data_19446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Single-stranded DNA binding protein from E. coli (SSB) ; _BMRB_accession_number 19446 _BMRB_flat_file_name bmr19446.str _Entry_type original _Submission_date 2013-08-21 _Accession_date 2013-08-21 _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 Shishmarev Dmitry . . 2 Wang Yao . . 3 Yagi Hiromasa . . 4 Dixon Nicholas E. . 5 Su Xun-Cheng . . 6 Yagi Hiromasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 701 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2013-09-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Bound or Free: Interaction of the C-Terminal Domain of Escherichia coli Single-Stranded DNA-Binding Protein (SSB) with the Tetrameric Core of SSB.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24606314 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Su Xun-Cheng . . 2 Wang Yao . . 3 Yagi Hiromasa . . 4 Shishmarev Dmitry . . 5 Mason Claire E. . 6 Smith Paul J. . 7 Vandevenne Marylene . . 8 Dixon Nicholas E. . 9 Otting Gottfried . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 53 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1925 _Page_last 1934 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SSB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Single-stranded DNA binding protein' $SSB 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_SSB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SSB _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; ASRGVNKVILVGNLGQDPEV RYMPNGGAVANITLATSESW RDKATGEMKEQTEWHRVVLF GKLAEVASEYLRKGSQVYIE GQLRTRKWTDQSGQDRYTTE VVVNVGGTMQMLGGRQGGGA PAGGNIGGGQPQGGWGQPQQ PQGGNQFSGGAQSRPQQSAP AAPSNEPPMDFDDDIPF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 ARG 4 GLY 5 VAL 6 ASN 7 LYS 8 VAL 9 ILE 10 LEU 11 VAL 12 GLY 13 ASN 14 LEU 15 GLY 16 GLN 17 ASP 18 PRO 19 GLU 20 VAL 21 ARG 22 TYR 23 MET 24 PRO 25 ASN 26 GLY 27 GLY 28 ALA 29 VAL 30 ALA 31 ASN 32 ILE 33 THR 34 LEU 35 ALA 36 THR 37 SER 38 GLU 39 SER 40 TRP 41 ARG 42 ASP 43 LYS 44 ALA 45 THR 46 GLY 47 GLU 48 MET 49 LYS 50 GLU 51 GLN 52 THR 53 GLU 54 TRP 55 HIS 56 ARG 57 VAL 58 VAL 59 LEU 60 PHE 61 GLY 62 LYS 63 LEU 64 ALA 65 GLU 66 VAL 67 ALA 68 SER 69 GLU 70 TYR 71 LEU 72 ARG 73 LYS 74 GLY 75 SER 76 GLN 77 VAL 78 TYR 79 ILE 80 GLU 81 GLY 82 GLN 83 LEU 84 ARG 85 THR 86 ARG 87 LYS 88 TRP 89 THR 90 ASP 91 GLN 92 SER 93 GLY 94 GLN 95 ASP 96 ARG 97 TYR 98 THR 99 THR 100 GLU 101 VAL 102 VAL 103 VAL 104 ASN 105 VAL 106 GLY 107 GLY 108 THR 109 MET 110 GLN 111 MET 112 LEU 113 GLY 114 GLY 115 ARG 116 GLN 117 GLY 118 GLY 119 GLY 120 ALA 121 PRO 122 ALA 123 GLY 124 GLY 125 ASN 126 ILE 127 GLY 128 GLY 129 GLY 130 GLN 131 PRO 132 GLN 133 GLY 134 GLY 135 TRP 136 GLY 137 GLN 138 PRO 139 GLN 140 GLN 141 PRO 142 GLN 143 GLY 144 GLY 145 ASN 146 GLN 147 PHE 148 SER 149 GLY 150 GLY 151 ALA 152 GLN 153 SER 154 ARG 155 PRO 156 GLN 157 GLN 158 SER 159 ALA 160 PRO 161 ALA 162 ALA 163 PRO 164 SER 165 ASN 166 GLU 167 PRO 168 PRO 169 MET 170 ASP 171 PHE 172 ASP 173 ASP 174 ASP 175 ILE 176 PRO 177 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 1EQQ "Single Stranded Dna Binding Protein And Ssdna Complex" 100.00 178 100.00 100.00 8.30e-123 PDB 1EYG "Crystal Structure Of Chymotryptic Fragment Of E. Coli Ssb Bound To Two 35-Mer Single Strand Dnas" 64.97 116 100.00 100.00 5.90e-76 PDB 1KAW "Structure Of Single Stranded Dna Binding Protein (Ssb)" 76.27 135 100.00 100.00 6.55e-90 PDB 1QVC "Crystal Structure Analysis Of Single Stranded Dna Binding Protein (Ssb) From E.Coli" 81.92 145 100.00 100.00 4.83e-97 PDB 1SRU "Crystal Structure Of Full Length E. Coli Ssb Protein" 63.28 113 100.00 100.00 7.15e-74 PDB 4MZ9 "Revised Structure Of E. Coli Ssb" 100.00 178 100.00 100.00 8.30e-123 DBJ BAB38464 "ssDNA-binding protein [Escherichia coli O157:H7 str. Sakai]" 100.00 178 100.00 100.00 8.30e-123 DBJ BAE78061 "Single-stranded DNA-binding protein [Escherichia coli str. K12 substr. W3110]" 100.00 178 100.00 100.00 8.30e-123 DBJ BAG79877 "single-strand DNA-binding protein [Escherichia coli SE11]" 100.00 178 100.00 100.00 8.30e-123 DBJ BAI28321 "single-stranded DNA-binding protein [Escherichia coli O26:H11 str. 11368]" 100.00 178 100.00 100.00 8.30e-123 DBJ BAI33498 "single-stranded DNA-binding protein [Escherichia coli O103:H2 str. 12009]" 100.00 178 100.00 100.00 8.30e-123 EMBL CAP78525 "Single-stranded DNA-binding protein [Escherichia coli LF82]" 100.00 178 100.00 100.00 8.30e-123 EMBL CAQ34408 "ssDNA-binding protein [Escherichia coli BL21(DE3)]" 100.00 178 100.00 100.00 8.30e-123 EMBL CAQ91583 "Single-stranded DNA-binding protein [Escherichia fergusonii ATCC 35469]" 100.00 178 100.00 100.00 8.30e-123 EMBL CAR01039 "Single-stranded DNA-binding protein [Escherichia coli IAI1]" 100.00 178 100.00 100.00 8.30e-123 EMBL CAR05708 "Single-stranded DNA-binding protein [Escherichia coli S88]" 100.00 178 100.00 100.00 8.30e-123 GB AAA24649 "single-strand DNA-binding protein (ssb) [Escherichia coli]" 100.00 178 99.44 99.44 4.28e-122 GB AAC43153 "single-strand DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 178 100.00 100.00 8.30e-123 GB AAC77029 "single-stranded DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 178 100.00 100.00 8.30e-123 GB AAG59257 "ssDNA-binding protein [Escherichia coli O157:H7 str. EDL933]" 100.00 178 99.44 99.44 4.93e-122 GB AAN45567 "ssDNA-binding protein [Shigella flexneri 2a str. 301]" 100.00 178 100.00 100.00 8.30e-123 PIR E86099 "ssDNA-binding protein [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 178 99.44 99.44 4.93e-122 REF NP_313068 "single-stranded DNA-binding protein [Escherichia coli O157:H7 str. Sakai]" 100.00 178 100.00 100.00 8.30e-123 REF NP_418483 "single-stranded DNA-binding protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 178 100.00 100.00 8.30e-123 REF NP_709860 "single-stranded DNA-binding protein [Shigella flexneri 2a str. 301]" 100.00 178 100.00 100.00 8.30e-123 REF WP_000157064 "single-stranded DNA-binding protein [Escherichia coli]" 100.00 178 99.44 100.00 2.25e-122 REF WP_000168295 "single-stranded DNA-binding protein [Escherichia coli]" 100.00 178 99.44 99.44 7.98e-122 SP P0AGE0 "RecName: Full=Single-stranded DNA-binding protein; Short=SSB; AltName: Full=Helix-destabilizing protein" 100.00 178 100.00 100.00 8.30e-123 SP P0AGE1 "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" 100.00 178 100.00 100.00 8.30e-123 SP P0AGE2 "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" 100.00 178 100.00 100.00 8.30e-123 SP P0AGE3 "RecName: Full=Single-stranded DNA-binding protein; Short=SSB" 100.00 178 100.00 100.00 8.30e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SSB 'E. coli' 562 Bacteria . Escherichia coli 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 $SSB 'recombinant technology' . Escherichia coli . na 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 $SSB 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0 . M pH 3.4 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' 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 'Single-stranded DNA binding protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.158 0.003 1 2 1 1 ALA HB H 1.553 0.005 1 3 1 1 ALA C C 172.934 0.005 1 4 1 1 ALA CA C 50.970 0.247 1 5 1 1 ALA CB C 18.509 0.287 1 6 2 2 SER H H 8.715 0.004 1 7 2 2 SER HA H 4.539 0.005 1 8 2 2 SER HB2 H 3.883 0.005 2 9 2 2 SER HB3 H 3.844 0.001 2 10 2 2 SER C C 173.338 0.020 1 11 2 2 SER CA C 57.345 0.236 1 12 2 2 SER CB C 63.054 0.337 1 13 2 2 SER N N 116.027 0.089 1 14 3 3 ARG H H 8.581 0.006 1 15 3 3 ARG HA H 4.400 0.006 1 16 3 3 ARG HB2 H 1.796 0.009 2 17 3 3 ARG HB3 H 1.906 0.004 2 18 3 3 ARG HG2 H 1.661 0.016 2 19 3 3 ARG HG3 H 1.671 0.016 2 20 3 3 ARG HD2 H 3.223 0.002 1 21 3 3 ARG C C 175.714 0.011 1 22 3 3 ARG CA C 55.337 0.038 1 23 3 3 ARG CB C 29.937 0.032 1 24 3 3 ARG CG C 26.132 0.021 1 25 3 3 ARG CD C 42.424 0.015 1 26 3 3 ARG N N 123.346 0.043 1 27 4 4 GLY H H 8.469 0.005 1 28 4 4 GLY HA2 H 3.969 0.005 2 29 4 4 GLY HA3 H 4.009 0.000 2 30 4 4 GLY C C 172.958 0.008 1 31 4 4 GLY CA C 44.317 0.043 1 32 4 4 GLY N N 110.246 0.026 1 33 5 5 VAL H H 8.066 0.004 1 34 5 5 VAL HA H 4.180 0.003 1 35 5 5 VAL HB H 2.094 0.006 1 36 5 5 VAL HG1 H 0.927 0.003 2 37 5 5 VAL HG2 H 0.945 0.003 2 38 5 5 VAL C C 174.870 0.009 1 39 5 5 VAL CA C 61.225 0.028 1 40 5 5 VAL CB C 31.943 0.044 1 41 5 5 VAL CG1 C 19.365 0.046 2 42 5 5 VAL CG2 C 20.182 0.059 2 43 5 5 VAL N N 119.042 0.028 1 44 6 6 ASN H H 8.685 0.006 1 45 6 6 ASN HA H 4.803 0.005 1 46 6 6 ASN HB2 H 2.930 0.011 2 47 6 6 ASN HB3 H 2.832 0.004 2 48 6 6 ASN HD21 H 7.024 0.002 1 49 6 6 ASN HD22 H 7.573 0.000 1 50 6 6 ASN C C 173.209 0.008 1 51 6 6 ASN CA C 52.121 0.111 1 52 6 6 ASN CB C 37.952 0.046 1 53 6 6 ASN N N 122.934 0.050 1 54 6 6 ASN ND2 N 112.374 0.054 1 55 7 7 LYS H H 8.038 0.006 1 56 7 7 LYS HA H 4.754 0.003 1 57 7 7 LYS HB3 H 1.754 0.004 1 58 7 7 LYS HG2 H 1.436 0.002 2 59 7 7 LYS HG3 H 1.292 0.004 2 60 7 7 LYS HD3 H 1.638 0.001 1 61 7 7 LYS HE3 H 2.923 0.002 1 62 7 7 LYS C C 174.785 0.008 1 63 7 7 LYS CA C 55.145 0.031 1 64 7 7 LYS CB C 33.089 0.040 1 65 7 7 LYS CG C 23.882 0.042 1 66 7 7 LYS CD C 28.276 0.023 1 67 7 7 LYS CE C 41.094 0.025 1 68 7 7 LYS N N 121.643 0.065 1 69 8 8 VAL H H 8.738 0.005 1 70 8 8 VAL HA H 4.390 0.004 1 71 8 8 VAL HB H 1.762 0.008 1 72 8 8 VAL HG1 H 0.742 0.002 2 73 8 8 VAL HG2 H 0.786 0.001 2 74 8 8 VAL C C 172.203 0.006 1 75 8 8 VAL CA C 59.689 0.028 1 76 8 8 VAL CB C 33.625 0.054 1 77 8 8 VAL CG1 C 20.512 0.042 2 78 8 8 VAL CG2 C 20.031 0.049 2 79 8 8 VAL N N 121.932 0.055 1 80 9 9 ILE H H 8.011 0.008 1 81 9 9 ILE HA H 4.842 0.004 1 82 9 9 ILE HB H 1.563 0.004 1 83 9 9 ILE HG12 H 0.969 0.006 2 84 9 9 ILE HG13 H 1.478 0.003 2 85 9 9 ILE HG2 H 0.640 0.004 1 86 9 9 ILE HD1 H 0.880 0.003 1 87 9 9 ILE C C 174.976 0.013 1 88 9 9 ILE CA C 58.922 0.052 1 89 9 9 ILE CB C 39.081 0.068 1 90 9 9 ILE CG1 C 27.177 0.041 1 91 9 9 ILE CG2 C 17.062 0.079 1 92 9 9 ILE CD1 C 12.733 0.054 1 93 9 9 ILE N N 124.902 0.023 1 94 10 10 LEU H H 8.866 0.010 1 95 10 10 LEU HA H 4.631 0.005 1 96 10 10 LEU HB2 H 0.889 0.006 2 97 10 10 LEU HB3 H 1.150 0.006 2 98 10 10 LEU HG H 1.154 0.001 1 99 10 10 LEU HD1 H 0.277 0.008 2 100 10 10 LEU HD2 H 0.314 0.008 2 101 10 10 LEU C C 173.004 0.012 1 102 10 10 LEU CA C 52.304 0.067 1 103 10 10 LEU CB C 45.992 0.039 1 104 10 10 LEU CG C 25.423 0.290 1 105 10 10 LEU CD1 C 25.386 0.000 2 106 10 10 LEU CD2 C 22.486 0.085 2 107 10 10 LEU N N 126.465 0.030 1 108 11 11 VAL H H 8.005 0.005 1 109 11 11 VAL HA H 5.082 0.005 1 110 11 11 VAL HB H 1.923 0.012 1 111 11 11 VAL HG1 H 0.910 0.007 2 112 11 11 VAL HG2 H 1.007 0.003 2 113 11 11 VAL C C 175.040 0.029 1 114 11 11 VAL CA C 59.368 0.056 1 115 11 11 VAL CB C 33.458 0.064 1 116 11 11 VAL CG1 C 19.959 0.049 2 117 11 11 VAL CG2 C 20.960 0.076 2 118 11 11 VAL N N 120.035 0.056 1 119 12 12 GLY H H 8.421 0.006 1 120 12 12 GLY HA2 H 4.130 0.002 2 121 12 12 GLY HA3 H 4.350 0.006 2 122 12 12 GLY C C 170.163 0.020 1 123 12 12 GLY CA C 45.155 0.048 1 124 12 12 GLY N N 111.429 0.031 1 125 13 13 ASN H H 8.293 0.008 1 126 13 13 ASN HA H 5.953 0.003 1 127 13 13 ASN HB2 H 2.422 0.008 2 128 13 13 ASN HB3 H 2.404 0.008 2 129 13 13 ASN HD21 H 6.928 0.001 1 130 13 13 ASN HD22 H 7.180 0.002 1 131 13 13 ASN C C 174.934 0.010 1 132 13 13 ASN CA C 50.404 0.062 1 133 13 13 ASN CB C 40.961 0.077 1 134 13 13 ASN N N 115.650 0.056 1 135 13 13 ASN ND2 N 111.345 0.047 1 136 14 14 LEU H H 8.898 0.006 1 137 14 14 LEU HA H 4.814 0.003 1 138 14 14 LEU HB3 H 2.143 0.006 1 139 14 14 LEU HG H 1.943 0.005 1 140 14 14 LEU HD1 H 0.964 0.004 1 141 14 14 LEU C C 179.544 0.025 1 142 14 14 LEU CA C 56.458 0.066 1 143 14 14 LEU CB C 40.877 0.046 1 144 14 14 LEU CG C 26.016 0.052 1 145 14 14 LEU CD1 C 24.540 0.000 2 146 14 14 LEU CD2 C 24.275 0.000 2 147 14 14 LEU N N 124.012 0.063 1 148 15 15 GLY H H 9.308 0.003 1 149 15 15 GLY HA2 H 3.877 0.005 2 150 15 15 GLY HA3 H 4.367 0.005 2 151 15 15 GLY C C 171.291 0.022 1 152 15 15 GLY CA C 45.063 0.056 1 153 15 15 GLY N N 110.848 0.070 1 154 16 16 GLN H H 7.524 0.005 1 155 16 16 GLN HA H 4.577 0.005 1 156 16 16 GLN HB3 H 2.022 0.000 1 157 16 16 GLN HG2 H 2.360 0.000 2 158 16 16 GLN HG3 H 2.257 0.000 2 159 16 16 GLN C C 173.676 0.014 1 160 16 16 GLN CA C 52.758 0.070 1 161 16 16 GLN CB C 31.768 0.125 1 162 16 16 GLN CG C 32.427 0.000 1 163 16 16 GLN N N 112.740 0.055 1 164 17 17 ASP H H 9.216 0.007 1 165 17 17 ASP HA H 4.630 0.003 1 166 17 17 ASP HB2 H 2.603 0.008 2 167 17 17 ASP HB3 H 2.937 0.000 2 168 17 17 ASP C C 172.839 0.012 1 169 17 17 ASP CA C 53.120 0.042 1 170 17 17 ASP CB C 37.235 0.046 1 171 17 17 ASP N N 123.804 0.087 1 172 18 18 PRO HA H 4.389 0.014 1 173 18 18 PRO HB3 H 2.107 0.002 1 174 18 18 PRO HG2 H 1.684 0.000 2 175 18 18 PRO HG3 H 1.542 0.000 2 176 18 18 PRO C C 173.979 0.010 1 177 18 18 PRO CA C 62.401 0.089 1 178 18 18 PRO CB C 31.051 0.030 1 179 18 18 PRO CG C 26.621 0.230 1 180 18 18 PRO CD C 49.675 0.000 1 181 19 19 GLU H H 8.011 0.007 1 182 19 19 GLU HA H 4.679 0.004 1 183 19 19 GLU HB2 H 1.974 0.000 2 184 19 19 GLU HB3 H 2.083 0.000 2 185 19 19 GLU HG2 H 2.421 0.000 2 186 19 19 GLU HG3 H 2.235 0.004 2 187 19 19 GLU C C 173.942 0.013 1 188 19 19 GLU CA C 53.712 0.054 1 189 19 19 GLU CB C 29.396 0.076 1 190 19 19 GLU CG C 32.877 0.021 1 191 19 19 GLU N N 122.526 0.073 1 192 20 20 VAL H H 8.782 0.008 1 193 20 20 VAL HA H 4.751 0.005 1 194 20 20 VAL HB H 1.838 0.002 1 195 20 20 VAL HG1 H 0.583 0.002 2 196 20 20 VAL HG2 H 0.697 0.002 2 197 20 20 VAL C C 173.778 0.035 1 198 20 20 VAL CA C 60.406 0.036 1 199 20 20 VAL CB C 32.767 0.083 1 200 20 20 VAL CG1 C 19.516 0.033 2 201 20 20 VAL CG2 C 20.165 0.030 2 202 20 20 VAL N N 126.878 0.046 1 203 21 21 ARG H H 8.799 0.003 1 204 21 21 ARG HA H 4.562 0.002 1 205 21 21 ARG HB2 H 1.698 0.005 1 206 21 21 ARG HG2 H 1.397 0.000 2 207 21 21 ARG HG3 H 1.455 0.000 2 208 21 21 ARG HD2 H 3.023 0.000 1 209 21 21 ARG C C 172.476 0.009 1 210 21 21 ARG CA C 52.974 0.036 1 211 21 21 ARG CB C 32.519 0.053 1 212 21 21 ARG CG C 25.955 0.036 1 213 21 21 ARG CD C 42.271 0.000 1 214 21 21 ARG N N 127.033 0.030 1 215 22 22 TYR H H 8.549 0.010 1 216 22 22 TYR HA H 4.942 0.007 1 217 22 22 TYR HB2 H 2.703 0.004 2 218 22 22 TYR HB3 H 2.912 0.005 2 219 22 22 TYR HD1 H 7.055 0.006 3 220 22 22 TYR HD2 H 7.055 0.006 3 221 22 22 TYR HE1 H 6.731 0.006 3 222 22 22 TYR HE2 H 6.731 0.006 3 223 22 22 TYR C C 175.585 0.039 1 224 22 22 TYR CA C 56.696 0.039 1 225 22 22 TYR CB C 38.630 0.064 1 226 22 22 TYR CD1 C 131.324 0.772 3 227 22 22 TYR CD2 C 131.324 0.772 3 228 22 22 TYR CE1 C 116.051 0.984 3 229 22 22 TYR CE2 C 116.051 0.984 3 230 22 22 TYR N N 119.734 0.033 1 231 23 23 MET H H 8.740 0.006 1 232 23 23 MET HA H 4.795 0.003 1 233 23 23 MET HB2 H 2.001 0.003 2 234 23 23 MET HB3 H 2.216 0.005 2 235 23 23 MET HG2 H 2.451 0.002 2 236 23 23 MET HG3 H 2.651 0.004 2 237 23 23 MET HE H 2.080 0.002 1 238 23 23 MET C C 174.984 0.027 1 239 23 23 MET CA C 52.551 0.085 1 240 23 23 MET CB C 31.272 0.139 1 241 23 23 MET CG C 31.730 0.063 1 242 23 23 MET CE C 16.312 0.047 1 243 23 23 MET N N 123.039 0.048 1 244 24 24 PRO HA H 4.374 0.001 1 245 24 24 PRO HB3 H 2.139 0.000 1 246 24 24 PRO HG2 H 1.932 0.000 2 247 24 24 PRO HG3 H 2.419 0.000 2 248 24 24 PRO C C 176.008 0.021 1 249 24 24 PRO CA C 64.179 0.048 1 250 24 24 PRO CB C 30.767 0.020 1 251 24 24 PRO CG C 26.778 0.007 1 252 25 25 ASN H H 8.100 0.010 1 253 25 25 ASN HA H 4.642 0.005 1 254 25 25 ASN HB2 H 3.095 0.003 2 255 25 25 ASN HB3 H 2.905 0.003 2 256 25 25 ASN HD21 H 6.776 0.002 1 257 25 25 ASN HD22 H 7.611 0.001 1 258 25 25 ASN C C 174.917 0.008 1 259 25 25 ASN CA C 52.100 0.038 1 260 25 25 ASN CB C 36.583 0.036 1 261 25 25 ASN N N 113.439 0.016 1 262 25 25 ASN ND2 N 111.702 0.003 1 263 26 26 GLY H H 8.348 0.005 1 264 26 26 GLY HA2 H 4.285 0.004 2 265 26 26 GLY HA3 H 3.818 0.007 2 266 26 26 GLY C C 173.775 0.018 1 267 26 26 GLY CA C 44.284 0.056 1 268 26 26 GLY N N 108.556 0.036 1 269 27 27 GLY H H 8.082 0.002 1 270 27 27 GLY HA2 H 4.145 0.005 2 271 27 27 GLY HA3 H 3.877 0.002 2 272 27 27 GLY C C 171.583 0.019 1 273 27 27 GLY CA C 44.259 0.043 1 274 27 27 GLY N N 108.793 0.037 1 275 28 28 ALA H H 8.420 0.005 1 276 28 28 ALA HA H 4.697 0.005 1 277 28 28 ALA HB H 1.126 0.003 1 278 28 28 ALA C C 175.609 0.024 1 279 28 28 ALA CA C 50.827 0.039 1 280 28 28 ALA CB C 20.022 0.061 1 281 28 28 ALA N N 124.298 0.067 1 282 29 29 VAL H H 8.600 0.008 1 283 29 29 VAL HA H 4.669 0.005 1 284 29 29 VAL HB H 1.728 0.013 1 285 29 29 VAL HG1 H 0.661 0.004 2 286 29 29 VAL HG2 H 0.555 0.007 2 287 29 29 VAL C C 172.607 0.008 1 288 29 29 VAL CA C 59.422 0.038 1 289 29 29 VAL CB C 34.283 0.050 1 290 29 29 VAL CG1 C 19.877 0.022 2 291 29 29 VAL CG2 C 20.724 0.079 2 292 29 29 VAL N N 119.798 0.056 1 293 30 30 ALA H H 8.771 0.006 1 294 30 30 ALA HA H 5.384 0.002 1 295 30 30 ALA HB H 1.091 0.000 1 296 30 30 ALA C C 173.852 0.011 1 297 30 30 ALA CA C 48.560 0.037 1 298 30 30 ALA CB C 21.455 0.041 1 299 30 30 ALA N N 126.054 0.034 1 300 31 31 ASN H H 8.913 0.005 1 301 31 31 ASN HA H 5.258 0.007 1 302 31 31 ASN HB2 H 2.388 0.004 1 303 31 31 ASN HD21 H 6.686 0.000 1 304 31 31 ASN HD22 H 7.069 0.007 1 305 31 31 ASN C C 173.984 0.070 1 306 31 31 ASN CA C 51.431 0.072 1 307 31 31 ASN CB C 39.538 0.079 1 308 31 31 ASN N N 120.641 0.036 1 309 31 31 ASN ND2 N 110.826 0.025 1 310 32 32 ILE H H 9.263 0.005 1 311 32 32 ILE HA H 4.892 0.005 1 312 32 32 ILE HB H 1.889 0.004 1 313 32 32 ILE HG12 H 0.990 0.011 2 314 32 32 ILE HG13 H 1.265 0.003 2 315 32 32 ILE HG2 H 0.722 0.003 1 316 32 32 ILE HD1 H 0.635 0.001 1 317 32 32 ILE C C 173.253 0.011 1 318 32 32 ILE CA C 57.765 0.041 1 319 32 32 ILE CB C 40.844 0.079 1 320 32 32 ILE CG1 C 26.054 0.039 1 321 32 32 ILE CG2 C 16.719 0.028 1 322 32 32 ILE CD1 C 12.395 0.034 1 323 32 32 ILE N N 120.591 0.055 1 324 33 33 THR H H 8.903 0.008 1 325 33 33 THR HA H 5.113 0.006 1 326 33 33 THR HB H 4.065 0.006 1 327 33 33 THR HG2 H 1.163 0.004 1 328 33 33 THR C C 172.679 0.038 1 329 33 33 THR CA C 59.870 0.069 1 330 33 33 THR CB C 69.257 0.074 1 331 33 33 THR CG2 C 21.437 0.030 1 332 33 33 THR N N 118.964 0.056 1 333 34 34 LEU H H 9.213 0.005 1 334 34 34 LEU HA H 4.951 0.004 1 335 34 34 LEU HB2 H 1.557 0.010 2 336 34 34 LEU HB3 H 1.163 0.004 2 337 34 34 LEU HD1 H 0.512 0.003 1 338 34 34 LEU C C 173.924 0.017 1 339 34 34 LEU CA C 52.704 0.030 1 340 34 34 LEU CB C 46.080 0.094 1 341 34 34 LEU CD1 C 25.205 0.000 2 342 34 34 LEU CD2 C 24.940 0.000 2 343 34 34 LEU N N 127.593 0.054 1 344 35 35 ALA H H 9.184 0.008 1 345 35 35 ALA HA H 4.653 0.008 1 346 35 35 ALA HB H 0.525 0.006 1 347 35 35 ALA C C 176.878 0.027 1 348 35 35 ALA CA C 49.829 0.069 1 349 35 35 ALA CB C 18.290 0.084 1 350 35 35 ALA N N 130.740 0.024 1 351 36 36 THR H H 9.068 0.007 1 352 36 36 THR HA H 4.798 0.005 1 353 36 36 THR HB H 4.377 0.004 1 354 36 36 THR HG2 H 1.147 0.001 1 355 36 36 THR C C 172.471 0.051 1 356 36 36 THR CA C 59.262 0.046 1 357 36 36 THR CB C 70.373 0.129 1 358 36 36 THR CG2 C 20.879 0.012 1 359 36 36 THR N N 115.626 0.085 1 360 37 37 SER H H 8.762 0.008 1 361 37 37 SER HA H 5.160 0.005 1 362 37 37 SER HB2 H 3.738 0.000 2 363 37 37 SER HB3 H 3.693 0.000 2 364 37 37 SER C C 172.885 0.009 1 365 37 37 SER CA C 56.665 0.044 1 366 37 37 SER CB C 63.764 0.016 1 367 37 37 SER N N 117.884 0.027 1 368 38 38 GLU H H 8.748 0.006 1 369 38 38 GLU HA H 4.824 0.004 1 370 38 38 GLU HB2 H 2.057 0.000 2 371 38 38 GLU HB3 H 2.195 0.000 2 372 38 38 GLU HG2 H 2.436 0.000 1 373 38 38 GLU C C 173.691 0.016 1 374 38 38 GLU CA C 53.825 0.033 1 375 38 38 GLU CB C 30.719 0.048 1 376 38 38 GLU CG C 32.581 0.016 1 377 38 38 GLU N N 124.285 0.059 1 378 39 39 SER H H 8.597 0.006 1 379 39 39 SER HA H 5.515 0.008 1 380 39 39 SER HB3 H 3.753 0.000 1 381 39 39 SER C C 172.782 0.016 1 382 39 39 SER CA C 56.239 0.029 1 383 39 39 SER CB C 64.691 0.013 1 384 39 39 SER N N 117.287 0.024 1 385 40 40 TRP H H 8.671 0.006 1 386 40 40 TRP HA H 4.847 0.003 1 387 40 40 TRP HB2 H 3.135 0.005 2 388 40 40 TRP HB3 H 3.379 0.005 2 389 40 40 TRP HD1 H 6.953 0.004 1 390 40 40 TRP HE1 H 10.268 0.002 1 391 40 40 TRP HE3 H 7.252 0.007 1 392 40 40 TRP HZ2 H 7.393 0.005 1 393 40 40 TRP HZ3 H 6.903 0.005 1 394 40 40 TRP HH2 H 7.064 0.003 1 395 40 40 TRP C C 171.486 0.011 1 396 40 40 TRP CA C 55.807 0.073 1 397 40 40 TRP CB C 30.455 0.100 1 398 40 40 TRP CD1 C 125.231 0.687 1 399 40 40 TRP CE3 C 120.806 0.000 1 400 40 40 TRP CZ2 C 112.702 0.770 1 401 40 40 TRP CH2 C 122.142 0.923 1 402 40 40 TRP N N 123.444 0.057 1 403 40 40 TRP NE1 N 129.496 0.091 1 404 41 41 ARG H H 8.540 0.008 1 405 41 41 ARG HA H 4.526 0.006 1 406 41 41 ARG HB2 H 1.640 0.005 1 407 41 41 ARG HG3 H 1.270 0.000 1 408 41 41 ARG HD2 H 3.090 0.000 1 409 41 41 ARG C C 174.920 0.010 1 410 41 41 ARG CA C 54.172 0.086 1 411 41 41 ARG CB C 30.226 0.132 1 412 41 41 ARG CG C 26.350 0.007 1 413 41 41 ARG CD C 42.202 0.015 1 414 41 41 ARG N N 121.590 0.049 1 415 42 42 ASP H H 8.740 0.003 1 416 42 42 ASP HA H 4.644 0.005 1 417 42 42 ASP HB2 H 2.424 0.003 2 418 42 42 ASP HB3 H 2.978 0.000 2 419 42 42 ASP C C 176.133 0.032 1 420 42 42 ASP CA C 53.151 0.088 1 421 42 42 ASP CB C 41.441 0.081 1 422 42 42 ASP N N 127.962 0.051 1 423 43 43 LYS H H 8.919 0.007 1 424 43 43 LYS HA H 4.001 0.001 1 425 43 43 LYS HB3 H 1.918 0.000 1 426 43 43 LYS HG3 H 1.533 0.000 1 427 43 43 LYS C C 176.738 0.010 1 428 43 43 LYS CA C 58.053 0.037 1 429 43 43 LYS CB C 31.552 0.054 1 430 43 43 LYS CG C 24.064 0.035 1 431 43 43 LYS CD C 28.228 0.036 1 432 43 43 LYS CE C 44.163 0.000 1 433 43 43 LYS N N 128.436 0.017 1 434 44 44 ALA H H 8.357 0.004 1 435 44 44 ALA HA H 4.307 0.002 1 436 44 44 ALA HB H 1.564 0.000 1 437 44 44 ALA C C 178.653 0.016 1 438 44 44 ALA CA C 53.635 0.014 1 439 44 44 ALA CB C 18.269 0.061 1 440 44 44 ALA N N 120.002 0.040 1 441 45 45 THR HA H 4.482 0.003 1 442 45 45 THR HB H 4.341 0.001 1 443 45 45 THR HG2 H 1.216 0.002 1 444 45 45 THR C C 175.626 0.015 1 445 45 45 THR CA C 60.644 0.026 1 446 45 45 THR CB C 70.722 0.090 1 447 45 45 THR CG2 C 20.183 0.000 1 448 46 46 GLY H H 8.350 0.007 1 449 46 46 GLY HA2 H 3.711 0.003 2 450 46 46 GLY HA3 H 4.189 0.008 2 451 46 46 GLY C C 172.800 0.027 1 452 46 46 GLY CA C 44.775 0.060 1 453 46 46 GLY N N 111.488 0.026 1 454 47 47 GLU H H 7.743 0.006 1 455 47 47 GLU HA H 4.281 0.004 1 456 47 47 GLU HB2 H 1.983 0.000 2 457 47 47 GLU HB3 H 1.828 0.000 2 458 47 47 GLU HG2 H 2.339 0.013 1 459 47 47 GLU C C 174.639 0.035 1 460 47 47 GLU CA C 54.534 0.030 1 461 47 47 GLU CB C 29.301 0.068 1 462 47 47 GLU CG C 32.692 0.000 1 463 47 47 GLU N N 119.415 0.130 1 464 48 48 MET H H 8.596 0.006 1 465 48 48 MET HA H 4.758 0.002 1 466 48 48 MET HB3 H 1.887 0.000 1 467 48 48 MET HG2 H 2.506 0.000 1 468 48 48 MET HE H 1.900 0.000 1 469 48 48 MET C C 174.991 0.007 1 470 48 48 MET CA C 53.410 0.019 1 471 48 48 MET CB C 30.161 0.069 1 472 48 48 MET CE C 14.815 0.000 1 473 48 48 MET N N 121.491 0.048 1 474 49 49 LYS H H 8.776 0.006 1 475 49 49 LYS HA H 4.326 0.003 1 476 49 49 LYS HB2 H 1.565 0.000 2 477 49 49 LYS HB3 H 1.501 0.000 2 478 49 49 LYS HG3 H 0.325 0.000 1 479 49 49 LYS HD3 H 1.067 0.001 1 480 49 49 LYS C C 173.535 0.011 1 481 49 49 LYS CA C 53.342 0.061 1 482 49 49 LYS CB C 33.273 0.025 1 483 49 49 LYS CG C 23.600 0.032 1 484 49 49 LYS CD C 27.667 0.000 1 485 49 49 LYS N N 125.856 0.037 1 486 50 50 GLU H H 8.037 0.007 1 487 50 50 GLU HA H 5.136 0.005 1 488 50 50 GLU HB2 H 1.852 0.000 2 489 50 50 GLU HB3 H 1.922 0.000 2 490 50 50 GLU HG2 H 2.292 0.000 1 491 50 50 GLU C C 174.445 0.006 1 492 50 50 GLU CA C 53.756 0.056 1 493 50 50 GLU CB C 30.124 0.066 1 494 50 50 GLU CG C 31.961 0.007 1 495 50 50 GLU N N 118.601 0.059 1 496 51 51 GLN H H 8.931 0.007 1 497 51 51 GLN HA H 4.754 0.009 1 498 51 51 GLN HB2 H 2.167 0.002 2 499 51 51 GLN HB3 H 2.182 0.000 2 500 51 51 GLN HG2 H 2.366 0.000 2 501 51 51 GLN HG3 H 2.319 0.000 2 502 51 51 GLN C C 173.462 0.014 1 503 51 51 GLN CA C 53.944 0.012 1 504 51 51 GLN CB C 31.440 0.000 1 505 51 51 GLN CG C 32.824 0.000 1 506 51 51 GLN N N 122.291 0.037 1 507 52 52 THR HA H 4.878 0.001 1 508 52 52 THR HB H 3.793 0.001 1 509 52 52 THR HG2 H 0.544 0.005 1 510 52 52 THR C C 172.601 0.008 1 511 52 52 THR CA C 61.340 0.059 1 512 52 52 THR CB C 69.426 0.071 1 513 52 52 THR CG2 C 20.663 0.074 1 514 53 53 GLU H H 8.788 0.008 1 515 53 53 GLU HA H 4.566 0.007 1 516 53 53 GLU HB2 H 2.103 0.000 2 517 53 53 GLU HB3 H 1.821 0.000 2 518 53 53 GLU C C 173.082 0.022 1 519 53 53 GLU CA C 53.294 0.061 1 520 53 53 GLU CB C 30.530 0.088 1 521 53 53 GLU CG C 32.807 0.000 1 522 53 53 GLU N N 125.736 0.039 1 523 54 54 TRP H H 8.622 0.008 1 524 54 54 TRP HA H 5.294 0.004 1 525 54 54 TRP HB2 H 2.936 0.007 2 526 54 54 TRP HB3 H 2.961 0.007 2 527 54 54 TRP HD1 H 7.147 0.005 1 528 54 54 TRP HE1 H 10.199 0.005 1 529 54 54 TRP HE3 H 7.364 0.010 1 530 54 54 TRP HZ2 H 7.470 0.005 1 531 54 54 TRP HZ3 H 6.874 0.005 1 532 54 54 TRP HH2 H 7.174 0.006 1 533 54 54 TRP C C 175.666 0.002 1 534 54 54 TRP CA C 55.388 0.034 1 535 54 54 TRP CB C 30.420 0.110 1 536 54 54 TRP CD1 C 124.954 0.790 1 537 54 54 TRP CE3 C 118.353 0.951 1 538 54 54 TRP CZ2 C 112.847 0.754 1 539 54 54 TRP CZ3 C 119.031 0.039 1 540 54 54 TRP CH2 C 121.548 0.000 1 541 54 54 TRP N N 122.858 0.022 1 542 54 54 TRP NE1 N 129.431 0.068 1 543 55 55 HIS H H 9.212 0.007 1 544 55 55 HIS HA H 4.899 0.007 1 545 55 55 HIS HB2 H 2.978 0.007 2 546 55 55 HIS HB3 H 2.821 0.010 2 547 55 55 HIS HD2 H 7.335 0.012 1 548 55 55 HIS HE1 H 8.624 0.007 1 549 55 55 HIS C C 172.668 0.027 1 550 55 55 HIS CA C 53.426 0.053 1 551 55 55 HIS CB C 30.367 0.095 1 552 55 55 HIS CD2 C 119.777 0.062 1 553 55 55 HIS CE1 C 134.229 0.000 1 554 55 55 HIS N N 117.950 0.050 1 555 56 56 ARG H H 9.079 0.010 1 556 56 56 ARG HA H 4.818 0.004 1 557 56 56 ARG HG3 H 1.885 0.000 1 558 56 56 ARG C C 173.896 0.013 1 559 56 56 ARG CA C 55.353 0.037 1 560 56 56 ARG CB C 30.063 0.038 1 561 56 56 ARG CG C 26.698 0.000 1 562 56 56 ARG N N 125.639 0.050 1 563 57 57 VAL H H 8.976 0.005 1 564 57 57 VAL HA H 5.111 0.003 1 565 57 57 VAL HB H 1.838 0.003 1 566 57 57 VAL HG1 H 0.749 0.004 2 567 57 57 VAL HG2 H 0.699 0.002 2 568 57 57 VAL C C 172.556 0.012 1 569 57 57 VAL CA C 59.353 0.068 1 570 57 57 VAL CB C 33.345 0.138 1 571 57 57 VAL CG1 C 20.881 0.000 2 572 57 57 VAL CG2 C 20.182 0.065 2 573 57 57 VAL N N 126.641 0.043 1 574 58 58 VAL H H 9.113 0.006 1 575 58 58 VAL HA H 4.833 0.006 1 576 58 58 VAL HB H 1.813 0.007 1 577 58 58 VAL HG1 H 0.764 0.004 2 578 58 58 VAL HG2 H 0.522 0.004 2 579 58 58 VAL C C 173.155 0.023 1 580 58 58 VAL CA C 59.897 0.052 1 581 58 58 VAL CB C 33.267 0.106 1 582 58 58 VAL CG1 C 19.999 0.089 2 583 58 58 VAL CG2 C 21.393 0.018 2 584 58 58 VAL N N 127.672 0.064 1 585 59 59 LEU H H 8.856 0.005 1 586 59 59 LEU C C 174.225 0.000 1 587 59 59 LEU CA C 52.365 0.000 1 588 59 59 LEU CB C 43.505 0.000 1 589 59 59 LEU N N 124.332 0.040 1 590 60 60 PHE H H 8.376 0.004 1 591 60 60 PHE HA H 5.212 0.006 1 592 60 60 PHE HB2 H 2.863 0.004 2 593 60 60 PHE HB3 H 3.227 0.004 2 594 60 60 PHE HD1 H 7.241 0.005 3 595 60 60 PHE HD2 H 7.241 0.005 3 596 60 60 PHE HE1 H 7.179 0.008 3 597 60 60 PHE HE2 H 7.179 0.008 3 598 60 60 PHE HZ H 7.123 0.003 1 599 60 60 PHE C C 176.681 0.005 1 600 60 60 PHE CA C 55.899 0.077 1 601 60 60 PHE CB C 42.393 0.048 1 602 60 60 PHE CD1 C 130.219 0.780 3 603 60 60 PHE CD2 C 130.219 0.780 3 604 60 60 PHE CE1 C 129.406 0.827 3 605 60 60 PHE CE2 C 129.406 0.827 3 606 60 60 PHE CZ C 127.882 0.921 1 607 60 60 PHE N N 118.554 0.018 1 608 61 61 GLY H H 8.944 0.005 1 609 61 61 GLY HA2 H 4.123 0.000 2 610 61 61 GLY HA3 H 4.065 0.012 2 611 61 61 GLY C C 175.341 0.016 1 612 61 61 GLY CA C 45.484 0.046 1 613 61 61 GLY N N 109.152 0.050 1 614 62 62 LYS H H 9.096 0.007 1 615 62 62 LYS HA H 4.111 0.006 1 616 62 62 LYS HB3 H 1.982 0.012 1 617 62 62 LYS HG3 H 1.575 0.000 1 618 62 62 LYS C C 177.862 0.006 1 619 62 62 LYS CA C 58.200 0.055 1 620 62 62 LYS CB C 31.071 0.071 1 621 62 62 LYS CG C 23.896 0.051 1 622 62 62 LYS CD C 27.841 0.006 1 623 62 62 LYS N N 126.668 0.041 1 624 63 63 LEU H H 7.990 0.007 1 625 63 63 LEU HA H 4.096 0.004 1 626 63 63 LEU HB2 H 1.941 0.006 2 627 63 63 LEU HB3 H 1.417 0.003 2 628 63 63 LEU HG H 1.002 0.006 1 629 63 63 LEU HD1 H 1.011 0.000 1 630 63 63 LEU C C 177.702 0.021 1 631 63 63 LEU CA C 56.584 0.060 1 632 63 63 LEU CB C 40.955 0.078 1 633 63 63 LEU CG C 25.037 0.103 1 634 63 63 LEU CD1 C 22.195 0.036 2 635 63 63 LEU CD2 C 22.433 0.000 2 636 63 63 LEU N N 115.529 0.056 1 637 64 64 ALA H H 7.043 0.006 1 638 64 64 ALA HA H 3.717 0.004 1 639 64 64 ALA HB H 1.194 0.007 1 640 64 64 ALA C C 178.089 0.009 1 641 64 64 ALA CA C 53.636 0.026 1 642 64 64 ALA CB C 17.470 0.068 1 643 64 64 ALA N N 120.298 0.061 1 644 65 65 GLU H H 7.397 0.006 1 645 65 65 GLU HA H 3.949 0.001 1 646 65 65 GLU C C 178.352 0.039 1 647 65 65 GLU CA C 57.833 0.043 1 648 65 65 GLU CB C 27.160 0.000 1 649 65 65 GLU N N 116.960 0.102 1 650 66 66 VAL H H 8.231 0.009 1 651 66 66 VAL HA H 3.818 0.004 1 652 66 66 VAL HB H 2.139 0.001 1 653 66 66 VAL HG1 H 1.151 0.000 2 654 66 66 VAL HG2 H 1.005 0.003 2 655 66 66 VAL C C 177.420 0.021 1 656 66 66 VAL CA C 65.463 0.062 1 657 66 66 VAL CB C 30.927 0.041 1 658 66 66 VAL CG1 C 21.164 0.013 2 659 66 66 VAL CG2 C 20.861 0.019 2 660 66 66 VAL N N 120.511 0.039 1 661 67 67 ALA H H 8.074 0.006 1 662 67 67 ALA HA H 3.912 0.003 1 663 67 67 ALA HB H 1.266 0.000 1 664 67 67 ALA C C 177.697 0.013 1 665 67 67 ALA CA C 54.092 0.027 1 666 67 67 ALA CB C 17.393 0.064 1 667 67 67 ALA N N 120.627 0.044 1 668 68 68 SER H H 7.748 0.003 1 669 68 68 SER HB3 H 3.943 0.000 1 670 68 68 SER C C 175.413 0.023 1 671 68 68 SER CA C 59.825 0.038 1 672 68 68 SER CB C 62.312 0.070 1 673 68 68 SER N N 109.165 0.043 1 674 69 69 GLU H H 7.722 0.007 1 675 69 69 GLU HA H 4.047 0.003 1 676 69 69 GLU HB2 H 1.404 0.002 2 677 69 69 GLU HB3 H 1.865 0.007 2 678 69 69 GLU HG2 H 1.771 0.006 2 679 69 69 GLU HG3 H 2.209 0.003 2 680 69 69 GLU C C 176.981 0.008 1 681 69 69 GLU CA C 57.090 0.027 1 682 69 69 GLU CB C 28.350 0.065 1 683 69 69 GLU CG C 31.927 0.041 1 684 69 69 GLU N N 118.669 0.061 1 685 70 70 TYR H H 7.984 0.004 1 686 70 70 TYR HA H 4.767 0.003 1 687 70 70 TYR HB2 H 2.682 0.006 2 688 70 70 TYR HB3 H 3.244 0.004 2 689 70 70 TYR HD1 H 7.308 0.006 3 690 70 70 TYR HD2 H 7.308 0.006 3 691 70 70 TYR HE1 H 6.805 0.007 3 692 70 70 TYR HE2 H 6.805 0.007 3 693 70 70 TYR C C 175.281 0.018 1 694 70 70 TYR CA C 58.463 0.020 1 695 70 70 TYR CB C 41.034 0.066 1 696 70 70 TYR CD1 C 131.564 0.826 3 697 70 70 TYR CD2 C 131.564 0.826 3 698 70 70 TYR CE1 C 115.782 0.817 3 699 70 70 TYR CE2 C 115.782 0.817 3 700 70 70 TYR N N 112.587 0.062 1 701 71 71 LEU H H 8.140 0.005 1 702 71 71 LEU HA H 4.696 0.006 1 703 71 71 LEU HG H 1.361 0.000 1 704 71 71 LEU HD1 H 0.909 0.000 1 705 71 71 LEU C C 174.555 0.013 1 706 71 71 LEU CA C 53.494 0.095 1 707 71 71 LEU CB C 42.192 0.029 1 708 71 71 LEU CG C 26.063 0.000 1 709 71 71 LEU CD1 C 18.438 0.000 1 710 71 71 LEU N N 117.531 0.066 1 711 72 72 ARG H H 8.340 0.006 1 712 72 72 ARG HA H 4.732 0.000 1 713 72 72 ARG HB2 H 2.034 0.000 1 714 72 72 ARG HG3 H 1.691 0.000 1 715 72 72 ARG C C 173.793 0.023 1 716 72 72 ARG CA C 51.976 0.011 1 717 72 72 ARG CB C 34.263 0.070 1 718 72 72 ARG CG C 25.653 0.000 1 719 72 72 ARG N N 118.110 0.046 1 720 73 73 LYS H H 8.941 0.011 1 721 73 73 LYS HA H 3.372 0.004 1 722 73 73 LYS HB2 H 1.561 0.005 2 723 73 73 LYS HB3 H 1.749 0.011 2 724 73 73 LYS HG2 H 1.279 0.003 2 725 73 73 LYS HG3 H 1.143 0.007 2 726 73 73 LYS HD2 H 1.139 0.007 2 727 73 73 LYS HD3 H 1.911 0.004 2 728 73 73 LYS HE3 H 3.045 0.003 1 729 73 73 LYS C C 175.940 0.007 1 730 73 73 LYS CA C 58.642 0.060 1 731 73 73 LYS CB C 31.555 0.036 1 732 73 73 LYS CG C 23.581 0.087 1 733 73 73 LYS CD C 28.771 0.024 1 734 73 73 LYS CE C 41.152 0.074 1 735 73 73 LYS N N 120.901 0.032 1 736 74 74 GLY H H 8.949 0.007 1 737 74 74 GLY HA2 H 3.747 0.001 2 738 74 74 GLY HA3 H 4.566 0.006 2 739 74 74 GLY C C 174.307 0.018 1 740 74 74 GLY CA C 44.239 0.058 1 741 74 74 GLY N N 115.802 0.038 1 742 75 75 SER H H 8.902 0.003 1 743 75 75 SER HA H 4.425 0.007 1 744 75 75 SER HB3 H 4.064 0.000 1 745 75 75 SER C C 171.519 0.010 1 746 75 75 SER CA C 60.601 0.093 1 747 75 75 SER CB C 63.427 0.053 1 748 75 75 SER N N 119.373 0.046 1 749 76 76 GLN H H 8.923 0.010 1 750 76 76 GLN HA H 5.131 0.003 1 751 76 76 GLN HB2 H 2.109 0.000 2 752 76 76 GLN HB3 H 1.934 0.003 2 753 76 76 GLN HG2 H 2.336 0.002 2 754 76 76 GLN HG3 H 2.184 0.003 2 755 76 76 GLN HE21 H 7.245 0.002 1 756 76 76 GLN HE22 H 6.767 0.004 1 757 76 76 GLN C C 175.028 0.010 1 758 76 76 GLN CA C 54.108 0.069 1 759 76 76 GLN CB C 29.503 0.058 1 760 76 76 GLN CG C 33.341 0.074 1 761 76 76 GLN N N 124.821 0.034 1 762 76 76 GLN NE2 N 110.289 0.035 1 763 77 77 VAL H H 8.999 0.007 1 764 77 77 VAL HA H 5.153 0.004 1 765 77 77 VAL HB H 1.928 0.003 1 766 77 77 VAL HG1 H 0.841 0.000 2 767 77 77 VAL HG2 H 0.701 0.004 2 768 77 77 VAL C C 170.729 0.013 1 769 77 77 VAL CA C 58.524 0.085 1 770 77 77 VAL CB C 35.846 0.056 1 771 77 77 VAL CG1 C 22.329 0.026 2 772 77 77 VAL CG2 C 19.715 0.082 2 773 77 77 VAL N N 119.453 0.042 1 774 78 78 TYR H H 8.675 0.005 1 775 78 78 TYR HA H 5.164 0.005 1 776 78 78 TYR HB2 H 2.889 0.018 2 777 78 78 TYR HB3 H 2.866 0.013 2 778 78 78 TYR HD1 H 6.837 0.004 3 779 78 78 TYR HD2 H 6.837 0.004 3 780 78 78 TYR HE1 H 6.584 0.003 3 781 78 78 TYR HE2 H 6.584 0.003 3 782 78 78 TYR C C 173.446 0.013 1 783 78 78 TYR CA C 55.315 0.082 1 784 78 78 TYR CB C 40.630 0.054 1 785 78 78 TYR CD1 C 131.083 0.985 3 786 78 78 TYR CD2 C 131.083 0.985 3 787 78 78 TYR CE1 C 116.788 1.008 3 788 78 78 TYR CE2 C 116.788 1.008 3 789 78 78 TYR N N 123.342 0.086 1 790 79 79 ILE H H 8.934 0.009 1 791 79 79 ILE HA H 4.795 0.001 1 792 79 79 ILE HB H 1.594 0.005 1 793 79 79 ILE HG12 H 1.255 0.005 2 794 79 79 ILE HG13 H 1.110 0.006 2 795 79 79 ILE HG2 H 0.627 0.010 1 796 79 79 ILE HD1 H 0.679 0.000 1 797 79 79 ILE C C 172.648 0.025 1 798 79 79 ILE CA C 56.484 0.028 1 799 79 79 ILE CB C 40.961 0.087 1 800 79 79 ILE CG1 C 26.304 0.042 1 801 79 79 ILE CG2 C 17.098 0.071 1 802 79 79 ILE CD1 C 12.334 0.107 1 803 79 79 ILE N N 126.773 0.049 1 804 80 80 GLU H H 8.303 0.009 1 805 80 80 GLU HA H 5.231 0.005 1 806 80 80 GLU HB2 H 2.007 0.000 2 807 80 80 GLU HB3 H 1.898 0.000 2 808 80 80 GLU HG2 H 2.268 0.000 1 809 80 80 GLU C C 174.531 0.000 1 810 80 80 GLU CA C 53.437 0.072 1 811 80 80 GLU CB C 30.760 0.086 1 812 80 80 GLU CG C 33.616 0.000 1 813 80 80 GLU N N 122.796 0.086 1 814 81 81 GLY H H 8.461 0.004 1 815 81 81 GLY HA2 H 3.536 0.006 2 816 81 81 GLY HA3 H 4.736 0.009 2 817 81 81 GLY C C 170.690 0.005 1 818 81 81 GLY CA C 44.421 0.038 1 819 81 81 GLY N N 109.021 0.038 1 820 82 82 GLN H H 8.671 0.005 1 821 82 82 GLN HA H 4.996 0.004 1 822 82 82 GLN HB2 H 2.059 0.000 2 823 82 82 GLN HB3 H 1.956 0.000 2 824 82 82 GLN HG3 H 2.379 0.001 1 825 82 82 GLN HE21 H 6.919 0.004 1 826 82 82 GLN HE22 H 7.576 0.002 1 827 82 82 GLN C C 174.021 0.015 1 828 82 82 GLN CA C 53.214 0.114 1 829 82 82 GLN CB C 31.332 0.054 1 830 82 82 GLN CG C 33.188 0.003 1 831 82 82 GLN N N 119.257 0.041 1 832 82 82 GLN NE2 N 111.746 0.043 1 833 83 83 LEU H H 8.859 0.007 1 834 83 83 LEU HA H 4.810 0.009 1 835 83 83 LEU HB2 H 1.676 0.019 2 836 83 83 LEU HB3 H 1.518 0.009 2 837 83 83 LEU HD1 H 0.861 0.019 2 838 83 83 LEU HD2 H 0.833 0.001 2 839 83 83 LEU C C 176.041 0.039 1 840 83 83 LEU CA C 54.389 0.046 1 841 83 83 LEU CB C 42.535 0.081 1 842 83 83 LEU CG C 26.158 0.040 1 843 83 83 LEU CD1 C 23.788 0.058 2 844 83 83 LEU CD2 C 23.915 0.086 2 845 83 83 LEU N N 125.265 0.036 1 846 84 84 ARG H H 9.329 0.004 1 847 84 84 ARG HA H 4.832 0.008 1 848 84 84 ARG HB2 H 1.787 0.008 2 849 84 84 ARG HB3 H 1.586 0.000 2 850 84 84 ARG HG3 H 1.876 0.000 1 851 84 84 ARG HD2 H 3.183 0.000 1 852 84 84 ARG C C 173.701 0.006 1 853 84 84 ARG CA C 54.081 0.056 1 854 84 84 ARG CB C 32.992 0.049 1 855 84 84 ARG CG C 25.797 0.000 1 856 84 84 ARG CD C 42.689 0.000 1 857 84 84 ARG N N 125.771 0.028 1 858 85 85 THR H H 8.801 0.004 1 859 85 85 THR HA H 5.158 0.004 1 860 85 85 THR HB H 4.002 0.002 1 861 85 85 THR HG2 H 1.233 0.003 1 862 85 85 THR C C 172.804 0.026 1 863 85 85 THR CA C 60.828 0.088 1 864 85 85 THR CB C 69.571 0.076 1 865 85 85 THR CG2 C 20.994 0.000 1 866 85 85 THR N N 120.341 0.048 1 867 86 86 ARG H H 9.028 0.003 1 868 86 86 ARG HA H 4.713 0.009 1 869 86 86 ARG HB2 H 1.606 0.000 2 870 86 86 ARG HB3 H 1.472 0.009 2 871 86 86 ARG HG3 H 1.772 0.000 1 872 86 86 ARG HD2 H 2.900 0.000 1 873 86 86 ARG C C 172.891 0.019 1 874 86 86 ARG CA C 53.798 0.033 1 875 86 86 ARG CB C 32.384 0.149 1 876 86 86 ARG CG C 26.253 0.000 1 877 86 86 ARG CD C 42.308 0.000 1 878 86 86 ARG N N 127.114 0.041 1 879 87 87 LYS H H 8.599 0.006 1 880 87 87 LYS HA H 5.024 0.007 1 881 87 87 LYS HB2 H 1.618 0.005 2 882 87 87 LYS HB3 H 1.697 0.003 2 883 87 87 LYS HG2 H 0.973 0.002 2 884 87 87 LYS HG3 H 1.069 0.004 2 885 87 87 LYS C C 174.681 0.021 1 886 87 87 LYS CA C 54.107 0.049 1 887 87 87 LYS CB C 33.571 0.047 1 888 87 87 LYS CG C 23.644 0.048 1 889 87 87 LYS CD C 28.500 0.017 1 890 87 87 LYS N N 126.421 0.046 1 891 88 88 TRP H H 8.894 0.004 1 892 88 88 TRP HA H 4.865 0.002 1 893 88 88 TRP HB2 H 3.123 0.008 2 894 88 88 TRP HB3 H 3.241 0.007 2 895 88 88 TRP HD1 H 6.871 0.004 1 896 88 88 TRP HE1 H 10.065 0.005 1 897 88 88 TRP HE3 H 7.276 0.007 1 898 88 88 TRP HZ2 H 7.267 0.009 1 899 88 88 TRP HZ3 H 6.930 0.005 1 900 88 88 TRP HH2 H 7.066 0.005 1 901 88 88 TRP C C 172.091 0.021 1 902 88 88 TRP CA C 54.853 0.048 1 903 88 88 TRP CB C 29.576 0.056 1 904 88 88 TRP CD1 C 125.018 0.584 1 905 88 88 TRP CE3 C 118.150 0.045 1 906 88 88 TRP CZ2 C 111.779 0.757 1 907 88 88 TRP CZ3 C 118.796 0.016 1 908 88 88 TRP CH2 C 122.057 0.904 1 909 88 88 TRP N N 126.333 0.055 1 910 88 88 TRP NE1 N 130.189 0.122 1 911 89 89 THR H H 8.438 0.004 1 912 89 89 THR HA H 4.732 0.008 1 913 89 89 THR HB H 3.819 0.002 1 914 89 89 THR HG2 H 1.142 0.002 1 915 89 89 THR C C 173.465 0.009 1 916 89 89 THR CA C 60.312 0.054 1 917 89 89 THR CB C 69.473 0.030 1 918 89 89 THR CG2 C 20.612 0.084 1 919 89 89 THR N N 116.208 0.104 1 920 90 90 ASP H H 8.404 0.005 1 921 90 90 ASP HA H 4.764 0.003 1 922 90 90 ASP HB2 H 3.368 0.002 2 923 90 90 ASP HB3 H 2.409 0.007 2 924 90 90 ASP C C 176.923 0.024 1 925 90 90 ASP CA C 51.636 0.057 1 926 90 90 ASP CB C 40.572 0.068 1 927 90 90 ASP N N 125.955 0.124 1 928 91 91 GLN H H 8.708 0.006 1 929 91 91 GLN HA H 4.166 0.002 1 930 91 91 GLN HB3 H 2.190 0.004 1 931 91 91 GLN HG3 H 2.507 0.003 1 932 91 91 GLN HE21 H 7.616 0.000 1 933 91 91 GLN HE22 H 6.904 0.001 1 934 91 91 GLN C C 175.821 0.015 1 935 91 91 GLN CA C 57.482 0.038 1 936 91 91 GLN CB C 27.292 0.030 1 937 91 91 GLN CG C 33.026 0.027 1 938 91 91 GLN N N 117.837 0.036 1 939 91 91 GLN NE2 N 112.462 0.007 1 940 92 92 SER H H 8.337 0.005 1 941 92 92 SER HA H 4.568 0.009 1 942 92 92 SER HB2 H 3.949 0.003 2 943 92 92 SER HB3 H 4.007 0.014 2 944 92 92 SER C C 173.800 0.004 1 945 92 92 SER CA C 57.488 0.052 1 946 92 92 SER CB C 63.264 0.115 1 947 92 92 SER N N 115.271 0.064 1 948 93 93 GLY H H 8.184 0.005 1 949 93 93 GLY HA2 H 3.524 0.004 2 950 93 93 GLY HA3 H 4.214 0.004 2 951 93 93 GLY C C 173.081 0.045 1 952 93 93 GLY CA C 44.286 0.051 1 953 93 93 GLY N N 110.025 0.051 1 954 94 94 GLN H H 7.907 0.029 1 955 94 94 GLN HA H 4.279 0.003 1 956 94 94 GLN HB2 H 2.177 0.002 2 957 94 94 GLN HB3 H 2.248 0.008 2 958 94 94 GLN HG3 H 1.902 0.000 1 959 94 94 GLN HE21 H 6.822 0.000 1 960 94 94 GLN HE22 H 7.591 0.000 1 961 94 94 GLN C C 174.130 0.017 1 962 94 94 GLN CA C 53.791 0.023 1 963 94 94 GLN CB C 28.632 0.046 1 964 94 94 GLN CG C 32.840 0.000 1 965 94 94 GLN N N 120.599 0.164 1 966 94 94 GLN NE2 N 113.134 0.030 1 967 95 95 ASP H H 8.559 0.008 1 968 95 95 ASP HA H 4.683 0.006 1 969 95 95 ASP HB2 H 2.588 0.004 2 970 95 95 ASP HB3 H 2.258 0.007 2 971 95 95 ASP C C 173.931 0.034 1 972 95 95 ASP CA C 53.171 0.100 1 973 95 95 ASP CB C 38.962 0.084 1 974 95 95 ASP N N 123.142 0.102 1 975 96 96 ARG H H 8.646 0.003 1 976 96 96 ARG HA H 4.239 0.003 1 977 96 96 ARG HB2 H 1.002 0.008 2 978 96 96 ARG HB3 H -0.143 0.016 2 979 96 96 ARG HG3 H 0.781 0.008 1 980 96 96 ARG C C 172.665 0.017 1 981 96 96 ARG CA C 52.358 0.038 1 982 96 96 ARG CB C 31.290 0.055 1 983 96 96 ARG CG C 25.174 0.014 1 984 96 96 ARG CD C 41.399 0.079 1 985 96 96 ARG N N 123.127 0.040 1 986 97 97 TYR H H 8.135 0.006 1 987 97 97 TYR HA H 5.441 0.004 1 988 97 97 TYR HB2 H 2.731 0.007 2 989 97 97 TYR HB3 H 2.798 0.013 2 990 97 97 TYR HD1 H 6.950 0.006 3 991 97 97 TYR HD2 H 6.950 0.006 3 992 97 97 TYR HE1 H 6.720 0.004 3 993 97 97 TYR HE2 H 6.720 0.004 3 994 97 97 TYR C C 175.467 0.015 1 995 97 97 TYR CA C 55.900 0.026 1 996 97 97 TYR CB C 40.180 0.046 1 997 97 97 TYR CD1 C 131.422 0.717 3 998 97 97 TYR CD2 C 131.422 0.717 3 999 97 97 TYR CE1 C 116.356 0.906 3 1000 97 97 TYR CE2 C 116.356 0.906 3 1001 97 97 TYR N N 116.891 0.037 1 1002 98 98 THR H H 9.103 0.004 1 1003 98 98 THR HA H 4.809 0.007 1 1004 98 98 THR HB H 4.126 0.008 1 1005 98 98 THR HG2 H 1.224 0.003 1 1006 98 98 THR C C 172.314 0.005 1 1007 98 98 THR CA C 60.510 0.082 1 1008 98 98 THR CB C 70.578 0.078 1 1009 98 98 THR CG2 C 20.650 0.005 1 1010 98 98 THR N N 118.123 0.089 1 1011 99 99 THR H H 8.685 0.005 1 1012 99 99 THR HA H 5.329 0.005 1 1013 99 99 THR HB H 4.076 0.000 1 1014 99 99 THR HG2 H 1.259 0.000 1 1015 99 99 THR C C 172.976 0.007 1 1016 99 99 THR CA C 60.637 0.037 1 1017 99 99 THR CB C 70.076 0.087 1 1018 99 99 THR CG2 C 21.288 0.000 1 1019 99 99 THR N N 120.734 0.083 1 1020 100 100 GLU H H 9.201 0.004 1 1021 100 100 GLU HA H 5.002 0.004 1 1022 100 100 GLU C C 172.136 0.008 1 1023 100 100 GLU CA C 52.878 0.059 1 1024 100 100 GLU CB C 31.411 0.086 1 1025 100 100 GLU N N 122.944 0.082 1 1026 101 101 VAL H H 8.694 0.009 1 1027 101 101 VAL HA H 4.638 0.006 1 1028 101 101 VAL HB H 1.970 0.002 1 1029 101 101 VAL HG1 H 0.552 0.003 2 1030 101 101 VAL HG2 H 0.847 0.003 2 1031 101 101 VAL C C 173.730 0.019 1 1032 101 101 VAL CA C 60.586 0.037 1 1033 101 101 VAL CB C 31.701 0.080 1 1034 101 101 VAL CG1 C 19.931 0.066 2 1035 101 101 VAL CG2 C 20.819 0.076 2 1036 101 101 VAL N N 121.652 0.052 1 1037 102 102 VAL H H 9.427 0.006 1 1038 102 102 VAL HA H 4.845 0.004 1 1039 102 102 VAL HB H 2.084 0.004 1 1040 102 102 VAL HG1 H 0.982 0.004 1 1041 102 102 VAL C C 175.040 0.008 1 1042 102 102 VAL CA C 59.968 0.060 1 1043 102 102 VAL CB C 33.065 0.109 1 1044 102 102 VAL CG1 C 20.568 0.062 1 1045 102 102 VAL N N 125.425 0.044 1 1046 103 103 VAL H H 9.126 0.006 1 1047 103 103 VAL HA H 4.334 0.007 1 1048 103 103 VAL HB H 2.268 0.002 1 1049 103 103 VAL HG1 H 0.735 0.006 2 1050 103 103 VAL HG2 H 0.965 0.002 2 1051 103 103 VAL C C 172.895 0.029 1 1052 103 103 VAL CA C 61.294 0.093 1 1053 103 103 VAL CB C 30.435 0.048 1 1054 103 103 VAL CG1 C 20.704 0.048 2 1055 103 103 VAL CG2 C 21.147 0.002 2 1056 103 103 VAL N N 129.418 0.035 1 1057 104 104 ASN H H 8.473 0.008 1 1058 104 104 ASN HA H 5.022 0.004 1 1059 104 104 ASN HB2 H 2.886 0.002 2 1060 104 104 ASN HB3 H 2.816 0.003 2 1061 104 104 ASN HD21 H 6.830 0.004 1 1062 104 104 ASN HD22 H 7.309 0.000 1 1063 104 104 ASN C C 174.302 0.012 1 1064 104 104 ASN CA C 50.881 0.039 1 1065 104 104 ASN CB C 38.417 0.037 1 1066 104 104 ASN N N 125.731 0.034 1 1067 104 104 ASN ND2 N 112.119 0.012 1 1068 105 105 VAL H H 8.212 0.005 1 1069 105 105 VAL HA H 3.967 0.002 1 1070 105 105 VAL HB H 2.103 0.001 1 1071 105 105 VAL HG1 H 1.019 0.005 2 1072 105 105 VAL HG2 H 1.069 0.000 2 1073 105 105 VAL C C 176.249 0.013 1 1074 105 105 VAL CA C 64.302 0.044 1 1075 105 105 VAL CB C 30.475 0.058 1 1076 105 105 VAL CG1 C 19.983 0.063 2 1077 105 105 VAL CG2 C 20.341 0.026 2 1078 105 105 VAL N N 121.249 0.023 1 1079 106 106 GLY H H 8.804 0.010 1 1080 106 106 GLY HA2 H 3.945 0.000 2 1081 106 106 GLY HA3 H 4.178 0.000 2 1082 106 106 GLY C C 174.089 0.015 1 1083 106 106 GLY CA C 44.254 0.063 1 1084 106 106 GLY N N 114.696 0.024 1 1085 107 107 GLY H H 8.334 0.008 1 1086 107 107 GLY HA2 H 3.958 0.001 2 1087 107 107 GLY HA3 H 4.474 0.003 2 1088 107 107 GLY C C 171.955 0.034 1 1089 107 107 GLY CA C 43.673 0.034 1 1090 107 107 GLY N N 109.968 0.030 1 1091 108 108 THR H H 8.745 0.006 1 1092 108 108 THR HA H 4.653 0.006 1 1093 108 108 THR HB H 4.082 0.001 1 1094 108 108 THR HG2 H 1.210 0.005 1 1095 108 108 THR C C 170.601 0.010 1 1096 108 108 THR CA C 61.043 0.058 1 1097 108 108 THR CB C 70.185 0.041 1 1098 108 108 THR CG2 C 28.280 0.000 1 1099 108 108 THR N N 113.463 0.027 1 1100 109 109 MET H H 8.033 0.006 1 1101 109 109 MET HA H 5.365 0.007 1 1102 109 109 MET HB3 H 2.352 0.001 1 1103 109 109 MET HG2 H 2.173 0.007 1 1104 109 109 MET HE H 1.945 0.001 1 1105 109 109 MET C C 173.279 0.026 1 1106 109 109 MET CA C 54.202 0.038 1 1107 109 109 MET CB C 35.228 0.020 1 1108 109 109 MET CG C 30.958 0.001 1 1109 109 109 MET CE C 16.274 0.019 1 1110 109 109 MET N N 123.517 0.041 1 1111 110 110 GLN H H 9.512 0.004 1 1112 110 110 GLN HA H 4.753 0.007 1 1113 110 110 GLN HB2 H 1.887 0.002 2 1114 110 110 GLN HB3 H 2.059 0.000 2 1115 110 110 GLN HG3 H 2.252 0.004 1 1116 110 110 GLN HE21 H 6.662 0.001 1 1117 110 110 GLN HE22 H 7.180 0.001 1 1118 110 110 GLN C C 173.810 0.011 1 1119 110 110 GLN CA C 53.218 0.046 1 1120 110 110 GLN CB C 31.183 0.068 1 1121 110 110 GLN CG C 32.335 0.091 1 1122 110 110 GLN N N 125.246 0.048 1 1123 110 110 GLN NE2 N 110.660 0.036 1 1124 111 111 MET H H 8.964 0.007 1 1125 111 111 MET HA H 4.533 0.006 1 1126 111 111 MET HB2 H 1.997 0.000 2 1127 111 111 MET HB3 H 2.122 0.000 2 1128 111 111 MET HG2 H 2.498 0.013 1 1129 111 111 MET HE H 1.896 0.006 1 1130 111 111 MET C C 174.667 0.005 1 1131 111 111 MET CA C 55.757 0.047 1 1132 111 111 MET CB C 32.359 0.084 1 1133 111 111 MET CG C 31.759 0.039 1 1134 111 111 MET CE C 16.059 0.032 1 1135 111 111 MET N N 124.478 0.027 1 1136 112 112 LEU H H 8.154 0.005 1 1137 112 112 LEU HA H 4.574 0.002 1 1138 112 112 LEU HB2 H 1.536 0.006 2 1139 112 112 LEU HB3 H 1.422 0.007 2 1140 112 112 LEU HG H 0.848 0.002 1 1141 112 112 LEU HD1 H 0.761 0.002 1 1142 112 112 LEU C C 176.260 0.011 1 1143 112 112 LEU CA C 53.393 0.064 1 1144 112 112 LEU CB C 41.850 0.052 1 1145 112 112 LEU CG C 25.125 0.089 1 1146 112 112 LEU CD1 C 21.735 0.057 1 1147 112 112 LEU N N 124.973 0.030 1 1148 113 113 GLY H H 8.445 0.006 1 1149 113 113 GLY HA3 H 3.954 0.001 1 1150 113 113 GLY C C 173.620 0.048 1 1151 113 113 GLY CA C 44.490 0.063 1 1152 113 113 GLY N N 108.779 0.038 1 1153 114 114 GLY H H 8.228 0.006 1 1154 114 114 GLY HA3 H 3.998 0.000 1 1155 114 114 GLY C C 173.221 0.030 1 1156 114 114 GLY CA C 44.222 0.044 1 1157 114 114 GLY N N 108.563 0.025 1 1158 115 115 ARG H H 8.316 0.007 1 1159 115 115 ARG HA H 4.342 0.002 1 1160 115 115 ARG HB2 H 1.750 0.000 2 1161 115 115 ARG HB3 H 1.843 0.000 2 1162 115 115 ARG HG3 H 1.615 0.007 1 1163 115 115 ARG HD2 H 3.164 0.001 1 1164 115 115 ARG C C 175.531 0.010 1 1165 115 115 ARG CA C 55.226 0.045 1 1166 115 115 ARG CB C 29.840 0.043 1 1167 115 115 ARG CG C 26.106 0.024 1 1168 115 115 ARG CD C 42.436 0.011 1 1169 115 115 ARG N N 120.588 0.038 1 1170 116 116 GLN H H 8.562 0.005 1 1171 116 116 GLN HA H 4.367 0.005 1 1172 116 116 GLN HB2 H 1.990 0.000 2 1173 116 116 GLN HB3 H 2.126 0.000 2 1174 116 116 GLN HG3 H 2.359 0.000 1 1175 116 116 GLN HE21 H 6.844 0.003 1 1176 116 116 GLN HE22 H 7.495 0.003 1 1177 116 116 GLN C C 175.524 0.033 1 1178 116 116 GLN CA C 55.121 0.056 1 1179 116 116 GLN CG C 32.874 0.000 1 1180 116 116 GLN N N 121.856 0.039 1 1181 116 116 GLN NE2 N 112.336 0.007 1 1182 117 117 GLY H H 8.452 0.005 1 1183 117 117 GLY HA3 H 3.977 0.004 1 1184 117 117 GLY C C 173.662 0.006 1 1185 117 117 GLY CA C 44.368 0.028 1 1186 117 117 GLY N N 110.381 0.052 1 1187 118 118 GLY H H 8.287 0.006 1 1188 118 118 GLY HA3 H 3.975 0.003 1 1189 118 118 GLY CA C 44.357 0.093 1 1190 118 118 GLY N N 108.469 0.036 1 1191 119 119 GLY H H 8.281 0.005 1 1192 119 119 GLY HA3 H 3.936 0.001 1 1193 119 119 GLY C C 172.452 0.007 1 1194 119 119 GLY CA C 43.904 0.044 1 1195 119 119 GLY N N 108.555 0.045 1 1196 120 120 ALA H H 8.145 0.005 1 1197 120 120 ALA HA H 4.554 0.003 1 1198 120 120 ALA C C 174.627 0.006 1 1199 120 120 ALA CA C 49.513 0.019 1 1200 120 120 ALA CB C 17.281 0.026 1 1201 120 120 ALA N N 124.610 0.038 1 1202 121 121 PRO HA H 4.390 0.002 1 1203 121 121 PRO HB3 H 2.247 0.000 1 1204 121 121 PRO HG2 H 1.970 0.000 2 1205 121 121 PRO HG3 H 1.903 0.000 2 1206 121 121 PRO HD2 H 3.585 0.000 2 1207 121 121 PRO HD3 H 3.748 0.000 2 1208 121 121 PRO C C 175.837 0.008 1 1209 121 121 PRO CA C 62.160 0.055 1 1210 121 121 PRO CB C 31.025 0.025 1 1211 121 121 PRO CG C 26.438 0.000 1 1212 121 121 PRO CD C 49.594 0.000 1 1213 122 122 ALA H H 8.425 0.005 1 1214 122 122 ALA HA H 4.306 0.004 1 1215 122 122 ALA HB H 1.392 0.000 1 1216 122 122 ALA C C 177.312 0.008 1 1217 122 122 ALA CA C 51.685 0.057 1 1218 122 122 ALA CB C 18.253 0.038 1 1219 122 122 ALA N N 124.410 0.034 1 1220 123 123 GLY H H 8.362 0.007 1 1221 123 123 GLY HA3 H 3.988 0.002 1 1222 123 123 GLY C C 173.637 0.055 1 1223 123 123 GLY CA C 44.379 0.031 1 1224 123 123 GLY N N 108.125 0.049 1 1225 124 124 GLY H H 8.315 0.003 1 1226 124 124 GLY C C 173.121 0.086 1 1227 124 124 GLY CA C 44.273 0.056 1 1228 124 124 GLY N N 108.619 0.048 1 1229 125 125 ASN H H 8.362 0.003 1 1230 125 125 ASN HA H 4.745 0.002 1 1231 125 125 ASN HB2 H 2.809 0.001 2 1232 125 125 ASN HB3 H 2.718 0.004 2 1233 125 125 ASN HD21 H 7.565 0.003 1 1234 125 125 ASN HD22 H 6.910 0.012 1 1235 125 125 ASN C C 174.443 0.020 1 1236 125 125 ASN CA C 52.217 0.060 1 1237 125 125 ASN CB C 37.942 0.048 1 1238 125 125 ASN N N 118.168 0.037 1 1239 125 125 ASN ND2 N 112.683 0.009 1 1240 126 126 ILE H H 8.171 0.005 1 1241 126 126 ILE HA H 4.174 0.003 1 1242 126 126 ILE HB H 1.888 0.002 1 1243 126 126 ILE HG12 H 1.165 0.001 2 1244 126 126 ILE HG13 H 1.441 0.001 2 1245 126 126 ILE HG2 H 0.882 0.002 1 1246 126 126 ILE HD1 H 0.834 0.000 1 1247 126 126 ILE C C 175.896 0.007 1 1248 126 126 ILE CA C 60.579 0.029 1 1249 126 126 ILE CB C 37.664 0.050 1 1250 126 126 ILE CG1 C 26.291 0.015 1 1251 126 126 ILE CG2 C 16.596 0.028 1 1252 126 126 ILE CD1 C 12.093 0.051 1 1253 126 126 ILE N N 120.959 0.040 1 1254 127 127 GLY H H 8.493 0.005 1 1255 127 127 GLY HA3 H 3.974 0.004 1 1256 127 127 GLY C C 173.752 0.016 1 1257 127 127 GLY CA C 44.424 0.017 1 1258 127 127 GLY N N 112.571 0.038 1 1259 128 128 GLY H H 8.251 0.005 1 1260 128 128 GLY CA C 44.408 0.000 1 1261 128 128 GLY N N 108.641 0.044 1 1262 129 129 GLY HA3 H 3.953 0.000 1 1263 129 129 GLY CA C 44.083 0.020 1 1264 130 130 GLN H H 8.212 0.006 1 1265 130 130 GLN HA H 4.595 0.004 1 1266 130 130 GLN HB2 H 2.082 0.001 2 1267 130 130 GLN HB3 H 1.904 0.003 2 1268 130 130 GLN HG2 H 2.367 0.000 2 1269 130 130 GLN HG3 H 2.335 0.002 2 1270 130 130 GLN C C 173.146 0.046 1 1271 130 130 GLN CA C 52.710 0.042 1 1272 130 130 GLN CB C 28.246 0.246 1 1273 130 130 GLN CG C 32.452 0.000 1 1274 130 130 GLN N N 120.447 0.027 1 1275 131 131 PRO HA H 4.391 0.008 1 1276 131 131 PRO HB3 H 2.215 0.000 1 1277 131 131 PRO HG3 H 1.865 0.000 1 1278 131 131 PRO HD2 H 3.464 0.004 2 1279 131 131 PRO HD3 H 3.641 0.003 2 1280 131 131 PRO C C 176.050 0.019 1 1281 131 131 PRO CA C 62.327 0.051 1 1282 131 131 PRO CB C 31.077 0.000 1 1283 131 131 PRO CG C 26.438 0.000 1 1284 131 131 PRO CD C 49.628 0.091 1 1285 132 132 GLN H H 8.537 0.005 1 1286 132 132 GLN HA H 4.271 0.000 1 1287 132 132 GLN HB2 H 1.974 0.000 2 1288 132 132 GLN HB3 H 2.097 0.000 2 1289 132 132 GLN HG3 H 2.374 0.001 1 1290 132 132 GLN C C 175.608 0.006 1 1291 132 132 GLN CA C 55.179 0.034 1 1292 132 132 GLN CB C 28.423 0.017 1 1293 132 132 GLN CG C 32.841 0.000 1 1294 132 132 GLN N N 120.817 0.034 1 1295 133 133 GLY H H 8.380 0.006 1 1296 133 133 GLY HA3 H 3.906 0.009 1 1297 133 133 GLY C C 173.474 0.004 1 1298 133 133 GLY CA C 44.341 0.031 1 1299 133 133 GLY N N 109.977 0.037 1 1300 134 134 GLY H H 8.124 0.005 1 1301 134 134 GLY HA3 H 3.937 0.002 1 1302 134 134 GLY C C 172.864 0.029 1 1303 134 134 GLY CA C 44.163 0.044 1 1304 134 134 GLY N N 108.302 0.048 1 1305 135 135 TRP H H 8.053 0.005 1 1306 135 135 TRP HA H 4.631 0.006 1 1307 135 135 TRP HB2 H 3.174 0.007 2 1308 135 135 TRP HB3 H 3.293 0.005 2 1309 135 135 TRP HD1 H 7.228 0.004 1 1310 135 135 TRP HE1 H 10.093 0.002 1 1311 135 135 TRP HE3 H 7.578 0.007 1 1312 135 135 TRP HZ2 H 7.433 0.012 1 1313 135 135 TRP HZ3 H 7.080 0.010 1 1314 135 135 TRP HH2 H 7.159 0.009 1 1315 135 135 TRP C C 175.851 0.007 1 1316 135 135 TRP CA C 56.518 0.022 1 1317 135 135 TRP CB C 28.733 0.060 1 1318 135 135 TRP CD1 C 125.452 0.624 1 1319 135 135 TRP CE3 C 118.622 0.703 1 1320 135 135 TRP CZ2 C 112.337 0.702 1 1321 135 135 TRP CZ3 C 119.279 0.032 1 1322 135 135 TRP CH2 C 121.838 0.030 1 1323 135 135 TRP N N 120.341 0.061 1 1324 135 135 TRP NE1 N 129.245 0.110 1 1325 136 136 GLY H H 8.321 0.006 1 1326 136 136 GLY HA3 H 3.832 0.002 1 1327 136 136 GLY C C 172.651 0.029 1 1328 136 136 GLY CA C 44.227 0.022 1 1329 136 136 GLY N N 110.320 0.069 1 1330 137 137 GLN H H 8.044 0.003 1 1331 137 137 GLN HA H 4.560 0.000 1 1332 137 137 GLN HB2 H 1.883 0.002 2 1333 137 137 GLN HB3 H 2.079 0.002 2 1334 137 137 GLN HG2 H 2.330 0.000 2 1335 137 137 GLN HG3 H 2.364 0.000 2 1336 137 137 GLN C C 175.788 0.000 1 1337 137 137 GLN CA C 52.693 0.012 1 1338 137 137 GLN CB C 27.946 0.083 1 1339 137 137 GLN CG C 32.473 0.029 1 1340 137 137 GLN N N 120.365 0.018 1 1341 138 138 PRO HA H 4.405 0.003 1 1342 138 138 PRO HB3 H 2.270 0.000 1 1343 138 138 PRO HG2 H 1.992 0.000 2 1344 138 138 PRO HG3 H 1.885 0.000 2 1345 138 138 PRO C C 175.841 0.004 1 1346 138 138 PRO CA C 62.318 0.057 1 1347 138 138 PRO CB C 31.115 0.021 1 1348 138 138 PRO CG C 26.474 0.000 1 1349 138 138 PRO CD C 49.837 0.000 1 1350 139 139 GLN H H 8.466 0.005 1 1351 139 139 GLN HA H 4.297 0.005 1 1352 139 139 GLN HB2 H 1.953 0.000 2 1353 139 139 GLN HB3 H 2.073 0.000 2 1354 139 139 GLN HG3 H 2.361 0.000 1 1355 139 139 GLN C C 174.834 0.009 1 1356 139 139 GLN CA C 54.765 0.021 1 1357 139 139 GLN CB C 28.639 0.040 1 1358 139 139 GLN CG C 32.900 0.000 1 1359 139 139 GLN N N 120.396 0.039 1 1360 140 140 GLN H H 8.413 0.006 1 1361 140 140 GLN HB2 H 1.912 0.000 2 1362 140 140 GLN HB3 H 2.076 0.000 2 1363 140 140 GLN HG3 H 2.365 0.000 1 1364 140 140 GLN C C 173.084 0.000 1 1365 140 140 GLN CA C 52.735 0.000 1 1366 140 140 GLN CB C 27.978 0.000 1 1367 140 140 GLN N N 122.414 0.037 1 1368 141 141 PRO HA H 4.413 0.002 1 1369 141 141 PRO HB3 H 2.273 0.000 1 1370 141 141 PRO HG2 H 1.972 0.000 2 1371 141 141 PRO HG3 H 1.903 0.000 2 1372 141 141 PRO C C 176.041 0.008 1 1373 141 141 PRO CA C 62.381 0.078 1 1374 141 141 PRO CB C 31.120 0.028 1 1375 141 141 PRO CG C 26.477 0.000 1 1376 141 141 PRO CD C 49.885 0.000 1 1377 142 142 GLN H H 8.561 0.005 1 1378 142 142 GLN HA H 4.334 0.006 1 1379 142 142 GLN HB2 H 1.992 0.000 2 1380 142 142 GLN HB3 H 2.125 0.000 2 1381 142 142 GLN HG3 H 2.390 0.000 1 1382 142 142 GLN C C 175.616 0.008 1 1383 142 142 GLN CA C 55.007 0.037 1 1384 142 142 GLN CB C 28.545 0.069 1 1385 142 142 GLN CG C 32.840 0.021 1 1386 142 142 GLN N N 120.707 0.038 1 1387 143 143 GLY H H 8.437 0.006 1 1388 143 143 GLY HA3 H 3.951 0.007 1 1389 143 143 GLY C C 173.664 0.024 1 1390 143 143 GLY CA C 44.377 0.048 1 1391 143 143 GLY N N 110.046 0.056 1 1392 144 144 GLY H H 8.215 0.006 1 1393 144 144 GLY HA3 H 3.960 0.000 1 1394 144 144 GLY C C 172.916 0.079 1 1395 144 144 GLY CA C 44.275 0.030 1 1396 144 144 GLY N N 108.122 0.035 1 1397 145 145 ASN H H 8.369 0.005 1 1398 145 145 ASN HA H 4.680 0.004 1 1399 145 145 ASN HB2 H 2.753 0.006 2 1400 145 145 ASN HB3 H 2.786 0.008 2 1401 145 145 ASN C C 174.461 0.014 1 1402 145 145 ASN CA C 52.343 0.100 1 1403 145 145 ASN CB C 37.944 0.046 1 1404 145 145 ASN N N 118.446 0.068 1 1405 146 146 GLN H H 8.420 0.006 1 1406 146 146 GLN HA H 4.225 0.002 1 1407 146 146 GLN HB2 H 1.921 0.000 2 1408 146 146 GLN HB3 H 1.859 0.000 2 1409 146 146 GLN HG2 H 2.106 0.005 2 1410 146 146 GLN HG3 H 2.151 0.012 2 1411 146 146 GLN HE21 H 6.820 0.001 1 1412 146 146 GLN HE22 H 7.385 0.003 1 1413 146 146 GLN C C 174.750 0.033 1 1414 146 146 GLN CA C 55.356 0.023 1 1415 146 146 GLN CB C 28.164 0.026 1 1416 146 146 GLN CG C 32.604 0.052 1 1417 146 146 GLN N N 120.331 0.034 1 1418 146 146 GLN NE2 N 112.184 0.009 1 1419 147 147 PHE H H 8.263 0.006 1 1420 147 147 PHE HA H 4.692 0.007 1 1421 147 147 PHE HB2 H 3.185 0.003 2 1422 147 147 PHE HB3 H 3.005 0.005 2 1423 147 147 PHE HD1 H 7.248 0.003 3 1424 147 147 PHE HD2 H 7.248 0.003 3 1425 147 147 PHE HE1 H 7.328 0.002 3 1426 147 147 PHE HE2 H 7.328 0.002 3 1427 147 147 PHE HZ H 7.270 0.003 1 1428 147 147 PHE C C 174.976 0.017 1 1429 147 147 PHE CA C 56.690 0.034 1 1430 147 147 PHE CB C 38.467 0.026 1 1431 147 147 PHE CD1 C 130.196 0.848 3 1432 147 147 PHE CD2 C 130.196 0.848 3 1433 147 147 PHE CE1 C 129.118 0.614 3 1434 147 147 PHE CE2 C 129.118 0.614 3 1435 147 147 PHE CZ C 127.562 0.789 1 1436 147 147 PHE N N 120.574 0.053 1 1437 148 148 SER H H 8.215 0.005 1 1438 148 148 SER HA H 4.442 0.003 1 1439 148 148 SER HB3 H 3.857 0.000 1 1440 148 148 SER C C 173.944 0.005 1 1441 148 148 SER CA C 57.403 0.045 1 1442 148 148 SER CB C 62.979 0.015 1 1443 148 148 SER N N 117.453 0.053 1 1444 149 149 GLY H H 8.059 0.005 1 1445 149 149 GLY C C 173.643 0.000 1 1446 149 149 GLY CA C 44.563 0.000 1 1447 149 149 GLY N N 110.422 0.044 1 1448 150 150 GLY H H 8.272 0.002 1 1449 150 150 GLY HA3 H 3.973 0.000 1 1450 150 150 GLY C C 173.195 0.005 1 1451 150 150 GLY CA C 44.202 0.074 1 1452 150 150 GLY N N 108.597 0.017 1 1453 151 151 ALA H H 8.256 0.006 1 1454 151 151 ALA HA H 4.298 0.004 1 1455 151 151 ALA HB H 1.389 0.005 1 1456 151 151 ALA C C 176.993 0.012 1 1457 151 151 ALA CA C 51.838 0.078 1 1458 151 151 ALA CB C 18.193 0.026 1 1459 151 151 ALA N N 123.734 0.038 1 1460 152 152 GLN H H 8.376 0.006 1 1461 152 152 GLN HA H 4.339 0.008 1 1462 152 152 GLN HB2 H 2.128 0.000 2 1463 152 152 GLN HB3 H 1.984 0.003 2 1464 152 152 GLN HG3 H 2.364 0.001 1 1465 152 152 GLN C C 175.075 0.009 1 1466 152 152 GLN CA C 54.996 0.041 1 1467 152 152 GLN CB C 28.398 0.032 1 1468 152 152 GLN CG C 32.936 0.000 1 1469 152 152 GLN N N 118.751 0.035 1 1470 153 153 SER H H 8.221 0.005 1 1471 153 153 SER HA H 4.427 0.004 1 1472 153 153 SER HB3 H 3.848 0.000 1 1473 153 153 SER C C 173.067 0.016 1 1474 153 153 SER CA C 57.380 0.056 1 1475 153 153 SER CB C 62.945 0.025 1 1476 153 153 SER N N 116.722 0.040 1 1477 154 154 ARG H H 8.250 0.006 1 1478 154 154 ARG HA H 4.638 0.004 1 1479 154 154 ARG C C 173.172 0.001 1 1480 154 154 ARG CA C 53.051 0.022 1 1481 154 154 ARG CB C 29.322 0.016 1 1482 154 154 ARG CG C 25.782 0.000 1 1483 154 154 ARG N N 123.344 0.044 1 1484 155 155 PRO HA H 4.407 0.003 1 1485 155 155 PRO HB3 H 2.285 0.000 1 1486 155 155 PRO HG2 H 1.887 0.000 2 1487 155 155 PRO HG3 H 1.994 0.000 2 1488 155 155 PRO C C 176.021 0.005 1 1489 155 155 PRO CA C 62.354 0.095 1 1490 155 155 PRO CB C 31.096 0.033 1 1491 155 155 PRO CG C 26.433 0.000 1 1492 155 155 PRO CD C 49.840 0.000 1 1493 156 156 GLN H H 8.525 0.004 1 1494 156 156 GLN HA H 4.289 0.002 1 1495 156 156 GLN HB2 H 2.103 0.000 2 1496 156 156 GLN HB3 H 1.995 0.000 2 1497 156 156 GLN HG3 H 2.390 0.000 1 1498 156 156 GLN C C 175.085 0.023 1 1499 156 156 GLN CA C 55.040 0.045 1 1500 156 156 GLN CB C 28.504 0.038 1 1501 156 156 GLN CG C 32.873 0.032 1 1502 156 156 GLN N N 120.628 0.053 1 1503 157 157 GLN H H 8.428 0.006 1 1504 157 157 GLN HA H 4.382 0.002 1 1505 157 157 GLN HB2 H 2.001 0.000 2 1506 157 157 GLN HB3 H 2.123 0.000 2 1507 157 157 GLN HG3 H 2.372 0.000 1 1508 157 157 GLN HE21 H 6.824 0.000 1 1509 157 157 GLN HE22 H 7.436 0.000 1 1510 157 157 GLN C C 174.841 0.013 1 1511 157 157 GLN CA C 54.931 0.036 1 1512 157 157 GLN CB C 28.123 0.000 1 1513 157 157 GLN CG C 32.854 0.000 1 1514 157 157 GLN N N 121.499 0.042 1 1515 157 157 GLN NE2 N 111.172 0.031 1 1516 158 158 SER H H 8.345 0.005 1 1517 158 158 SER HA H 4.441 0.002 1 1518 158 158 SER HB3 H 3.848 0.000 1 1519 158 158 SER C C 172.660 0.014 1 1520 158 158 SER CA C 57.289 0.039 1 1521 158 158 SER CB C 63.025 0.052 1 1522 158 158 SER N N 117.286 0.042 1 1523 159 159 ALA H H 8.290 0.006 1 1524 159 159 ALA HB H 1.327 0.000 1 1525 159 159 ALA C C 174.340 0.000 1 1526 159 159 ALA CA C 49.497 0.032 1 1527 159 159 ALA CB C 17.327 0.073 1 1528 159 159 ALA N N 126.808 0.037 1 1529 160 160 PRO HA H 4.383 0.001 1 1530 160 160 PRO HB3 H 2.271 0.000 1 1531 160 160 PRO HG2 H 1.988 0.000 2 1532 160 160 PRO HG3 H 1.897 0.000 2 1533 160 160 PRO C C 175.536 0.010 1 1534 160 160 PRO CA C 62.038 0.038 1 1535 160 160 PRO CB C 31.083 0.015 1 1536 160 160 PRO CG C 26.352 0.000 1 1537 160 160 PRO CD C 49.595 0.000 1 1538 161 161 ALA H H 8.325 0.006 1 1539 161 161 ALA HA H 4.286 0.001 1 1540 161 161 ALA HB H 1.360 0.000 1 1541 161 161 ALA C C 176.075 0.006 1 1542 161 161 ALA CA C 51.133 0.045 1 1543 161 161 ALA CB C 18.398 0.046 1 1544 161 161 ALA N N 124.290 0.034 1 1545 162 162 ALA H H 8.238 0.007 1 1546 162 162 ALA C C 174.569 0.000 1 1547 162 162 ALA CA C 49.374 0.000 1 1548 162 162 ALA CB C 17.309 0.000 1 1549 162 162 ALA N N 124.562 0.088 1 1550 163 163 PRO HA H 4.432 0.002 1 1551 163 163 PRO HB3 H 2.288 0.000 1 1552 163 163 PRO HG3 H 1.943 0.000 1 1553 163 163 PRO C C 176.087 0.002 1 1554 163 163 PRO CA C 62.202 0.075 1 1555 163 163 PRO CB C 31.136 0.017 1 1556 163 163 PRO CG C 26.450 0.000 1 1557 163 163 PRO CD C 49.646 0.000 1 1558 164 164 SER H H 8.397 0.005 1 1559 164 164 SER HA H 4.431 0.003 1 1560 164 164 SER HB3 H 3.889 0.002 1 1561 164 164 SER C C 173.426 0.010 1 1562 164 164 SER CA C 57.403 0.069 1 1563 164 164 SER CB C 62.997 0.041 1 1564 164 164 SER N N 115.571 0.040 1 1565 165 165 ASN H H 8.437 0.004 1 1566 165 165 ASN HA H 4.760 0.006 1 1567 165 165 ASN HB2 H 2.818 0.000 1 1568 165 165 ASN C C 173.637 0.012 1 1569 165 165 ASN CA C 52.157 0.012 1 1570 165 165 ASN CB C 37.843 0.034 1 1571 165 165 ASN N N 120.182 0.053 1 1572 166 166 GLU H H 8.074 0.007 1 1573 166 166 GLU HA H 4.526 0.006 1 1574 166 166 GLU HB2 H 1.866 0.003 2 1575 166 166 GLU HB3 H 2.037 0.001 2 1576 166 166 GLU HG2 H 2.302 0.009 1 1577 166 166 GLU C C 172.328 0.004 1 1578 166 166 GLU CA C 52.721 0.049 1 1579 166 166 GLU CB C 27.878 0.018 1 1580 166 166 GLU CG C 32.387 0.000 1 1581 166 166 GLU N N 120.899 0.040 1 1582 167 167 PRO HD2 H 3.463 0.000 2 1583 167 167 PRO HD3 H 3.642 0.000 2 1584 168 168 PRO HA H 4.316 0.003 1 1585 168 168 PRO HB3 H 2.210 0.003 1 1586 168 168 PRO HG3 H 1.823 0.004 1 1587 168 168 PRO C C 175.897 0.007 1 1588 168 168 PRO CA C 61.964 0.086 1 1589 168 168 PRO CB C 30.927 0.109 1 1590 168 168 PRO CG C 26.366 0.013 1 1591 168 168 PRO CD C 49.360 0.054 1 1592 169 169 MET H H 8.303 0.005 1 1593 169 169 MET HA H 4.270 0.007 1 1594 169 169 MET HB3 H 1.832 0.006 1 1595 169 169 MET HG2 H 2.379 0.000 2 1596 169 169 MET HG3 H 2.427 0.000 2 1597 169 169 MET HE H 1.971 0.001 1 1598 169 169 MET C C 174.540 0.004 1 1599 169 169 MET CA C 54.730 0.026 1 1600 169 169 MET CB C 32.064 0.061 1 1601 169 169 MET CE C 16.233 0.026 1 1602 169 169 MET N N 119.839 0.077 1 1603 170 170 ASP H H 8.220 0.008 1 1604 170 170 ASP HA H 4.573 0.005 1 1605 170 170 ASP HB2 H 2.699 0.008 2 1606 170 170 ASP HB3 H 2.616 0.007 2 1607 170 170 ASP C C 174.092 0.017 1 1608 170 170 ASP CA C 52.240 0.077 1 1609 170 170 ASP CB C 38.604 0.049 1 1610 170 170 ASP N N 119.693 0.086 1 1611 171 171 PHE H H 8.133 0.003 1 1612 171 171 PHE HA H 4.448 0.008 1 1613 171 171 PHE HB2 H 2.986 0.006 2 1614 171 171 PHE HB3 H 2.862 0.006 2 1615 171 171 PHE HD1 H 7.108 0.005 3 1616 171 171 PHE HD2 H 7.108 0.005 3 1617 171 171 PHE HE1 H 7.232 0.000 3 1618 171 171 PHE HE2 H 7.232 0.000 3 1619 171 171 PHE HZ H 7.134 0.000 1 1620 171 171 PHE C C 174.205 0.001 1 1621 171 171 PHE CA C 57.071 0.080 1 1622 171 171 PHE CB C 38.932 0.035 1 1623 171 171 PHE CD1 C 130.501 0.798 3 1624 171 171 PHE CD2 C 130.501 0.798 3 1625 171 171 PHE N N 120.081 0.069 1 1626 172 172 ASP H H 8.283 0.006 1 1627 172 172 ASP HA H 4.582 0.009 1 1628 172 172 ASP HB2 H 2.598 0.006 2 1629 172 172 ASP HB3 H 2.721 0.012 2 1630 172 172 ASP C C 173.820 0.000 1 1631 172 172 ASP CA C 52.392 0.080 1 1632 172 172 ASP CB C 38.513 0.061 1 1633 172 172 ASP N N 119.483 0.103 1 1634 173 173 ASP HA H 4.660 0.006 1 1635 173 173 ASP HB2 H 2.666 0.009 2 1636 173 173 ASP HB3 H 2.841 0.005 2 1637 173 173 ASP CA C 52.626 0.067 1 1638 173 173 ASP CB C 38.373 0.037 1 1639 174 174 ASP H H 8.171 0.006 1 1640 174 174 ASP HA H 4.622 0.004 1 1641 174 174 ASP HB2 H 2.699 0.004 2 1642 174 174 ASP HB3 H 2.798 0.012 2 1643 174 174 ASP C C 173.804 0.014 1 1644 174 174 ASP CA C 52.422 0.083 1 1645 174 174 ASP CB C 38.162 0.118 1 1646 174 174 ASP N N 118.895 0.065 1 1647 175 175 ILE H H 7.714 0.005 1 1648 175 175 ILE HA H 4.258 0.005 1 1649 175 175 ILE HB H 1.710 0.002 1 1650 175 175 ILE HG12 H 1.365 0.006 2 1651 175 175 ILE HG13 H 0.989 0.005 2 1652 175 175 ILE HG2 H 0.734 0.006 1 1653 175 175 ILE HD1 H 0.754 0.004 1 1654 175 175 ILE C C 173.409 0.006 1 1655 175 175 ILE CA C 57.544 0.072 1 1656 175 175 ILE CB C 37.840 0.055 1 1657 175 175 ILE CG1 C 25.990 0.053 1 1658 175 175 ILE CG2 C 16.342 0.137 1 1659 175 175 ILE CD1 C 12.031 0.029 1 1660 175 175 ILE N N 121.560 0.084 1 1661 176 176 PRO HA H 4.315 0.007 1 1662 176 176 PRO HB2 H 1.853 0.035 2 1663 176 176 PRO HB3 H 2.052 0.003 2 1664 176 176 PRO HG3 H 1.808 0.007 1 1665 176 176 PRO HD2 H 3.637 0.001 2 1666 176 176 PRO HD3 H 3.392 0.003 2 1667 176 176 PRO C C 174.579 0.007 1 1668 176 176 PRO CA C 62.252 0.079 1 1669 176 176 PRO CB C 30.887 0.166 1 1670 176 176 PRO CG C 26.190 0.000 1 1671 176 176 PRO CD C 50.053 0.000 1 1672 177 177 PHE H H 7.594 0.015 1 1673 177 177 PHE HA H 4.387 0.003 1 1674 177 177 PHE HB2 H 2.935 0.004 2 1675 177 177 PHE HB3 H 3.027 0.008 2 1676 177 177 PHE HD1 H 7.171 0.007 3 1677 177 177 PHE HD2 H 7.171 0.007 3 1678 177 177 PHE HE1 H 7.224 0.005 3 1679 177 177 PHE HE2 H 7.224 0.005 3 1680 177 177 PHE HZ H 7.141 0.002 1 1681 177 177 PHE C C 178.723 0.000 1 1682 177 177 PHE CA C 57.639 0.057 1 1683 177 177 PHE CB C 39.122 0.113 1 1684 177 177 PHE CD1 C 130.630 0.802 3 1685 177 177 PHE CD2 C 130.630 0.802 3 1686 177 177 PHE CE1 C 128.517 0.027 3 1687 177 177 PHE CE2 C 128.517 0.027 3 1688 177 177 PHE CZ C 127.695 0.943 1 1689 177 177 PHE N N 123.697 0.152 1 stop_ save_