990 0.300 3 276 29 29 TYR CD2 C 132.990 0.300 3 277 29 29 TYR CE1 C 118.300 0.300 3 278 29 29 TYR CE2 C 118.300 0.300 3 279 29 29 TYR N N 119.981 0.300 1 280 30 30 ALA H H 8.086 0.100 1 281 30 30 ALA HA H 4.248 0.100 1 282 30 30 ALA HB H 1.311 0.100 1 283 30 30 ALA C C 177.322 0.300 1 284 30 30 ALA CA C 52.493 0.300 1 285 30 30 ALA CB C 19.495 0.300 1 286 30 30 ALA N N 125.661 0.300 1 287 31 31 GLN H H 8.245 0.100 1 288 31 31 GLN HA H 4.236 0.100 1 289 31 31 GLN HB2 H 2.075 0.100 2 290 31 31 GLN HB3 H 1.965 0.100 2 291 31 31 GLN HE21 H 6.879 0.100 1 292 31 31 GLN HE22 H 7.580 0.100 1 293 31 31 GLN HG2 H 2.360 0.100 2 294 31 31 GLN HG3 H 2.345 0.100 2 295 31 31 GLN C C 175.807 0.300 1 296 31 31 GLN CA C 55.856 0.300 1 297 31 31 GLN CB C 29.375 0.300 1 298 31 31 GLN CD C 180.430 0.300 1 299 31 31 GLN CG C 33.894 0.300 1 300 31 31 GLN N N 119.736 0.300 1 301 31 31 GLN NE2 N 112.102 0.300 1 302 32 32 ALA H H 8.362 0.100 1 303 32 32 ALA HA H 4.301 0.100 1 304 32 32 ALA HB H 1.387 0.100 1 305 32 32 ALA C C 178.294 0.300 1 306 32 32 ALA CA C 52.900 0.300 1 307 32 32 ALA CB C 19.258 0.300 1 308 32 32 ALA N N 125.239 0.300 1 309 33 33 GLY H H 8.386 0.100 1 310 33 33 GLY HA2 H 3.953 0.100 1 311 33 33 GLY HA3 H 3.953 0.100 1 312 33 33 GLY C C 174.490 0.300 1 313 33 33 GLY CA C 45.493 0.300 1 314 33 33 GLY N N 108.255 0.300 1 315 34 34 GLU H H 8.282 0.100 1 316 34 34 GLU HA H 4.242 0.100 1 317 34 34 GLU HB2 H 1.932 0.100 1 318 34 34 GLU HB3 H 1.932 0.100 1 319 34 34 GLU HG2 H 2.249 0.100 1 320 34 34 GLU HG3 H 2.249 0.100 1 321 34 34 GLU C C 176.436 0.300 1 322 34 34 GLU CA C 56.966 0.300 1 323 34 34 GLU CB C 30.426 0.300 1 324 34 34 GLU CG C 36.369 0.300 1 325 34 34 GLU N N 120.684 0.300 1 326 35 35 ASP H H 8.508 0.100 1 327 35 35 ASP HA H 4.570 0.100 1 328 35 35 ASP HB2 H 2.700 0.100 1 329 35 35 ASP HB3 H 2.700 0.100 1 330 35 35 ASP CA C 54.616 0.300 1 331 35 35 ASP CB C 41.114 0.300 1 332 35 35 ASP N N 121.058 0.300 1 333 36 36 ASN H H 8.556 0.100 1 334 36 36 ASN HA H 4.287 0.100 1 335 36 36 ASN HB2 H 2.950 0.100 2 336 36 36 ASN HB3 H 2.200 0.100 2 337 36 36 ASN HD21 H 6.830 0.100 1 338 36 36 ASN HD22 H 6.670 0.100 1 339 36 36 ASN C C 176.220 0.300 1 340 36 36 ASN CA C 56.210 0.300 1 341 36 36 ASN CB C 32.920 0.300 1 342 36 36 ASN N N 121.687 0.300 1 343 36 36 ASN ND2 N 114.480 0.300 1 344 37 37 TRP H H 8.265 0.100 1 345 37 37 TRP HA H 4.533 0.100 1 346 37 37 TRP HB2 H 3.360 0.100 2 347 37 37 TRP HB3 H 3.290 0.100 2 348 37 37 TRP HD1 H 7.496 0.100 1 349 37 37 TRP HE1 H 10.500 0.100 1 350 37 37 TRP HE3 H 6.939 0.100 1 351 37 37 TRP HH2 H 7.270 0.100 1 352 37 37 TRP HZ2 H 7.476 0.100 1 353 37 37 TRP HZ3 H 7.090 0.100 1 354 37 37 TRP CA C 55.225 0.300 1 355 37 37 TRP CB C 30.950 0.300 1 356 37 37 TRP CD1 C 127.990 0.300 1 357 37 37 TRP CE3 C 121.740 0.300 1 358 37 37 TRP CH2 C 120.178 0.300 1 359 37 37 TRP CZ2 C 114.550 0.300 1 360 37 37 TRP CZ3 C 124.240 0.300 1 361 37 37 TRP N N 124.338 0.300 1 362 37 37 TRP NE1 N 131.224 0.300 1 363 38 38 ARG H H 8.203 0.100 1 364 38 38 ARG HA H 4.811 0.100 1 365 38 38 ARG HB2 H 2.020 0.100 2 366 38 38 ARG HB3 H 1.860 0.100 2 367 38 38 ARG HD2 H 3.400 0.100 2 368 38 38 ARG HD3 H 2.807 0.100 2 369 38 38 ARG HG2 H 1.377 0.100 1 370 38 38 ARG HG3 H 1.377 0.100 1 371 38 38 ARG C C 178.894 0.300 1 372 38 38 ARG CA C 60.431 0.300 1 373 38 38 ARG CB C 27.649 0.300 1 374 38 38 ARG CD C 43.094 0.300 1 375 38 38 ARG CG C 29.143 0.300 1 376 39 39 SER H H 7.735 0.100 1 377 39 39 SER HA H 4.230 0.100 1 378 39 39 SER HB2 H 3.914 0.100 2 379 39 39 SER HB3 H 3.706 0.100 2 380 39 39 SER C C 178.030 0.300 1 381 39 39 SER CA C 61.013 0.300 1 382 39 39 SER CB C 62.373 0.300 1 383 39 39 SER N N 115.319 0.300 1 384 40 40 ARG H H 8.024 0.100 1 385 40 40 ARG HA H 4.198 0.100 1 386 40 40 ARG HB2 H 2.283 0.100 1 387 40 40 ARG HB3 H 2.283 0.100 1 388 40 40 ARG HD2 H 3.790 0.100 2 389 40 40 ARG HD3 H 3.570 0.100 2 390 40 40 ARG HG2 H 1.640 0.100 1 391 40 40 ARG HG3 H 1.640 0.100 1 392 40 40 ARG CA C 59.731 0.300 1 393 40 40 ARG CB C 30.782 0.300 1 394 40 40 ARG N N 122.491 0.300 1 395 41 41 ILE H H 8.280 0.100 1 396 41 41 ILE HA H 3.646 0.100 1 397 41 41 ILE HB H 2.364 0.100 1 398 41 41 ILE HD1 H 1.138 0.100 1 399 41 41 ILE HG12 H 1.148 0.100 1 400 41 41 ILE HG13 H 1.148 0.100 1 401 41 41 ILE HG2 H 0.995 0.100 1 402 41 41 ILE C C 177.117 0.300 1 403 41 41 ILE CA C 66.873 0.300 1 404 41 41 ILE CB C 37.713 0.300 1 405 41 41 ILE CD1 C 14.754 0.300 1 406 41 41 ILE CG1 C 24.740 0.300 1 407 41 41 ILE CG2 C 18.163 0.300 1 408 42 42 SER H H 8.255 0.100 1 409 42 42 SER HA H 4.619 0.100 1 410 42 42 SER HB2 H 3.965 0.100 1 411 42 42 SER HB3 H 3.965 0.100 1 412 42 42 SER C C 176.891 0.300 1 413 42 42 SER CA C 62.548 0.300 1 414 42 42 SER CB C 62.550 0.300 1 415 42 42 SER N N 115.788 0.300 1 416 43 43 GLY H H 8.432 0.100 1 417 43 43 GLY HA2 H 3.942 0.100 2 418 43 43 GLY HA3 H 3.899 0.100 2 419 43 43 GLY C C 176.056 0.300 1 420 43 43 GLY CA C 47.142 0.300 1 421 43 43 GLY N N 107.991 0.300 1 422 44 44 ARG H H 7.638 0.100 1 423 44 44 ARG HA H 4.265 0.100 1 424 44 44 ARG HB2 H 2.062 0.100 2 425 44 44 ARG HB3 H 1.950 0.100 2 426 44 44 ARG HD2 H 3.577 0.100 1 427 44 44 ARG HD3 H 3.577 0.100 1 428 44 44 ARG HG2 H 1.649 0.100 1 429 44 44 ARG HG3 H 1.649 0.100 1 430 44 44 ARG C C 178.101 0.300 1 431 44 44 ARG CA C 59.263 0.300 1 432 44 44 ARG CB C 29.492 0.300 1 433 44 44 ARG CD C 43.739 0.300 1 434 44 44 ARG CG C 29.500 0.300 1 435 44 44 ARG N N 122.848 0.300 1 436 45 45 LEU H H 8.266 0.100 1 437 45 45 LEU HA H 3.835 0.100 1 438 45 45 LEU HB2 H 1.940 0.100 2 439 45 45 LEU HB3 H 1.860 0.100 2 440 45 45 LEU HD1 H 0.700 0.100 2 441 45 45 LEU HD2 H 0.537 0.100 2 442 45 45 LEU HG H 1.159 0.100 1 443 45 45 LEU C C 179.218 0.300 1 444 45 45 LEU CA C 58.400 0.300 1 445 45 45 LEU CB C 40.553 0.300 1 446 45 45 LEU CD1 C 23.900 0.300 2 447 45 45 LEU CD2 C 24.210 0.300 2 448 45 45 LEU CG C 26.656 0.300 1 449 45 45 LEU N N 116.871 0.300 1 450 46 46 ASN H H 8.151 0.100 1 451 46 46 ASN HA H 4.391 0.100 1 452 46 46 ASN HB2 H 2.833 0.100 1 453 46 46 ASN HB3 H 2.833 0.100 1 454 46 46 ASN HD21 H 7.790 0.100 1 455 46 46 ASN HD22 H 7.705 0.100 1 456 46 46 ASN C C 177.728 0.300 1 457 46 46 ASN CA C 56.309 0.300 1 458 46 46 ASN CB C 38.318 0.300 1 459 46 46 ASN N N 114.585 0.300 1 460 46 46 ASN ND2 N 113.520 0.300 1 461 47 47 ARG H H 7.662 0.100 1 462 47 47 ARG HA H 4.098 0.100 1 463 47 47 ARG HB2 H 1.974 0.100 2 464 47 47 ARG HB3 H 1.863 0.100 2 465 47 47 ARG HD2 H 3.060 0.100 2 466 47 47 ARG HD3 H 2.900 0.100 2 467 47 47 ARG HG2 H 1.640 0.100 2 468 47 47 ARG HG3 H 1.349 0.100 2 469 47 47 ARG HH21 H 7.450 0.100 1 470 47 47 ARG C C 177.345 0.300 1 471 47 47 ARG CA C 58.434 0.300 1 472 47 47 ARG CB C 30.069 0.300 1 473 47 47 ARG CD C 43.659 0.300 1 474 47 47 ARG CG C 27.289 0.300 1 475 47 47 ARG N N 118.782 0.300 1 476 48 48 PHE H H 7.469 0.100 1 477 48 48 PHE HA H 4.372 0.100 1 478 48 48 PHE HB2 H 3.114 0.100 2 479 48 48 PHE HB3 H 2.770 0.100 2 480 48 48 PHE HD1 H 7.420 0.100 3 481 48 48 PHE HD2 H 7.420 0.100 3 482 48 48 PHE HE1 H 7.228 0.100 3 483 48 48 PHE HE2 H 7.228 0.100 3 484 48 48 PHE C C 174.691 0.300 1 485 48 48 PHE CA C 59.167 0.300 1 486 48 48 PHE CB C 41.374 0.300 1 487 48 48 PHE CD1 C 131.741 0.300 3 488 48 48 PHE CD2 C 131.741 0.300 3 489 48 48 PHE CE1 C 131.116 0.300 3 490 48 48 PHE CE2 C 131.116 0.300 3 491 48 48 PHE N N 115.676 0.300 1 492 49 49 LYS H H 7.155 0.100 1 493 49 49 LYS HA H 4.060 0.100 1 494 49 49 LYS HB2 H 1.930 0.100 2 495 49 49 LYS HB3 H 1.786 0.100 2 496 49 49 LYS HD2 H 1.710 0.100 1 497 49 49 LYS HD3 H 1.710 0.100 1 498 49 49 LYS HE2 H 3.101 0.100 1 499 49 49 LYS HE3 H 3.101 0.100 1 500 49 49 LYS HG2 H 1.247 0.100 1 501 49 49 LYS HG3 H 1.247 0.100 1 502 49 49 LYS C C 175.132 0.300 1 503 49 49 LYS CA C 58.011 0.300 1 504 49 49 LYS CB C 33.798 0.300 1 505 49 49 LYS CD C 29.898 0.300 1 506 49 49 LYS CE C 40.851 0.300 1 507 49 49 LYS CG C 23.603 0.300 1 508 49 49 LYS N N 123.811 0.300 1 509 50 50 ARG H H 9.208 0.100 1 510 50 50 ARG HA H 4.676 0.100 1 511 50 50 ARG HB2 H 1.693 0.100 1 512 50 50 ARG HB3 H 1.693 0.100 1 513 50 50 ARG HD2 H 3.170 0.100 2 514 50 50 ARG HD3 H 3.090 0.100 2 515 50 50 ARG HG2 H 1.577 0.100 1 516 50 50 ARG HG3 H 1.577 0.100 1 517 50 50 ARG HH21 H 5.900 0.100 1 518 50 50 ARG HH22 H 6.200 0.100 1 519 50 50 ARG C C 174.243 0.300 1 520 50 50 ARG CA C 54.313 0.300 1 521 50 50 ARG CB C 32.200 0.300 1 522 50 50 ARG CD C 43.918 0.300 1 523 50 50 ARG CG C 26.783 0.300 1 524 50 50 ARG N N 130.028 0.300 1 525 51 51 TYR H H 8.714 0.100 1 526 51 51 TYR HA H 4.817 0.100 1 527 51 51 TYR HB2 H 3.224 0.100 2 528 51 51 TYR HB3 H 2.796 0.100 2 529 51 51 TYR HD1 H 7.140 0.100 3 530 51 51 TYR HD2 H 7.140 0.100 3 531 51 51 TYR HE1 H 6.635 0.100 3 532 51 51 TYR HE2 H 6.635 0.100 3 533 51 51 TYR CA C 56.436 0.300 1 534 51 51 TYR CB C 39.844 0.300 1 535 51 51 TYR CD1 C 131.741 0.300 3 536 51 51 TYR CD2 C 131.741 0.300 3 537 51 51 TYR CE1 C 117.991 0.300 3 538 51 51 TYR CE2 C 117.991 0.300 3 539 51 51 TYR N N 126.649 0.300 1 540 52 52 PRO HA H 4.396 0.100 1 541 52 52 PRO HB2 H 1.840 0.100 2 542 52 52 PRO HB3 H 1.547 0.100 2 543 52 52 PRO HD2 H 3.964 0.100 1 544 52 52 PRO HD3 H 3.964 0.100 1 545 52 52 PRO HG2 H 1.759 0.100 1 546 52 52 PRO HG3 H 1.759 0.100 1 547 52 52 PRO C C 177.246 0.300 1 548 52 52 PRO CA C 63.223 0.300 1 549 52 52 PRO CB C 32.790 0.300 1 550 52 52 PRO CG C 27.836 0.300 1 551 53 53 LYS H H 8.834 0.100 1 552 53 53 LYS HA H 3.934 0.100 1 553 53 53 LYS HB2 H 1.878 0.100 2 554 53 53 LYS HB3 H 1.709 0.100 2 555 53 53 LYS HD2 H 1.692 0.100 1 556 53 53 LYS HD3 H 1.692 0.100 1 557 53 53 LYS HE2 H 3.290 0.100 2 558 53 53 LYS HE3 H 2.860 0.100 2 559 53 53 LYS HG2 H 1.520 0.100 1 560 53 53 LYS HG3 H 1.520 0.100 1 561 53 53 LYS C C 174.694 0.300 1 562 53 53 LYS CA C 59.727 0.300 1 563 53 53 LYS CB C 32.561 0.300 1 564 53 53 LYS CD C 29.046 0.300 1 565 53 53 LYS CE C 42.000 0.300 1 566 53 53 LYS CG C 24.964 0.300 1 567 53 53 LYS N N 122.608 0.300 1 568 54 54 ASP H H 8.654 0.100 1 569 54 54 ASP HA H 4.254 0.100 1 570 54 54 ASP HB2 H 2.757 0.100 2 571 54 54 ASP HB3 H 2.588 0.100 2 572 54 54 ASP C C 177.424 0.300 1 573 54 54 ASP CA C 56.432 0.300 1 574 54 54 ASP CB C 38.664 0.300 1 575 54 54 ASP N N 118.540 0.300 1 576 55 55 ALA H H 7.445 0.100 1 577 55 55 ALA HA H 3.769 0.100 1 578 55 55 ALA HB H 1.370 0.100 1 579 55 55 ALA C C 178.711 0.300 1 580 55 55 ALA CA C 54.657 0.300 1 581 55 55 ALA CB C 18.820 0.300 1 582 55 55 ALA N N 124.052 0.300 1 583 56 56 LEU H H 8.024 0.100 1 584 56 56 LEU HA H 3.750 0.100 1 585 56 56 LEU HB2 H 1.619 0.100 2 586 56 56 LEU HB3 H 1.410 0.100 2 587 56 56 LEU HD1 H 0.611 0.100 2 588 56 56 LEU HD2 H 0.418 0.100 2 589 56 56 LEU HG H 1.481 0.100 1 590 56 56 LEU C C 180.232 0.300 1 591 56 56 LEU CA C 58.056 0.300 1 592 56 56 LEU CB C 42.176 0.300 1 593 56 56 LEU CD1 C 24.718 0.300 2 594 56 56 LEU CD2 C 23.686 0.300 2 595 56 56 LEU CG C 22.959 0.300 1 596 56 56 LEU N N 117.832 0.300 1 597 57 57 ARG H H 7.951 0.100 1 598 57 57 ARG HA H 3.990 0.100 1 599 57 57 ARG HB2 H 1.910 0.100 1 600 57 57 ARG HB3 H 1.910 0.100 1 601 57 57 ARG HD2 H 3.192 0.100 1 602 57 57 ARG HD3 H 3.192 0.100 1 603 57 57 ARG HG2 H 1.668 0.100 2 604 57 57 ARG HG3 H 1.602 0.100 2 605 57 57 ARG C C 178.333 0.300 1 606 57 57 ARG CA C 58.955 0.300 1 607 57 57 ARG CB C 29.900 0.300 1 608 57 57 ARG CD C 43.368 0.300 1 609 57 57 ARG CG C 27.392 0.300 1 610 57 57 ARG N N 120.463 0.300 1 611 58 58 LEU H H 7.808 0.100 1 612 58 58 LEU HA H 4.182 0.100 1 613 58 58 LEU HB2 H 1.611 0.100 1 614 58 58 LEU HB3 H 1.611 0.100 1 615 58 58 LEU HD1 H 0.837 0.100 1 616 58 58 LEU HD2 H 0.837 0.100 1 617 58 58 LEU HG H 1.594 0.100 1 618 58 58 LEU C C 175.752 0.300 1 619 58 58 LEU CA C 54.905 0.300 1 620 58 58 LEU CB C 43.260 0.300 1 621 58 58 LEU CD1 C 22.189 0.300 1 622 58 58 LEU CD2 C 22.189 0.300 1 623 58 58 LEU CG C 25.148 0.300 1 624 58 58 LEU N N 117.345 0.300 1 625 59 59 LYS H H 7.856 0.100 1 626 59 59 LYS HA H 3.564 0.100 1 627 59 59 LYS HB2 H 1.647 0.100 1 628 59 59 LYS HB3 H 1.647 0.100 1 629 59 59 LYS HD2 H 1.604 0.100 1 630 59 59 LYS HD3 H 1.604 0.100 1 631 59 59 LYS HE2 H 2.951 0.100 2 632 59 59 LYS HE3 H 2.935 0.100 2 633 59 59 LYS HG2 H 1.358 0.100 2 634 59 59 LYS HG3 H 1.261 0.100 2 635 59 59 LYS C C 175.380 0.300 1 636 59 59 LYS CA C 57.243 0.300 1 637 59 59 LYS CB C 29.257 0.300 1 638 59 59 LYS CD C 28.963 0.300 1 639 59 59 LYS CE C 42.681 0.300 1 640 59 59 LYS CG C 24.938 0.300 1 641 59 59 LYS N N 117.827 0.300 1 642 60 60 ARG H H 8.507 0.100 1 643 60 60 ARG HA H 4.537 0.100 1 644 60 60 ARG HB2 H 1.769 0.100 1 645 60 60 ARG HB3 H 1.769 0.100 1 646 60 60 ARG HD2 H 3.283 0.100 1 647 60 60 ARG HD3 H 3.283 0.100 1 648 60 60 ARG HG2 H 1.565 0.100 1 649 60 60 ARG HG3 H 1.565 0.100 1 650 60 60 ARG C C 175.066 0.300 1 651 60 60 ARG CA C 54.085 0.300 1 652 60 60 ARG CB C 30.906 0.300 1 653 60 60 ARG CD C 41.738 0.300 1 654 60 60 ARG CG C 26.671 0.300 1 655 60 60 ARG N N 118.551 0.300 1 656 61 61 GLN H H 8.627 0.100 1 657 61 61 GLN HA H 4.614 0.100 1 658 61 61 GLN HB2 H 2.220 0.100 1 659 61 61 GLN HB3 H 2.220 0.100 1 660 61 61 GLN HE21 H 7.008 0.100 1 661 61 61 GLN HE22 H 7.751 0.100 1 662 61 61 GLN HG2 H 2.370 0.100 1 663 61 61 GLN HG3 H 2.370 0.100 1 664 61 61 GLN C C 174.923 0.300 1 665 61 61 GLN CA C 54.399 0.300 1 666 61 61 GLN CB C 32.786 0.300 1 667 61 61 GLN CD C 180.840 0.300 1 668 61 61 GLN CG C 34.922 0.300 1 669 61 61 GLN N N 123.095 0.300 1 670 61 61 GLN NE2 N 111.988 0.300 1 671 62 62 GLY H H 8.435 0.100 1 672 62 62 GLY HA2 H 4.379 0.100 2 673 62 62 GLY HA3 H 4.184 0.100 2 674 62 62 GLY C C 170.525 0.300 1 675 62 62 GLY CA C 46.192 0.300 1 676 62 62 GLY N N 107.546 0.300 1 677 63 63 VAL H H 8.459 0.100 1 678 63 63 VAL HA H 5.104 0.100 1 679 63 63 VAL HB H 1.996 0.100 1 680 63 63 VAL HG1 H 0.890 0.100 1 681 63 63 VAL HG2 H 0.890 0.100 1 682 63 63 VAL C C 175.604 0.300 1 683 63 63 VAL CA C 60.602 0.300 1 684 63 63 VAL CB C 34.551 0.300 1 685 63 63 VAL CG1 C 21.169 0.300 2 686 63 63 VAL CG2 C 20.491 0.300 2 687 63 63 VAL N N 119.025 0.300 1 688 64 64 GLY H H 8.531 0.100 1 689 64 64 GLY HA2 H 4.595 0.100 2 690 64 64 GLY HA3 H 3.510 0.100 2 691 64 64 GLY C C 172.230 0.300 1 692 64 64 GLY CA C 43.134 0.300 1 693 64 64 GLY N N 112.686 0.300 1 694 65 65 GLN H H 8.411 0.100 1 695 65 65 GLN HA H 5.220 0.100 1 696 65 65 GLN HB2 H 2.200 0.100 1 697 65 65 GLN HB3 H 2.200 0.100 1 698 65 65 GLN HE21 H 7.334 0.100 1 699 65 65 GLN HE22 H 6.630 0.100 1 700 65 65 GLN HG2 H 1.880 0.100 1 701 65 65 GLN HG3 H 1.880 0.100 1 702 65 65 GLN C C 174.443 0.300 1 703 65 65 GLN CA C 55.136 0.300 1 704 65 65 GLN CB C 32.907 0.300 1 705 65 65 GLN CD C 179.041 0.300 1 706 65 65 GLN CG C 33.886 0.300 1 707 65 65 GLN N N 116.038 0.300 1 708 65 65 GLN NE2 N 109.267 0.300 1 709 66 66 VAL H H 9.158 0.100 1 710 66 66 VAL HA H 5.004 0.100 1 711 66 66 VAL HB H 1.813 0.100 1 712 66 66 VAL HG1 H 1.038 0.100 2 713 66 66 VAL HG2 H 1.025 0.100 2 714 66 66 VAL C C 169.851 0.300 1 715 66 66 VAL CA C 58.837 0.300 1 716 66 66 VAL CB C 36.868 0.300 1 717 66 66 VAL CG1 C 23.310 0.300 2 718 66 66 VAL CG2 C 19.032 0.300 2 719 66 66 VAL N N 124.291 0.300 1 720 67 67 ARG H H 9.136 0.100 1 721 67 67 ARG HA H 5.797 0.100 1 722 67 67 ARG HB2 H 1.566 0.100 1 723 67 67 ARG HB3 H 1.566 0.100 1 724 67 67 ARG HD2 H 2.566 0.100 1 725 67 67 ARG HD3 H 2.566 0.100 1 726 67 67 ARG HG2 H 1.329 0.100 1 727 67 67 ARG HG3 H 1.329 0.100 1 728 67 67 ARG C C 176.405 0.300 1 729 67 67 ARG CA C 53.494 0.300 1 730 67 67 ARG CB C 34.081 0.300 1 731 67 67 ARG CD C 44.173 0.300 1 732 67 67 ARG CG C 26.774 0.300 1 733 67 67 ARG N N 128.587 0.300 1 734 68 68 PHE H H 8.907 0.100 1 735 68 68 PHE HA H 5.676 0.100 1 736 68 68 PHE HB2 H 3.355 0.100 2 737 68 68 PHE HB3 H 3.215 0.100 2 738 68 68 PHE HD1 H 6.883 0.100 3 739 68 68 PHE HD2 H 6.883 0.100 3 740 68 68 PHE HE1 H 7.010 0.100 3 741 68 68 PHE HE2 H 7.010 0.100 3 742 68 68 PHE HZ H 7.010 0.100 1 743 68 68 PHE C C 172.789 0.300 1 744 68 68 PHE CA C 55.013 0.300 1 745 68 68 PHE CB C 42.439 0.300 1 746 68 68 PHE CD1 C 132.370 0.300 3 747 68 68 PHE CD2 C 132.370 0.300 3 748 68 68 PHE CE1 C 129.866 0.300 3 749 68 68 PHE CE2 C 129.866 0.300 3 750 68 68 PHE CZ C 128.929 0.300 1 751 68 68 PHE N N 122.241 0.300 1 752 69 69 THR H H 8.145 0.100 1 753 69 69 THR HA H 5.513 0.100 1 754 69 69 THR HB H 3.914 0.100 1 755 69 69 THR HG2 H 1.210 0.100 1 756 69 69 THR C C 174.356 0.300 1 757 69 69 THR CA C 60.086 0.300 1 758 69 69 THR CB C 71.129 0.300 1 759 69 69 THR CG2 C 22.488 0.300 1 760 69 69 THR N N 114.003 0.300 1 761 70 70 LEU H H 9.087 0.100 1 762 70 70 LEU HA H 5.758 0.100 1 763 70 70 LEU HB2 H 1.991 0.100 2 764 70 70 LEU HB3 H 1.812 0.100 2 765 70 70 LEU HD1 H 0.950 0.100 2 766 70 70 LEU HD2 H 0.983 0.100 2 767 70 70 LEU HG H 1.620 0.100 1 768 70 70 LEU C C 177.474 0.300 1 769 70 70 LEU CA C 52.633 0.300 1 770 70 70 LEU CB C 46.318 0.300 1 771 70 70 LEU CD1 C 26.304 0.300 2 772 70 70 LEU CD2 C 24.545 0.300 2 773 70 70 LEU CG C 26.600 0.300 1 774 70 70 LEU N N 123.569 0.300 1 775 71 71 ASP H H 8.049 0.100 1 776 71 71 ASP HA H 5.353 0.100 1 777 71 71 ASP HB2 H 2.859 0.100 2 778 71 71 ASP HB3 H 3.749 0.100 2 779 71 71 ASP C C 181.241 0.300 1 780 71 71 ASP CA C 52.211 0.300 1 781 71 71 ASP CB C 41.611 0.300 1 782 71 71 ASP N N 118.069 0.100 1 783 72 72 ARG H H 8.486 0.100 1 784 72 72 ARG HA H 4.537 0.100 1 785 72 72 ARG HB2 H 1.620 0.100 1 786 72 72 ARG HB3 H 1.620 0.100 1 787 72 72 ARG HD2 H 3.606 0.100 1 788 72 72 ARG HD3 H 3.606 0.100 1 789 72 72 ARG HG2 H 1.408 0.100 1 790 72 72 ARG HG3 H 1.408 0.100 1 791 72 72 ARG C C 176.461 0.100 1 792 72 72 ARG CA C 58.192 0.100 1 793 72 72 ARG CB C 29.544 0.100 1 794 72 72 ARG CD C 41.868 0.100 1 795 72 72 ARG CG C 27.357 0.100 1 796 72 72 ARG N N 119.072 0.100 1 797 73 73 GLN H H 8.024 0.100 1 798 73 73 GLN HA H 4.380 0.100 1 799 73 73 GLN HB2 H 1.965 0.100 1 800 73 73 GLN HB3 H 1.965 0.100 1 801 73 73 GLN HG2 H 2.303 0.100 2 802 73 73 GLN HG3 H 2.140 0.100 2 803 73 73 GLN C C 175.500 0.100 1 804 73 73 GLN CA C 55.496 0.100 1 805 73 73 GLN CB C 29.614 0.100 1 806 73 73 GLN CG C 35.053 0.100 1 807 73 73 GLN N N 116.396 0.100 1 808 74 74 GLY H H 7.856 0.100 1 809 74 74 GLY HA2 H 4.745 0.100 2 810 74 74 GLY HA3 H 3.261 0.100 2 811 74 74 GLY C C 174.032 0.100 1 812 74 74 GLY CA C 45.960 0.100 1 813 74 74 GLY N N 108.015 0.100 1 814 75 75 HIS H H 8.628 0.100 1 815 75 75 HIS HA H 4.251 0.100 1 816 75 75 HIS HB2 H 3.118 0.100 1 817 75 75 HIS HB3 H 3.118 0.100 1 818 75 75 HIS HD2 H 7.238 0.100 1 819 75 75 HIS HE1 H 8.366 0.100 1 820 75 75 HIS C C 175.830 0.100 1 821 75 75 HIS CA C 57.305 0.100 1 822 75 75 HIS CB C 29.249 0.100 1 823 75 75 HIS CD2 C 118.928 0.100 1 824 75 75 HIS CE1 C 135.804 0.100 1 825 75 75 HIS N N 121.300 0.100 1 826 76 76 VAL H H 8.142 0.100 1 827 76 76 VAL HA H 4.325 0.100 1 828 76 76 VAL HB H 1.820 0.100 1 829 76 76 VAL HG1 H 0.900 0.100 2 830 76 76 VAL HG2 H 0.750 0.100 2 831 76 76 VAL C C 176.972 0.100 1 832 76 76 VAL CA C 62.425 0.100 1 833 76 76 VAL CB C 32.615 0.100 1 834 76 76 VAL CG1 C 21.430 0.100 2 835 76 76 VAL CG2 C 22.360 0.100 2 836 76 76 VAL N N 122.663 0.100 1 837 77 77 LEU H H 9.184 0.100 1 838 77 77 LEU HA H 4.406 0.100 1 839 77 77 LEU HB2 H 1.571 0.100 1 840 77 77 LEU HB3 H 1.571 0.100 1 841 77 77 LEU HD1 H 0.911 0.100 2 842 77 77 LEU HD2 H 0.791 0.100 2 843 77 77 LEU HG H 1.742 0.100 1 844 77 77 LEU C C 177.059 0.100 1 845 77 77 LEU CA C 55.259 0.100 1 846 77 77 LEU CB C 42.899 0.100 1 847 77 77 LEU CD1 C 25.165 0.100 2 848 77 77 LEU CD2 C 22.071 0.100 2 849 77 77 LEU CG C 26.055 0.100 1 850 77 77 LEU N N 129.304 0.100 1 851 78 78 ALA H H 7.421 0.100 1 852 78 78 ALA HA H 4.528 0.100 1 853 78 78 ALA HB H 1.382 0.100 1 854 78 78 ALA C C 175.354 0.100 1 855 78 78 ALA CA C 52.314 0.100 1 856 78 78 ALA CB C 22.045 0.100 1 857 78 78 ALA N N 119.985 0.100 1 858 79 79 VAL H H 8.338 0.100 1 859 79 79 VAL HA H 4.856 0.100 1 860 79 79 VAL HB H 1.961 0.100 1 861 79 79 VAL HG1 H 0.997 0.100 2 862 79 79 VAL HG2 H 0.897 0.100 2 863 79 79 VAL C C 174.773 0.100 1 864 79 79 VAL CA C 61.948 0.100 1 865 79 79 VAL CB C 35.661 0.100 1 866 79 79 VAL CG1 C 22.761 0.100 2 867 79 79 VAL CG2 C 21.500 0.100 2 868 79 79 VAL N N 119.022 0.100 1 869 80 80 THR H H 9.545 0.100 1 870 80 80 THR HA H 4.568 0.100 1 871 80 80 THR HB H 3.796 0.100 1 872 80 80 THR HG2 H 1.110 0.100 1 873 80 80 THR C C 172.546 0.100 1 874 80 80 THR CA C 61.609 0.100 1 875 80 80 THR CB C 71.731 0.100 1 876 80 80 THR CG2 C 21.360 0.100 1 877 80 80 THR N N 123.095 0.100 1 878 81 81 LEU H H 8.942 0.100 1 879 81 81 LEU HA H 4.415 0.100 1 880 81 81 LEU HB2 H 1.928 0.100 1 881 81 81 LEU HB3 H 1.928 0.100 1 882 81 81 LEU HD1 H 0.974 0.100 2 883 81 81 LEU HD2 H 0.830 0.100 2 884 81 81 LEU HG H 1.164 0.100 1 885 81 81 LEU C C 175.736 0.100 1 886 81 81 LEU CA C 55.571 0.100 1 887 81 81 LEU CB C 42.964 0.100 1 888 81 81 LEU CD1 C 21.790 0.100 2 889 81 81 LEU CD2 C 24.173 0.100 2 890 81 81 LEU CG C 25.955 0.100 1 891 81 81 LEU N N 128.590 0.100 1 892 82 82 VAL H H 8.604 0.100 1 893 82 82 VAL HA H 4.041 0.100 1 894 82 82 VAL HB H 1.659 0.100 1 895 82 82 VAL HG1 H 0.840 0.100 2 896 82 82 VAL HG2 H 0.832 0.100 2 897 82 82 VAL C C 175.956 0.100 1 898 82 82 VAL CA C 63.745 0.100 1 899 82 82 VAL CB C 33.023 0.100 1 900 82 82 VAL CG1 C 22.983 0.100 2 901 82 82 VAL CG2 C 20.926 0.100 2 902 82 82 VAL N N 127.875 0.100 1 903 83 83 SER H H 7.686 0.100 1 904 83 83 SER HA H 4.607 0.100 1 905 83 83 SER HB2 H 3.727 0.100 2 906 83 83 SER HB3 H 3.449 0.100 2 907 83 83 SER C C 172.756 0.100 1 908 83 83 SER CA C 57.641 0.100 1 909 83 83 SER CB C 64.785 0.100 1 910 83 83 SER N N 113.045 0.100 1 911 84 84 SER H H 8.411 0.100 1 912 84 84 SER HA H 4.497 0.100 1 913 84 84 SER HB2 H 3.966 0.100 2 914 84 84 SER HB3 H 3.624 0.100 2 915 84 84 SER C C 176.095 0.100 1 916 84 84 SER CA C 55.130 0.100 1 917 84 84 SER CB C 64.309 0.100 1 918 84 84 SER N N 116.480 0.100 1 919 85 85 ALA H H 10.679 0.100 1 920 85 85 ALA HA H 4.480 0.100 1 921 85 85 ALA HB H 1.212 0.100 1 922 85 85 ALA C C 178.351 0.100 1 923 85 85 ALA CA C 52.315 0.100 1 924 85 85 ALA CB C 20.261 0.100 1 925 85 85 ALA N N 131.463 0.100 1 926 86 86 GLY H H 9.086 0.100 1 927 86 86 GLY HA2 H 4.157 0.100 2 928 86 86 GLY HA3 H 3.602 0.100 2 929 86 86 GLY C C 173.068 0.100 1 930 86 86 GLY CA C 45.607 0.100 1 931 86 86 GLY N N 104.914 0.100 1 932 87 87 LEU H H 6.672 0.100 1 933 87 87 LEU HA H 4.844 0.100 1 934 87 87 LEU HB2 H 1.743 0.100 2 935 87 87 LEU HB3 H 1.954 0.100 2 936 87 87 LEU HD1 H 0.870 0.100 2 937 87 87 LEU HD2 H 0.712 0.100 2 938 87 87 LEU HG H 1.550 0.100 1 939 87 87 LEU CA C 52.397 0.100 1 940 87 87 LEU CB C 47.005 0.100 1 941 87 87 LEU CD1 C 26.420 0.100 2 942 87 87 LEU CD2 C 25.480 0.100 2 943 87 87 LEU CG C 27.350 0.100 1 944 87 87 LEU N N 118.310 0.100 1 945 88 88 PRO HA H 4.310 0.100 1 946 88 88 PRO HB2 H 1.840 0.100 1 947 88 88 PRO HB3 H 1.840 0.100 1 948 88 88 PRO HD2 H 4.411 0.100 2 949 88 88 PRO HD3 H 4.027 0.100 2 950 88 88 PRO HG2 H 1.661 0.100 1 951 88 88 PRO HG3 H 1.661 0.100 1 952 88 88 PRO C C 175.953 0.100 1 953 88 88 PRO CA C 63.600 0.100 1 954 88 88 PRO CB C 37.446 0.100 1 955 88 88 PRO CD C 54.463 0.100 1 956 88 88 PRO CG C 22.657 0.100 1 957 89 89 SER H H 7.694 0.100 1 958 89 89 SER HA H 4.620 0.100 1 959 89 89 SER HB2 H 3.650 0.100 2 960 89 89 SER HB3 H 3.760 0.100 2 961 89 89 SER C C 178.532 0.100 1 962 89 89 SER CA C 60.770 0.100 1 963 89 89 SER CB C 60.170 0.100 1 964 89 89 SER N N 113.400 0.100 1 965 90 90 LEU H H 6.673 0.100 1 966 90 90 LEU HA H 3.521 0.100 1 967 90 90 LEU HB2 H 1.730 0.100 2 968 90 90 LEU HB3 H 1.618 0.100 2 969 90 90 LEU HD1 H 0.325 0.100 2 970 90 90 LEU HD2 H -0.568 0.100 2 971 90 90 LEU HG H 0.717 0.100 1 972 90 90 LEU C C 177.093 0.100 1 973 90 90 LEU CA C 57.190 0.100 1 974 90 90 LEU CB C 40.789 0.100 1 975 90 90 LEU CD1 C 24.545 0.100 2 976 90 90 LEU CD2 C 20.100 0.100 2 977 90 90 LEU CG C 25.500 0.100 1 978 90 90 LEU N N 122.851 0.100 1 979 91 91 ASP H H 7.494 0.100 1 980 91 91 ASP HA H 4.453 0.100 1 981 91 91 ASP HB2 H 2.620 0.100 1 982 91 91 ASP HB3 H 2.620 0.100 1 983 91 91 ASP C C 179.624 0.100 1 984 91 91 ASP CA C 57.984 0.100 1 985 91 91 ASP CB C 39.604 0.100 1 986 91 91 ASP N N 121.659 0.100 1 987 92 92 ARG H H 8.399 0.100 1 988 92 92 ARG HA H 4.063 0.100 1 989 92 92 ARG HB2 H 1.551 0.100 1 990 92 92 ARG HB3 H 1.551 0.100 1 991 92 92 ARG HD2 H 3.260 0.100 2 992 92 92 ARG HD3 H 3.140 0.100 2 993 92 92 ARG HG2 H 1.838 0.100 1 994 92 92 ARG HG3 H 1.838 0.100 1 995 92 92 ARG C C 179.145 0.100 1 996 92 92 ARG CA C 59.614 0.100 1 997 92 92 ARG CB C 30.673 0.100 1 998 92 92 ARG CD C 43.462 0.100 1 999 92 92 ARG CG C 27.707 0.100 1 1000 92 92 ARG N N 120.544 0.100 1 1001 93 93 GLU H H 7.686 0.100 1 1002 93 93 GLU HA H 4.709 0.100 1 1003 93 93 GLU HB2 H 2.124 0.100 2 1004 93 93 GLU HB3 H 2.030 0.100 2 1005 93 93 GLU HG2 H 2.308 0.100 1 1006 93 93 GLU HG3 H 2.308 0.100 1 1007 93 93 GLU C C 177.293 0.100 1 1008 93 93 GLU CA C 58.082 0.100 1 1009 93 93 GLU CB C 27.949 0.100 1 1010 93 93 GLU CG C 35.483 0.100 1 1011 93 93 GLU N N 122.251 0.100 1 1012 94 94 ILE H H 8.604 0.100 1 1013 94 94 ILE HA H 3.561 0.100 1 1014 94 94 ILE HB H 1.717 0.100 1 1015 94 94 ILE HD1 H 0.810 0.100 1 1016 94 94 ILE HG12 H 0.975 0.100 1 1017 94 94 ILE HG13 H 0.975 0.100 1 1018 94 94 ILE HG2 H 0.990 0.100 1 1019 94 94 ILE C C 175.526 0.100 1 1020 94 94 ILE CA C 67.126 0.100 1 1021 94 94 ILE CB C 37.385 0.100 1 1022 94 94 ILE CD1 C 17.967 0.100 1 1023 94 94 ILE CG1 C 30.510 0.100 1 1024 94 94 ILE CG2 C 14.200 0.100 1 1025 94 94 ILE N N 119.264 0.100 1 1026 95 95 GLN H H 6.834 0.100 1 1027 95 95 GLN HA H 3.885 0.100 1 1028 95 95 GLN HB2 H 2.250 0.173 2 1029 95 95 GLN HB3 H 2.061 0.100 2 1030 95 95 GLN HE21 H 7.096 0.100 1 1031 95 95 GLN HE22 H 7.150 0.100 1 1032 95 95 GLN HG2 H 2.547 0.345 2 1033 95 95 GLN HG3 H 2.543 0.100 2 1034 95 95 GLN C C 176.917 0.100 1 1035 95 95 GLN CA C 58.915 0.100 1 1036 95 95 GLN CB C 30.200 0.100 1 1037 95 95 GLN CD C 179.267 0.100 1 1038 95 95 GLN CG C 36.489 0.100 1 1039 95 95 GLN N N 112.391 0.100 1 1040 95 95 GLN NE2 N 111.271 0.100 1 1041 96 96 ALA H H 8.178 0.100 1 1042 96 96 ALA HA H 3.998 0.100 1 1043 96 96 ALA HB H 1.455 0.100 1 1044 96 96 ALA C C 181.125 0.100 1 1045 96 96 ALA CA C 54.676 0.100 1 1046 96 96 ALA CB C 19.149 0.100 1 1047 96 96 ALA N N 120.750 0.100 1 1048 97 97 LEU H H 9.448 0.100 1 1049 97 97 LEU HA H 3.882 0.100 1 1050 97 97 LEU HB2 H 2.212 0.100 2 1051 97 97 LEU HB3 H 2.160 0.100 2 1052 97 97 LEU HD1 H 0.883 0.100 1 1053 97 97 LEU HD2 H 0.883 0.100 1 1054 97 97 LEU HG H 1.685 0.100 1 1055 97 97 LEU C C 176.942 0.100 1 1056 97 97 LEU CA C 58.124 0.100 1 1057 97 97 LEU CB C 40.891 0.100 1 1058 97 97 LEU CD1 C 24.755 0.100 2 1059 97 97 LEU CD2 C 22.983 0.100 2 1060 97 97 LEU CG C 27.174 0.100 1 1061 97 97 LEU N N 121.177 0.100 1 1062 98 98 VAL H H 6.745 0.100 1 1063 98 98 VAL HA H 3.083 0.100 1 1064 98 98 VAL HB H 1.790 0.100 1 1065 98 98 VAL HG1 H 0.886 0.100 2 1066 98 98 VAL HG2 H 0.293 0.100 2 1067 98 98 VAL C C 176.265 0.100 1 1068 98 98 VAL CA C 66.191 0.100 1 1069 98 98 VAL CB C 31.700 0.100 1 1070 98 98 VAL CG1 C 22.243 0.100 2 1071 98 98 VAL CG2 C 22.358 0.100 2 1072 98 98 VAL N N 116.396 0.100 1 1073 99 99 LYS H H 6.383 0.100 1 1074 99 99 LYS HA H 3.789 0.100 1 1075 99 99 LYS HB2 H 1.875 0.100 1 1076 99 99 LYS HB3 H 1.875 0.100 1 1077 99 99 LYS HD2 H 1.650 0.100 2 1078 99 99 LYS HD3 H 1.620 0.100 2 1079 99 99 LYS HE2 H 2.650 0.100 2 1080 99 99 LYS HE3 H 2.671 0.100 2 1081 99 99 LYS HG2 H 1.404 0.100 2 1082 99 99 LYS HG3 H 1.324 0.100 2 1083 99 99 LYS C C 174.487 0.100 1 1084 99 99 LYS CA C 59.252 0.100 1 1085 99 99 LYS CB C 32.675 0.100 1 1086 99 99 LYS CD C 29.229 0.100 1 1087 99 99 LYS CE C 41.184 0.100 1 1088 99 99 LYS CG C 25.748 0.100 1 1089 99 99 LYS N N 113.041 0.100 1 1090 100 100 ARG H H 8.254 0.100 1 1091 100 100 ARG HA H 3.892 0.100 1 1092 100 100 ARG HB2 H 2.007 0.100 1 1093 100 100 ARG HB3 H 2.007 0.100 1 1094 100 100 ARG HD2 H 3.523 0.100 1 1095 100 100 ARG HD3 H 3.523 0.100 1 1096 100 100 ARG HG2 H 1.690 0.100 1 1097 100 100 ARG HG3 H 1.690 0.100 1 1098 100 100 ARG C C 176.490 0.100 1 1099 100 100 ARG CA C 58.548 0.100 1 1100 100 100 ARG CB C 31.376 0.100 1 1101 100 100 ARG CD C 43.648 0.100 1 1102 100 100 ARG CG C 27.428 0.100 1 1103 100 100 ARG N N 120.701 0.100 1 1104 101 101 ALA H H 7.324 0.100 1 1105 101 101 ALA HA H 4.785 0.100 1 1106 101 101 ALA HB H 0.955 0.100 1 1107 101 101 ALA C C 175.201 0.100 1 1108 101 101 ALA CA C 51.246 0.100 1 1109 101 101 ALA CB C 20.668 0.100 1 1110 101 101 ALA N N 117.353 0.100 1 1111 102 102 SER H H 6.624 0.100 1 1112 102 102 SER HA H 4.030 0.100 1 1113 102 102 SER HB2 H 3.784 0.100 1 1114 102 102 SER HB3 H 3.784 0.100 1 1115 102 102 SER CA C 56.917 0.100 1 1116 102 102 SER CB C 63.959 0.100 1 1117 102 102 SER N N 112.570 0.100 1 1118 103 103 PRO HA H 5.030 0.100 1 1119 103 103 PRO HB2 H 1.791 0.100 2 1120 103 103 PRO HB3 H 1.565 0.100 2 1121 103 103 PRO HD2 H 3.700 0.100 2 1122 103 103 PRO HD3 H 3.420 0.100 2 1123 103 103 PRO HG2 H 1.502 0.100 1 1124 103 103 PRO HG3 H 1.502 0.100 1 1125 103 103 PRO C C 175.172 0.100 1 1126 103 103 PRO CA C 62.191 0.100 1 1127 103 103 PRO CB C 33.960 0.100 1 1128 103 103 PRO CD C 50.803 0.100 1 1129 103 103 PRO CG C 28.164 0.100 1 1130 104 104 LEU H H 8.991 0.100 1 1131 104 104 LEU HA H 5.020 0.100 1 1132 104 104 LEU HB2 H 1.780 0.100 2 1133 104 104 LEU HB3 H 1.550 0.100 2 1134 104 104 LEU HD1 H 0.718 0.100 1 1135 104 104 LEU HD2 H 0.718 0.100 1 1136 104 104 LEU CA C 52.074 0.100 1 1137 104 104 LEU CB C 41.956 0.100 1 1138 104 104 LEU CD1 C 24.858 0.100 1 1139 104 104 LEU CD2 C 24.858 0.100 1 1140 104 104 LEU N N 121.889 0.100 1 1141 105 105 PRO HA H 4.306 0.100 1 1142 105 105 PRO HB2 H 2.428 0.100 2 1143 105 105 PRO HB3 H 1.950 0.100 2 1144 105 105 PRO HD2 H 3.630 0.100 2 1145 105 105 PRO HD3 H 3.790 0.100 2 1146 105 105 PRO HG2 H 1.844 0.100 2 1147 105 105 PRO HG3 H 1.740 0.100 2 1148 105 105 PRO C C 179.105 0.100 1 1149 105 105 PRO CA C 66.194 0.100 1 1150 105 105 PRO CB C 32.209 0.100 1 1151 105 105 PRO CD C 58.300 0.100 1 1152 105 105 PRO CG C 31.100 0.100 1 1153 106 106 THR H H 8.810 0.100 1 1154 106 106 THR HA H 3.657 0.100 1 1155 106 106 THR HB H 2.667 0.100 1 1156 106 106 THR HG2 H 1.140 0.100 1 1157 106 106 THR CA C 60.902 0.100 1 1158 106 106 THR N N 112.919 0.100 1 1159 107 107 PRO HA H 4.600 0.100 1 1160 107 107 PRO HD2 H 3.990 0.100 2 1161 107 107 PRO HD3 H 3.600 0.100 2 1162 107 107 PRO HG2 H 1.880 0.100 1 1163 107 107 PRO HG3 H 1.880 0.100 1 1164 107 107 PRO CG C 31.110 0.100 1 1165 108 108 PRO HA H 4.240 0.100 1 1166 108 108 PRO HB2 H 2.301 0.100 2 1167 108 108 PRO HB3 H 1.906 0.100 2 1168 108 108 PRO HD2 H 3.900 0.100 1 1169 108 108 PRO HD3 H 3.900 0.100 1 1170 108 108 PRO HG2 H 2.759 0.100 2 1171 108 108 PRO HG3 H 2.600 0.100 2 1172 108 108 PRO C C 176.482 0.100 1 1173 108 108 PRO CA C 62.200 0.100 1 1174 108 108 PRO CB C 32.300 0.100 1 1175 108 108 PRO CD C 49.573 0.100 1 1176 108 108 PRO CG C 27.881 0.100 1 1177 109 109 ALA H H 8.436 0.100 1 1178 109 109 ALA HA H 3.923 0.100 1 1179 109 109 ALA HB H 1.355 0.100 1 1180 109 109 ALA C C 179.798 0.100 1 1181 109 109 ALA CA C 55.498 0.100 1 1182 109 109 ALA CB C 18.667 0.100 1 1183 109 109 ALA N N 122.128 0.100 1 1184 110 110 ASP H H 8.265 0.100 1 1185 110 110 ASP HA H 4.414 0.100 1 1186 110 110 ASP HB2 H 2.662 0.100 1 1187 110 110 ASP HB3 H 2.662 0.100 1 1188 110 110 ASP C C 176.354 0.100 1 1189 110 110 ASP CA C 55.249 0.100 1 1190 110 110 ASP CB C 39.963 0.100 1 1191 110 110 ASP N N 113.286 0.100 1 1192 111 111 ALA H H 8.024 0.100 1 1193 111 111 ALA HA H 4.169 0.100 1 1194 111 111 ALA HB H 1.089 0.100 1 1195 111 111 ALA C C 177.625 0.100 1 1196 111 111 ALA CA C 52.674 0.100 1 1197 111 111 ALA CB C 19.054 0.100 1 1198 111 111 ALA N N 121.181 0.100 1 1199 112 112 TYR H H 7.349 0.100 1 1200 112 112 TYR HA H 3.944 0.100 1 1201 112 112 TYR HB2 H 3.107 0.100 2 1202 112 112 TYR HB3 H 2.427 0.100 2 1203 112 112 TYR HD1 H 6.760 0.100 3 1204 112 112 TYR HD2 H 6.760 0.100 3 1205 112 112 TYR HE1 H 6.380 0.100 3 1206 112 112 TYR HE2 H 6.380 0.100 3 1207 112 112 TYR C C 176.422 0.100 1 1208 112 112 TYR CA C 59.139 0.100 1 1209 112 112 TYR CB C 40.301 0.100 1 1210 112 112 TYR CD1 C 132.990 0.100 3 1211 112 112 TYR CD2 C 132.990 0.100 3 1212 112 112 TYR CE1 C 118.320 0.100 3 1213 112 112 TYR CE2 C 118.320 0.100 3 1214 112 112 TYR N N 116.156 0.100 1 1215 113 113 VAL H H 8.724 0.100 1 1216 113 113 VAL HA H 4.150 0.100 1 1217 113 113 VAL HB H 1.980 0.100 1 1218 113 113 VAL HG1 H 0.902 0.100 2 1219 113 113 VAL HG2 H 0.680 0.100 2 1220 113 113 VAL CA C 62.319 0.100 1 1221 113 113 VAL CB C 34.067 0.100 1 1222 113 113 VAL CG1 C 21.108 0.100 1 1223 113 113 VAL CG2 C 21.108 0.100 1 1224 113 113 VAL N N 121.658 0.100 1 1225 114 114 ASN H H 7.500 0.100 1 1226 114 114 ASN HA H 4.420 0.100 1 1227 114 114 ASN HB2 H 2.901 0.100 2 1228 114 114 ASN HB3 H 2.857 0.100 2 1229 114 114 ASN HD21 H 6.913 0.100 1 1230 114 114 ASN HD22 H 7.720 0.100 1 1231 114 114 ASN C C 176.024 0.100 1 1232 114 114 ASN CA C 54.313 0.100 1 1233 114 114 ASN CB C 38.792 0.100 1 1234 114 114 ASN CG C 176.942 0.100 1 1235 114 114 ASN ND2 N 113.050 0.100 1 1236 115 115 GLY H H 8.652 0.100 1 1237 115 115 GLY HA2 H 4.301 0.100 2 1238 115 115 GLY HA3 H 3.581 0.100 2 1239 115 115 GLY C C 173.979 0.100 1 1240 115 115 GLY CA C 45.833 0.100 1 1241 115 115 GLY N N 102.997 0.100 1 1242 116 116 THR H H 7.904 0.100 1 1243 116 116 THR HA H 4.323 0.100 1 1244 116 116 THR HB H 4.136 0.100 1 1245 116 116 THR HG2 H 1.087 0.100 1 1246 116 116 THR C C 172.513 0.100 1 1247 116 116 THR CA C 60.197 0.100 1 1248 116 116 THR CB C 73.498 0.100 1 1249 116 116 THR CG2 C 22.550 0.100 1 1250 116 116 THR N N 109.931 0.100 1 1251 117 117 VAL H H 8.266 0.100 1 1252 117 117 VAL HA H 4.351 0.100 1 1253 117 117 VAL HB H 1.822 0.100 1 1254 117 117 VAL HG1 H 0.372 0.100 2 1255 117 117 VAL HG2 H 0.204 0.100 2 1256 117 117 VAL C C 171.444 0.100 1 1257 117 117 VAL CA C 59.852 0.100 1 1258 117 117 VAL CB C 34.544 0.100 1 1259 117 117 VAL CG1 C 21.108 0.100 2 1260 117 117 VAL CG2 C 20.826 0.100 2 1261 117 117 VAL N N 117.829 0.100 1 1262 118 118 GLU H H 8.145 0.100 1 1263 118 118 GLU HA H 5.226 0.100 1 1264 118 118 GLU HB2 H 1.770 0.100 2 1265 118 118 GLU HB3 H 1.720 0.100 2 1266 118 118 GLU HG2 H 1.929 0.100 1 1267 118 118 GLU HG3 H 1.929 0.100 1 1268 118 118 GLU C C 174.932 0.100 1 1269 118 118 GLU CA C 54.315 0.100 1 1270 118 118 GLU CB C 32.795 0.100 1 1271 118 118 GLU CG C 37.202 0.100 1 1272 118 118 GLU N N 126.443 0.100 1 1273 119 119 LEU H H 8.484 0.100 1 1274 119 119 LEU HA H 4.550 0.100 1 1275 119 119 LEU HB2 H 1.563 0.100 1 1276 119 119 LEU HB3 H 1.563 0.100 1 1277 119 119 LEU HD1 H 1.020 0.100 2 1278 119 119 LEU HD2 H 0.807 0.100 2 1279 119 119 LEU HG H 1.170 0.100 1 1280 119 119 LEU C C 174.154 0.100 1 1281 119 119 LEU CA C 53.920 0.100 1 1282 119 119 LEU CB C 45.731 0.100 1 1283 119 119 LEU CD1 C 24.831 0.100 2 1284 119 119 LEU CD2 C 26.200 0.100 2 1285 119 119 LEU CG C 26.420 0.100 1 1286 119 119 LEU N N 125.533 0.100 1 1287 120 120 THR H H 7.952 0.100 1 1288 120 120 THR HA H 5.387 0.100 1 1289 120 120 THR HB H 3.824 0.100 1 1290 120 120 THR HG2 H 0.981 0.100 1 1291 120 120 THR C C 174.170 0.100 1 1292 120 120 THR CA C 61.130 0.100 1 1293 120 120 THR CB C 70.421 0.100 1 1294 120 120 THR CG2 C 20.806 0.100 1 1295 120 120 THR N N 115.436 0.100 1 1296 121 121 LEU H H 9.015 0.100 1 1297 121 121 LEU HA H 5.033 0.100 1 1298 121 121 LEU HB2 H 1.639 0.100 1 1299 121 121 LEU HB3 H 1.639 0.100 1 1300 121 121 LEU HD1 H 0.761 0.100 2 1301 121 121 LEU HD2 H 0.760 0.100 2 1302 121 121 LEU HG H 1.320 0.100 1 1303 121 121 LEU CA C 51.972 0.100 1 1304 121 121 LEU CB C 46.202 0.100 1 1305 121 121 LEU CD1 C 24.900 0.100 2 1306 121 121 LEU CD2 C 25.480 0.100 2 1307 121 121 LEU CG C 27.300 0.100 1 1308 121 121 LEU N N 126.196 0.100 1 1309 122 122 PRO HA H 5.295 0.100 1 1310 122 122 PRO HB2 H 2.240 0.100 2 1311 122 122 PRO HB3 H 1.740 0.100 2 1312 122 122 PRO HD2 H 3.792 0.100 2 1313 122 122 PRO HD3 H 3.733 0.100 2 1314 122 122 PRO HG2 H 2.101 0.100 2 1315 122 122 PRO HG3 H 2.005 0.100 2 1316 122 122 PRO C C 176.460 0.100 1 1317 122 122 PRO CA C 61.022 0.100 1 1318 122 122 PRO CB C 31.966 0.100 1 1319 122 122 PRO CD C 51.622 0.100 1 1320 122 122 PRO CG C 26.438 0.100 1 1321 123 123 ILE H H 8.652 0.100 1 1322 123 123 ILE HA H 4.158 0.100 1 1323 123 123 ILE HB H 1.690 0.100 1 1324 123 123 ILE HD1 H 0.680 0.100 1 1325 123 123 ILE HG12 H 1.340 0.100 2 1326 123 123 ILE HG13 H 1.168 0.100 2 1327 123 123 ILE HG2 H 0.439 0.100 1 1328 123 123 ILE C C 173.236 0.100 1 1329 123 123 ILE CA C 59.145 0.100 1 1330 123 123 ILE CB C 38.182 0.100 1 1331 123 123 ILE CD1 C 11.100 0.100 1 1332 123 123 ILE CG1 C 30.995 0.100 1 1333 123 123 ILE CG2 C 17.884 0.100 1 1334 123 123 ILE N N 121.659 0.100 1 1335 124 124 ASP H H 8.340 0.100 1 1336 124 124 ASP HA H 5.037 0.100 1 1337 124 124 ASP HB2 H 2.454 0.100 1 1338 124 124 ASP HB3 H 2.454 0.100 1 1339 124 124 ASP C C 174.227 0.100 1 1340 124 124 ASP CA C 52.664 0.100 1 1341 124 124 ASP CB C 44.311 0.100 1 1342 124 124 ASP N N 124.516 0.100 1 1343 125 125 PHE H H 8.914 0.100 1 1344 125 125 PHE HA H 4.460 0.100 1 1345 125 125 PHE HB2 H 2.779 0.100 2 1346 125 125 PHE HB3 H 2.661 0.100 2 1347 125 125 PHE HD1 H 6.600 0.100 3 1348 125 125 PHE HD2 H 6.600 0.100 3 1349 125 125 PHE HE1 H 7.020 0.100 3 1350 125 125 PHE HE2 H 7.020 0.100 3 1351 125 125 PHE HZ H 6.890 0.100 1 1352 125 125 PHE C C 174.694 0.100 1 1353 125 125 PHE CA C 58.074 0.100 1 1354 125 125 PHE CB C 38.551 0.100 1 1355 125 125 PHE CD1 C 131.740 0.100 3 1356 125 125 PHE CD2 C 131.740 0.100 3 1357 125 125 PHE CZ C 127.990 0.100 1 1358 125 125 PHE N N 122.030 0.100 1 1359 126 126 SER H H 8.675 0.100 1 1360 126 126 SER HA H 5.001 0.100 1 1361 126 126 SER HB2 H 3.793 0.100 1 1362 126 126 SER HB3 H 3.793 0.100 1 1363 126 126 SER C C 174.233 0.100 1 1364 126 126 SER CA C 56.901 0.100 1 1365 126 126 SER CB C 65.366 0.100 1 1366 126 126 SER N N 118.548 0.300 1 1367 127 127 LEU H H 8.748 0.100 1 1368 127 127 LEU HA H 4.219 0.100 1 1369 127 127 LEU HB2 H 1.535 0.100 2 1370 127 127 LEU HB3 H 1.417 0.100 2 1371 127 127 LEU HD1 H 0.638 0.100 2 1372 127 127 LEU HD2 H 0.475 0.100 2 1373 127 127 LEU HG H 1.255 0.100 1 1374 127 127 LEU C C 177.411 0.300 1 1375 127 127 LEU CA C 55.367 0.300 1 1376 127 127 LEU CB C 42.187 0.300 1 1377 127 127 LEU CD1 C 25.500 0.300 2 1378 127 127 LEU CD2 C 23.608 0.300 2 1379 127 127 LEU CG C 24.858 0.300 1 1380 127 127 LEU N N 126.202 0.300 1 1381 128 128 ARG H H 8.290 0.100 1 1382 128 128 ARG HA H 4.255 0.100 1 1383 128 128 ARG HB2 H 1.743 0.100 1 1384 128 128 ARG HB3 H 1.743 0.100 1 1385 128 128 ARG HD2 H 3.244 0.100 2 1386 128 128 ARG HD3 H 3.132 0.100 2 1387 128 128 ARG HG2 H 1.590 0.100 2 1388 128 128 ARG HG3 H 1.545 0.100 2 1389 128 128 ARG C C 177.294 0.300 1 1390 128 128 ARG CA C 56.809 0.300 1 1391 128 128 ARG CB C 30.534 0.300 1 1392 128 128 ARG CD C 43.309 0.300 1 1393 128 128 ARG CG C 26.938 0.300 1 1394 128 128 ARG N N 120.702 0.300 1 1395 129 129 GLY H H 8.362 0.100 1 1396 129 129 GLY HA2 H 3.908 0.100 2 1397 129 129 GLY HA3 H 3.707 0.100 2 1398 129 129 GLY C C 173.825 0.300 1 1399 129 129 GLY CA C 45.368 0.300 1 1400 129 129 GLY N N 110.176 0.300 1 1401 130 130 ALA H H 8.072 0.100 1 1402 130 130 ALA HA H 4.282 0.100 1 1403 130 130 ALA HB H 1.327 0.100 1 1404 130 130 ALA C C 177.728 0.300 1 1405 130 130 ALA CA C 52.555 0.300 1 1406 130 130 ALA CB C 19.404 0.300 1 1407 130 130 ALA N N 123.204 0.300 1 1408 131 131 GLY H H 8.218 0.100 1 1409 131 131 GLY HA2 H 3.868 0.100 2 1410 131 131 GLY HA3 H 3.705 0.100 2 1411 131 131 GLY C C 173.026 0.300 1 1412 131 131 GLY CA C 45.246 0.300 1 1413 131 131 GLY N N 107.778 0.300 1 1414 132 132 PHE H H 7.614 0.100 1 1415 132 132 PHE HA H 4.413 0.100 1 1416 132 132 PHE HB2 H 3.138 0.100 2 1417 132 132 PHE HB3 H 2.838 0.100 2 1418 132 132 PHE HD1 H 7.142 0.100 3 1419 132 132 PHE HD2 H 7.142 0.100 3 1420 132 132 PHE HE1 H 6.750 0.100 3 1421 132 132 PHE HE2 H 6.750 0.100 3 1422 132 132 PHE CA C 58.961 0.300 1 1423 132 132 PHE CB C 40.432 0.300 1 1424 132 132 PHE N N 124.647 0.300 1 stop_ save_