data_16840 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignment of Darcin, a Major Urinary Protein of the mouse ; _BMRB_accession_number 16840 _BMRB_flat_file_name bmr16840.str _Entry_type original _Submission_date 2010-04-06 _Accession_date 2010-04-06 _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 Phelan Marie M. . 2 McLean Lynn . . 3 Simpson Deborah . . 4 Hurst Jane L. . 5 Beynon Robert J. . 6 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1010 "13C chemical shifts" 781 "15N chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C resonance assignment of darcin, a mouse major urinary protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20703836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 McLean Lynn . . 3 Simpson Deborah M. . 4 Hurst Jane L. . 5 Beynon Robert J. . 6 Lian Lu-Yun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 241 _Year 2010 _Details . loop_ _Keyword darcin 'Major Urinary Protein' 'male specific protein' MUP NMR 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name darcin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label darcin $darcin stop_ _System_molecular_weight 20533.9058 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_darcin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common darcin _Molecular_mass 20533.9058 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'pheromone binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MGSSHHHHHHIEGREEASSM ERNFNVEKINGEWYTIMLAT DKREKIEEHGSMRVFVEYIH VLENSLALKFHIIINEECSE IFLVADKTEKAGEYSVTYDG SNTFTILKTDYDNYIMIHLI NKKDGETFQLMELYGREPDL SSDIKEKFAQLSEEHGIVRE NIIDLTNANRCLEARE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 MET 2 7 GLY 3 8 SER 4 9 SER 5 10 HIS 6 11 HIS 7 12 HIS 8 13 HIS 9 14 HIS 10 15 HIS 11 16 ILE 12 17 GLU 13 18 GLY 14 19 ARG 15 20 GLU 16 21 GLU 17 22 ALA 18 23 SER 19 24 SER 20 25 MET 21 26 GLU 22 27 ARG 23 28 ASN 24 29 PHE 25 30 ASN 26 31 VAL 27 32 GLU 28 33 LYS 29 34 ILE 30 35 ASN 31 36 GLY 32 37 GLU 33 38 TRP 34 39 TYR 35 40 THR 36 41 ILE 37 42 MET 38 43 LEU 39 44 ALA 40 45 THR 41 46 ASP 42 47 LYS 43 48 ARG 44 49 GLU 45 50 LYS 46 51 ILE 47 52 GLU 48 53 GLU 49 54 HIS 50 55 GLY 51 56 SER 52 57 MET 53 58 ARG 54 59 VAL 55 60 PHE 56 61 VAL 57 62 GLU 58 63 TYR 59 64 ILE 60 65 HIS 61 66 VAL 62 67 LEU 63 68 GLU 64 69 ASN 65 70 SER 66 71 LEU 67 72 ALA 68 73 LEU 69 74 LYS 70 75 PHE 71 76 HIS 72 77 ILE 73 78 ILE 74 79 ILE 75 80 ASN 76 81 GLU 77 82 GLU 78 83 CYS 79 84 SER 80 85 GLU 81 86 ILE 82 87 PHE 83 88 LEU 84 89 VAL 85 90 ALA 86 91 ASP 87 92 LYS 88 93 THR 89 94 GLU 90 95 LYS 91 96 ALA 92 97 GLY 93 98 GLU 94 99 TYR 95 100 SER 96 101 VAL 97 102 THR 98 103 TYR 99 104 ASP 100 105 GLY 101 106 SER 102 107 ASN 103 108 THR 104 109 PHE 105 110 THR 106 111 ILE 107 112 LEU 108 113 LYS 109 114 THR 110 115 ASP 111 116 TYR 112 117 ASP 113 118 ASN 114 119 TYR 115 120 ILE 116 121 MET 117 122 ILE 118 123 HIS 119 124 LEU 120 125 ILE 121 126 ASN 122 127 LYS 123 128 LYS 124 129 ASP 125 130 GLY 126 131 GLU 127 132 THR 128 133 PHE 129 134 GLN 130 135 LEU 131 136 MET 132 137 GLU 133 138 LEU 134 139 TYR 135 140 GLY 136 141 ARG 137 142 GLU 138 143 PRO 139 144 ASP 140 145 LEU 141 146 SER 142 147 SER 143 148 ASP 144 149 ILE 145 150 LYS 146 151 GLU 147 152 LYS 148 153 PHE 149 154 ALA 150 155 GLN 151 156 LEU 152 157 SER 153 158 GLU 154 159 GLU 155 160 HIS 156 161 GLY 157 162 ILE 158 163 VAL 159 164 ARG 160 165 GLU 161 166 ASN 162 167 ILE 163 168 ILE 164 169 ASP 165 170 LEU 166 171 THR 167 172 ASN 168 173 ALA 169 174 ASN 170 175 ARG 171 176 CYS 172 177 LEU 173 178 GLU 174 179 ALA 175 180 ARG 176 181 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L9C "Structural Insights Into The Specificity Of Darcin, An Atypical Major Urinary Protein" 100.00 176 100.00 100.00 2.58e-124 EMBL CAP58483 "novel member of the major urinary protein (Mup) gene family [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 EMBL CAQ11567 "novel member of the major urinary protein (Mup) gene family [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 GB AAH89613 "Predicted gene, OTTMUSG00000007485 [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 GB AAH92096 "Predicted gene, OTTMUSG00000007485 [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 GB ACF70718 "major urinary protein 24 [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 REF NP_001012323 "major urinary protein 20 precursor [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 REF XP_006538108 "PREDICTED: major urinary protein 20 isoform X1 [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 SP Q5FW60 "RecName: Full=Major urinary protein 20; AltName: Full=Darcin; AltName: Full=Major urinary protein 24; Flags: Precursor" 92.05 181 100.00 100.00 1.56e-112 TPG DAA06315 "TPA_inf: major urinary protein 24 [Mus musculus]" 92.05 181 100.00 100.00 1.56e-112 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $darcin 'House mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $darcin 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pET28b 'incoporates a N terminal His-tag' 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 $darcin 1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $darcin 1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1.3 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_DANGLE _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'Secondary structure calculation' stop_ _Details . save_ save_azara _Saveframe_category software _Name AZARA _Version any loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ save_Topspin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker biospin' . . stop_ loop_ _Task 'Data collection' 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryoprobe' 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(aromatic)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aromatic)' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 25 . mM pH 6.8 . pH pressure 1 . atm temperature 300 . 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 water H 1 protons ppm 4.7358 internal direct . . . 1.000 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_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HBHANH' '3D HNCO' '3D HN(CA)CO' '2D (HB)CB(CGCD)HD' '3D HCCH-TOCSY' 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 darcin _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 15 10 HIS HA H 4.634 0.003 1 2 15 10 HIS HB3 H 3.142 0.000 2 3 15 10 HIS HD2 H 7.152 0.003 1 4 15 10 HIS C C 174.406 0.006 1 5 15 10 HIS CA C 55.764 0.041 1 6 15 10 HIS CB C 29.596 0.034 1 7 15 10 HIS CD2 C 119.976 . 1 8 16 11 ILE H H 8.302 0.004 1 9 16 11 ILE HA H 4.105 0.005 1 10 16 11 ILE HB H 1.771 0.005 1 11 16 11 ILE HD1 H 0.802 0.004 1 12 16 11 ILE HG12 H 1.094 0.005 2 13 16 11 ILE HG13 H 1.394 0.002 2 14 16 11 ILE HG2 H 0.844 0.005 1 15 16 11 ILE C C 175.885 0.004 1 16 16 11 ILE CA C 60.925 0.010 1 17 16 11 ILE CB C 38.898 0.023 1 18 16 11 ILE CD1 C 12.897 0.025 1 19 16 11 ILE CG1 C 27.142 0.035 1 20 16 11 ILE CG2 C 17.451 0.023 1 21 16 11 ILE N N 123.700 0.013 1 22 17 12 GLU H H 8.577 0.001 1 23 17 12 GLU HA H 4.278 0.006 1 24 17 12 GLU HB2 H 1.946 0.005 2 25 17 12 GLU HB3 H 2.050 0.002 2 26 17 12 GLU HG3 H 2.283 0.011 2 27 17 12 GLU C C 176.925 0.007 1 28 17 12 GLU CA C 56.653 0.024 1 29 17 12 GLU CB C 30.241 0.026 1 30 17 12 GLU CG C 36.179 0.021 1 31 17 12 GLU N N 125.351 0.015 1 32 18 13 GLY H H 8.570 0.001 1 33 18 13 GLY HA2 H 3.994 0.002 2 34 18 13 GLY HA3 H 3.999 . 2 35 18 13 GLY C C 174.071 0.001 1 36 18 13 GLY CA C 45.535 0.061 1 37 18 13 GLY N N 110.779 0.013 1 38 19 14 ARG H H 8.233 0.004 1 39 19 14 ARG HA H 4.448 0.006 1 40 19 14 ARG HB2 H 1.816 0.002 2 41 19 14 ARG HB3 H 1.940 0.000 2 42 19 14 ARG HD2 H 3.251 0.011 2 43 19 14 ARG HD3 H 3.251 0.008 2 44 19 14 ARG HE H 7.217 0.001 1 45 19 14 ARG HG2 H 1.664 0.011 2 46 19 14 ARG HG3 H 1.663 0.011 2 47 19 14 ARG C C 176.156 0.008 1 48 19 14 ARG CA C 55.915 0.012 1 49 19 14 ARG CB C 31.117 0.040 1 50 19 14 ARG CD C 43.420 0.034 1 51 19 14 ARG CG C 27.030 0.070 1 52 19 14 ARG N N 120.667 0.015 1 53 19 14 ARG NE N 84.903 . 1 54 20 15 GLU H H 8.645 0.002 1 55 20 15 GLU HA H 4.391 0.006 1 56 20 15 GLU HB2 H 2.001 0.003 2 57 20 15 GLU HB3 H 2.091 0.003 2 58 20 15 GLU HG2 H 2.291 0.007 2 59 20 15 GLU HG3 H 2.291 0.007 2 60 20 15 GLU C C 175.510 0.037 1 61 20 15 GLU CA C 56.485 0.010 1 62 20 15 GLU CB C 31.148 0.030 1 63 20 15 GLU CG C 36.419 0.000 1 64 20 15 GLU N N 122.749 0.019 1 65 21 16 GLU H H 8.365 0.001 1 66 21 16 GLU HA H 4.672 0.014 1 67 21 16 GLU HB2 H 1.911 0.003 2 68 21 16 GLU HB3 H 1.912 0.003 2 69 21 16 GLU HG2 H 2.227 0.001 2 70 21 16 GLU HG3 H 2.159 0.002 2 71 21 16 GLU C C 175.402 0.004 1 72 21 16 GLU CA C 55.631 0.044 1 73 21 16 GLU CB C 31.741 0.052 1 74 21 16 GLU CG C 36.787 0.005 1 75 21 16 GLU N N 121.248 0.024 1 76 22 17 ALA H H 8.615 0.000 1 77 22 17 ALA HA H 4.886 0.002 1 78 22 17 ALA HB H 1.447 0.014 1 79 22 17 ALA C C 176.002 0.025 1 80 22 17 ALA CA C 51.608 0.010 1 81 22 17 ALA CB C 22.652 0.040 1 82 22 17 ALA N N 125.498 0.015 1 83 23 18 SER H H 8.102 0.003 1 84 23 18 SER HA H 4.874 0.017 1 85 23 18 SER CA C 51.947 0.047 1 86 23 18 SER N N 113.380 0.111 1 87 24 19 SER C C 174.532 . 1 88 25 20 MET H H 7.923 0.002 1 89 25 20 MET HA H 4.066 0.008 1 90 25 20 MET HB2 H 2.117 0.008 2 91 25 20 MET HB3 H 1.905 0.003 2 92 25 20 MET HE H 2.047 . 1 93 25 20 MET HG2 H 2.473 0.002 2 94 25 20 MET HG3 H 2.575 0.000 2 95 25 20 MET C C 176.225 0.025 1 96 25 20 MET CA C 56.764 0.025 1 97 25 20 MET CB C 32.167 0.052 1 98 25 20 MET CE C 16.875 . 1 99 25 20 MET CG C 32.309 0.034 1 100 25 20 MET N N 118.736 0.022 1 101 26 21 GLU H H 7.533 0.004 1 102 26 21 GLU HA H 4.385 0.009 1 103 26 21 GLU HB3 H 2.250 0.007 2 104 26 21 GLU HG3 H 2.366 0.002 2 105 26 21 GLU C C 177.807 0.021 1 106 26 21 GLU CA C 56.034 0.007 1 107 26 21 GLU CB C 31.296 0.013 1 108 26 21 GLU CG C 37.147 0.003 1 109 26 21 GLU N N 119.626 0.003 1 110 27 22 ARG H H 8.755 0.002 1 111 27 22 ARG HA H 4.145 0.008 1 112 27 22 ARG HB2 H 1.871 0.004 2 113 27 22 ARG HB3 H 1.872 0.004 2 114 27 22 ARG HD2 H 3.259 0.012 2 115 27 22 ARG HD3 H 3.225 0.008 2 116 27 22 ARG HE H 7.411 0.002 1 117 27 22 ARG HG2 H 1.681 0.013 2 118 27 22 ARG HG3 H 1.690 0.013 2 119 27 22 ARG C C 176.944 . 1 120 27 22 ARG CA C 57.988 0.052 1 121 27 22 ARG CB C 30.091 0.039 1 122 27 22 ARG CD C 43.229 0.021 1 123 27 22 ARG CG C 27.133 0.033 1 124 27 22 ARG CZ C 159.693 . 1 125 27 22 ARG N N 121.954 0.034 1 126 27 22 ARG NE N 84.858 0.002 1 127 28 23 ASN H H 8.368 0.002 1 128 28 23 ASN HA H 4.736 0.003 1 129 28 23 ASN HB2 H 2.955 0.001 2 130 28 23 ASN HB3 H 2.855 0.001 2 131 28 23 ASN HD21 H 7.690 0.002 2 132 28 23 ASN HD22 H 7.022 0.002 2 133 28 23 ASN C C 175.356 0.007 1 134 28 23 ASN CA C 52.796 0.030 1 135 28 23 ASN CB C 37.744 0.002 1 136 28 23 ASN CG C 177.672 0.001 1 137 28 23 ASN N N 114.350 0.030 1 138 28 23 ASN ND2 N 112.809 0.000 1 139 29 24 PHE H H 7.697 0.001 1 140 29 24 PHE HA H 4.255 0.008 1 141 29 24 PHE HB2 H 2.975 0.014 2 142 29 24 PHE HB3 H 3.646 0.004 2 143 29 24 PHE C C 174.893 0.018 1 144 29 24 PHE CA C 58.650 0.013 1 145 29 24 PHE CB C 39.710 0.026 1 146 29 24 PHE N N 121.805 0.011 1 147 30 25 ASN H H 7.762 0.006 1 148 30 25 ASN HA H 4.769 0.008 1 149 30 25 ASN HB2 H 2.520 0.004 2 150 30 25 ASN HB3 H 2.315 0.000 2 151 30 25 ASN HD21 H 7.359 0.001 2 152 30 25 ASN HD22 H 6.848 0.002 2 153 30 25 ASN C C 174.280 0.009 1 154 30 25 ASN CA C 50.704 0.031 1 155 30 25 ASN CB C 38.138 0.009 1 156 30 25 ASN CG C 176.916 0.016 1 157 30 25 ASN N N 127.233 0.067 1 158 30 25 ASN ND2 N 110.162 0.000 1 159 31 26 VAL H H 8.181 0.001 1 160 31 26 VAL HA H 3.351 0.005 1 161 31 26 VAL HB H 2.174 0.011 1 162 31 26 VAL HG1 H 1.022 0.003 2 163 31 26 VAL HG2 H 1.209 0.004 2 164 31 26 VAL C C 175.656 0.002 1 165 31 26 VAL CA C 64.392 0.020 1 166 31 26 VAL CB C 31.804 0.039 1 167 31 26 VAL CG1 C 19.419 0.029 2 168 31 26 VAL CG2 C 21.889 0.028 2 169 31 26 VAL N N 123.422 0.016 1 170 32 27 GLU H H 8.070 0.002 1 171 32 27 GLU HA H 3.832 0.007 1 172 32 27 GLU HB2 H 1.944 0.007 2 173 32 27 GLU HB3 H 1.927 0.002 2 174 32 27 GLU HG2 H 2.199 0.011 2 175 32 27 GLU HG3 H 2.268 0.019 2 176 32 27 GLU C C 179.465 0.011 1 177 32 27 GLU CA C 59.538 0.069 1 178 32 27 GLU CB C 28.678 0.056 1 179 32 27 GLU CG C 36.453 0.004 1 180 32 27 GLU N N 118.156 0.008 1 181 33 28 LYS H H 7.334 0.002 1 182 33 28 LYS HA H 4.046 0.006 1 183 33 28 LYS HB2 H 1.073 0.002 2 184 33 28 LYS HB3 H 1.348 0.012 2 185 33 28 LYS HD2 H 1.033 0.016 2 186 33 28 LYS HD3 H 1.128 0.001 2 187 33 28 LYS HE2 H 2.533 0.004 2 188 33 28 LYS HE3 H 2.587 0.002 2 189 33 28 LYS HG2 H 1.087 0.014 2 190 33 28 LYS HG3 H 1.025 0.006 2 191 33 28 LYS C C 178.311 0.004 1 192 33 28 LYS CA C 57.625 0.041 1 193 33 28 LYS CB C 31.948 0.047 1 194 33 28 LYS CD C 28.840 0.038 1 195 33 28 LYS CE C 41.409 0.021 1 196 33 28 LYS CG C 25.651 0.014 1 197 33 28 LYS N N 114.671 0.020 1 198 34 29 ILE H H 7.773 0.001 1 199 34 29 ILE HA H 4.999 0.011 1 200 34 29 ILE HB H 2.486 0.008 1 201 34 29 ILE HD1 H 0.839 0.006 1 202 34 29 ILE HG12 H 2.095 0.005 2 203 34 29 ILE HG13 H 2.104 0.006 2 204 34 29 ILE HG2 H 1.183 0.004 1 205 34 29 ILE C C 174.420 0.027 1 206 34 29 ILE CA C 61.908 0.019 1 207 34 29 ILE CB C 38.118 0.051 1 208 34 29 ILE CD1 C 14.801 0.020 1 209 34 29 ILE CG1 C 25.181 0.077 1 210 34 29 ILE CG2 C 18.513 0.027 1 211 34 29 ILE N N 110.671 0.010 1 212 35 30 ASN H H 7.191 0.002 1 213 35 30 ASN HA H 4.710 0.021 1 214 35 30 ASN HB3 H 2.807 0.002 2 215 35 30 ASN HD21 H 7.861 0.002 2 216 35 30 ASN HD22 H 7.177 0.003 2 217 35 30 ASN C C 177.036 0.015 1 218 35 30 ASN CA C 55.159 0.048 1 219 35 30 ASN CB C 41.585 0.002 1 220 35 30 ASN CG C 176.000 0.007 1 221 35 30 ASN N N 119.034 0.014 1 222 35 30 ASN ND2 N 116.133 0.001 1 223 36 31 GLY H H 9.707 0.005 1 224 36 31 GLY HA2 H 4.545 0.009 2 225 36 31 GLY HA3 H 3.831 0.008 2 226 36 31 GLY C C 171.883 0.005 1 227 36 31 GLY CA C 44.402 0.025 1 228 36 31 GLY N N 112.682 0.029 1 229 37 32 GLU H H 8.400 0.005 1 230 37 32 GLU HA H 4.663 0.006 1 231 37 32 GLU HB2 H 1.647 0.011 2 232 37 32 GLU HB3 H 1.884 0.005 2 233 37 32 GLU HG2 H 2.276 0.002 2 234 37 32 GLU HG3 H 2.227 0.007 2 235 37 32 GLU C C 176.483 0.017 1 236 37 32 GLU CA C 57.059 0.054 1 237 37 32 GLU CB C 30.997 0.050 1 238 37 32 GLU CG C 36.769 0.013 1 239 37 32 GLU N N 120.238 0.016 1 240 38 33 TRP H H 7.621 0.002 1 241 38 33 TRP HA H 4.887 0.020 1 242 38 33 TRP HB2 H 2.050 . 2 243 38 33 TRP HB3 H 2.921 . 2 244 38 33 TRP HD1 H 6.942 0.001 1 245 38 33 TRP HE1 H 10.284 . 1 246 38 33 TRP HH2 H 6.612 0.006 1 247 38 33 TRP HZ2 H 7.246 0.007 1 248 38 33 TRP C C 172.874 0.002 1 249 38 33 TRP CA C 55.518 0.060 1 250 38 33 TRP CB C 37.004 0.009 1 251 38 33 TRP CD1 C 127.186 0.002 1 252 38 33 TRP CH2 C 123.464 0.045 1 253 38 33 TRP CZ2 C 113.583 0.046 1 254 38 33 TRP N N 121.486 0.016 1 255 38 33 TRP NE1 N 128.732 . 1 256 39 34 TYR H H 9.425 0.002 1 257 39 34 TYR HA H 4.822 0.001 1 258 39 34 TYR HB2 H 2.784 0.005 2 259 39 34 TYR HB3 H 2.461 0.001 2 260 39 34 TYR HD1 H 6.683 0.003 3 261 39 34 TYR HD2 H 6.683 0.003 3 262 39 34 TYR HE1 H 6.580 0.004 3 263 39 34 TYR HE2 H 6.580 0.004 3 264 39 34 TYR C C 177.037 0.007 1 265 39 34 TYR CA C 56.603 0.043 1 266 39 34 TYR CB C 42.288 0.041 1 267 39 34 TYR CD1 C 133.263 0.001 3 268 39 34 TYR CD2 C 133.263 0.001 3 269 39 34 TYR CE1 C 117.478 0.055 3 270 39 34 TYR CE2 C 117.478 0.055 3 271 39 34 TYR N N 115.717 0.020 1 272 40 35 THR H H 10.269 0.002 1 273 40 35 THR HA H 4.387 0.009 1 274 40 35 THR HB H 4.439 0.003 1 275 40 35 THR HG2 H 1.505 0.002 1 276 40 35 THR C C 173.480 0.006 1 277 40 35 THR CA C 66.255 0.071 1 278 40 35 THR CB C 69.624 0.031 1 279 40 35 THR CG2 C 22.511 . 1 280 40 35 THR N N 122.483 0.018 1 281 41 36 ILE H H 9.342 0.006 1 282 41 36 ILE HA H 4.198 0.004 1 283 41 36 ILE HB H 1.769 0.006 1 284 41 36 ILE HD1 H 0.643 0.004 1 285 41 36 ILE HG12 H 1.220 0.013 2 286 41 36 ILE HG13 H 1.856 0.012 2 287 41 36 ILE HG2 H 0.927 0.007 1 288 41 36 ILE C C 175.168 0.013 1 289 41 36 ILE CA C 60.721 0.077 1 290 41 36 ILE CB C 37.873 0.054 1 291 41 36 ILE CD1 C 9.638 0.019 1 292 41 36 ILE CG1 C 26.883 0.063 1 293 41 36 ILE CG2 C 17.956 0.053 1 294 41 36 ILE N N 127.594 0.020 1 295 42 37 MET H H 7.671 0.002 1 296 42 37 MET HA H 5.524 0.010 1 297 42 37 MET HB2 H 2.098 0.003 2 298 42 37 MET HB3 H 1.347 0.008 2 299 42 37 MET HE H 2.147 . 1 300 42 37 MET HG2 H 2.493 0.004 2 301 42 37 MET HG3 H 2.444 0.008 2 302 42 37 MET C C 173.984 0.003 1 303 42 37 MET CA C 54.533 0.012 1 304 42 37 MET CB C 40.585 0.029 1 305 42 37 MET CE C 18.704 . 1 306 42 37 MET CG C 33.392 0.015 1 307 42 37 MET N N 112.299 0.014 1 308 43 38 LEU H H 8.367 0.002 1 309 43 38 LEU HA H 5.343 0.010 1 310 43 38 LEU HB2 H 1.467 0.024 2 311 43 38 LEU HB3 H 1.641 0.013 2 312 43 38 LEU HD1 H 1.065 0.003 2 313 43 38 LEU HD2 H 1.314 0.006 2 314 43 38 LEU HG H 1.584 0.007 1 315 43 38 LEU C C 174.390 0.010 1 316 43 38 LEU CA C 53.575 0.061 1 317 43 38 LEU CB C 48.526 0.041 1 318 43 38 LEU CD1 C 26.031 0.028 2 319 43 38 LEU CD2 C 23.642 0.045 2 320 43 38 LEU CG C 27.191 0.052 1 321 43 38 LEU N N 118.363 0.007 1 322 44 39 ALA H H 8.972 0.002 1 323 44 39 ALA HA H 5.630 0.005 1 324 44 39 ALA HB H 1.377 0.004 1 325 44 39 ALA C C 175.491 0.004 1 326 44 39 ALA CA C 50.869 0.006 1 327 44 39 ALA CB C 24.982 0.013 1 328 44 39 ALA N N 121.649 0.010 1 329 45 40 THR H H 7.511 0.002 1 330 45 40 THR HA H 5.188 0.007 1 331 45 40 THR HB H 4.429 0.004 1 332 45 40 THR HG2 H 0.906 0.012 1 333 45 40 THR C C 170.558 0.002 1 334 45 40 THR CA C 59.632 0.033 1 335 45 40 THR CB C 69.147 0.060 1 336 45 40 THR CG2 C 19.798 0.037 1 337 45 40 THR N N 114.880 0.007 1 338 46 41 ASP H H 8.693 0.002 1 339 46 41 ASP HA H 4.835 0.005 1 340 46 41 ASP HB2 H 2.628 0.005 2 341 46 41 ASP HB3 H 3.182 0.011 2 342 46 41 ASP C C 176.239 . 1 343 46 41 ASP CA C 54.088 0.025 1 344 46 41 ASP CB C 40.004 0.053 1 345 46 41 ASP N N 122.632 0.016 1 346 47 42 LYS H H 8.525 0.002 1 347 47 42 LYS HA H 4.554 0.004 1 348 47 42 LYS HB2 H 1.204 0.003 2 349 47 42 LYS HB3 H 1.349 0.017 2 350 47 42 LYS HD2 H 1.298 0.000 2 351 47 42 LYS HD3 H 1.278 0.007 2 352 47 42 LYS HE2 H 2.862 0.007 2 353 47 42 LYS HE3 H 2.864 0.019 2 354 47 42 LYS HG2 H 1.231 0.008 2 355 47 42 LYS HG3 H 0.953 0.007 2 356 47 42 LYS C C 174.724 0.011 1 357 47 42 LYS CA C 55.014 0.039 1 358 47 42 LYS CB C 32.008 0.036 1 359 47 42 LYS CD C 29.401 0.028 1 360 47 42 LYS CE C 42.137 0.032 1 361 47 42 LYS CG C 25.701 0.061 1 362 47 42 LYS N N 127.036 0.019 1 363 48 43 ARG H H 8.162 0.002 1 364 48 43 ARG HA H 3.334 0.006 1 365 48 43 ARG HB2 H 1.627 0.007 2 366 48 43 ARG HB3 H 1.634 0.008 2 367 48 43 ARG HD2 H 3.104 0.015 2 368 48 43 ARG HD3 H 3.200 0.001 2 369 48 43 ARG HE H 7.431 0.004 1 370 48 43 ARG HG2 H 1.816 0.003 2 371 48 43 ARG HG3 H 1.130 0.006 2 372 48 43 ARG C C 176.845 0.002 1 373 48 43 ARG CA C 60.545 0.015 1 374 48 43 ARG CB C 30.830 0.059 1 375 48 43 ARG CD C 42.769 0.065 1 376 48 43 ARG CG C 28.887 0.052 1 377 48 43 ARG CZ C 159.632 . 1 378 48 43 ARG N N 123.694 0.010 1 379 48 43 ARG NE N 84.929 0.041 1 380 49 44 GLU H H 9.272 0.001 1 381 49 44 GLU HA H 4.052 0.005 1 382 49 44 GLU HB2 H 1.987 0.006 2 383 49 44 GLU HB3 H 1.941 0.005 2 384 49 44 GLU HG2 H 2.087 0.018 2 385 49 44 GLU HG3 H 2.021 0.015 2 386 49 44 GLU C C 178.500 0.006 1 387 49 44 GLU CA C 58.852 0.079 1 388 49 44 GLU CB C 28.315 0.030 1 389 49 44 GLU CG C 35.582 0.028 1 390 49 44 GLU N N 114.912 0.002 1 391 50 45 LYS H H 7.998 0.002 1 392 50 45 LYS HA H 3.958 0.008 1 393 50 45 LYS HB2 H 1.652 0.012 2 394 50 45 LYS HB3 H 1.298 0.010 2 395 50 45 LYS HD2 H 1.286 0.008 2 396 50 45 LYS HD3 H 1.548 0.005 2 397 50 45 LYS HE2 H 2.644 0.016 2 398 50 45 LYS HE3 H 2.734 0.002 2 399 50 45 LYS HG2 H 0.827 0.010 2 400 50 45 LYS HG3 H 0.241 0.013 2 401 50 45 LYS C C 177.113 0.004 1 402 50 45 LYS CA C 56.583 0.083 1 403 50 45 LYS CB C 30.744 0.043 1 404 50 45 LYS CD C 26.901 0.020 1 405 50 45 LYS CE C 41.472 0.035 1 406 50 45 LYS CG C 23.496 0.048 1 407 50 45 LYS N N 116.053 0.009 1 408 51 46 ILE H H 7.525 0.001 1 409 51 46 ILE HA H 4.422 0.008 1 410 51 46 ILE HB H 2.050 0.006 1 411 51 46 ILE HD1 H 0.688 0.011 1 412 51 46 ILE HG12 H 1.237 0.007 2 413 51 46 ILE HG13 H 1.055 0.007 2 414 51 46 ILE HG2 H 0.555 0.003 1 415 51 46 ILE C C 175.445 0.001 1 416 51 46 ILE CA C 60.696 0.042 1 417 51 46 ILE CB C 38.280 0.033 1 418 51 46 ILE CD1 C 15.446 0.071 1 419 51 46 ILE CG1 C 25.379 0.021 1 420 51 46 ILE CG2 C 18.307 0.071 1 421 51 46 ILE N N 106.049 0.017 1 422 52 47 GLU H H 6.559 0.000 1 423 52 47 GLU HA H 4.075 0.008 1 424 52 47 GLU HB2 H 1.827 0.018 2 425 52 47 GLU HB3 H 2.178 0.009 2 426 52 47 GLU HG2 H 2.554 0.006 2 427 52 47 GLU HG3 H 2.117 0.007 2 428 52 47 GLU C C 175.735 0.002 1 429 52 47 GLU CA C 56.257 0.019 1 430 52 47 GLU CB C 30.859 0.051 1 431 52 47 GLU CG C 37.049 0.032 1 432 52 47 GLU N N 121.206 0.008 1 433 53 48 GLU H H 8.868 0.001 1 434 53 48 GLU HA H 3.685 0.005 1 435 53 48 GLU HB2 H 1.598 0.009 2 436 53 48 GLU HB3 H 1.820 0.005 2 437 53 48 GLU HG2 H 1.975 0.002 2 438 53 48 GLU HG3 H 1.986 0.005 2 439 53 48 GLU C C 178.003 0.002 1 440 53 48 GLU CA C 60.287 0.008 1 441 53 48 GLU CB C 29.312 0.057 1 442 53 48 GLU CG C 36.513 0.018 1 443 53 48 GLU N N 119.042 0.016 1 444 54 49 HIS H H 8.465 0.001 1 445 54 49 HIS HA H 4.619 0.006 1 446 54 49 HIS HB2 H 3.469 0.002 2 447 54 49 HIS HB3 H 3.550 0.002 2 448 54 49 HIS HD2 H 7.246 0.001 1 449 54 49 HIS HE1 H 8.532 . 1 450 54 49 HIS C C 174.837 0.008 1 451 54 49 HIS CA C 57.181 0.069 1 452 54 49 HIS CB C 27.394 0.030 1 453 54 49 HIS CD2 C 119.846 . 1 454 54 49 HIS CE1 C 136.538 . 1 455 54 49 HIS N N 116.343 0.009 1 456 55 50 GLY H H 8.848 0.001 1 457 55 50 GLY HA2 H 3.670 0.003 2 458 55 50 GLY HA3 H 4.108 0.014 2 459 55 50 GLY C C 176.828 0.002 1 460 55 50 GLY CA C 45.256 0.060 1 461 55 50 GLY N N 110.765 0.020 1 462 56 51 SER H H 8.925 0.001 1 463 56 51 SER HA H 3.944 0.007 1 464 56 51 SER HB2 H 3.601 0.023 2 465 56 51 SER HB3 H 3.671 0.026 2 466 56 51 SER C C 174.878 0.059 1 467 56 51 SER CA C 60.431 0.039 1 468 56 51 SER CB C 62.343 0.044 1 469 56 51 SER N N 119.938 0.004 1 470 57 52 MET H H 7.931 0.001 1 471 57 52 MET HA H 4.736 0.016 1 472 57 52 MET HB2 H 1.661 0.005 2 473 57 52 MET HB3 H 2.207 0.002 2 474 57 52 MET HE H 2.130 . 1 475 57 52 MET HG2 H 2.743 0.012 2 476 57 52 MET HG3 H 2.816 0.000 2 477 57 52 MET C C 174.838 0.000 1 478 57 52 MET CA C 53.202 0.038 1 479 57 52 MET CB C 31.072 0.036 1 480 57 52 MET CE C 19.197 . 1 481 57 52 MET CG C 33.473 0.067 1 482 57 52 MET N N 114.768 0.014 1 483 58 53 ARG H H 7.085 0.002 1 484 58 53 ARG HA H 3.912 0.005 1 485 58 53 ARG HB2 H 1.037 0.005 2 486 58 53 ARG HB3 H 1.835 0.016 2 487 58 53 ARG HD2 H 3.219 0.009 2 488 58 53 ARG HD3 H 2.844 0.022 2 489 58 53 ARG HE H 7.498 0.001 1 490 58 53 ARG HG2 H 1.198 0.009 2 491 58 53 ARG HG3 H 1.347 0.004 2 492 58 53 ARG C C 172.171 0.004 1 493 58 53 ARG CA C 54.075 0.033 1 494 58 53 ARG CB C 27.749 0.066 1 495 58 53 ARG CD C 43.753 0.057 1 496 58 53 ARG CG C 30.086 0.004 1 497 58 53 ARG CZ C 159.898 . 1 498 58 53 ARG N N 124.588 0.013 1 499 58 53 ARG NE N 85.063 0.010 1 500 59 54 VAL H H 6.746 0.001 1 501 59 54 VAL HA H 4.300 0.011 1 502 59 54 VAL HB H 1.294 0.014 1 503 59 54 VAL HG1 H -0.071 0.004 2 504 59 54 VAL HG2 H 0.282 0.002 2 505 59 54 VAL C C 175.608 0.011 1 506 59 54 VAL CA C 57.377 0.014 1 507 59 54 VAL CB C 33.810 0.038 1 508 59 54 VAL CG1 C 16.991 0.081 2 509 59 54 VAL CG2 C 22.053 0.052 2 510 59 54 VAL N N 111.224 0.012 1 511 60 55 PHE H H 8.850 0.002 1 512 60 55 PHE HA H 5.174 0.008 1 513 60 55 PHE HB2 H 2.845 0.006 2 514 60 55 PHE HB3 H 3.654 0.004 2 515 60 55 PHE HD1 H 7.234 0.014 3 516 60 55 PHE HD2 H 7.234 0.014 3 517 60 55 PHE HE1 H 6.864 0.005 3 518 60 55 PHE HE2 H 6.864 0.005 3 519 60 55 PHE HZ H 6.769 0.013 1 520 60 55 PHE C C 176.886 0.003 1 521 60 55 PHE CA C 54.210 0.014 1 522 60 55 PHE CB C 39.872 0.032 1 523 60 55 PHE CD1 C 132.304 . 3 524 60 55 PHE CD2 C 132.304 . 3 525 60 55 PHE CE1 C 130.975 0.038 3 526 60 55 PHE CE2 C 130.975 0.038 3 527 60 55 PHE CZ C 129.737 0.068 1 528 60 55 PHE N N 122.213 0.015 1 529 61 56 VAL H H 8.780 0.001 1 530 61 56 VAL HA H 3.574 0.005 1 531 61 56 VAL HB H 1.119 0.008 1 532 61 56 VAL HG1 H -0.345 0.004 2 533 61 56 VAL HG2 H -0.077 0.003 2 534 61 56 VAL C C 172.133 0.002 1 535 61 56 VAL CA C 62.166 0.025 1 536 61 56 VAL CB C 32.218 0.050 1 537 61 56 VAL CG1 C 17.472 0.051 2 538 61 56 VAL CG2 C 20.866 0.007 2 539 61 56 VAL N N 129.936 0.005 1 540 62 57 GLU H H 8.620 0.002 1 541 62 57 GLU HA H 4.529 0.006 1 542 62 57 GLU HB2 H 0.958 0.006 2 543 62 57 GLU HB3 H 2.067 0.000 2 544 62 57 GLU HG2 H 2.098 0.000 2 545 62 57 GLU HG3 H 2.037 0.008 2 546 62 57 GLU C C 175.366 0.003 1 547 62 57 GLU CA C 57.275 0.048 1 548 62 57 GLU CB C 31.296 0.042 1 549 62 57 GLU CG C 36.580 0.004 1 550 62 57 GLU N N 123.754 0.023 1 551 63 58 TYR H H 6.542 0.002 1 552 63 58 TYR HA H 5.292 0.006 1 553 63 58 TYR HB2 H 2.546 0.004 2 554 63 58 TYR HB3 H 2.813 0.011 2 555 63 58 TYR HD1 H 6.507 0.005 3 556 63 58 TYR HD2 H 6.507 0.005 3 557 63 58 TYR HE1 H 6.335 0.004 3 558 63 58 TYR HE2 H 6.335 0.004 3 559 63 58 TYR C C 173.532 0.007 1 560 63 58 TYR CA C 54.938 0.012 1 561 63 58 TYR CB C 40.871 0.080 1 562 63 58 TYR CD1 C 133.372 0.007 3 563 63 58 TYR CD2 C 133.372 0.007 3 564 63 58 TYR CE1 C 117.795 0.017 3 565 63 58 TYR CE2 C 117.795 0.017 3 566 63 58 TYR N N 108.939 0.013 1 567 64 59 ILE H H 8.707 0.002 1 568 64 59 ILE HA H 4.415 0.010 1 569 64 59 ILE HB H 2.003 0.007 1 570 64 59 ILE HD1 H 0.328 0.005 1 571 64 59 ILE HG12 H 1.460 0.012 2 572 64 59 ILE HG13 H 0.709 0.009 2 573 64 59 ILE HG2 H 0.659 0.004 1 574 64 59 ILE C C 175.335 0.013 1 575 64 59 ILE CA C 61.478 0.028 1 576 64 59 ILE CB C 40.934 0.037 1 577 64 59 ILE CD1 C 11.807 0.016 1 578 64 59 ILE CG1 C 26.474 0.030 1 579 64 59 ILE CG2 C 17.605 0.051 1 580 64 59 ILE N N 116.352 0.019 1 581 65 60 HIS H H 10.105 0.002 1 582 65 60 HIS HA H 5.827 0.006 1 583 65 60 HIS HB2 H 3.164 0.013 2 584 65 60 HIS HB3 H 3.230 0.019 2 585 65 60 HIS HD2 H 6.842 0.002 1 586 65 60 HIS HE1 H 7.694 . 1 587 65 60 HIS C C 174.250 0.010 1 588 65 60 HIS CA C 51.175 0.008 1 589 65 60 HIS CB C 30.277 0.021 1 590 65 60 HIS CD2 C 116.105 . 1 591 65 60 HIS CE1 C 136.236 . 1 592 65 60 HIS N N 127.007 0.011 1 593 66 61 VAL H H 8.886 0.002 1 594 66 61 VAL HA H 3.977 0.013 1 595 66 61 VAL HB H 2.033 0.012 1 596 66 61 VAL HG1 H 0.989 0.004 2 597 66 61 VAL HG2 H 0.966 0.001 2 598 66 61 VAL C C 175.226 0.013 1 599 66 61 VAL CA C 64.279 0.025 1 600 66 61 VAL CB C 31.815 0.102 1 601 66 61 VAL CG1 C 21.371 0.055 2 602 66 61 VAL CG2 C 22.177 0.040 2 603 66 61 VAL N N 126.281 0.010 1 604 67 62 LEU H H 8.210 0.002 1 605 67 62 LEU HA H 4.765 0.002 1 606 67 62 LEU HB2 H 1.636 0.009 2 607 67 62 LEU HB3 H 1.759 0.010 2 608 67 62 LEU HD1 H 0.831 0.009 2 609 67 62 LEU HD2 H 0.900 0.009 2 610 67 62 LEU HG H 1.601 0.001 1 611 67 62 LEU C C 176.322 0.015 1 612 67 62 LEU CA C 53.511 0.011 1 613 67 62 LEU CB C 42.547 0.005 1 614 67 62 LEU CD1 C 23.177 0.041 2 615 67 62 LEU CD2 C 25.329 0.067 2 616 67 62 LEU CG C 27.493 . 1 617 67 62 LEU N N 131.234 0.012 1 618 68 63 GLU H H 8.383 0.002 1 619 68 63 GLU HA H 4.012 0.007 1 620 68 63 GLU HB2 H 1.945 0.009 2 621 68 63 GLU HB3 H 2.051 0.008 2 622 68 63 GLU HG2 H 2.259 0.007 2 623 68 63 GLU HG3 H 2.263 0.009 2 624 68 63 GLU C C 177.428 0.011 1 625 68 63 GLU CA C 59.668 0.071 1 626 68 63 GLU CB C 29.081 0.032 1 627 68 63 GLU CG C 35.922 0.103 1 628 68 63 GLU N N 120.116 0.013 1 629 69 64 ASN H H 8.866 0.002 1 630 69 64 ASN HA H 4.914 0.006 1 631 69 64 ASN HB2 H 2.785 0.007 2 632 69 64 ASN HB3 H 3.086 0.004 2 633 69 64 ASN HD21 H 7.710 0.003 2 634 69 64 ASN HD22 H 6.983 0.003 2 635 69 64 ASN C C 174.021 0.004 1 636 69 64 ASN CA C 53.459 0.021 1 637 69 64 ASN CB C 40.047 0.029 1 638 69 64 ASN CG C 177.834 0.013 1 639 69 64 ASN N N 117.354 0.018 1 640 69 64 ASN ND2 N 114.475 0.001 1 641 70 65 SER H H 7.509 0.002 1 642 70 65 SER HA H 5.440 0.007 1 643 70 65 SER HB2 H 3.729 0.005 2 644 70 65 SER HB3 H 4.154 0.010 2 645 70 65 SER C C 172.651 0.019 1 646 70 65 SER CA C 57.721 0.009 1 647 70 65 SER CB C 66.547 0.078 1 648 70 65 SER N N 111.612 0.012 1 649 71 66 LEU H H 9.164 0.002 1 650 71 66 LEU HA H 5.063 0.009 1 651 71 66 LEU HB2 H 1.056 0.008 2 652 71 66 LEU HB3 H 1.529 0.007 2 653 71 66 LEU HD1 H 0.762 0.004 2 654 71 66 LEU HD2 H 0.076 0.009 2 655 71 66 LEU HG H 1.209 0.003 1 656 71 66 LEU C C 174.773 0.003 1 657 71 66 LEU CA C 53.405 0.024 1 658 71 66 LEU CB C 45.379 0.045 1 659 71 66 LEU CD1 C 24.314 0.044 2 660 71 66 LEU CD2 C 24.006 0.035 2 661 71 66 LEU CG C 26.694 0.047 1 662 71 66 LEU N N 119.092 0.003 1 663 72 67 ALA H H 9.542 0.002 1 664 72 67 ALA HA H 5.167 0.004 1 665 72 67 ALA HB H 1.635 0.004 1 666 72 67 ALA C C 176.099 0.003 1 667 72 67 ALA CA C 51.222 0.002 1 668 72 67 ALA CB C 20.044 0.002 1 669 72 67 ALA N N 126.552 0.010 1 670 73 68 LEU H H 9.158 0.002 1 671 73 68 LEU HA H 4.836 0.007 1 672 73 68 LEU HB2 H 1.081 0.006 2 673 73 68 LEU HB3 H 1.445 0.008 2 674 73 68 LEU HD1 H 0.620 0.001 2 675 73 68 LEU HD2 H 0.724 0.005 2 676 73 68 LEU HG H 1.509 0.007 1 677 73 68 LEU C C 174.804 0.004 1 678 73 68 LEU CA C 53.980 0.025 1 679 73 68 LEU CB C 45.698 0.066 1 680 73 68 LEU CD1 C 25.935 0.059 2 681 73 68 LEU CD2 C 26.156 0.056 2 682 73 68 LEU CG C 27.673 0.045 1 683 73 68 LEU N N 122.954 0.021 1 684 74 69 LYS H H 6.723 0.002 1 685 74 69 LYS HA H 4.662 0.002 1 686 74 69 LYS HB2 H 0.785 0.018 2 687 74 69 LYS HB3 H -0.131 0.010 2 688 74 69 LYS HD2 H 0.988 0.011 2 689 74 69 LYS HD3 H 1.401 0.011 2 690 74 69 LYS HE2 H 2.437 0.009 2 691 74 69 LYS HE3 H 1.966 0.010 2 692 74 69 LYS HG2 H 0.123 0.015 2 693 74 69 LYS HG3 H 0.160 . 2 694 74 69 LYS C C 173.720 0.054 1 695 74 69 LYS CA C 54.072 0.033 1 696 74 69 LYS CB C 33.983 0.052 1 697 74 69 LYS CD C 29.927 0.070 1 698 74 69 LYS CE C 42.589 0.051 1 699 74 69 LYS CG C 25.553 0.040 1 700 74 69 LYS N N 121.650 0.010 1 701 75 70 PHE H H 8.695 0.001 1 702 75 70 PHE HA H 4.961 0.014 1 703 75 70 PHE HB2 H 2.150 0.004 2 704 75 70 PHE HB3 H 2.614 0.005 2 705 75 70 PHE HD1 H 6.399 0.003 3 706 75 70 PHE HD2 H 6.399 0.003 3 707 75 70 PHE HE1 H 6.897 0.001 3 708 75 70 PHE HE2 H 6.897 0.001 3 709 75 70 PHE HZ H 6.706 0.005 1 710 75 70 PHE C C 174.265 0.007 1 711 75 70 PHE CA C 54.912 0.026 1 712 75 70 PHE CB C 44.464 0.057 1 713 75 70 PHE CD1 C 131.025 0.024 3 714 75 70 PHE CD2 C 131.025 0.024 3 715 75 70 PHE CE1 C 131.024 0.011 3 716 75 70 PHE CE2 C 131.024 0.011 3 717 75 70 PHE CZ C 128.199 0.030 1 718 75 70 PHE N N 123.440 0.025 1 719 76 71 HIS H H 8.863 0.002 1 720 76 71 HIS HA H 5.520 0.007 1 721 76 71 HIS HB2 H 2.833 0.004 2 722 76 71 HIS HB3 H 3.213 0.006 2 723 76 71 HIS HD2 H 6.515 0.000 1 724 76 71 HIS HE1 H 7.754 . 1 725 76 71 HIS C C 173.744 0.009 1 726 76 71 HIS CA C 57.607 0.014 1 727 76 71 HIS CB C 35.691 0.050 1 728 76 71 HIS CD2 C 114.876 . 1 729 76 71 HIS CE1 C 137.713 . 1 730 76 71 HIS N N 115.731 0.032 1 731 77 72 ILE H H 9.057 0.001 1 732 77 72 ILE HA H 4.521 0.004 1 733 77 72 ILE HB H 1.504 0.004 1 734 77 72 ILE HD1 H 0.672 0.003 1 735 77 72 ILE HG12 H 1.624 0.005 2 736 77 72 ILE HG13 H 0.966 0.009 2 737 77 72 ILE HG2 H 0.710 0.003 1 738 77 72 ILE C C 172.752 0.007 1 739 77 72 ILE CA C 59.762 0.037 1 740 77 72 ILE CB C 42.617 0.032 1 741 77 72 ILE CD1 C 13.587 0.026 1 742 77 72 ILE CG1 C 28.897 0.003 1 743 77 72 ILE CG2 C 14.908 0.018 1 744 77 72 ILE N N 120.035 0.014 1 745 78 73 ILE H H 8.819 0.002 1 746 78 73 ILE HA H 4.713 0.016 1 747 78 73 ILE HB H 1.812 0.012 1 748 78 73 ILE HD1 H 0.847 0.005 1 749 78 73 ILE HG12 H 0.798 0.003 2 750 78 73 ILE HG13 H 1.818 0.012 2 751 78 73 ILE HG2 H 0.647 0.003 1 752 78 73 ILE C C 176.365 0.020 1 753 78 73 ILE CA C 61.787 0.076 1 754 78 73 ILE CB C 36.953 0.053 1 755 78 73 ILE CD1 C 13.404 0.010 1 756 78 73 ILE CG1 C 29.335 0.032 1 757 78 73 ILE CG2 C 17.238 0.077 1 758 78 73 ILE N N 127.129 0.017 1 759 79 74 ILE H H 8.778 0.005 1 760 79 74 ILE HA H 4.218 0.004 1 761 79 74 ILE HB H 1.684 0.005 1 762 79 74 ILE HD1 H 0.804 0.009 1 763 79 74 ILE HG12 H 1.500 0.008 2 764 79 74 ILE HG13 H 0.967 0.003 2 765 79 74 ILE HG2 H 0.867 0.018 1 766 79 74 ILE C C 176.516 0.038 1 767 79 74 ILE CA C 60.535 0.051 1 768 79 74 ILE CB C 40.505 0.075 1 769 79 74 ILE CD1 C 13.113 0.043 1 770 79 74 ILE CG1 C 27.539 0.067 1 771 79 74 ILE CG2 C 16.994 0.046 1 772 79 74 ILE N N 129.944 0.019 1 773 80 75 ASN H H 9.530 0.003 1 774 80 75 ASN HA H 4.386 0.006 1 775 80 75 ASN HB2 H 2.818 0.007 2 776 80 75 ASN HB3 H 3.021 0.012 2 777 80 75 ASN HD21 H 7.704 0.002 2 778 80 75 ASN HD22 H 6.857 0.002 2 779 80 75 ASN C C 174.382 0.008 1 780 80 75 ASN CA C 54.635 0.037 1 781 80 75 ASN CB C 37.001 0.049 1 782 80 75 ASN CG C 178.110 0.014 1 783 80 75 ASN N N 127.743 0.008 1 784 80 75 ASN ND2 N 113.353 0.000 1 785 81 76 GLU H H 8.413 0.001 1 786 81 76 GLU HA H 3.649 0.007 1 787 81 76 GLU HB2 H 2.261 0.009 2 788 81 76 GLU HB3 H 2.256 . 2 789 81 76 GLU HG2 H 2.117 0.001 2 790 81 76 GLU HG3 H 2.219 0.005 2 791 81 76 GLU C C 174.987 0.012 1 792 81 76 GLU CA C 57.964 0.013 1 793 81 76 GLU CB C 27.790 0.027 1 794 81 76 GLU CG C 36.734 0.004 1 795 81 76 GLU N N 107.499 0.012 1 796 82 77 GLU H H 7.852 0.002 1 797 82 77 GLU HA H 4.750 0.006 1 798 82 77 GLU HB2 H 1.924 0.004 2 799 82 77 GLU HB3 H 2.031 0.022 2 800 82 77 GLU HG2 H 2.210 0.003 2 801 82 77 GLU HG3 H 2.322 0.004 2 802 82 77 GLU C C 175.721 0.007 1 803 82 77 GLU CA C 54.682 0.052 1 804 82 77 GLU CB C 32.780 0.037 1 805 82 77 GLU CG C 36.223 0.008 1 806 82 77 GLU N N 119.739 0.007 1 807 83 78 CYS H H 8.956 0.002 1 808 83 78 CYS HA H 4.762 0.009 1 809 83 78 CYS HB2 H 2.463 0.000 2 810 83 78 CYS HB3 H 3.116 0.001 2 811 83 78 CYS C C 174.691 0.014 1 812 83 78 CYS CA C 58.843 0.036 1 813 83 78 CYS CB C 44.844 0.064 1 814 83 78 CYS N N 122.488 0.019 1 815 84 79 SER H H 9.703 0.003 1 816 84 79 SER HA H 4.845 0.005 1 817 84 79 SER HB2 H 3.735 0.005 2 818 84 79 SER HB3 H 3.862 0.008 2 819 84 79 SER C C 173.325 0.001 1 820 84 79 SER CA C 57.615 0.088 1 821 84 79 SER CB C 65.003 0.010 1 822 84 79 SER N N 122.394 0.010 1 823 85 80 GLU H H 8.546 0.001 1 824 85 80 GLU HA H 4.522 0.008 1 825 85 80 GLU HB2 H 1.464 0.009 2 826 85 80 GLU HB3 H 1.852 0.001 2 827 85 80 GLU HG2 H 1.939 0.005 2 828 85 80 GLU HG3 H 2.291 0.018 2 829 85 80 GLU C C 176.454 0.003 1 830 85 80 GLU CA C 56.441 0.075 1 831 85 80 GLU CB C 31.981 0.052 1 832 85 80 GLU CG C 36.573 0.067 1 833 85 80 GLU N N 122.564 0.012 1 834 86 81 ILE H H 8.709 0.004 1 835 86 81 ILE HA H 4.192 0.006 1 836 86 81 ILE HB H 1.255 0.003 1 837 86 81 ILE HD1 H 0.493 0.003 1 838 86 81 ILE HG12 H 0.839 0.009 2 839 86 81 ILE HG13 H 1.219 0.008 2 840 86 81 ILE HG2 H 0.594 0.007 1 841 86 81 ILE C C 173.460 0.006 1 842 86 81 ILE CA C 60.837 0.045 1 843 86 81 ILE CB C 42.079 0.022 1 844 86 81 ILE CD1 C 13.757 0.026 1 845 86 81 ILE CG1 C 26.752 0.049 1 846 86 81 ILE CG2 C 17.072 0.022 1 847 86 81 ILE N N 122.703 0.027 1 848 87 82 PHE H H 8.574 0.001 1 849 87 82 PHE HA H 5.117 0.005 1 850 87 82 PHE HB2 H 2.849 0.016 2 851 87 82 PHE HB3 H 3.091 0.016 2 852 87 82 PHE HD1 H 7.219 0.004 3 853 87 82 PHE HD2 H 7.219 0.004 3 854 87 82 PHE HE1 H 7.333 0.003 3 855 87 82 PHE HE2 H 7.333 0.003 3 856 87 82 PHE HZ H 7.190 0.003 1 857 87 82 PHE C C 175.461 . 1 858 87 82 PHE CA C 57.106 0.104 1 859 87 82 PHE CB C 40.538 0.071 1 860 87 82 PHE CD1 C 131.896 0.013 3 861 87 82 PHE CD2 C 131.896 0.013 3 862 87 82 PHE CE1 C 131.136 . 3 863 87 82 PHE CE2 C 131.136 . 3 864 87 82 PHE CZ C 129.128 0.063 1 865 87 82 PHE N N 125.008 0.024 1 866 88 83 LEU H H 8.685 0.002 1 867 88 83 LEU HA H 4.956 0.008 1 868 88 83 LEU HB2 H 1.405 0.008 2 869 88 83 LEU HB3 H 1.475 0.016 2 870 88 83 LEU HD1 H 1.005 0.003 2 871 88 83 LEU HD2 H 0.352 0.004 2 872 88 83 LEU HG H 1.349 0.005 1 873 88 83 LEU C C 175.466 0.002 1 874 88 83 LEU CA C 53.098 0.016 1 875 88 83 LEU CB C 47.535 0.029 1 876 88 83 LEU CD1 C 22.925 0.031 2 877 88 83 LEU CD2 C 24.466 0.013 2 878 88 83 LEU CG C 26.848 0.082 1 879 88 83 LEU N N 122.852 0.003 1 880 89 84 VAL H H 8.604 0.002 1 881 89 84 VAL HA H 4.828 0.007 1 882 89 84 VAL HB H 2.004 0.004 1 883 89 84 VAL HG1 H 0.907 0.010 2 884 89 84 VAL HG2 H 0.972 0.022 2 885 89 84 VAL C C 174.459 0.003 1 886 89 84 VAL CA C 61.821 0.018 1 887 89 84 VAL CB C 33.697 0.064 1 888 89 84 VAL CG1 C 21.449 0.035 2 889 89 84 VAL CG2 C 21.380 0.066 2 890 89 84 VAL N N 121.613 0.008 1 891 90 85 ALA H H 9.558 0.002 1 892 90 85 ALA HA H 5.387 0.006 1 893 90 85 ALA HB H 1.276 0.003 1 894 90 85 ALA C C 176.247 0.015 1 895 90 85 ALA CA C 49.363 0.031 1 896 90 85 ALA CB C 22.188 0.019 1 897 90 85 ALA N N 130.560 0.014 1 898 91 86 ASP H H 8.759 0.002 1 899 91 86 ASP HA H 5.203 0.006 1 900 91 86 ASP HB2 H 2.490 0.012 2 901 91 86 ASP HB3 H 2.763 0.008 2 902 91 86 ASP C C 176.161 0.034 1 903 91 86 ASP CA C 53.882 0.017 1 904 91 86 ASP CB C 44.106 0.032 1 905 91 86 ASP N N 123.057 0.009 1 906 92 87 LYS H H 8.245 0.001 1 907 92 87 LYS HA H 3.924 0.008 1 908 92 87 LYS HB2 H 1.552 0.008 2 909 92 87 LYS HB3 H 1.860 0.003 2 910 92 87 LYS HD2 H 1.580 0.014 2 911 92 87 LYS HD3 H 1.498 0.012 2 912 92 87 LYS HE2 H 2.962 . 2 913 92 87 LYS HE3 H 2.980 0.007 2 914 92 87 LYS HG2 H 1.350 0.018 2 915 92 87 LYS HG3 H 1.267 0.003 2 916 92 87 LYS C C 178.042 0.005 1 917 92 87 LYS CA C 57.436 0.040 1 918 92 87 LYS CB C 33.003 0.060 1 919 92 87 LYS CD C 29.006 0.091 1 920 92 87 LYS CE C 42.129 0.052 1 921 92 87 LYS CG C 25.009 0.004 1 922 92 87 LYS N N 121.579 0.009 1 923 93 88 THR H H 7.818 0.001 1 924 93 88 THR HA H 4.693 0.017 1 925 93 88 THR HB H 4.543 0.005 1 926 93 88 THR HG2 H 1.036 0.011 1 927 93 88 THR C C 174.506 0.013 1 928 93 88 THR CA C 60.290 0.049 1 929 93 88 THR CB C 69.125 0.109 1 930 93 88 THR CG2 C 21.979 0.070 1 931 93 88 THR N N 115.290 0.014 1 932 94 89 GLU H H 8.775 0.001 1 933 94 89 GLU HA H 4.194 0.010 1 934 94 89 GLU HB2 H 1.947 0.001 2 935 94 89 GLU HB3 H 2.087 0.002 2 936 94 89 GLU HG2 H 2.170 0.004 2 937 94 89 GLU HG3 H 2.294 0.000 2 938 94 89 GLU C C 176.722 0.009 1 939 94 89 GLU CA C 57.296 0.018 1 940 94 89 GLU CB C 28.785 0.006 1 941 94 89 GLU CG C 36.255 0.001 1 942 94 89 GLU N N 117.073 0.008 1 943 95 90 LYS H H 8.001 0.001 1 944 95 90 LYS HA H 4.257 0.006 1 945 95 90 LYS HB2 H 1.428 0.008 2 946 95 90 LYS HB3 H 1.514 0.013 2 947 95 90 LYS HD3 H 1.561 0.016 2 948 95 90 LYS HE2 H 2.871 0.005 2 949 95 90 LYS HE3 H 2.874 . 2 950 95 90 LYS HG2 H 1.150 0.001 2 951 95 90 LYS HG3 H 1.284 0.001 2 952 95 90 LYS C C 175.976 0.005 1 953 95 90 LYS CA C 55.168 0.043 1 954 95 90 LYS CB C 32.872 0.039 1 955 95 90 LYS CD C 28.887 0.063 1 956 95 90 LYS CE C 42.221 0.051 1 957 95 90 LYS CG C 25.126 0.039 1 958 95 90 LYS N N 122.369 0.007 1 959 96 91 ALA H H 8.381 0.001 1 960 96 91 ALA HA H 3.982 0.005 1 961 96 91 ALA HB H 1.316 0.004 1 962 96 91 ALA C C 178.509 0.017 1 963 96 91 ALA CA C 53.780 0.087 1 964 96 91 ALA CB C 18.099 0.007 1 965 96 91 ALA N N 127.575 0.002 1 966 97 92 GLY H H 8.539 0.001 1 967 97 92 GLY HA2 H 3.541 0.004 2 968 97 92 GLY HA3 H 3.753 0.016 2 969 97 92 GLY C C 172.605 0.006 1 970 97 92 GLY CA C 46.334 0.062 1 971 97 92 GLY N N 108.888 0.016 1 972 98 93 GLU H H 7.330 0.001 1 973 98 93 GLU HA H 4.947 0.009 1 974 98 93 GLU HB2 H 2.029 0.010 2 975 98 93 GLU HB3 H 1.247 0.006 2 976 98 93 GLU HG2 H 1.930 0.012 2 977 98 93 GLU HG3 H 2.462 0.012 2 978 98 93 GLU C C 174.359 0.039 1 979 98 93 GLU CA C 54.868 0.043 1 980 98 93 GLU CB C 32.687 0.017 1 981 98 93 GLU CG C 38.157 0.013 1 982 98 93 GLU N N 120.513 0.015 1 983 99 94 TYR H H 8.651 0.002 1 984 99 94 TYR HA H 5.006 0.006 1 985 99 94 TYR HB2 H 0.923 0.011 2 986 99 94 TYR HB3 H 2.084 0.001 2 987 99 94 TYR HD1 H 6.490 0.003 3 988 99 94 TYR HD2 H 6.490 0.003 3 989 99 94 TYR HE1 H 6.412 0.006 3 990 99 94 TYR HE2 H 6.412 0.006 3 991 99 94 TYR C C 174.485 0.011 1 992 99 94 TYR CA C 56.458 0.022 1 993 99 94 TYR CB C 42.560 0.077 1 994 99 94 TYR CD1 C 132.660 0.014 3 995 99 94 TYR CD2 C 132.660 0.014 3 996 99 94 TYR CE1 C 117.206 0.007 3 997 99 94 TYR CE2 C 117.206 0.007 3 998 99 94 TYR N N 124.849 0.009 1 999 100 95 SER H H 9.489 0.001 1 1000 100 95 SER HA H 5.580 0.005 1 1001 100 95 SER HB2 H 3.584 0.007 2 1002 100 95 SER HB3 H 3.866 0.003 2 1003 100 95 SER C C 174.057 0.011 1 1004 100 95 SER CA C 55.558 0.019 1 1005 100 95 SER CB C 66.037 0.026 1 1006 100 95 SER N N 114.317 0.018 1 1007 101 96 VAL H H 8.752 0.002 1 1008 101 96 VAL HA H 4.863 0.007 1 1009 101 96 VAL HB H 2.219 0.006 1 1010 101 96 VAL HG1 H 1.043 0.008 2 1011 101 96 VAL HG2 H 0.893 0.003 2 1012 101 96 VAL C C 173.708 0.012 1 1013 101 96 VAL CA C 60.474 0.025 1 1014 101 96 VAL CB C 35.248 0.047 1 1015 101 96 VAL CG1 C 23.016 0.022 2 1016 101 96 VAL CG2 C 19.456 0.028 2 1017 101 96 VAL N N 119.890 0.021 1 1018 102 97 THR H H 9.342 0.001 1 1019 102 97 THR HA H 4.736 0.012 1 1020 102 97 THR HB H 4.169 0.001 1 1021 102 97 THR HG2 H 1.235 0.004 1 1022 102 97 THR C C 174.625 0.009 1 1023 102 97 THR CA C 63.472 0.005 1 1024 102 97 THR CB C 69.131 0.012 1 1025 102 97 THR CG2 C 21.605 0.022 1 1026 102 97 THR N N 129.434 0.007 1 1027 103 98 TYR H H 8.652 0.002 1 1028 103 98 TYR HA H 4.185 0.010 1 1029 103 98 TYR HB2 H 2.087 0.004 2 1030 103 98 TYR HB3 H 3.497 0.003 2 1031 103 98 TYR HD1 H 6.744 0.002 3 1032 103 98 TYR HD2 H 6.744 0.002 3 1033 103 98 TYR HE1 H 6.693 0.002 3 1034 103 98 TYR HE2 H 6.693 0.002 3 1035 103 98 TYR C C 172.787 0.006 1 1036 103 98 TYR CA C 60.223 0.015 1 1037 103 98 TYR CB C 38.393 0.033 1 1038 103 98 TYR CD1 C 132.686 0.018 3 1039 103 98 TYR CD2 C 132.686 0.018 3 1040 103 98 TYR CE1 C 117.410 0.001 3 1041 103 98 TYR CE2 C 117.410 0.001 3 1042 103 98 TYR N N 127.567 0.011 1 1043 104 99 ASP H H 8.599 0.001 1 1044 104 99 ASP HA H 3.850 0.005 1 1045 104 99 ASP HB2 H 1.239 0.001 2 1046 104 99 ASP HB3 H 2.554 0.005 2 1047 104 99 ASP C C 174.482 0.003 1 1048 104 99 ASP CA C 54.479 0.011 1 1049 104 99 ASP CB C 39.471 0.025 1 1050 104 99 ASP N N 129.440 0.011 1 1051 105 100 GLY H H 7.830 0.001 1 1052 105 100 GLY HA2 H 3.652 0.004 2 1053 105 100 GLY HA3 H 4.525 0.008 2 1054 105 100 GLY C C 173.165 0.005 1 1055 105 100 GLY CA C 42.427 0.051 1 1056 105 100 GLY N N 102.330 0.004 1 1057 106 101 SER H H 8.382 0.002 1 1058 106 101 SER HA H 4.781 0.006 1 1059 106 101 SER HB2 H 3.842 0.006 2 1060 106 101 SER HB3 H 3.759 0.000 2 1061 106 101 SER C C 173.854 0.018 1 1062 106 101 SER CA C 57.574 0.020 1 1063 106 101 SER CB C 64.413 0.083 1 1064 106 101 SER N N 113.823 0.021 1 1065 107 102 ASN H H 8.238 0.002 1 1066 107 102 ASN HA H 6.336 0.009 1 1067 107 102 ASN HB2 H 2.171 0.004 2 1068 107 102 ASN HB3 H 3.042 0.005 2 1069 107 102 ASN HD21 H 8.197 0.001 2 1070 107 102 ASN HD22 H 6.730 0.002 2 1071 107 102 ASN C C 176.385 0.004 1 1072 107 102 ASN CA C 52.262 0.027 1 1073 107 102 ASN CB C 42.581 0.019 1 1074 107 102 ASN CG C 174.333 0.007 1 1075 107 102 ASN N N 121.570 0.015 1 1076 107 102 ASN ND2 N 115.616 0.002 1 1077 108 103 THR H H 8.859 0.002 1 1078 108 103 THR HA H 5.527 0.009 1 1079 108 103 THR HB H 3.989 0.013 1 1080 108 103 THR HG2 H 1.080 0.006 1 1081 108 103 THR C C 173.653 . 1 1082 108 103 THR CA C 60.053 0.038 1 1083 108 103 THR CB C 71.104 0.034 1 1084 108 103 THR CG2 C 21.922 0.016 1 1085 108 103 THR N N 115.162 0.039 1 1086 109 104 PHE H H 9.379 0.006 1 1087 109 104 PHE HA H 5.951 0.006 1 1088 109 104 PHE HB2 H 2.749 0.003 2 1089 109 104 PHE HB3 H 3.017 0.009 2 1090 109 104 PHE HD1 H 6.689 0.005 3 1091 109 104 PHE HD2 H 6.689 0.005 3 1092 109 104 PHE HE1 H 6.625 0.004 3 1093 109 104 PHE HE2 H 6.625 0.004 3 1094 109 104 PHE HZ H 6.518 0.006 1 1095 109 104 PHE C C 175.635 . 1 1096 109 104 PHE CA C 56.222 0.009 1 1097 109 104 PHE CB C 42.863 0.074 1 1098 109 104 PHE CD1 C 132.051 0.020 3 1099 109 104 PHE CD2 C 132.051 0.020 3 1100 109 104 PHE CE1 C 129.632 0.059 3 1101 109 104 PHE CE2 C 129.632 0.059 3 1102 109 104 PHE CZ C 128.303 0.026 1 1103 109 104 PHE N N 118.931 0.008 1 1104 110 105 THR H H 8.963 0.002 1 1105 110 105 THR HA H 4.908 0.005 1 1106 110 105 THR HB H 3.949 0.003 1 1107 110 105 THR HG2 H 1.137 0.002 1 1108 110 105 THR C C 173.830 . 1 1109 110 105 THR CA C 59.419 0.031 1 1110 110 105 THR CB C 72.181 0.069 1 1111 110 105 THR CG2 C 21.613 0.059 1 1112 110 105 THR N N 110.522 . 1 1113 111 106 ILE H H 8.385 0.003 1 1114 111 106 ILE HA H 4.524 0.004 1 1115 111 106 ILE HB H 1.711 0.015 1 1116 111 106 ILE HD1 H 0.910 0.011 1 1117 111 106 ILE HG12 H 1.147 0.005 2 1118 111 106 ILE HG13 H 1.517 0.007 2 1119 111 106 ILE HG2 H 0.716 0.004 1 1120 111 106 ILE C C 175.191 0.010 1 1121 111 106 ILE CA C 60.157 0.052 1 1122 111 106 ILE CB C 37.338 0.073 1 1123 111 106 ILE CD1 C 13.621 0.041 1 1124 111 106 ILE CG1 C 29.066 0.017 1 1125 111 106 ILE CG2 C 18.604 0.051 1 1126 111 106 ILE N N 122.244 0.031 1 1127 112 107 LEU H H 8.313 0.002 1 1128 112 107 LEU HA H 4.146 0.006 1 1129 112 107 LEU HB2 H 1.416 0.011 2 1130 112 107 LEU HB3 H 1.475 0.018 2 1131 112 107 LEU HD1 H 0.768 0.005 2 1132 112 107 LEU HD2 H 0.720 0.009 2 1133 112 107 LEU HG H 1.572 0.004 1 1134 112 107 LEU C C 177.276 0.008 1 1135 112 107 LEU CA C 57.030 0.069 1 1136 112 107 LEU CB C 43.487 0.011 1 1137 112 107 LEU CD1 C 23.755 0.053 2 1138 112 107 LEU CD2 C 25.904 0.015 2 1139 112 107 LEU CG C 26.772 0.031 1 1140 112 107 LEU N N 128.159 0.024 1 1141 113 108 LYS H H 7.249 0.002 1 1142 113 108 LYS HA H 4.669 0.009 1 1143 113 108 LYS HB2 H 1.850 0.009 2 1144 113 108 LYS HB3 H 1.893 0.002 2 1145 113 108 LYS HD2 H 1.604 0.007 2 1146 113 108 LYS HD3 H 1.864 0.019 2 1147 113 108 LYS HE2 H 2.882 0.011 2 1148 113 108 LYS HE3 H 2.973 0.001 2 1149 113 108 LYS HG2 H 1.440 0.017 2 1150 113 108 LYS HG3 H 1.556 0.002 2 1151 113 108 LYS C C 174.866 0.003 1 1152 113 108 LYS CA C 56.005 0.037 1 1153 113 108 LYS CB C 37.362 0.050 1 1154 113 108 LYS CD C 28.805 0.023 1 1155 113 108 LYS CE C 41.624 0.032 1 1156 113 108 LYS CG C 25.305 0.044 1 1157 113 108 LYS N N 113.110 0.011 1 1158 114 109 THR H H 8.646 0.001 1 1159 114 109 THR HA H 4.308 0.017 1 1160 114 109 THR HB H 4.088 0.006 1 1161 114 109 THR HG2 H 0.534 0.012 1 1162 114 109 THR C C 169.515 0.005 1 1163 114 109 THR CA C 59.936 0.103 1 1164 114 109 THR CB C 70.228 0.025 1 1165 114 109 THR CG2 C 18.150 0.027 1 1166 114 109 THR N N 118.410 0.017 1 1167 115 110 ASP H H 6.809 0.001 1 1168 115 110 ASP HA H 4.856 0.011 1 1169 115 110 ASP HB2 H 2.412 0.018 2 1170 115 110 ASP HB3 H 3.197 0.003 2 1171 115 110 ASP C C 179.407 0.005 1 1172 115 110 ASP CA C 52.377 0.065 1 1173 115 110 ASP CB C 42.525 0.013 1 1174 115 110 ASP N N 124.511 0.013 1 1175 116 111 TYR H H 8.994 0.002 1 1176 116 111 TYR HA H 3.819 0.008 1 1177 116 111 TYR HB2 H 2.935 0.010 2 1178 116 111 TYR HB3 H 3.655 0.007 2 1179 116 111 TYR HD1 H 6.838 0.003 3 1180 116 111 TYR HD2 H 6.838 0.003 3 1181 116 111 TYR HE1 H 6.521 0.003 3 1182 116 111 TYR HE2 H 6.521 0.003 3 1183 116 111 TYR C C 177.276 0.011 1 1184 116 111 TYR CA C 64.615 0.029 1 1185 116 111 TYR CB C 37.040 0.051 1 1186 116 111 TYR CD1 C 133.046 . 3 1187 116 111 TYR CD2 C 133.046 . 3 1188 116 111 TYR CE1 C 118.044 0.001 3 1189 116 111 TYR CE2 C 118.044 0.001 3 1190 116 111 TYR N N 116.970 0.014 1 1191 117 112 ASP H H 9.276 0.001 1 1192 117 112 ASP HA H 4.559 0.006 1 1193 117 112 ASP HB2 H 2.419 0.006 2 1194 117 112 ASP HB3 H 2.780 0.011 2 1195 117 112 ASP C C 176.001 0.012 1 1196 117 112 ASP CA C 55.192 0.045 1 1197 117 112 ASP CB C 42.911 0.049 1 1198 117 112 ASP N N 119.825 0.020 1 1199 118 113 ASN H H 9.368 0.002 1 1200 118 113 ASN HA H 5.178 0.016 1 1201 118 113 ASN HB2 H 2.816 0.005 2 1202 118 113 ASN HB3 H 3.772 0.002 2 1203 118 113 ASN HD21 H 8.760 0.004 2 1204 118 113 ASN HD22 H 7.132 0.004 2 1205 118 113 ASN C C 174.264 0.057 1 1206 118 113 ASN CA C 56.739 0.031 1 1207 118 113 ASN CB C 42.028 0.051 1 1208 118 113 ASN CG C 177.243 0.028 1 1209 118 113 ASN N N 116.720 0.015 1 1210 118 113 ASN ND2 N 117.251 0.003 1 1211 119 114 TYR H H 9.450 0.001 1 1212 119 114 TYR HA H 6.539 0.008 1 1213 119 114 TYR HB2 H 2.895 0.004 2 1214 119 114 TYR HB3 H 3.135 0.010 2 1215 119 114 TYR HD1 H 6.823 0.002 3 1216 119 114 TYR HD2 H 6.823 0.002 3 1217 119 114 TYR HE1 H 6.594 0.006 3 1218 119 114 TYR HE2 H 6.594 0.006 3 1219 119 114 TYR C C 174.131 0.032 1 1220 119 114 TYR CA C 56.768 0.008 1 1221 119 114 TYR CB C 44.664 0.059 1 1222 119 114 TYR CD1 C 133.616 0.020 3 1223 119 114 TYR CD2 C 133.616 0.020 3 1224 119 114 TYR CE1 C 117.432 0.003 3 1225 119 114 TYR CE2 C 117.432 0.003 3 1226 119 114 TYR N N 116.714 0.009 1 1227 120 115 ILE H H 8.876 0.001 1 1228 120 115 ILE HA H 4.384 0.008 1 1229 120 115 ILE HB H 1.138 0.002 1 1230 120 115 ILE HD1 H 0.245 0.007 1 1231 120 115 ILE HG12 H 0.456 0.004 2 1232 120 115 ILE HG13 H 1.225 0.010 2 1233 120 115 ILE HG2 H -0.077 0.006 1 1234 120 115 ILE C C 172.032 0.007 1 1235 120 115 ILE CA C 61.247 0.028 1 1236 120 115 ILE CB C 42.247 0.037 1 1237 120 115 ILE CD1 C 14.414 0.032 1 1238 120 115 ILE CG1 C 29.560 0.023 1 1239 120 115 ILE CG2 C 16.839 0.042 1 1240 120 115 ILE N N 120.956 0.028 1 1241 121 116 MET H H 8.901 0.001 1 1242 121 116 MET HA H 5.607 0.006 1 1243 121 116 MET HB2 H 2.723 0.012 2 1244 121 116 MET HB3 H 1.641 0.004 2 1245 121 116 MET HE H 1.759 . 1 1246 121 116 MET HG2 H 2.151 0.011 2 1247 121 116 MET HG3 H 2.682 0.007 2 1248 121 116 MET C C 174.783 0.004 1 1249 121 116 MET CA C 54.479 0.019 1 1250 121 116 MET CB C 33.615 0.077 1 1251 121 116 MET CE C 18.023 . 1 1252 121 116 MET CG C 33.629 0.034 1 1253 121 116 MET N N 123.764 0.023 1 1254 122 117 ILE H H 9.057 0.001 1 1255 122 117 ILE HA H 4.662 0.016 1 1256 122 117 ILE HB H 1.153 0.002 1 1257 122 117 ILE HD1 H 0.056 0.004 1 1258 122 117 ILE HG12 H 0.610 0.006 2 1259 122 117 ILE HG13 H 0.970 0.004 2 1260 122 117 ILE HG2 H 0.523 0.007 1 1261 122 117 ILE C C 174.097 0.009 1 1262 122 117 ILE CA C 59.692 0.011 1 1263 122 117 ILE CB C 42.080 0.010 1 1264 122 117 ILE CD1 C 12.255 0.030 1 1265 122 117 ILE CG1 C 28.241 0.028 1 1266 122 117 ILE CG2 C 17.329 0.020 1 1267 122 117 ILE N N 125.539 0.012 1 1268 123 118 HIS H H 8.520 0.004 1 1269 123 118 HIS HA H 5.246 0.006 1 1270 123 118 HIS HB2 H 2.597 0.006 2 1271 123 118 HIS HB3 H 3.061 0.006 2 1272 123 118 HIS HD2 H 6.684 0.001 1 1273 123 118 HIS HE1 H 8.133 . 1 1274 123 118 HIS C C 172.126 0.009 1 1275 123 118 HIS CA C 55.417 0.011 1 1276 123 118 HIS CB C 33.929 0.021 1 1277 123 118 HIS CD2 C 116.277 . 1 1278 123 118 HIS CE1 C 135.912 . 1 1279 123 118 HIS N N 126.523 0.015 1 1280 124 119 LEU H H 9.366 0.002 1 1281 124 119 LEU HA H 5.306 0.007 1 1282 124 119 LEU HB2 H 1.277 0.002 2 1283 124 119 LEU HB3 H 1.669 0.006 2 1284 124 119 LEU HD1 H 0.497 0.005 2 1285 124 119 LEU HD2 H 0.750 0.006 2 1286 124 119 LEU HG H 1.578 0.005 1 1287 124 119 LEU C C 173.899 0.022 1 1288 124 119 LEU CA C 53.965 0.029 1 1289 124 119 LEU CB C 45.987 0.040 1 1290 124 119 LEU CD1 C 25.800 0.019 2 1291 124 119 LEU CD2 C 24.533 0.047 2 1292 124 119 LEU CG C 27.537 0.082 1 1293 124 119 LEU N N 132.434 0.009 1 1294 125 120 ILE H H 9.148 0.001 1 1295 125 120 ILE HA H 4.533 0.005 1 1296 125 120 ILE HB H 1.656 0.005 1 1297 125 120 ILE HD1 H 0.733 0.010 1 1298 125 120 ILE HG12 H 1.288 0.005 2 1299 125 120 ILE HG13 H 0.900 0.004 2 1300 125 120 ILE HG2 H 0.700 0.019 1 1301 125 120 ILE C C 175.059 0.006 1 1302 125 120 ILE CA C 60.276 0.063 1 1303 125 120 ILE CB C 40.185 0.034 1 1304 125 120 ILE CD1 C 13.112 0.078 1 1305 125 120 ILE CG1 C 27.490 0.057 1 1306 125 120 ILE CG2 C 17.630 0.067 1 1307 125 120 ILE N N 124.963 0.029 1 1308 126 121 ASN H H 8.388 0.002 1 1309 126 121 ASN HA H 5.093 0.006 1 1310 126 121 ASN HB2 H 0.752 0.009 2 1311 126 121 ASN HB3 H 1.960 0.008 2 1312 126 121 ASN HD21 H 8.391 0.001 2 1313 126 121 ASN HD22 H 6.875 0.000 2 1314 126 121 ASN C C 173.617 0.013 1 1315 126 121 ASN CA C 52.612 0.032 1 1316 126 121 ASN CB C 42.728 0.083 1 1317 126 121 ASN CG C 175.702 0.009 1 1318 126 121 ASN N N 128.916 0.006 1 1319 126 121 ASN ND2 N 113.219 0.005 1 1320 127 122 LYS H H 8.724 0.001 1 1321 127 122 LYS HA H 5.058 0.011 1 1322 127 122 LYS HB2 H 1.530 0.007 2 1323 127 122 LYS HB3 H 1.681 0.003 2 1324 127 122 LYS HD2 H 1.536 0.012 2 1325 127 122 LYS HD3 H 1.521 0.008 2 1326 127 122 LYS HE2 H 2.815 0.020 2 1327 127 122 LYS HE3 H 2.823 0.008 2 1328 127 122 LYS HG2 H 1.299 0.013 2 1329 127 122 LYS HG3 H 1.241 0.011 2 1330 127 122 LYS C C 175.584 0.003 1 1331 127 122 LYS CA C 55.058 0.023 1 1332 127 122 LYS CB C 35.426 0.040 1 1333 127 122 LYS CD C 29.447 0.026 1 1334 127 122 LYS CE C 42.104 0.031 1 1335 127 122 LYS CG C 25.269 0.044 1 1336 127 122 LYS N N 124.112 0.012 1 1337 128 123 LYS H H 8.444 0.002 1 1338 128 123 LYS HA H 4.372 0.011 1 1339 128 123 LYS HB2 H 1.795 0.006 2 1340 128 123 LYS HB3 H 1.972 0.011 2 1341 128 123 LYS HD2 H 1.500 0.006 2 1342 128 123 LYS HD3 H 1.395 0.010 2 1343 128 123 LYS HE2 H 2.848 0.003 2 1344 128 123 LYS HE3 H 2.778 0.012 2 1345 128 123 LYS HG2 H 1.254 0.002 2 1346 128 123 LYS HG3 H 1.112 0.006 2 1347 128 123 LYS C C 176.033 0.013 1 1348 128 123 LYS CA C 56.796 0.055 1 1349 128 123 LYS CB C 34.683 0.009 1 1350 128 123 LYS CD C 28.958 0.040 1 1351 128 123 LYS CE C 42.264 0.049 1 1352 128 123 LYS CG C 24.957 0.075 1 1353 128 123 LYS N N 126.038 0.016 1 1354 129 124 ASP H H 9.375 0.002 1 1355 129 124 ASP HA H 4.288 0.006 1 1356 129 124 ASP HB2 H 2.633 0.004 2 1357 129 124 ASP HB3 H 2.920 0.002 2 1358 129 124 ASP C C 175.644 0.008 1 1359 129 124 ASP CA C 55.849 0.005 1 1360 129 124 ASP CB C 39.651 0.041 1 1361 129 124 ASP N N 128.232 0.015 1 1362 130 125 GLY H H 8.570 0.001 1 1363 130 125 GLY HA2 H 3.634 0.005 2 1364 130 125 GLY HA3 H 4.131 0.015 2 1365 130 125 GLY C C 174.163 0.012 1 1366 130 125 GLY CA C 45.669 0.044 1 1367 130 125 GLY N N 104.851 0.017 1 1368 131 126 GLU H H 8.008 0.001 1 1369 131 126 GLU HA H 4.757 0.009 1 1370 131 126 GLU HB2 H 2.132 0.023 2 1371 131 126 GLU HB3 H 2.046 0.020 2 1372 131 126 GLU HG2 H 2.213 0.000 2 1373 131 126 GLU HG3 H 2.336 0.000 2 1374 131 126 GLU C C 176.438 0.009 1 1375 131 126 GLU CA C 54.939 0.041 1 1376 131 126 GLU CB C 32.569 0.025 1 1377 131 126 GLU CG C 36.229 0.002 1 1378 131 126 GLU N N 120.852 0.031 1 1379 132 127 THR H H 8.757 0.001 1 1380 132 127 THR HA H 5.776 0.005 1 1381 132 127 THR HB H 3.917 0.006 1 1382 132 127 THR HG2 H 1.072 0.008 1 1383 132 127 THR C C 173.720 0.009 1 1384 132 127 THR CA C 60.325 0.031 1 1385 132 127 THR CB C 71.830 0.028 1 1386 132 127 THR CG2 C 20.380 0.015 1 1387 132 127 THR N N 118.624 0.007 1 1388 133 128 PHE H H 8.375 0.003 1 1389 133 128 PHE HA H 5.117 0.008 1 1390 133 128 PHE HB2 H 3.057 0.000 2 1391 133 128 PHE HB3 H 3.551 0.004 2 1392 133 128 PHE HD1 H 7.154 0.003 3 1393 133 128 PHE HD2 H 7.154 0.003 3 1394 133 128 PHE HE1 H 7.109 0.002 3 1395 133 128 PHE HE2 H 7.109 0.002 3 1396 133 128 PHE HZ H 7.029 0.003 1 1397 133 128 PHE C C 172.047 0.009 1 1398 133 128 PHE CA C 57.275 0.001 1 1399 133 128 PHE CB C 41.318 0.074 1 1400 133 128 PHE CD1 C 133.226 0.041 3 1401 133 128 PHE CD2 C 133.226 0.041 3 1402 133 128 PHE CE1 C 130.719 0.037 3 1403 133 128 PHE CE2 C 130.719 0.037 3 1404 133 128 PHE CZ C 128.454 0.040 1 1405 133 128 PHE N N 120.349 0.013 1 1406 134 129 GLN H H 10.113 0.003 1 1407 134 129 GLN HA H 5.422 0.016 1 1408 134 129 GLN HB2 H 1.957 0.012 2 1409 134 129 GLN HB3 H 2.014 0.005 2 1410 134 129 GLN HE21 H 7.492 0.000 2 1411 134 129 GLN HE22 H 7.396 0.003 2 1412 134 129 GLN HG2 H 2.364 0.025 2 1413 134 129 GLN HG3 H 2.497 0.020 2 1414 134 129 GLN C C 175.015 0.001 1 1415 134 129 GLN CA C 53.700 0.020 1 1416 134 129 GLN CB C 34.242 0.012 1 1417 134 129 GLN CD C 181.071 0.014 1 1418 134 129 GLN CG C 34.706 0.082 1 1419 134 129 GLN N N 117.600 0.018 1 1420 134 129 GLN NE2 N 111.072 0.000 1 1421 135 130 LEU H H 9.898 0.002 1 1422 135 130 LEU HA H 5.367 0.006 1 1423 135 130 LEU HB2 H 1.356 0.005 2 1424 135 130 LEU HB3 H 1.970 0.010 2 1425 135 130 LEU HD1 H 1.006 0.010 2 1426 135 130 LEU HD2 H 0.924 0.004 2 1427 135 130 LEU HG H 1.510 0.005 1 1428 135 130 LEU C C 174.585 0.026 1 1429 135 130 LEU CA C 53.522 0.048 1 1430 135 130 LEU CB C 47.537 0.030 1 1431 135 130 LEU CD1 C 25.107 0.072 2 1432 135 130 LEU CD2 C 27.306 0.024 2 1433 135 130 LEU CG C 27.965 0.020 1 1434 135 130 LEU N N 126.923 0.012 1 1435 136 131 MET H H 9.654 0.002 1 1436 136 131 MET HA H 5.670 0.008 1 1437 136 131 MET HB2 H 1.637 0.008 2 1438 136 131 MET HB3 H 2.058 0.003 2 1439 136 131 MET HE H 1.258 . 1 1440 136 131 MET HG2 H 2.277 0.007 2 1441 136 131 MET HG3 H 2.281 0.008 2 1442 136 131 MET C C 176.241 0.002 1 1443 136 131 MET CA C 53.015 0.006 1 1444 136 131 MET CB C 35.521 0.060 1 1445 136 131 MET CE C 15.921 . 1 1446 136 131 MET CG C 32.934 0.034 1 1447 136 131 MET N N 124.409 0.011 1 1448 137 132 GLU H H 9.111 0.003 1 1449 137 132 GLU HA H 5.187 0.006 1 1450 137 132 GLU HB2 H 2.039 0.015 2 1451 137 132 GLU HB3 H 2.187 0.001 2 1452 137 132 GLU HG3 H 1.404 0.006 2 1453 137 132 GLU C C 172.946 0.005 1 1454 137 132 GLU CA C 53.862 0.062 1 1455 137 132 GLU CB C 32.539 0.055 1 1456 137 132 GLU CG C 32.851 0.041 1 1457 137 132 GLU N N 118.929 0.008 1 1458 138 133 LEU H H 8.342 0.002 1 1459 138 133 LEU HA H 4.958 0.008 1 1460 138 133 LEU HB2 H -0.491 0.005 2 1461 138 133 LEU HB3 H 1.062 0.006 2 1462 138 133 LEU HD1 H 0.469 0.003 2 1463 138 133 LEU HD2 H 0.770 0.008 2 1464 138 133 LEU HG H 1.069 0.006 1 1465 138 133 LEU C C 175.175 0.006 1 1466 138 133 LEU CA C 52.953 0.055 1 1467 138 133 LEU CB C 42.918 0.078 1 1468 138 133 LEU CD1 C 26.520 0.015 2 1469 138 133 LEU CD2 C 23.983 0.044 2 1470 138 133 LEU CG C 27.365 0.075 1 1471 138 133 LEU N N 125.123 0.007 1 1472 139 134 TYR H H 9.169 0.002 1 1473 139 134 TYR HA H 6.348 0.007 1 1474 139 134 TYR HB2 H 2.784 0.009 2 1475 139 134 TYR HB3 H 3.335 0.004 2 1476 139 134 TYR HD1 H 6.409 0.006 3 1477 139 134 TYR HD2 H 6.409 0.006 3 1478 139 134 TYR HE1 H 6.410 0.006 3 1479 139 134 TYR HE2 H 6.410 0.006 3 1480 139 134 TYR C C 175.744 0.004 1 1481 139 134 TYR CA C 51.426 0.007 1 1482 139 134 TYR CB C 39.748 0.035 1 1483 139 134 TYR CD1 C 130.073 0.062 3 1484 139 134 TYR CD2 C 130.073 0.062 3 1485 139 134 TYR CE1 C 117.795 0.027 3 1486 139 134 TYR CE2 C 117.795 0.027 3 1487 139 134 TYR N N 126.506 0.032 1 1488 140 135 GLY H H 9.728 0.002 1 1489 140 135 GLY HA2 H 3.987 0.006 2 1490 140 135 GLY HA3 H 6.252 0.006 2 1491 140 135 GLY C C 174.843 0.013 1 1492 140 135 GLY CA C 44.065 0.035 1 1493 140 135 GLY N N 107.245 0.019 1 1494 141 136 ARG H H 8.535 0.002 1 1495 141 136 ARG HA H 3.940 0.009 1 1496 141 136 ARG HB2 H 1.813 0.018 2 1497 141 136 ARG HB3 H 1.935 0.019 2 1498 141 136 ARG HD2 H 2.386 0.007 2 1499 141 136 ARG HD3 H 1.548 0.003 2 1500 141 136 ARG HE H 7.256 0.001 1 1501 141 136 ARG HG2 H 1.157 0.004 2 1502 141 136 ARG HG3 H 0.897 0.012 2 1503 141 136 ARG C C 176.293 0.013 1 1504 141 136 ARG CA C 55.914 0.019 1 1505 141 136 ARG CB C 31.428 0.054 1 1506 141 136 ARG CD C 42.393 0.022 1 1507 141 136 ARG CG C 25.781 0.035 1 1508 141 136 ARG CZ C 159.712 . 1 1509 141 136 ARG N N 121.081 0.020 1 1510 141 136 ARG NE N 84.600 0.021 1 1511 142 137 GLU H H 8.325 0.002 1 1512 142 137 GLU HA H 4.480 0.004 1 1513 142 137 GLU HB2 H 1.935 0.003 2 1514 142 137 GLU HB3 H 2.165 0.002 2 1515 142 137 GLU HG2 H 2.319 0.008 2 1516 142 137 GLU HG3 H 2.223 0.001 2 1517 142 137 GLU CA C 53.397 0.022 1 1518 142 137 GLU CB C 30.815 0.011 1 1519 142 137 GLU CG C 36.277 0.002 1 1520 142 137 GLU N N 118.323 0.018 1 1521 143 138 PRO HA H 3.328 0.006 1 1522 143 138 PRO HB2 H 1.538 0.004 2 1523 143 138 PRO HB3 H 1.661 0.001 2 1524 143 138 PRO HD2 H 2.902 0.007 2 1525 143 138 PRO HD3 H 3.338 0.003 2 1526 143 138 PRO HG2 H 0.837 0.007 2 1527 143 138 PRO HG3 H 1.609 0.006 2 1528 143 138 PRO C C 174.938 0.019 1 1529 143 138 PRO CA C 63.601 0.022 1 1530 143 138 PRO CB C 31.116 0.038 1 1531 143 138 PRO CD C 49.797 0.023 1 1532 143 138 PRO CG C 26.311 0.051 1 1533 144 139 ASP H H 7.167 0.001 1 1534 144 139 ASP HA H 4.837 0.005 1 1535 144 139 ASP HB2 H 2.409 0.002 2 1536 144 139 ASP HB3 H 2.485 0.002 2 1537 144 139 ASP C C 174.530 0.003 1 1538 144 139 ASP CA C 51.992 0.060 1 1539 144 139 ASP CB C 43.538 0.015 1 1540 144 139 ASP N N 114.924 0.008 1 1541 145 140 LEU H H 8.824 0.002 1 1542 145 140 LEU HA H 4.787 0.009 1 1543 145 140 LEU HB2 H 1.294 0.011 2 1544 145 140 LEU HB3 H 1.634 0.006 2 1545 145 140 LEU HD1 H 0.929 0.006 2 1546 145 140 LEU HD2 H 1.298 0.004 2 1547 145 140 LEU HG H 1.592 0.006 1 1548 145 140 LEU C C 175.731 0.030 1 1549 145 140 LEU CA C 52.724 0.048 1 1550 145 140 LEU CB C 49.132 0.069 1 1551 145 140 LEU CD1 C 27.594 0.018 2 1552 145 140 LEU CD2 C 24.229 0.064 2 1553 145 140 LEU CG C 26.972 0.004 1 1554 145 140 LEU N N 119.997 0.028 1 1555 146 141 SER H H 8.149 0.002 1 1556 146 141 SER HA H 4.260 0.005 1 1557 146 141 SER HB2 H 3.947 0.003 2 1558 146 141 SER HB3 H 4.234 . 2 1559 146 141 SER C C 175.782 . 1 1560 146 141 SER CA C 58.365 0.069 1 1561 146 141 SER CB C 64.154 0.014 1 1562 146 141 SER N N 114.137 0.002 1 1563 147 142 SER H H 8.996 0.002 1 1564 147 142 SER HA H 4.307 0.007 1 1565 147 142 SER HB3 H 3.972 0.001 2 1566 147 142 SER C C 176.272 . 1 1567 147 142 SER CA C 61.255 . 1 1568 147 142 SER CB C 62.802 0.074 1 1569 147 142 SER N N 118.391 0.008 1 1570 148 143 ASP H H 8.563 0.004 1 1571 148 143 ASP HA H 4.332 0.005 1 1572 148 143 ASP HB2 H 2.529 0.009 2 1573 148 143 ASP HB3 H 2.632 0.002 2 1574 148 143 ASP C C 178.740 0.007 1 1575 148 143 ASP CA C 56.959 0.004 1 1576 148 143 ASP CB C 39.787 0.042 1 1577 148 143 ASP N N 120.482 0.022 1 1578 149 144 ILE H H 7.378 0.003 1 1579 149 144 ILE HA H 3.466 0.007 1 1580 149 144 ILE HB H 1.790 0.008 1 1581 149 144 ILE HD1 H 0.709 0.013 1 1582 149 144 ILE HG12 H 0.905 0.008 2 1583 149 144 ILE HG13 H 1.388 0.003 2 1584 149 144 ILE HG2 H 0.370 0.005 1 1585 149 144 ILE C C 177.931 0.015 1 1586 149 144 ILE CA C 63.435 0.032 1 1587 149 144 ILE CB C 36.771 0.024 1 1588 149 144 ILE CD1 C 12.271 0.034 1 1589 149 144 ILE CG1 C 28.412 0.038 1 1590 149 144 ILE CG2 C 18.666 0.025 1 1591 149 144 ILE N N 121.874 0.019 1 1592 150 145 LYS H H 7.456 0.001 1 1593 150 145 LYS HA H 3.757 0.007 1 1594 150 145 LYS HB2 H 1.864 0.010 2 1595 150 145 LYS HB3 H 1.849 0.003 2 1596 150 145 LYS HD2 H 1.564 . 2 1597 150 145 LYS HD3 H 1.683 0.008 2 1598 150 145 LYS HE2 H 3.076 0.006 2 1599 150 145 LYS HE3 H 2.486 0.008 2 1600 150 145 LYS HG2 H 0.990 0.018 2 1601 150 145 LYS HG3 H 1.381 0.011 2 1602 150 145 LYS C C 179.085 0.009 1 1603 150 145 LYS CA C 60.965 0.036 1 1604 150 145 LYS CB C 32.190 0.020 1 1605 150 145 LYS CD C 29.954 0.054 1 1606 150 145 LYS CE C 42.260 0.032 1 1607 150 145 LYS CG C 26.796 0.013 1 1608 150 145 LYS N N 119.643 0.005 1 1609 151 146 GLU H H 8.270 0.002 1 1610 151 146 GLU HA H 4.204 0.005 1 1611 151 146 GLU HB2 H 1.939 0.007 2 1612 151 146 GLU HB3 H 2.107 0.005 2 1613 151 146 GLU HG2 H 2.370 0.012 2 1614 151 146 GLU HG3 H 2.234 0.007 2 1615 151 146 GLU C C 178.694 0.012 1 1616 151 146 GLU CA C 58.558 0.075 1 1617 151 146 GLU CB C 28.519 0.028 1 1618 151 146 GLU CG C 35.567 0.125 1 1619 151 146 GLU N N 119.429 0.008 1 1620 152 147 LYS H H 7.690 0.001 1 1621 152 147 LYS HA H 4.001 0.008 1 1622 152 147 LYS HB2 H 1.750 0.004 2 1623 152 147 LYS HB3 H 1.859 0.004 2 1624 152 147 LYS HD3 H 1.533 0.014 2 1625 152 147 LYS HE2 H 2.820 0.009 2 1626 152 147 LYS HE3 H 2.886 0.000 2 1627 152 147 LYS HG2 H 1.344 0.007 2 1628 152 147 LYS HG3 H 1.449 0.006 2 1629 152 147 LYS C C 179.214 . 1 1630 152 147 LYS CA C 58.986 0.033 1 1631 152 147 LYS CB C 31.590 0.052 1 1632 152 147 LYS CD C 28.965 0.105 1 1633 152 147 LYS CE C 41.535 0.035 1 1634 152 147 LYS CG C 24.699 0.015 1 1635 152 147 LYS N N 121.447 0.018 1 1636 153 148 PHE H H 8.387 0.003 1 1637 153 148 PHE HA H 4.219 0.011 1 1638 153 148 PHE HB2 H 2.998 0.003 2 1639 153 148 PHE HB3 H 3.367 0.008 2 1640 153 148 PHE HD1 H 7.261 0.005 3 1641 153 148 PHE HD2 H 7.261 0.005 3 1642 153 148 PHE HE1 H 7.218 0.002 3 1643 153 148 PHE HE2 H 7.218 0.002 3 1644 153 148 PHE HZ H 7.136 0.003 1 1645 153 148 PHE C C 177.804 0.006 1 1646 153 148 PHE CA C 61.199 0.039 1 1647 153 148 PHE CB C 39.569 0.043 1 1648 153 148 PHE CD1 C 132.975 0.093 3 1649 153 148 PHE CD2 C 132.975 0.093 3 1650 153 148 PHE CE1 C 130.457 0.010 3 1651 153 148 PHE CE2 C 130.457 0.010 3 1652 153 148 PHE CZ C 128.237 0.010 1 1653 153 148 PHE N N 120.054 0.024 1 1654 154 149 ALA H H 8.465 0.001 1 1655 154 149 ALA HA H 3.724 0.004 1 1656 154 149 ALA HB H 1.449 0.005 1 1657 154 149 ALA C C 179.132 0.008 1 1658 154 149 ALA CA C 55.568 0.013 1 1659 154 149 ALA CB C 17.722 0.034 1 1660 154 149 ALA N N 125.644 0.010 1 1661 155 150 GLN H H 8.314 0.002 1 1662 155 150 GLN HA H 4.012 0.005 1 1663 155 150 GLN HB2 H 2.061 0.009 2 1664 155 150 GLN HB3 H 2.107 0.013 2 1665 155 150 GLN HE21 H 7.997 0.003 2 1666 155 150 GLN HE22 H 6.730 0.003 2 1667 155 150 GLN HG2 H 2.542 0.014 2 1668 155 150 GLN HG3 H 2.251 0.008 2 1669 155 150 GLN C C 179.171 . 1 1670 155 150 GLN CA C 59.004 0.025 1 1671 155 150 GLN CB C 27.885 0.038 1 1672 155 150 GLN CD C 180.240 0.009 1 1673 155 150 GLN CG C 33.605 0.048 1 1674 155 150 GLN N N 118.045 0.012 1 1675 155 150 GLN NE2 N 112.280 0.001 1 1676 156 151 LEU H H 8.125 0.002 1 1677 156 151 LEU HA H 4.079 0.007 1 1678 156 151 LEU HB2 H 1.423 0.006 2 1679 156 151 LEU HB3 H 1.621 0.006 2 1680 156 151 LEU HD1 H 0.892 0.019 2 1681 156 151 LEU HD2 H 0.838 0.012 2 1682 156 151 LEU HG H 1.550 0.005 1 1683 156 151 LEU C C 180.394 0.007 1 1684 156 151 LEU CA C 57.550 0.012 1 1685 156 151 LEU CB C 42.068 0.056 1 1686 156 151 LEU CD1 C 25.254 0.023 2 1687 156 151 LEU CD2 C 25.252 0.022 2 1688 156 151 LEU CG C 27.251 0.071 1 1689 156 151 LEU N N 120.610 0.008 1 1690 157 152 SER H H 8.200 0.004 1 1691 157 152 SER HA H 3.964 0.013 1 1692 157 152 SER HB2 H 3.162 0.007 2 1693 157 152 SER HB3 H 3.830 . 2 1694 157 152 SER C C 176.772 0.000 1 1695 157 152 SER CA C 63.815 0.043 1 1696 157 152 SER CB C 61.871 0.015 1 1697 157 152 SER N N 119.272 0.033 1 1698 158 153 GLU H H 8.263 0.001 1 1699 158 153 GLU HA H 4.402 0.007 1 1700 158 153 GLU HB2 H 2.170 0.006 2 1701 158 153 GLU HB3 H 2.010 0.005 2 1702 158 153 GLU HG2 H 2.408 0.005 2 1703 158 153 GLU HG3 H 2.245 0.001 2 1704 158 153 GLU C C 181.741 0.006 1 1705 158 153 GLU CA C 59.458 0.047 1 1706 158 153 GLU CB C 29.371 0.031 1 1707 158 153 GLU CG C 36.780 0.002 1 1708 158 153 GLU N N 125.194 0.006 1 1709 159 154 GLU H H 8.167 0.001 1 1710 159 154 GLU HA H 4.022 0.004 1 1711 159 154 GLU HB2 H 1.962 0.026 2 1712 159 154 GLU HB3 H 2.168 0.018 2 1713 159 154 GLU HG2 H 2.129 0.007 2 1714 159 154 GLU HG3 H 2.410 0.004 2 1715 159 154 GLU C C 177.914 0.005 1 1716 159 154 GLU CA C 58.657 0.028 1 1717 159 154 GLU CB C 29.228 0.032 1 1718 159 154 GLU CG C 36.409 0.035 1 1719 159 154 GLU N N 120.825 0.015 1 1720 160 155 HIS H H 7.553 0.002 1 1721 160 155 HIS HA H 4.416 0.013 1 1722 160 155 HIS HB2 H 2.801 0.006 2 1723 160 155 HIS HB3 H 3.830 0.012 2 1724 160 155 HIS HD2 H 7.082 0.001 1 1725 160 155 HIS HE1 H 7.813 . 1 1726 160 155 HIS C C 173.752 0.005 1 1727 160 155 HIS CA C 57.125 0.053 1 1728 160 155 HIS CB C 28.077 0.040 1 1729 160 155 HIS CD2 C 121.056 . 1 1730 160 155 HIS CE1 C 137.663 . 1 1731 160 155 HIS N N 115.261 0.016 1 1732 161 156 GLY H H 7.901 0.002 1 1733 161 156 GLY HA2 H 3.690 0.003 2 1734 161 156 GLY HA3 H 4.183 0.007 2 1735 161 156 GLY C C 174.262 . 1 1736 161 156 GLY CA C 45.716 0.085 1 1737 161 156 GLY N N 106.997 0.013 1 1738 162 157 ILE H H 7.666 0.001 1 1739 162 157 ILE HA H 4.017 0.006 1 1740 162 157 ILE HB H 1.292 0.003 1 1741 162 157 ILE HD1 H 0.592 0.009 1 1742 162 157 ILE HG12 H 0.628 0.012 2 1743 162 157 ILE HG13 H 1.369 0.005 2 1744 162 157 ILE HG2 H 0.687 0.006 1 1745 162 157 ILE C C 174.707 0.012 1 1746 162 157 ILE CA C 60.627 0.013 1 1747 162 157 ILE CB C 38.171 0.035 1 1748 162 157 ILE CD1 C 13.542 0.036 1 1749 162 157 ILE CG1 C 27.975 0.067 1 1750 162 157 ILE CG2 C 17.728 0.084 1 1751 162 157 ILE N N 123.255 0.012 1 1752 163 158 VAL H H 7.927 0.001 1 1753 163 158 VAL HA H 4.307 0.011 1 1754 163 158 VAL HB H 2.451 0.006 1 1755 163 158 VAL HG1 H 1.036 0.009 2 1756 163 158 VAL HG2 H 0.917 0.005 2 1757 163 158 VAL C C 178.293 0.020 1 1758 163 158 VAL CA C 60.922 0.045 1 1759 163 158 VAL CB C 32.299 0.058 1 1760 163 158 VAL CG1 C 21.851 0.056 2 1761 163 158 VAL CG2 C 18.728 0.063 2 1762 163 158 VAL N N 118.994 0.012 1 1763 164 159 ARG H H 8.689 0.001 1 1764 164 159 ARG HA H 3.840 0.006 1 1765 164 159 ARG HB2 H 1.827 0.010 2 1766 164 159 ARG HB3 H 1.749 0.025 2 1767 164 159 ARG HD2 H 3.172 0.001 2 1768 164 159 ARG HD3 H 3.094 0.016 2 1769 164 159 ARG HE H 7.346 0.002 1 1770 164 159 ARG HG2 H 1.718 0.003 2 1771 164 159 ARG HG3 H 1.546 0.006 2 1772 164 159 ARG C C 178.804 0.016 1 1773 164 159 ARG CA C 59.192 0.067 1 1774 164 159 ARG CB C 29.360 0.082 1 1775 164 159 ARG CD C 43.021 0.072 1 1776 164 159 ARG CG C 28.664 0.037 1 1777 164 159 ARG CZ C 159.551 . 1 1778 164 159 ARG N N 121.057 0.014 1 1779 164 159 ARG NE N 84.632 0.011 1 1780 165 160 GLU H H 8.806 0.001 1 1781 165 160 GLU HA H 4.206 0.009 1 1782 165 160 GLU HB2 H 2.023 . 2 1783 165 160 GLU HB3 H 2.023 0.009 2 1784 165 160 GLU HG2 H 2.383 0.000 2 1785 165 160 GLU HG3 H 2.248 0.002 2 1786 165 160 GLU C C 176.338 0.011 1 1787 165 160 GLU CA C 58.815 0.020 1 1788 165 160 GLU CB C 28.461 0.001 1 1789 165 160 GLU CG C 36.669 0.002 1 1790 165 160 GLU N N 116.788 0.011 1 1791 166 161 ASN H H 8.229 0.002 1 1792 166 161 ASN HA H 4.663 0.003 1 1793 166 161 ASN HB2 H 2.859 0.018 2 1794 166 161 ASN HB3 H 4.000 0.000 2 1795 166 161 ASN HD21 H 7.376 0.001 2 1796 166 161 ASN HD22 H 6.840 0.000 2 1797 166 161 ASN C C 172.360 0.008 1 1798 166 161 ASN CA C 52.172 0.019 1 1799 166 161 ASN CB C 37.679 0.039 1 1800 166 161 ASN CG C 177.647 0.006 1 1801 166 161 ASN N N 120.274 0.038 1 1802 166 161 ASN ND2 N 108.346 0.001 1 1803 167 162 ILE H H 7.161 0.001 1 1804 167 162 ILE HA H 4.574 0.008 1 1805 167 162 ILE HB H 1.984 0.015 1 1806 167 162 ILE HD1 H 0.845 0.010 1 1807 167 162 ILE HG12 H 1.834 0.006 2 1808 167 162 ILE HG13 H 0.929 0.003 2 1809 167 162 ILE HG2 H 0.925 0.007 1 1810 167 162 ILE C C 176.060 0.001 1 1811 167 162 ILE CA C 61.198 0.030 1 1812 167 162 ILE CB C 38.405 0.102 1 1813 167 162 ILE CD1 C 14.977 0.018 1 1814 167 162 ILE CG1 C 26.381 0.054 1 1815 167 162 ILE CG2 C 17.645 0.033 1 1816 167 162 ILE N N 118.053 0.015 1 1817 168 163 ILE H H 9.347 0.002 1 1818 168 163 ILE HA H 4.460 0.009 1 1819 168 163 ILE HB H 1.700 0.006 1 1820 168 163 ILE HD1 H 0.710 0.008 1 1821 168 163 ILE HG12 H 1.472 0.005 2 1822 168 163 ILE HG13 H 1.051 0.006 2 1823 168 163 ILE HG2 H 0.816 0.006 1 1824 168 163 ILE C C 174.518 0.004 1 1825 168 163 ILE CA C 60.677 0.034 1 1826 168 163 ILE CB C 41.027 0.074 1 1827 168 163 ILE CD1 C 13.373 0.073 1 1828 168 163 ILE CG1 C 26.852 0.053 1 1829 168 163 ILE CG2 C 17.055 0.050 1 1830 168 163 ILE N N 126.345 0.006 1 1831 169 164 ASP H H 8.805 0.001 1 1832 169 164 ASP HA H 4.967 0.006 1 1833 169 164 ASP HB2 H 2.446 0.011 2 1834 169 164 ASP HB3 H 3.045 0.007 2 1835 169 164 ASP C C 177.437 0.030 1 1836 169 164 ASP CA C 53.302 0.013 1 1837 169 164 ASP CB C 41.330 0.048 1 1838 169 164 ASP N N 126.250 0.007 1 1839 170 165 LEU H H 8.774 0.001 1 1840 170 165 LEU HA H 4.430 0.009 1 1841 170 165 LEU HB2 H 1.372 0.015 2 1842 170 165 LEU HB3 H 1.814 0.015 2 1843 170 165 LEU HD1 H 0.891 0.010 2 1844 170 165 LEU HD2 H 0.944 0.011 2 1845 170 165 LEU HG H 1.709 0.012 1 1846 170 165 LEU C C 177.520 0.015 1 1847 170 165 LEU CA C 54.860 0.055 1 1848 170 165 LEU CB C 42.342 0.068 1 1849 170 165 LEU CD1 C 23.923 0.064 2 1850 170 165 LEU CD2 C 26.594 0.034 2 1851 170 165 LEU CG C 27.697 0.023 1 1852 170 165 LEU N N 128.020 0.007 1 1853 171 166 THR H H 9.017 0.002 1 1854 171 166 THR HA H 3.733 0.005 1 1855 171 166 THR HB H 4.171 0.006 1 1856 171 166 THR HG2 H 1.625 0.004 1 1857 171 166 THR C C 175.513 0.006 1 1858 171 166 THR CA C 66.360 0.036 1 1859 171 166 THR CB C 69.468 0.106 1 1860 171 166 THR CG2 C 23.274 0.022 1 1861 171 166 THR N N 112.108 0.030 1 1862 172 167 ASN H H 7.995 0.001 1 1863 172 167 ASN HA H 4.990 0.008 1 1864 172 167 ASN HB2 H 2.653 0.002 2 1865 172 167 ASN HB3 H 2.836 0.007 2 1866 172 167 ASN HD21 H 7.459 0.002 2 1867 172 167 ASN HD22 H 6.773 0.001 2 1868 172 167 ASN C C 174.205 0.001 1 1869 172 167 ASN CA C 52.136 0.008 1 1870 172 167 ASN CB C 38.925 0.026 1 1871 172 167 ASN CG C 177.879 0.009 1 1872 172 167 ASN N N 118.227 0.023 1 1873 172 167 ASN ND2 N 112.252 0.000 1 1874 173 168 ALA H H 7.510 0.001 1 1875 173 168 ALA HA H 4.575 0.005 1 1876 173 168 ALA HB H 1.338 0.006 1 1877 173 168 ALA C C 175.795 0.003 1 1878 173 168 ALA CA C 50.046 0.009 1 1879 173 168 ALA CB C 21.299 0.048 1 1880 173 168 ALA N N 123.595 0.014 1 1881 174 169 ASN H H 8.251 0.001 1 1882 174 169 ASN HA H 4.399 0.005 1 1883 174 169 ASN HB2 H 2.678 0.000 2 1884 174 169 ASN HB3 H 2.760 0.000 2 1885 174 169 ASN HD21 H 7.561 0.001 2 1886 174 169 ASN HD22 H 6.810 0.002 2 1887 174 169 ASN C C 174.583 0.005 1 1888 174 169 ASN CA C 53.693 0.027 1 1889 174 169 ASN CB C 37.348 0.012 1 1890 174 169 ASN CG C 176.883 0.017 1 1891 174 169 ASN N N 118.241 0.013 1 1892 174 169 ASN ND2 N 111.373 0.000 1 1893 175 170 ARG H H 8.330 0.002 1 1894 175 170 ARG HA H 2.539 0.008 1 1895 175 170 ARG HB2 H 1.381 0.008 2 1896 175 170 ARG HB3 H 1.552 0.006 2 1897 175 170 ARG HD2 H 3.114 0.011 2 1898 175 170 ARG HD3 H 3.084 0.010 2 1899 175 170 ARG HE H 7.594 0.001 1 1900 175 170 ARG HG2 H 1.175 0.009 2 1901 175 170 ARG HG3 H 1.437 0.014 2 1902 175 170 ARG C C 174.901 0.015 1 1903 175 170 ARG CA C 53.668 0.011 1 1904 175 170 ARG CB C 32.587 0.019 1 1905 175 170 ARG CD C 45.322 0.053 1 1906 175 170 ARG CG C 25.809 0.056 1 1907 175 170 ARG CZ C 160.090 . 1 1908 175 170 ARG N N 123.266 0.052 1 1909 175 170 ARG NE N 86.781 0.006 1 1910 176 171 CYS H H 8.456 0.002 1 1911 176 171 CYS HA H 4.044 0.009 1 1912 176 171 CYS HB2 H 2.831 0.008 2 1913 176 171 CYS HB3 H 2.972 0.012 2 1914 176 171 CYS C C 175.931 0.005 1 1915 176 171 CYS CA C 57.567 0.004 1 1916 176 171 CYS CB C 39.630 0.052 1 1917 176 171 CYS N N 111.313 0.015 1 1918 177 172 LEU H H 7.965 0.001 1 1919 177 172 LEU HA H 3.699 0.006 1 1920 177 172 LEU HB2 H 1.738 0.008 2 1921 177 172 LEU HB3 H 1.462 0.005 2 1922 177 172 LEU HD1 H 0.904 0.005 2 1923 177 172 LEU HD2 H 0.968 0.007 2 1924 177 172 LEU HG H 1.709 0.008 1 1925 177 172 LEU C C 180.470 0.008 1 1926 177 172 LEU CA C 58.414 0.023 1 1927 177 172 LEU CB C 40.519 0.049 1 1928 177 172 LEU CD1 C 25.647 0.014 2 1929 177 172 LEU CD2 C 22.489 0.048 2 1930 177 172 LEU CG C 27.519 0.007 1 1931 177 172 LEU N N 115.784 0.014 1 1932 178 173 GLU H H 9.003 0.001 1 1933 178 173 GLU HA H 4.084 0.006 1 1934 178 173 GLU HB2 H 1.910 0.000 2 1935 178 173 GLU HB3 H 2.024 0.019 2 1936 178 173 GLU HG2 H 2.172 0.018 2 1937 178 173 GLU HG3 H 2.237 0.013 2 1938 178 173 GLU C C 176.306 0.016 1 1939 178 173 GLU CA C 57.807 0.077 1 1940 178 173 GLU CB C 28.391 0.056 1 1941 178 173 GLU CG C 36.345 0.001 1 1942 178 173 GLU N N 115.338 0.012 1 1943 179 174 ALA H H 7.393 0.003 1 1944 179 174 ALA HA H 4.293 0.006 1 1945 179 174 ALA HB H 0.906 0.003 1 1946 179 174 ALA C C 176.838 0.005 1 1947 179 174 ALA CA C 51.678 0.025 1 1948 179 174 ALA CB C 19.241 0.020 1 1949 179 174 ALA N N 121.839 0.002 1 1950 180 175 ARG H H 6.813 0.001 1 1951 180 175 ARG HA H 4.234 0.014 1 1952 180 175 ARG HB2 H 1.567 0.011 2 1953 180 175 ARG HB3 H 2.110 0.005 2 1954 180 175 ARG HD2 H 3.199 0.009 2 1955 180 175 ARG HD3 H 3.743 0.013 2 1956 180 175 ARG HE H 7.411 0.001 1 1957 180 175 ARG HG2 H 1.850 0.001 2 1958 180 175 ARG HG3 H 1.407 0.008 2 1959 180 175 ARG C C 176.246 0.007 1 1960 180 175 ARG CA C 56.610 0.048 1 1961 180 175 ARG CB C 32.300 0.050 1 1962 180 175 ARG CD C 44.144 0.051 1 1963 180 175 ARG CG C 28.268 0.014 1 1964 180 175 ARG CZ C 158.182 . 1 1965 180 175 ARG N N 118.082 0.007 1 1966 180 175 ARG NE N 81.887 0.003 1 1967 181 176 GLU H H 8.589 0.002 1 1968 181 176 GLU HA H 4.031 0.007 1 1969 181 176 GLU HB2 H 2.075 0.009 2 1970 181 176 GLU HB3 H 1.973 0.004 2 1971 181 176 GLU HG2 H 2.341 0.008 2 1972 181 176 GLU HG3 H 2.313 0.005 2 1973 181 176 GLU C C 181.801 . 1 1974 181 176 GLU CA C 58.575 0.031 1 1975 181 176 GLU CB C 30.739 0.036 1 1976 181 176 GLU CG C 37.096 0.009 1 1977 181 176 GLU N N 127.362 0.008 1 stop_ save_